#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i04 s ARG 3 N 0.00 3.56 0.14 -0.52 0.52 -1.26 -4.99 118.95 116.39 3i04 s ARG 3 Ca 0.00 -0.54 -0.02 0.00 -0.52 0.00 0.00 55.73 54.65 3i04 s ARG 3 Cb 0.00 -3.10 -0.05 0.00 0.52 0.00 0.00 34.95 32.33 3i04 s ARG 3 CO 0.00 -0.08 0.33 -0.06 0.02 0.00 0.00 175.30 175.52 3i04 s PHE 4 N 1.23 3.49 0.23 -0.53 0.40 -1.26 -5.01 117.98 116.52 3i04 s PHE 4 Ca 0.03 0.38 -0.07 0.00 -0.60 0.00 0.00 56.93 56.68 3i04 s PHE 4 Cb -0.15 -1.87 0.20 0.00 0.51 0.00 0.00 43.02 41.72 3i04 s PHE 4 CO 0.01 0.46 1.83 -0.09 0.70 0.00 0.00 175.22 178.13 3i04 h ARG 5 N 2.58 1.22 -5.96 0.44 2.43 -1.93 -3.33 114.38 109.83 3i04 h ARG 5 Ca -0.46 -0.18 -0.46 0.00 -0.81 0.00 0.00 59.98 58.07 3i04 h ARG 5 Cb 1.17 -0.22 -0.07 0.00 -0.42 0.00 0.00 29.97 30.43 3i04 h ARG 5 CO 0.72 0.93 1.13 0.34 -1.51 0.00 0.00 179.97 181.58 3i04 s ASP 6 N -6.30 5.81 0.63 -3.80 -1.08 -1.26 -4.85 116.67 105.82 3i04 s ASP 6 Ca -0.12 -0.91 0.25 0.00 -0.52 0.00 0.00 52.55 51.25 3i04 s ASP 6 Cb 0.16 -2.56 1.26 0.00 -1.46 0.00 0.00 42.92 40.33 3i04 s ASP 6 CO 0.83 -2.12 1.71 -0.07 0.52 0.00 0.00 175.17 176.05 3i04 h LEU 7 N 15.21 0.00 -0.02 -1.34 3.38 -2.02 0.57 115.31 131.09 3i04 h LEU 7 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i04 h LEU 7 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 3i04 h LEU 7 CO 1.31 0.00 -0.07 -1.54 0.09 0.00 0.00 178.44 178.23 3i04 n SER 8 N -3.15 0.10 -4.47 -0.43 3.41 -1.26 -4.69 113.62 103.13 3i04 n SER 8 Ca 0.05 0.19 -0.43 0.00 -0.26 0.00 0.00 58.87 58.42 3i04 n SER 8 Cb 0.70 -0.33 -0.08 0.00 -0.26 0.00 0.00 64.21 64.24 3i04 n SER 8 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 3i04 s HIS 9 N -2.87 3.15 0.00 7.33 5.65 0.20 -5.03 115.29 123.72 3i04 s HIS 9 Ca 0.18 -0.43 0.00 0.00 0.25 0.00 0.00 55.06 55.06 3i04 s HIS 9 Cb 0.19 -3.05 0.00 0.00 -1.18 0.00 0.00 32.58 28.54 3i04 s HIS 9 CO 0.53 -0.77 0.00 0.27 -0.65 0.00 0.00 174.74 174.12 3i04 n ASN 10 N 5.70 1.33 -0.01 9.88 0.23 -1.26 -4.55 115.26 126.57 3i04 n ASN 10 Ca -0.07 -0.21 0.12 0.00 -0.53 0.00 0.00 54.58 53.88 3i04 n ASN 10 Cb 0.47 0.00 0.20 0.00 -2.08 0.00 0.00 39.78 38.37 3i04 n ASN 10 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i04 s ARG 12 N -2.98 3.53 0.88 0.00 0.52 -1.26 -4.62 118.95 115.02 3i04 s ARG 12 Ca 0.11 -0.26 -0.11 0.00 -0.52 0.00 0.00 55.73 54.95 3i04 s ARG 12 Cb 0.17 -2.95 0.12 0.00 0.52 0.00 0.00 34.95 32.82 3i04 s ARG 12 CO 0.72 0.54 1.09 -1.25 0.02 0.00 0.00 175.30 176.42 3i04 s PRO 13 N -2.56 1.37 1.00 3.54 0.04 -1.24 -4.97 135.00 132.18 3i04 s PRO 13 Ca 0.38 0.93 -0.17 0.00 0.04 0.00 0.00 61.00 62.17 3i04 s PRO 13 Cb -0.13 -1.81 0.26 0.00 0.04 0.00 0.00 34.50 32.86 3i04 s PRO 13 CO 0.26 -2.20 0.66 -1.13 0.04 0.00 0.00 177.00 174.63 3i04 n SER 14 N -3.87 -3.08 -0.91 6.66 3.41 -1.26 -4.94 113.62 109.63 3i04 n SER 14 Ca 0.07 -0.72 0.07 0.00 -0.26 0.00 0.00 58.87 58.03 3i04 n SER 14 Cb 0.55 -0.71 0.21 0.00 -0.26 0.00 0.00 64.21 63.99 3i04 n SER 14 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 3i04 n GLU 15 N -4.49 2.23 -1.53 4.33 -0.58 -1.26 -4.96 120.64 114.38 3i04 n GLU 15 Ca 0.10 -1.68 -0.40 0.00 -0.42 0.00 0.00 57.16 54.77 3i04 n GLU 15 Cb 0.42 -1.44 0.03 0.00 -0.57 0.00 0.00 31.44 29.88 3i04 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i04 n ALA 16 N 0.77 -0.60 -1.96 0.62 0.00 -1.26 -4.89 120.51 113.20 3i04 n ALA 16 Ca 0.15 0.10 -0.41 0.00 0.00 0.00 0.00 53.44 53.28 3i04 n ALA 16 Cb 0.44 -1.94 -0.03 0.00 0.00 0.00 0.00 19.45 17.92 3i04 n ALA 16 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3i04 s PRO 17 N -2.06 4.42 0.28 0.00 0.02 -1.26 -4.93 135.00 131.45 3i04 s PRO 17 Ca 0.67 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.71 3i04 s PRO 17 Cb -0.51 -3.18 0.39 0.00 0.02 0.00 0.00 34.50 31.21 3i04 s PRO 17 CO 0.55 -0.19 1.82 0.00 -0.33 0.00 0.00 177.00 178.85 3i04 h ARG 18 N 4.95 0.84 -5.11 5.54 2.47 -1.95 -3.40 114.38 117.71 3i04 h ARG 18 Ca -0.45 -0.17 -0.66 0.00 -1.26 0.00 0.00 59.98 57.44 3i04 h ARG 18 Cb 1.22 -0.12 -0.27 0.00 -1.65 0.00 0.00 29.97 29.14 3i04 h ARG 18 CO 0.74 0.76 -0.74 0.08 0.56 0.00 0.00 179.97 181.37 3i04 s VAL 19 N -5.20 3.24 0.07 2.04 1.01 -1.26 -4.51 120.40 115.79 3i04 s VAL 19 Ca -0.10 -0.56 -0.30 0.00 0.00 0.00 0.00 61.98 61.02 3i04 s VAL 19 Cb 0.15 -2.43 -0.05 0.00 0.00 0.00 0.00 36.38 34.05 3i04 s VAL 19 CO 0.80 0.46 1.13 -0.04 0.00 0.00 0.00 175.10 177.46 3i04 s MET 20 N 1.06 4.49 -0.60 2.72 -1.94 -0.35 -4.50 119.30 120.17 3i04 s MET 20 Ca 0.00 1.68 -0.02 0.00 -1.71 0.00 0.00 55.69 55.65 3i04 s MET 20 Cb -0.15 -3.36 0.00 0.00 2.01 0.00 0.00 34.83 33.34 3i04 s MET 20 CO -0.01 -0.15 0.45 0.39 -0.01 0.00 0.00 175.02 175.69 3i04 n GLU 21 N 3.63 -1.17 0.27 2.03 1.02 -1.26 -4.77 120.64 120.39 3i04 n GLU 21 Ca 0.07 0.58 0.08 0.00 -0.02 0.00 0.00 57.16 57.87 3i04 n GLU 21 Cb 0.47 -1.64 0.43 0.00 -0.02 0.00 0.00 31.44 30.68 3i04 n GLU 21 CO 0.00 0.00 0.00 -1.35 1.18 0.00 0.00 177.13 176.96 3i04 h PRO 22 N 0.12 0.00 -0.01 3.49 0.11 -1.96 -0.93 132.00 132.81 3i04 h PRO 22 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 3i04 h PRO 22 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 3i04 h PRO 22 CO 0.27 0.00 -0.15 1.63 -0.21 0.00 0.00 178.00 179.54 3i04 n LYS 23 N -2.45 1.45 -3.30 1.05 4.76 -1.26 -4.65 118.16 113.77 3i04 n LYS 23 Ca -0.01 -0.97 -0.41 0.00 -2.87 0.00 0.00 58.31 54.06 3i04 n LYS 23 Cb 0.53 -1.21 -0.08 0.00 -1.84 0.00 0.00 35.03 32.43 3i04 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i04 s ASN 24 N -1.40 6.29 0.41 4.39 3.84 -0.36 -4.95 114.94 123.17 3i04 s ASN 24 Ca 0.13 0.08 0.25 0.00 0.21 0.00 0.00 52.86 53.53 3i04 s ASN 24 Cb 0.11 -2.24 0.62 0.00 -0.55 0.00 0.00 41.25 39.19 3i04 s ASN 24 CO 0.26 -0.37 1.71 0.08 -2.79 0.00 0.00 177.10 175.99 3i04 h ARG 25 N 8.34 0.00 -2.17 0.43 0.11 -1.87 -3.36 114.38 115.86 3i04 h ARG 25 Ca -0.29 0.00 -0.34 0.00 0.10 0.00 0.00 59.98 59.45 3i04 h ARG 25 Cb 1.14 0.00 -0.08 0.00 1.11 0.00 0.00 29.97 32.14 3i04 h ARG 25 CO 0.72 0.00 0.49 -0.25 0.10 0.00 0.00 179.97 181.03 3i04 n ASP 26 N -2.91 6.11 -3.80 0.08 8.00 -1.26 -4.73 116.55 118.03 3i04 n ASP 26 Ca 0.04 -2.66 -0.42 0.00 0.71 0.00 0.00 54.79 52.45 3i04 n ASP 26 Cb 0.46 -1.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.17 3i04 n ASP 26 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i04 n ARG 27 N 2.30 4.01 -3.55 -1.24 1.85 -1.26 -4.85 116.66 113.92 3i04 n ARG 27 Ca 0.50 -3.71 -0.14 0.00 -1.00 0.00 0.00 57.85 53.51 3i04 n ARG 27 Cb 0.72 -2.79 -0.05 0.00 -1.05 0.00 0.00 32.46 29.29 3i04 n ARG 27 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i04 s THR 28 N -0.58 0.00 -0.84 8.89 -1.32 -1.26 -0.44 115.64 120.08 3i04 s THR 28 Ca 0.41 0.00 0.11 0.00 -1.21 0.00 0.00 61.69 61.00 3i04 s THR 28 Cb 0.11 -1.00 0.33 0.00 -1.51 0.00 0.00 72.50 70.43 3i04 s THR 28 CO -0.00 0.00 1.27 1.33 -2.21 0.00 0.00 174.62 175.01 3i04 n VAL 29 N 0.78 1.14 -2.89 5.08 0.24 -0.62 -4.82 118.33 117.23 3i04 n VAL 29 Ca -0.14 -1.10 -0.42 0.00 -2.04 0.00 0.00 64.34 60.64 3i04 n VAL 29 Cb 0.58 0.42 -0.05 0.00 -1.47 0.00 0.00 33.84 33.32 3i04 n VAL 29 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3i04 s ASP 30 N -1.10 6.63 0.46 -1.34 -1.08 -1.26 -4.94 116.67 114.04 3i04 s ASP 30 Ca 0.25 0.51 0.24 0.00 -0.52 0.00 0.00 52.55 53.04 3i04 s ASP 30 Cb 0.14 -2.43 1.07 0.00 -1.46 0.00 0.00 42.92 40.25 3i04 s ASP 30 CO 0.15 -0.76 1.90 1.55 0.52 0.00 0.00 175.17 178.53 3i04 h PRO 31 N 8.39 0.00 -0.09 4.34 0.13 -1.98 -0.30 132.00 142.50 3i04 h PRO 31 Ca -0.24 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.82 3i04 h PRO 31 Cb 1.09 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i04 h PRO 31 CO 0.93 0.21 -0.28 0.00 -0.23 0.00 0.00 178.00 178.63 3i04 h ALA 32 N 1.79 1.36 -0.09 -0.56 0.00 -1.94 -2.25 119.26 117.57 3i04 h ALA 32 Ca -0.00 -0.30 -0.15 0.00 0.00 0.00 0.00 54.91 54.45 3i04 h ALA 32 Cb 0.62 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.35 3i04 h ALA 32 CO 0.03 0.45 -0.54 0.28 0.00 0.00 0.00 179.25 179.46 3i04 h VAL 33 N 0.15 1.36 -0.47 0.00 2.07 -1.48 -1.33 116.25 116.54 3i04 h VAL 33 Ca 0.02 -1.87 0.10 0.00 0.82 0.00 0.00 66.70 65.77 3i04 h VAL 33 Cb 0.58 2.22 -0.09 0.00 -1.52 0.00 0.00 31.29 32.48 3i04 h VAL 33 CO 0.04 0.56 -0.14 -0.07 0.02 0.00 0.00 177.57 177.98 3i04 h LEU 34 N 0.13 -0.52 -0.62 2.57 3.38 -1.32 0.78 115.31 119.72 3i04 h LEU 34 Ca -0.04 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.08 3i04 h LEU 34 Cb 1.19 0.32 -0.03 0.00 0.09 0.00 0.00 40.66 42.23 3i04 h LEU 34 CO 0.11 -0.18 0.41 -0.33 0.09 0.00 0.00 178.44 178.54 3i04 h GLU 35 N -0.03 0.81 -0.17 1.13 5.08 -1.30 -3.02 114.58 117.08 3i04 h GLU 35 Ca 0.23 -0.05 -0.13 0.00 -1.00 0.00 0.00 59.36 58.41 3i04 h GLU 35 Cb 0.38 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 3i04 h GLU 35 CO -0.50 0.54 -0.46 0.52 -1.00 0.00 0.00 179.01 178.11 3i04 h MET 36 N 0.84 0.42 0.00 2.33 2.86 -0.44 -2.54 114.93 118.39 3i04 h MET 36 Ca 0.23 -0.22 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i04 h MET 36 Cb -0.09 0.01 0.00 0.00 0.06 0.00 0.00 31.60 31.58 3i04 h MET 36 CO -0.05 0.79 0.00 -0.07 1.06 0.00 0.00 176.91 178.64 3i04 h LEU 37 N 0.34 0.00 0.11 1.22 3.38 -0.76 0.28 115.31 119.87 3i04 h LEU 37 Ca 0.02 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 3i04 h LEU 37 Cb 0.94 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.69 3i04 h LEU 37 CO 0.08 0.00 -0.05 0.58 0.09 0.00 0.00 178.44 179.14 3i04 h VAL 38 N 0.00 1.06 -0.47 1.22 2.07 -1.35 -2.75 116.25 116.03 3i04 h VAL 38 Ca 0.00 -0.65 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 3i04 h VAL 38 Cb 0.30 1.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.51 3i04 h VAL 38 CO 0.00 0.16 0.23 0.50 0.02 0.00 0.00 177.57 178.48 3i04 h LYS 39 N -0.44 0.67 -0.82 1.57 3.64 -1.27 -1.74 116.57 118.17 3i04 h LYS 39 Ca -0.01 -0.10 -0.01 0.00 -1.27 0.00 0.00 60.65 59.26 3i04 h LYS 39 Cb 0.37 -0.12 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 3i04 h LYS 39 CO 0.02 0.56 0.46 0.66 -2.27 0.00 0.00 179.45 178.89 3i04 h SER 40 N 0.61 1.02 -0.23 4.20 4.64 -0.57 0.17 113.55 123.39 3i04 h SER 40 Ca 0.16 -0.09 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 3i04 h SER 40 Cb 0.11 -0.26 -0.01 0.00 -0.31 0.00 0.00 62.40 61.93 3i04 h SER 40 CO -0.02 0.81 0.15 0.50 -0.87 0.00 0.00 176.83 177.40 3i04 h LYS 41 N 1.14 0.30 -0.91 4.77 3.64 -1.34 -0.41 116.57 123.75 3i04 h LYS 41 Ca 0.29 -0.02 0.14 0.00 -1.27 0.00 0.00 60.65 59.80 3i04 h LYS 41 Cb 0.01 -0.07 -0.09 0.00 -0.41 0.00 0.00 32.23 31.67 3i04 h LYS 41 CO -0.05 0.20 0.52 -0.44 -2.27 0.00 0.00 179.45 177.41 3i04 h ASP 42 N 0.31 0.69 0.81 4.20 3.32 -0.71 -1.99 116.42 123.05 3i04 h ASP 42 Ca 0.08 0.08 0.00 0.00 0.02 0.00 0.00 57.03 57.21 3i04 h ASP 42 Cb -0.03 -0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.47 3i04 h ASP 42 CO -0.02 0.32 -0.06 0.47 -1.72 0.00 0.00 179.24 178.23 3i04 n ASP 43 N -4.77 0.09 -2.58 6.45 8.00 -0.01 -4.93 116.55 118.80 3i04 n ASP 43 Ca 0.18 0.21 -0.17 0.00 0.71 0.00 0.00 54.79 55.72 3i04 n ASP 43 Cb 0.42 -0.34 0.05 0.00 -0.02 0.00 0.00 41.12 41.23 3i04 n ASP 43 CO 0.00 0.00 0.00 0.29 -0.39 0.00 0.00 177.20 177.10 3i04 n LYS 44 N -1.41 -4.94 -3.60 -1.24 5.02 -0.37 -5.01 118.16 106.62 3i04 n LYS 44 Ca 0.09 0.64 -0.37 0.00 -2.02 0.00 0.00 58.31 56.65 3i04 n LYS 44 Cb 0.31 -5.02 -0.07 0.00 -0.02 0.00 0.00 35.03 30.24 3i04 n LYS 44 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i04 s VAL 45 N -3.14 5.27 -0.07 -0.18 1.01 -0.31 -5.03 120.40 117.96 3i04 s VAL 45 Ca 0.35 0.56 -0.21 0.00 0.00 0.00 0.00 61.98 62.68 3i04 s VAL 45 Cb -0.15 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 3i04 s VAL 45 CO 0.43 0.48 0.59 -0.63 0.00 0.00 0.00 175.10 175.97 3i04 s ILE 46 N -0.23 5.06 0.38 2.22 1.01 -1.26 -4.52 121.20 123.86 3i04 s ILE 46 Ca 0.18 1.21 0.05 0.00 0.00 0.00 0.00 60.65 62.09 3i04 s ILE 46 Cb -0.14 -3.93 -0.06 0.00 0.01 0.00 0.00 42.46 38.34 3i04 s ILE 46 CO 0.06 0.33 0.04 0.42 0.00 0.00 0.00 174.94 175.80 3i04 s THR 47 N 0.44 1.38 0.50 2.92 -4.23 -1.26 -4.89 115.64 110.50 3i04 s THR 47 Ca 0.32 -2.00 0.33 0.00 -1.18 0.00 0.00 61.69 59.15 3i04 s THR 47 Cb -0.17 -2.74 0.52 0.00 1.34 0.00 0.00 72.50 71.45 3i04 s THR 47 CO 0.15 0.00 1.75 0.00 -0.54 0.00 0.00 174.62 175.99 3i04 h ALA 48 N 1.88 2.93 -0.51 3.99 0.00 -1.98 -1.67 119.26 123.90 3i04 h ALA 48 Ca -0.42 -0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3i04 h ALA 48 Cb 1.25 0.09 -0.02 0.00 0.00 0.00 0.00 17.79 19.12 3i04 h ALA 48 CO 0.72 -1.34 0.04 0.74 0.00 0.00 0.00 179.25 179.41 3i04 h PHE 49 N 0.11 0.94 -0.12 0.00 -1.00 -1.88 0.11 116.94 115.10 3i04 h PHE 49 Ca 0.64 -0.15 -0.23 0.00 2.81 0.00 0.00 57.97 61.04 3i04 h PHE 49 Cb 2.25 -0.25 0.01 0.00 3.61 0.00 0.00 35.95 41.57 3i04 h PHE 49 CO -0.00 0.87 -0.82 -0.44 -1.61 0.00 0.00 178.31 176.30 3i04 h ASP 50 N 0.75 0.92 -0.87 2.17 3.32 -1.72 -3.06 116.42 117.92 3i04 h ASP 50 Ca 0.15 -0.63 -0.02 0.00 0.02 0.00 0.00 57.03 56.55 3i04 h ASP 50 Cb 0.47 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 3i04 h ASP 50 CO 0.02 1.43 0.46 0.03 -1.72 0.00 0.00 179.24 179.45 3i04 h ARG 51 N 0.51 1.23 -0.24 3.56 3.08 -1.24 -2.25 114.38 119.03 3i04 h ARG 51 Ca -0.07 -0.16 0.03 0.00 0.07 0.00 0.00 59.98 59.86 3i04 h ARG 51 Cb 1.46 -0.23 -0.03 0.00 0.08 0.00 0.00 29.97 31.24 3i04 h ARG 51 CO 0.17 0.91 0.06 0.35 -1.07 0.00 0.00 179.97 180.38 3i04 h PHE 52 N 1.22 0.10 -0.24 3.04 3.57 -0.70 -2.49 116.94 121.43 3i04 h PHE 52 Ca 0.30 0.01 0.05 0.00 3.53 0.00 0.00 57.97 61.87 3i04 h PHE 52 Cb 0.06 -0.01 -0.05 0.00 2.79 0.00 0.00 35.95 38.74 3i04 h PHE 52 CO 0.01 0.03 -0.09 0.28 -2.23 0.00 0.00 178.31 176.32 3i04 h VAL 53 N 0.15 0.70 0.00 1.41 2.07 -1.43 -2.52 116.25 116.64 3i04 h VAL 53 Ca 0.11 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.63 3i04 h VAL 53 Cb 0.10 0.70 -0.00 0.00 -1.52 0.00 0.00 31.29 30.57 3i04 h VAL 53 CO -0.14 0.00 -0.02 0.00 0.02 0.00 0.00 177.57 177.44 3i04 h ALA 54 N 1.18 1.46 0.00 1.67 0.00 -1.28 -1.86 119.26 120.43 3i04 h ALA 54 Ca 0.12 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 54 Cb 0.22 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i04 h ALA 54 CO -0.27 0.02 0.00 1.04 0.00 0.00 0.00 179.25 180.04 3i04 n GLN 55 N -3.77 0.10 -2.84 0.00 1.13 -0.95 -4.91 117.38 106.14 3i04 n GLN 55 Ca -0.03 0.10 -0.37 0.00 -1.94 0.00 0.00 57.00 54.76 3i04 n GLN 55 Cb 0.10 -1.62 -0.06 0.00 0.11 0.00 0.00 30.24 28.77 3i04 n GLN 55 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i04 s GLN 56 N -3.04 4.53 0.39 -1.09 -1.52 -0.70 -3.40 119.66 114.83 3i04 s GLN 56 Ca 0.12 1.25 -0.21 0.00 -1.95 0.00 0.00 55.36 54.57 3i04 s GLN 56 Cb 0.16 -2.84 -0.10 0.00 -0.22 0.00 0.00 33.01 30.01 3i04 s GLN 56 CO 0.54 0.31 0.91 -1.25 -0.25 0.00 0.00 175.29 175.55 3i04 s PRO 57 N -1.99 4.25 0.19 2.91 0.04 -1.26 -5.08 135.00 134.05 3i04 s PRO 57 Ca 0.48 1.07 -0.12 0.00 0.04 0.00 0.00 61.00 62.48 3i04 s PRO 57 Cb -0.19 -2.33 -0.07 0.00 0.04 0.00 0.00 34.50 31.95 3i04 s PRO 57 CO 0.24 0.06 0.55 -0.65 0.04 0.00 0.00 177.00 177.23 3i04 s GLN 58 N -2.94 3.88 -0.38 4.56 -0.21 -1.22 -4.98 119.66 118.36 3i04 s GLN 58 Ca 0.58 0.37 -0.40 0.00 0.02 0.00 0.00 55.36 55.93 3i04 s GLN 58 Cb -0.11 -2.77 -0.15 0.00 1.00 0.00 0.00 33.01 30.98 3i04 s GLN 58 CO 0.16 0.39 2.02 0.00 -2.12 0.00 0.00 175.29 175.73 3i04 h LYS 60 N 9.61 0.42 0.42 0.00 3.64 -1.98 -0.74 116.57 127.94 3i04 h LYS 60 Ca -0.29 -0.18 -0.02 0.00 -1.27 0.00 0.00 60.65 58.89 3i04 h LYS 60 Cb 1.35 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 33.16 3i04 h LYS 60 CO 1.02 0.71 -0.20 0.82 -2.27 0.00 0.00 179.45 179.53 3i04 h ILE 61 N 0.36 0.59 -0.37 2.00 2.04 -1.98 -1.23 117.51 118.92 3i04 h ILE 61 Ca 0.04 -0.17 -0.03 0.00 1.00 0.00 0.00 64.86 65.70 3i04 h ILE 61 Cb 0.77 0.67 -0.02 0.00 -0.74 0.00 0.00 36.82 37.51 3i04 h ILE 61 CO 0.06 0.03 0.08 1.23 0.00 0.00 0.00 178.15 179.55 3i04 h GLY 62 N -0.66 0.58 2.00 5.37 0.00 -1.92 -2.57 103.07 105.87 3i04 h GLY 62 Ca -0.06 -0.30 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3i04 h GLY 62 CO 0.09 0.28 -0.27 -1.82 0.00 0.00 0.00 176.54 174.83 3i04 h TYR 63 N 0.53 0.00 -0.10 5.60 3.20 -0.87 -2.52 116.97 122.80 3i04 h TYR 63 Ca 0.12 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.99 3i04 h TYR 63 Cb 0.22 0.00 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3i04 h TYR 63 CO 0.01 0.27 0.00 0.39 -1.64 0.00 0.00 178.16 177.19 3i04 n GLU 64 N -3.79 2.00 -0.34 1.82 1.02 -0.49 -4.15 120.64 116.71 3i04 n GLU 64 Ca -0.01 -1.47 0.00 0.00 -0.02 0.00 0.00 57.16 55.66 3i04 n GLU 64 Cb 0.37 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 30.32 3i04 n GLU 64 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 65 N 1.27 0.75 0.71 0.62 0.00 -0.95 -0.56 105.19 107.03 3i04 n GLY 65 Ca 0.17 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.25 3i04 n GLY 65 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 3i04 n ILE 66 N -2.17 1.24 -3.70 -0.61 -5.35 -1.12 -2.90 119.36 104.74 3i04 n ILE 66 Ca 0.00 -1.16 -0.37 0.00 -0.27 0.00 0.00 62.75 60.96 3i04 n ILE 66 Cb 0.00 0.36 -0.10 0.00 -1.74 0.00 0.00 39.64 38.16 3i04 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i04 n ARG 69 N 3.25 2.19 0.00 0.00 1.74 -1.26 -1.51 116.66 121.07 3i04 n ARG 69 Ca -0.18 -3.63 0.14 0.00 -0.77 0.00 0.00 57.85 53.41 3i04 n ARG 69 Cb 0.53 -1.73 0.63 0.00 -1.02 0.00 0.00 32.46 30.87 3i04 n ARG 69 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 3i04 n PHE 70 N -0.59 0.00 -3.91 -1.55 3.01 -1.26 -4.89 117.46 108.26 3i04 n PHE 70 Ca 0.18 0.00 -0.10 0.00 1.01 0.00 0.00 57.45 58.54 3i04 n PHE 70 Cb 0.86 -0.45 -0.06 0.00 -0.01 0.00 0.00 39.48 39.82 3i04 n PHE 70 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 3i04 n MET 72 N -0.26 0.92 0.14 0.00 2.81 -1.26 -2.88 117.12 116.59 3i04 n MET 72 Ca -0.07 0.00 0.06 0.00 -1.81 0.00 0.00 57.70 55.88 3i04 n MET 72 Cb 0.63 -1.06 0.04 0.00 -0.71 0.00 0.00 33.22 32.12 3i04 n MET 72 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 3i04 h ALA 73 N 2.96 0.74 -3.06 3.04 0.00 -1.98 -3.47 119.26 117.49 3i04 h ALA 73 Ca 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3i04 h ALA 73 Cb 0.00 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 73 CO 0.00 0.39 0.00 0.41 0.00 0.00 0.00 179.25 180.05 3i04 n GLY 74 N 1.21 -0.45 3.77 0.00 0.00 -1.14 -4.85 105.19 103.72 3i04 n GLY 74 Ca 0.00 -1.71 -0.39 0.00 0.00 0.00 0.00 46.02 43.92 3i04 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i04 s PRO 75 N -0.77 3.78 0.07 1.61 0.02 -1.26 -5.08 135.00 133.37 3i04 s PRO 75 Ca 0.00 2.21 0.06 0.00 0.02 0.00 0.00 61.00 63.28 3i04 s PRO 75 Cb 0.00 -2.64 -0.04 0.00 0.02 0.00 0.00 34.50 31.84 3i04 s PRO 75 CO 0.00 -0.67 -0.08 0.00 -0.33 0.00 0.00 177.00 175.92 3i04 s ARG 77 N -2.00 0.86 -0.36 0.00 3.00 -1.26 -0.71 118.95 118.49 3i04 s ARG 77 Ca 0.21 -0.61 -0.29 0.00 0.00 0.00 0.00 55.73 55.03 3i04 s ARG 77 Cb -0.11 -0.83 0.01 0.00 0.00 0.00 0.00 34.95 34.01 3i04 s ARG 77 CO 0.13 0.21 1.31 0.42 0.00 0.00 0.00 175.30 177.37 3i04 s ILE 78 N -0.68 4.08 -0.09 1.52 -1.09 -0.66 -4.86 121.20 119.43 3i04 s ILE 78 Ca 0.01 1.18 0.21 0.00 -2.23 0.00 0.00 60.65 59.82 3i04 s ILE 78 Cb -0.07 -4.23 -0.31 0.00 -1.58 0.00 0.00 42.46 36.27 3i04 s ILE 78 CO 0.01 -0.63 0.35 0.29 -1.23 0.00 0.00 174.94 173.72 3i04 n LYS 79 N 7.61 0.67 -3.91 2.79 5.02 0.03 -5.00 118.16 125.38 3i04 n LYS 79 Ca 0.15 -0.13 -0.09 0.00 -2.02 0.00 0.00 58.31 56.21 3i04 n LYS 79 Cb 0.47 -1.52 -0.06 0.00 -0.02 0.00 0.00 35.03 33.90 3i04 n LYS 79 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i04 s ALA 80 N -3.17 -0.32 -0.76 7.82 0.00 -1.15 -4.98 121.76 119.20 3i04 s ALA 80 Ca -0.09 -0.70 0.26 0.00 0.00 0.00 0.00 51.96 51.44 3i04 s ALA 80 Cb 0.11 0.91 0.74 0.00 0.00 0.00 0.00 23.12 24.89 3i04 s ALA 80 CO 0.88 -0.74 1.67 -2.37 0.00 0.00 0.00 175.76 175.21 3i04 n THR 81 N -0.29 0.43 -3.85 0.00 5.66 -1.26 -3.93 114.28 111.04 3i04 n THR 81 Ca -0.07 -0.23 -0.08 0.00 -3.05 0.00 0.00 64.05 60.63 3i04 n THR 81 Cb 0.63 -0.42 -0.01 0.00 -1.55 0.00 0.00 70.33 68.97 3i04 n THR 81 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 3i04 s ASP 82 N -4.17 -0.15 0.00 1.09 1.47 -1.26 -4.92 116.67 108.72 3i04 s ASP 82 Ca 0.10 -0.81 0.00 0.00 1.18 0.00 0.00 52.55 53.02 3i04 s ASP 82 Cb 0.14 0.77 0.00 0.00 -0.34 0.00 0.00 42.92 43.48 3i04 s ASP 82 CO 0.62 -1.46 0.00 0.61 0.68 0.00 0.00 175.17 175.62 3i04 n GLY 83 N -0.48 -2.96 0.00 2.12 0.00 -1.26 -4.33 105.19 98.28 3i04 n GLY 83 Ca -0.05 -1.83 0.09 0.00 0.00 0.00 0.00 46.02 44.22 3i04 n GLY 83 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i04 n PRO 84 N -0.32 0.50 -0.16 1.61 -0.04 -1.26 -2.67 135.00 132.66 3i04 n PRO 84 Ca 0.00 0.02 0.06 0.00 -0.04 0.00 0.00 63.50 63.54 3i04 n PRO 84 Cb 0.00 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.11 3i04 n PRO 84 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i04 n GLY 85 N 0.10 2.29 0.14 0.55 0.00 -1.26 -4.55 105.19 102.46 3i04 n GLY 85 Ca 0.12 -0.40 0.12 0.00 0.00 0.00 0.00 46.02 45.86 3i04 n GLY 85 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i04 n SER 86 N 0.63 0.99 -4.43 1.61 3.41 -1.09 -0.79 113.62 113.96 3i04 n SER 86 Ca 0.12 -0.79 -0.21 0.00 -0.26 0.00 0.00 58.87 57.73 3i04 n SER 86 Cb 0.42 0.43 -0.10 0.00 -0.26 0.00 0.00 64.21 64.69 3i04 n SER 86 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 3i04 s ARG 87 N -2.78 1.56 0.92 4.33 0.52 -1.26 -4.28 118.95 117.95 3i04 s ARG 87 Ca 0.15 -1.80 -0.12 0.00 -0.52 0.00 0.00 55.73 53.44 3i04 s ARG 87 Cb 0.18 -1.09 0.14 0.00 0.52 0.00 0.00 34.95 34.70 3i04 s ARG 87 CO 0.67 0.00 1.12 0.20 0.02 0.00 0.00 175.30 177.31 3i04 s GLY 88 N -3.44 1.58 0.30 -3.53 0.00 -0.25 -4.86 107.32 97.12 3i04 s GLY 88 Ca 0.30 -0.43 0.05 0.00 0.00 0.00 0.00 44.72 44.65 3i04 s GLY 88 CO 0.12 0.13 1.79 -2.22 0.00 0.00 0.00 173.10 172.92 3i04 h ILE 89 N -1.57 0.75 0.00 0.90 2.04 -1.94 0.31 117.51 118.00 3i04 h ILE 89 Ca -0.51 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.07 3i04 h ILE 89 Cb 1.32 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 37.28 3i04 h ILE 89 CO 0.60 0.15 0.00 0.00 0.00 0.00 0.00 178.15 178.90 3i04 n GLY 91 N 0.63 0.62 3.71 0.00 0.00 0.11 -4.93 105.19 105.33 3i04 n GLY 91 Ca 0.11 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.70 3i04 n GLY 91 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 92 N -1.41 2.18 -1.75 4.61 0.00 -1.25 -4.59 120.51 118.30 3i04 n ALA 92 Ca 0.00 0.40 -0.31 0.00 0.00 0.00 0.00 53.44 53.53 3i04 n ALA 92 Cb 0.00 -2.43 0.03 0.00 0.00 0.00 0.00 19.45 17.06 3i04 n ALA 92 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 3i04 s SER 93 N 0.67 5.74 0.32 0.00 0.01 -1.26 -1.09 113.70 118.08 3i04 s SER 93 Ca 0.69 1.44 0.05 0.00 1.31 0.00 0.00 55.95 59.45 3i04 s SER 93 Cb -0.55 -2.39 0.70 0.00 0.21 0.00 0.00 66.02 63.99 3i04 s SER 93 CO 0.44 -1.19 1.85 0.00 0.41 0.00 0.00 173.24 174.75 3i04 h ALA 94 N -0.54 1.69 0.00 1.44 0.00 -1.94 -0.16 119.26 119.74 3i04 h ALA 94 Ca -0.44 0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3i04 h ALA 94 Cb 1.21 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i04 h ALA 94 CO 0.60 0.07 -0.25 0.11 0.00 0.00 0.00 179.25 179.78 3i04 h TRP 95 N 0.83 0.00 -0.06 0.00 0.09 -1.93 -1.62 115.95 113.27 3i04 h TRP 95 Ca 0.47 0.00 -0.13 0.00 0.09 0.00 0.00 58.89 59.32 3i04 h TRP 95 Cb 0.61 0.00 0.01 0.00 0.08 0.00 0.00 29.16 29.86 3i04 h TRP 95 CO -0.00 0.25 -0.46 1.15 0.09 0.00 0.00 178.44 179.46 3i04 h THR 96 N 0.00 1.41 -0.38 0.12 2.02 -1.37 -0.71 112.91 114.00 3i04 h THR 96 Ca -0.00 -1.88 -0.00 0.00 0.77 0.00 0.00 66.41 65.29 3i04 h THR 96 Cb 0.59 2.39 -0.02 0.00 -1.74 0.00 0.00 68.15 69.37 3i04 h THR 96 CO 0.03 0.55 0.22 0.40 0.37 0.00 0.00 175.52 177.09 3i04 h ILE 97 N -0.06 1.13 -0.71 3.11 2.04 -1.29 -0.10 117.51 121.63 3i04 h ILE 97 Ca -0.04 -0.33 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 3i04 h ILE 97 Cb 1.14 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 37.85 3i04 h ILE 97 CO 0.09 0.14 0.43 0.58 0.00 0.00 0.00 178.15 179.39 3i04 h VAL 98 N 0.49 1.20 -0.55 1.67 2.07 -1.16 -1.84 116.25 118.13 3i04 h VAL 98 Ca 0.13 -0.44 -0.11 0.00 0.82 0.00 0.00 66.70 67.10 3i04 h VAL 98 Cb 0.03 0.21 -0.02 0.00 -1.52 0.00 0.00 31.29 29.99 3i04 h VAL 98 CO -0.02 0.21 -0.08 0.00 0.02 0.00 0.00 177.57 177.70 3i04 h ALA 99 N 1.23 0.83 -0.51 1.67 0.00 -0.79 -1.73 119.26 119.96 3i04 h ALA 99 Ca 0.26 -0.34 0.05 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 99 Cb -0.04 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 17.51 3i04 h ALA 99 CO -0.05 0.66 0.24 0.00 0.00 0.00 0.00 179.25 180.11 3i04 h ARG 100 N 0.90 0.46 -0.02 0.00 3.08 -0.77 0.31 114.38 118.33 3i04 h ARG 100 Ca 0.15 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.15 3i04 h ARG 100 Cb 0.63 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.58 3i04 h ARG 100 CO 0.04 0.31 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.29 3i04 h ASN 101 N 0.48 0.08 -0.58 7.04 2.35 -0.98 0.65 115.58 124.62 3i04 h ASN 101 Ca 0.23 -0.58 -0.10 0.00 -0.55 0.00 0.00 56.30 55.30 3i04 h ASN 101 Cb 0.16 -0.02 -0.02 0.00 0.05 0.00 0.00 38.32 38.48 3i04 h ASN 101 CO -0.17 0.65 -0.01 1.62 -1.65 0.00 0.00 177.43 177.87 3i04 h VAL 102 N -0.48 1.27 -0.82 2.81 3.04 -1.41 -3.03 116.25 117.63 3i04 h VAL 102 Ca -0.00 -1.16 0.05 0.00 -1.01 0.00 0.00 66.70 64.58 3i04 h VAL 102 Cb 0.64 0.85 -0.05 0.00 -2.01 0.00 0.00 31.29 30.73 3i04 h VAL 102 CO 0.01 0.42 0.54 1.23 -1.01 0.00 0.00 177.57 178.75 3i04 h GLY 103 N 0.92 1.15 0.88 3.17 0.00 -0.92 -0.70 103.07 107.57 3i04 h GLY 103 Ca 0.16 -0.38 0.03 0.00 0.00 0.00 0.00 47.33 47.14 3i04 h GLY 103 CO 0.03 0.31 0.38 -2.00 0.00 0.00 0.00 176.54 175.26 3i04 h LEU 104 N 0.96 0.62 0.06 3.11 7.12 -0.75 0.27 115.31 126.70 3i04 h LEU 104 Ca 0.34 0.00 -0.00 0.00 0.13 0.00 0.00 57.88 58.35 3i04 h LEU 104 Cb 0.13 -0.13 0.00 0.00 -0.53 0.00 0.00 40.66 40.13 3i04 h LEU 104 CO -0.11 0.43 -0.03 0.24 -0.13 0.00 0.00 178.44 178.84 3i04 h MET 105 N 0.75 -0.08 -0.87 1.25 2.86 -1.06 -1.76 114.93 116.02 3i04 h MET 105 Ca 0.25 0.01 0.23 0.00 -2.06 0.00 0.00 59.70 58.12 3i04 h MET 105 Cb 0.02 0.02 -0.13 0.00 0.06 0.00 0.00 31.60 31.56 3i04 h MET 105 CO -0.10 0.18 0.27 0.82 1.06 0.00 0.00 176.91 179.14 3i04 h ILE 106 N -0.33 0.37 -0.24 -1.22 2.04 -1.15 -2.48 117.51 114.49 3i04 h ILE 106 Ca -0.01 -0.09 0.00 0.00 1.00 0.00 0.00 64.86 65.77 3i04 h ILE 106 Cb 0.29 0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 36.45 3i04 h ILE 106 CO 0.01 0.05 0.16 -0.07 0.00 0.00 0.00 178.15 178.30 3i04 h LEU 107 N 0.26 0.28 -1.38 1.44 3.38 0.29 0.65 115.31 120.22 3i04 h LEU 107 Ca 0.54 -0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.49 3i04 h LEU 107 Cb 1.08 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.74 3i04 h LEU 107 CO -0.61 0.20 0.23 0.71 0.09 0.00 0.00 178.44 179.05 3i04 h THR 108 N 0.33 1.16 -0.04 0.22 1.35 -0.93 0.97 112.91 115.97 3i04 h THR 108 Ca 0.09 -0.44 -0.02 0.00 -0.55 0.00 0.00 66.41 65.50 3i04 h THR 108 Cb -0.04 0.56 -0.00 0.00 -1.73 0.00 0.00 68.15 66.95 3i04 h THR 108 CO -0.02 0.18 -0.04 1.23 -0.25 0.00 0.00 175.52 176.62 3i04 h GLY 109 N 0.75 0.10 0.92 5.82 0.00 -1.02 -0.96 103.07 108.68 3i04 h GLY 109 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 47.33 47.41 3i04 h GLY 109 CO -0.02 0.09 0.26 0.00 0.00 0.00 0.00 176.54 176.87 3i04 h ALA 110 N 0.53 0.54 -0.73 3.60 0.00 -0.61 -0.18 119.26 122.42 3i04 h ALA 110 Ca 0.01 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 110 Cb 0.54 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.17 3i04 h ALA 110 CO 0.01 -0.06 0.35 0.00 0.00 0.00 0.00 179.25 179.55 3i04 h ALA 111 N 1.18 0.95 -0.16 0.00 0.00 -0.79 0.30 119.26 120.73 3i04 h ALA 111 Ca 0.17 -0.15 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 111 Cb -0.01 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.49 3i04 h ALA 111 CO -0.07 0.51 -0.02 0.00 0.00 0.00 0.00 179.25 179.67 3i04 h ALA 112 N 1.17 0.22 -0.71 0.00 0.00 -0.79 0.44 119.26 119.59 3i04 h ALA 112 Ca 0.25 -0.22 -0.05 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 112 Cb 0.12 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 112 CO -0.03 -0.04 0.23 0.45 0.00 0.00 0.00 179.25 179.86 3i04 h HIS 113 N 0.03 1.13 -0.54 0.00 3.86 -0.89 -2.59 115.15 116.14 3i04 h HIS 113 Ca 0.04 -0.10 -0.00 0.00 -1.16 0.00 0.00 60.37 59.15 3i04 h HIS 113 Cb 0.43 -0.33 -0.03 0.00 1.06 0.00 0.00 27.41 28.55 3i04 h HIS 113 CO 0.04 0.89 0.33 0.00 0.86 0.00 0.00 177.93 180.05 3i04 h GLU 115 N 0.73 0.93 0.07 0.00 4.22 -0.68 0.36 114.58 120.22 3i04 h GLU 115 Ca 0.19 -0.14 -0.00 0.00 0.08 0.00 0.00 59.36 59.49 3i04 h GLU 115 Cb -0.03 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.06 3i04 h GLU 115 CO -0.04 0.75 -0.04 1.25 -2.18 0.00 0.00 179.01 178.76 3i04 h HIS 116 N 0.92 -0.09 -0.39 0.92 2.76 -1.30 0.20 115.15 118.17 3i04 h HIS 116 Ca 0.22 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.37 3i04 h HIS 116 Cb 0.16 0.03 -0.02 0.00 1.55 0.00 0.00 27.41 29.13 3i04 h HIS 116 CO 0.01 0.14 0.17 0.78 -1.30 0.00 0.00 177.93 177.73 3i04 h GLY 117 N -0.32 0.61 1.01 5.26 0.00 -1.01 -1.97 103.07 106.66 3i04 h GLY 117 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 47.33 46.99 3i04 h GLY 117 CO 0.02 0.30 0.43 -0.57 0.00 0.00 0.00 176.54 176.72 3i04 h ASN 118 N 0.48 0.91 -0.30 0.19 -0.00 -0.84 -0.29 115.58 115.73 3i04 h ASN 118 Ca 0.13 -0.08 -0.02 0.00 -0.00 0.00 0.00 56.30 56.33 3i04 h ASN 118 Cb 0.16 -0.23 -0.01 0.00 -0.00 0.00 0.00 38.32 38.24 3i04 h ASN 118 CO -0.01 0.72 0.12 -0.74 -0.00 0.00 0.00 177.43 177.52 3i04 h HIS 119 N 1.02 0.47 -0.36 0.67 2.76 -0.47 -0.70 115.15 118.54 3i04 h HIS 119 Ca 0.26 -0.04 -0.15 0.00 -2.20 0.00 0.00 60.37 58.25 3i04 h HIS 119 Cb -0.00 -0.14 -0.01 0.00 1.55 0.00 0.00 27.41 28.81 3i04 h HIS 119 CO -0.01 0.46 -0.37 0.82 -1.30 0.00 0.00 177.93 177.54 3i04 h ILE 120 N 0.34 1.28 -0.61 6.26 2.04 -1.16 -1.69 117.51 123.97 3i04 h ILE 120 Ca 0.10 -1.54 0.03 0.00 1.00 0.00 0.00 64.86 64.45 3i04 h ILE 120 Cb 0.20 1.39 -0.04 0.00 -0.74 0.00 0.00 36.82 37.63 3i04 h ILE 120 CO -0.01 0.51 0.36 0.00 0.00 0.00 0.00 178.15 179.02 3i04 h ALA 121 N 0.87 0.79 -0.41 1.87 0.00 -0.85 -0.69 119.26 120.84 3i04 h ALA 121 Ca 0.06 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 121 Cb 0.94 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.53 3i04 h ALA 121 CO 0.09 0.09 0.23 1.25 0.00 0.00 0.00 179.25 180.91 3i04 h HIS 122 N 0.71 0.43 -0.95 0.00 -0.00 -0.97 -2.53 115.15 111.85 3i04 h HIS 122 Ca 0.25 0.01 0.01 0.00 -0.00 0.00 0.00 60.37 60.64 3i04 h HIS 122 Cb 0.04 -0.14 -0.05 0.00 -0.00 0.00 0.00 27.41 27.27 3i04 h HIS 122 CO -0.06 0.24 0.63 0.00 -0.00 0.00 0.00 177.93 178.74 3i04 h ALA 123 N 1.19 1.21 -0.61 5.26 0.00 -0.90 -0.51 119.26 124.90 3i04 h ALA 123 Ca 0.17 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 123 Cb 0.03 -0.39 -0.03 0.00 0.00 0.00 0.00 17.79 17.41 3i04 h ALA 123 CO -0.09 0.61 0.19 1.25 0.00 0.00 0.00 179.25 181.20 3i04 h LEU 124 N 1.29 0.90 -0.29 0.00 5.85 -0.93 0.90 115.31 123.03 3i04 h LEU 124 Ca 0.35 -0.21 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3i04 h LEU 124 Cb -0.14 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.64 3i04 h LEU 124 CO -0.07 0.87 0.05 0.58 -0.34 0.00 0.00 178.44 179.52 3i04 h VAL 125 N 0.88 1.23 -0.60 1.05 2.07 -1.20 -0.69 116.25 119.00 3i04 h VAL 125 Ca 0.20 -0.80 0.07 0.00 0.82 0.00 0.00 66.70 66.98 3i04 h VAL 125 Cb 0.30 1.20 -0.06 0.00 -1.52 0.00 0.00 31.29 31.21 3i04 h VAL 125 CO -0.00 0.26 0.28 -0.33 0.02 0.00 0.00 177.57 177.80 3i04 h GLU 126 N 0.30 0.50 0.24 1.57 4.39 -0.90 -1.42 114.58 119.27 3i04 h GLU 126 Ca 0.09 -0.03 0.00 0.00 0.34 0.00 0.00 59.36 59.76 3i04 h GLU 126 Cb 0.34 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.86 3i04 h GLU 126 CO 0.01 0.33 -0.24 1.98 -1.16 0.00 0.00 179.01 179.93 3i04 h MET 127 N 0.52 -0.49 -0.22 2.33 4.05 -0.65 -0.70 114.93 119.77 3i04 h MET 127 Ca 0.28 0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.80 3i04 h MET 127 Cb 0.26 0.11 -0.01 0.00 -0.80 0.00 0.00 31.60 31.16 3i04 h MET 127 CO -0.23 -0.33 0.20 0.00 0.23 0.00 0.00 176.91 176.79 3i04 h ALA 128 N 0.17 1.95 -0.49 0.39 0.00 -0.62 -1.62 119.26 119.04 3i04 h ALA 128 Ca -0.00 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 128 Cb 0.47 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i04 h ALA 128 CO -0.05 -0.31 0.00 0.39 0.00 0.00 0.00 179.25 179.27 3i04 n GLU 129 N -4.01 2.24 -0.66 0.00 1.02 -0.58 -4.86 120.64 113.79 3i04 n GLU 129 Ca 0.02 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.25 3i04 n GLU 129 Cb 0.34 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.33 3i04 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 130 N 1.36 0.65 0.83 0.62 0.00 -0.61 -4.96 105.19 103.09 3i04 n GLY 130 Ca 0.18 -0.15 0.09 0.00 0.00 0.00 0.00 46.02 46.14 3i04 n GLY 130 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3i04 n LYS 131 N -2.66 1.96 -3.10 1.61 5.02 -0.29 -4.68 118.16 116.01 3i04 n LYS 131 Ca 0.00 -1.86 -0.20 0.00 -2.02 0.00 0.00 58.31 54.22 3i04 n LYS 131 Cb 0.00 -1.38 -0.05 0.00 -0.02 0.00 0.00 35.03 33.59 3i04 n LYS 131 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3i04 n ALA 132 N 1.06 1.53 0.34 7.82 0.00 -1.23 -4.26 120.51 125.78 3i04 n ALA 132 Ca 0.13 -2.88 0.06 0.00 0.00 0.00 0.00 53.44 50.76 3i04 n ALA 132 Cb 0.48 -0.94 0.28 0.00 0.00 0.00 0.00 19.45 19.27 3i04 n ALA 132 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3i04 n PRO 133 N 1.65 0.04 0.00 0.00 -0.04 -1.26 -1.60 135.00 133.79 3i04 n PRO 133 Ca 0.19 0.36 0.15 0.00 -0.04 0.00 0.00 63.50 64.16 3i04 n PRO 133 Cb 0.55 -1.58 0.76 0.00 -0.04 0.00 0.00 33.50 33.18 3i04 n PRO 133 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i04 n ASP 134 N -1.66 0.00 -4.57 3.54 8.00 -1.26 -4.83 116.55 115.76 3i04 n ASP 134 Ca 0.02 -0.25 -0.24 0.00 0.71 0.00 0.00 54.79 55.03 3i04 n ASP 134 Cb 0.13 -0.24 -0.09 0.00 -0.02 0.00 0.00 41.12 40.90 3i04 n ASP 134 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 3i04 s TYR 135 N -2.49 2.50 0.22 1.24 1.51 -0.62 -5.02 117.35 114.68 3i04 s TYR 135 Ca 0.30 -0.32 -0.23 0.00 -1.01 0.00 0.00 57.07 55.82 3i04 s TYR 135 Cb 0.20 -1.19 0.04 0.00 -0.11 0.00 0.00 41.96 40.90 3i04 s TYR 135 CO 0.43 0.62 0.75 -1.54 -1.11 0.00 0.00 175.55 174.70 3i04 s SER 136 N -3.62 -0.32 -0.62 2.29 1.04 -1.26 -4.96 113.70 106.25 3i04 s SER 136 Ca 0.32 -0.41 -0.27 0.00 0.48 0.00 0.00 55.95 56.07 3i04 s SER 136 Cb -0.04 0.64 0.03 0.00 0.10 0.00 0.00 66.02 66.75 3i04 s SER 136 CO 0.18 -1.15 1.17 -0.69 0.98 0.00 0.00 173.24 173.73 3i04 s VAL 137 N -3.72 4.01 -0.49 5.02 1.01 -1.26 -4.42 120.40 120.54 3i04 s VAL 137 Ca 0.09 0.66 0.24 0.00 0.00 0.00 0.00 61.98 62.97 3i04 s VAL 137 Cb -0.04 -4.74 0.09 0.00 0.00 0.00 0.00 36.38 31.69 3i04 s VAL 137 CO 0.01 -1.43 1.31 0.11 0.00 0.00 0.00 175.10 175.10 3i04 h LYS 138 N 9.62 0.00 -2.80 2.72 1.57 -1.30 -3.42 116.57 122.96 3i04 h LYS 138 Ca -0.26 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 57.92 3i04 h LYS 138 Cb 1.06 0.00 -0.40 0.00 0.08 0.00 0.00 32.23 32.97 3i04 h LYS 138 CO 1.19 0.00 -0.79 0.34 -0.57 0.00 0.00 179.45 179.63 3i04 s ASP 139 N -4.88 3.22 0.24 0.86 3.68 -0.78 -4.70 116.67 114.31 3i04 s ASP 139 Ca 0.05 -2.70 -0.02 0.00 2.13 0.00 0.00 52.55 52.01 3i04 s ASP 139 Cb 0.11 -0.83 0.26 0.00 -1.45 0.00 0.00 42.92 41.01 3i04 s ASP 139 CO 0.73 -0.25 1.67 -0.33 0.13 0.00 0.00 175.17 177.12 3i04 h GLU 140 N 6.51 0.69 -0.56 4.34 5.08 -1.86 -1.68 114.58 127.10 3i04 h GLU 140 Ca 0.07 -0.26 -0.03 0.00 -1.00 0.00 0.00 59.36 58.13 3i04 h GLU 140 Cb 0.92 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.11 3i04 h GLU 140 CO 0.43 0.85 0.23 0.00 -1.00 0.00 0.00 179.01 179.52 3i04 h ALA 141 N 1.16 0.73 -0.58 3.43 0.00 -1.99 -1.03 119.26 120.97 3i04 h ALA 141 Ca 0.09 -0.16 0.02 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 141 Cb 0.69 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 141 CO 0.05 0.34 0.37 -0.22 0.00 0.00 0.00 179.25 179.79 3i04 h LYS 142 N 0.77 0.72 -0.24 0.00 1.63 -1.90 -0.70 116.57 116.85 3i04 h LYS 142 Ca 0.19 -0.04 -0.00 0.00 -0.85 0.00 0.00 60.65 59.94 3i04 h LYS 142 Cb 0.20 -0.16 -0.01 0.00 -0.60 0.00 0.00 32.23 31.65 3i04 h LYS 142 CO -0.02 0.47 0.14 1.25 -3.45 0.00 0.00 179.45 177.85 3i04 h LEU 143 N 0.74 0.28 -0.80 5.20 5.85 -0.81 -1.39 115.31 124.38 3i04 h LEU 143 Ca 0.23 -0.04 -0.09 0.00 0.84 0.00 0.00 57.88 58.82 3i04 h LEU 143 Cb -0.02 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 40.92 3i04 h LEU 143 CO -0.08 0.24 -0.06 0.11 -0.34 0.00 0.00 178.44 178.32 3i04 h LYS 144 N 0.30 0.85 -0.55 1.25 1.57 -1.03 -0.39 116.57 118.57 3i04 h LYS 144 Ca 0.08 -0.26 -0.06 0.00 -1.87 0.00 0.00 60.65 58.54 3i04 h LYS 144 Cb 0.01 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.22 3i04 h LYS 144 CO -0.02 0.89 0.11 1.49 -0.57 0.00 0.00 179.45 181.35 3i04 h GLU 145 N 0.78 0.90 -0.57 3.15 4.57 -0.99 -1.78 114.58 120.64 3i04 h GLU 145 Ca 0.14 -0.23 -0.10 0.00 -1.18 0.00 0.00 59.36 57.98 3i04 h GLU 145 Cb 0.55 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.01 3i04 h GLU 145 CO 0.03 0.86 -0.04 0.28 -1.18 0.00 0.00 179.01 178.96 3i04 h VAL 146 N 0.80 1.27 -0.01 0.32 2.07 -0.97 -0.57 116.25 119.15 3i04 h VAL 146 Ca 0.17 -1.19 0.02 0.00 0.82 0.00 0.00 66.70 66.52 3i04 h VAL 146 Cb 0.38 0.89 -0.03 0.00 -1.52 0.00 0.00 31.29 31.02 3i04 h VAL 146 CO 0.01 0.43 -0.12 0.00 0.02 0.00 0.00 177.57 177.91 3i04 h ARG 148 N -0.19 0.45 -0.90 0.00 3.08 -1.18 -0.65 114.38 114.98 3i04 h ARG 148 Ca 0.05 -0.03 0.15 0.00 0.07 0.00 0.00 59.98 60.22 3i04 h ARG 148 Cb 0.25 -0.10 -0.07 0.00 0.08 0.00 0.00 29.97 30.13 3i04 h ARG 148 CO -0.12 0.30 0.58 -0.09 -1.07 0.00 0.00 179.97 179.56 3i04 h ARG 149 N 0.46 0.66 -0.21 0.04 2.43 -0.85 -1.23 114.38 115.68 3i04 h ARG 149 Ca 0.15 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 3i04 h ARG 149 Cb -0.01 -0.15 0.00 0.00 -0.42 0.00 0.00 29.97 29.39 3i04 h ARG 149 CO -0.06 0.44 0.00 1.33 -1.51 0.00 0.00 179.97 180.17 3i04 n VAL 150 N -4.57 0.26 -0.48 0.20 0.24 -0.78 -4.90 118.33 108.31 3i04 n VAL 150 Ca 0.18 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.94 3i04 n VAL 150 Cb 0.49 0.90 0.00 0.00 -1.47 0.00 0.00 33.84 33.76 3i04 n VAL 150 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 3i04 n GLY 151 N 1.35 0.75 3.72 7.63 0.00 -0.46 -5.04 105.19 113.13 3i04 n GLY 151 Ca 0.17 -0.09 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3i04 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 152 N -2.00 4.23 -0.02 -0.61 1.01 -0.33 -4.99 121.20 118.49 3i04 s ILE 152 Ca 0.00 1.64 -0.30 0.00 0.00 0.00 0.00 60.65 61.99 3i04 s ILE 152 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.38 3i04 s ILE 152 CO 0.00 0.15 1.15 -0.70 0.00 0.00 0.00 174.94 175.54 3i04 s GLU 153 N 0.84 4.41 -0.07 2.79 2.56 -1.26 -3.92 118.70 124.04 3i04 s GLU 153 Ca 0.56 1.63 0.16 0.00 0.00 0.00 0.00 54.97 57.32 3i04 s GLU 153 Cb -0.27 -3.48 -0.22 0.00 2.00 0.00 0.00 34.13 32.15 3i04 s GLU 153 CO 0.30 -0.32 0.50 0.28 -0.56 0.00 0.00 175.26 175.45 3i04 n VAL 154 N 4.32 1.32 -1.76 3.70 0.31 -1.26 -4.89 118.33 120.07 3i04 n VAL 154 Ca 0.09 -0.77 -0.41 0.00 -0.01 0.00 0.00 64.34 63.24 3i04 n VAL 154 Cb 0.47 -0.70 -0.01 0.00 -0.91 0.00 0.00 33.84 32.69 3i04 n VAL 154 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 3i04 n GLU 155 N -2.85 2.69 -0.97 5.55 0.00 -1.26 -2.88 120.64 120.91 3i04 n GLU 155 Ca -0.19 0.95 0.00 0.00 0.00 0.00 0.00 57.16 57.92 3i04 n GLU 155 Cb 1.00 -2.71 0.00 0.00 0.00 0.00 0.00 31.44 29.73 3i04 n GLU 155 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3i04 n GLY 156 N 1.51 0.56 3.70 8.31 0.00 -1.26 -5.01 105.19 113.00 3i04 n GLY 156 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 3i04 n GLY 156 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3i04 s LYS 157 N -0.29 2.60 0.74 1.61 1.02 -1.14 -5.12 119.74 119.16 3i04 s LYS 157 Ca 0.00 -0.81 -0.11 0.00 0.02 0.00 0.00 55.97 55.08 3i04 s LYS 157 Cb 0.00 -2.57 0.05 0.00 -0.52 0.00 0.00 37.83 34.79 3i04 s LYS 157 CO 0.00 0.55 1.11 -1.54 -0.92 0.00 0.00 175.35 174.54 3i04 s SER 158 N -2.28 4.97 0.13 2.83 1.04 -1.26 -4.93 113.70 114.21 3i04 s SER 158 Ca 0.26 0.86 -0.22 0.00 0.48 0.00 0.00 55.95 57.32 3i04 s SER 158 Cb -0.12 -1.52 -0.01 0.00 0.10 0.00 0.00 66.02 64.47 3i04 s SER 158 CO 0.18 -1.59 1.66 0.58 0.98 0.00 0.00 173.24 175.05 3i04 h VAL 159 N -0.78 0.54 -0.90 5.02 2.07 -2.00 -2.28 116.25 117.93 3i04 h VAL 159 Ca -0.45 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.08 3i04 h VAL 159 Cb 1.29 0.54 -0.05 0.00 -1.52 0.00 0.00 31.29 31.56 3i04 h VAL 159 CO 0.64 0.00 0.59 -0.07 0.02 0.00 0.00 177.57 178.75 3i04 h LEU 160 N -0.21 1.02 -0.64 2.57 3.38 -1.94 -1.23 115.31 118.26 3i04 h LEU 160 Ca 0.10 -0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 3i04 h LEU 160 Cb 0.36 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 3i04 h LEU 160 CO -0.27 0.73 0.39 -0.33 0.09 0.00 0.00 178.44 179.05 3i04 h GLU 161 N 1.20 0.87 -0.68 1.13 5.08 -1.83 -0.91 114.58 119.43 3i04 h GLU 161 Ca 0.33 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3i04 h GLU 161 Cb -0.11 -0.18 -0.03 0.00 0.50 0.00 0.00 28.75 28.92 3i04 h GLU 161 CO -0.08 0.61 0.42 -0.07 -1.00 0.00 0.00 179.01 178.89 3i04 h LEU 162 N 0.87 0.82 -0.42 1.33 3.38 -1.01 -0.53 115.31 119.75 3i04 h LEU 162 Ca 0.23 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 58.11 3i04 h LEU 162 Cb -0.04 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.49 3i04 h LEU 162 CO -0.04 0.63 0.13 0.00 0.09 0.00 0.00 178.44 179.24 3i04 h ALA 163 N 1.22 0.55 -0.46 1.53 0.00 -1.00 0.04 119.26 121.14 3i04 h ALA 163 Ca 0.25 -0.17 0.03 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 163 Cb -0.04 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 17.56 3i04 h ALA 163 CO -0.05 0.20 0.26 0.37 0.00 0.00 0.00 179.25 180.03 3i04 h GLN 164 N 0.53 0.50 -0.14 0.00 4.15 -1.07 -0.62 115.11 118.46 3i04 h GLN 164 Ca 0.13 -0.03 -0.11 0.00 0.77 0.00 0.00 58.65 59.41 3i04 h GLN 164 Cb 0.27 -0.11 0.00 0.00 0.21 0.00 0.00 27.48 27.85 3i04 h GLN 164 CO -0.00 0.33 -0.35 1.49 -1.93 0.00 0.00 178.83 178.36 3i04 h GLU 165 N 0.51 0.49 -0.28 1.69 4.81 -0.87 -0.89 114.58 120.04 3i04 h GLU 165 Ca 0.19 -0.34 -0.09 0.00 -0.13 0.00 0.00 59.36 58.99 3i04 h GLU 165 Cb 0.05 0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 3i04 h GLU 165 CO -0.10 0.95 -0.22 -0.24 -0.73 0.00 0.00 179.01 178.67 3i04 h VAL 166 N 0.11 1.26 -0.35 0.32 3.04 -1.01 -0.85 116.25 118.76 3i04 h VAL 166 Ca -0.00 -1.22 -0.00 0.00 -1.01 0.00 0.00 66.70 64.47 3i04 h VAL 166 Cb 0.96 1.28 -0.02 0.00 -2.01 0.00 0.00 31.29 31.51 3i04 h VAL 166 CO 0.08 0.39 0.21 1.23 -1.01 0.00 0.00 177.57 178.47 3i04 h GLY 167 N 0.99 0.50 1.53 3.17 0.00 -0.98 -1.62 103.07 106.67 3i04 h GLY 167 Ca 0.07 -0.20 -0.10 0.00 0.00 0.00 0.00 47.33 47.10 3i04 h GLY 167 CO 0.04 0.20 -0.22 0.83 0.00 0.00 0.00 176.54 177.39 3i04 h GLU 168 N 0.45 0.55 -0.72 4.80 5.08 -0.96 -1.06 114.58 122.72 3i04 h GLU 168 Ca 0.12 -0.20 -0.07 0.00 -1.00 0.00 0.00 59.36 58.22 3i04 h GLU 168 Cb -0.00 -0.04 -0.03 0.00 0.50 0.00 0.00 28.75 29.18 3i04 h GLU 168 CO -0.02 0.74 0.19 -0.22 -1.00 0.00 0.00 179.01 178.69 3i04 h LYS 169 N 0.49 1.14 -0.57 2.33 3.64 -0.84 -2.04 116.57 120.72 3i04 h LYS 169 Ca 0.07 -0.26 -0.10 0.00 -1.27 0.00 0.00 60.65 59.09 3i04 h LYS 169 Cb 0.65 -0.15 -0.02 0.00 -0.41 0.00 0.00 32.23 32.29 3i04 h LYS 169 CO 0.05 0.99 -0.02 0.00 -2.27 0.00 0.00 179.45 178.20 3i04 h ALA 170 N 1.11 0.88 -0.27 5.00 0.00 -1.08 -2.83 119.26 122.07 3i04 h ALA 170 Ca 0.23 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 170 Cb 0.35 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 170 CO -0.00 0.65 0.19 -0.07 0.00 0.00 0.00 179.25 180.02 3i04 h LEU 171 N 0.92 0.20 -1.30 0.00 3.38 -0.87 -1.69 115.31 115.95 3i04 h LEU 171 Ca 0.16 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 3i04 h LEU 171 Cb 0.56 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 3i04 h LEU 171 CO 0.03 0.13 0.20 -0.33 0.09 0.00 0.00 178.44 178.57 3i04 h GLU 172 N 0.23 0.68 0.00 1.13 5.08 -1.12 -2.09 114.58 118.49 3i04 h GLU 172 Ca 0.12 -0.09 -0.03 0.00 -1.00 0.00 0.00 59.36 58.35 3i04 h GLU 172 Cb 0.18 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.30 3i04 h GLU 172 CO -0.02 0.55 -0.15 -0.44 -1.00 0.00 0.00 179.01 177.96 3i04 h ASP 173 N 0.68 0.00 0.67 1.42 3.32 -1.26 -2.16 116.42 119.08 3i04 h ASP 173 Ca 0.17 0.00 -0.27 0.00 0.02 0.00 0.00 57.03 56.95 3i04 h ASP 173 Cb 0.12 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.66 3i04 h ASP 173 CO -0.02 0.15 -1.31 -0.26 -1.72 0.00 0.00 179.24 176.08 3i04 h PHE 174 N 0.00 0.28 0.00 4.55 -1.00 -1.31 0.23 116.94 119.69 3i04 h PHE 174 Ca -0.00 -0.21 -0.22 0.00 2.81 0.00 0.00 57.97 60.36 3i04 h PHE 174 Cb 0.40 -0.01 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3i04 h PHE 174 CO 0.00 1.20 -1.14 0.00 -1.61 0.00 0.00 178.31 176.76 3i04 h ARG 175 N 0.04 0.00 -6.90 1.51 3.08 -1.26 -3.21 114.38 107.65 3i04 h ARG 175 Ca -0.15 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.37 3i04 h ARG 175 Cb 1.93 0.00 0.10 0.00 0.08 0.00 0.00 29.97 32.08 3i04 h ARG 175 CO 0.16 0.78 0.82 0.50 -1.07 0.00 0.00 179.97 181.16 3i04 s ARG 176 N -2.72 4.11 0.42 0.04 3.52 -0.83 -4.90 118.95 118.59 3i04 s ARG 176 Ca -0.00 2.58 0.02 0.00 -0.13 0.00 0.00 55.73 58.20 3i04 s ARG 176 Cb 0.09 -2.98 -0.00 0.00 -1.56 0.00 0.00 34.95 30.49 3i04 s ARG 176 CO 0.81 -0.57 0.62 -0.51 -0.81 0.00 0.00 175.30 174.84 3i04 s LEU 177 N -1.57 3.72 -0.20 -0.88 1.43 -1.26 -2.66 118.68 117.27 3i04 s LEU 177 Ca 0.56 0.17 -0.40 0.00 -1.03 0.00 0.00 54.13 53.43 3i04 s LEU 177 Cb -0.47 -3.06 -0.17 0.00 0.03 0.00 0.00 46.19 42.52 3i04 s LEU 177 CO 0.58 -0.64 1.56 1.17 0.23 0.00 0.00 176.35 179.25 3i04 n LYS 178 N -1.98 0.86 -0.13 1.70 4.81 -1.26 -1.62 118.16 120.54 3i04 n LYS 178 Ca 0.01 0.31 0.00 0.00 -0.87 0.00 0.00 58.31 57.76 3i04 n LYS 178 Cb 0.58 -1.94 0.00 0.00 0.02 0.00 0.00 35.03 33.69 3i04 n LYS 178 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 3i04 n GLY 179 N 3.51 1.13 0.62 3.14 0.00 -1.26 -4.89 105.19 107.45 3i04 n GLY 179 Ca 0.25 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.38 3i04 n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 180 N -2.00 1.83 0.00 1.61 1.02 -0.64 -5.04 120.64 117.42 3i04 n GLU 180 Ca 0.00 -1.24 0.00 0.00 -0.02 0.00 0.00 57.16 55.90 3i04 n GLU 180 Cb 0.00 -1.42 0.00 0.00 -0.02 0.00 0.00 31.44 30.00 3i04 n GLU 180 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 181 N 1.19 0.41 3.16 0.62 0.00 -1.26 -4.93 105.19 104.38 3i04 n GLY 181 Ca 0.17 -1.87 -0.24 0.00 0.00 0.00 0.00 46.02 44.08 3i04 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 182 N -0.73 1.34 0.02 1.61 2.02 -1.26 -4.13 118.70 117.57 3i04 s GLU 182 Ca 0.00 -0.62 -0.31 0.00 0.02 0.00 0.00 54.97 54.06 3i04 s GLU 182 Cb 0.00 -1.31 -0.10 0.00 0.10 0.00 0.00 34.13 32.82 3i04 s GLU 182 CO 0.00 0.36 1.94 0.00 0.02 0.00 0.00 175.26 177.57 3i04 n ALA 183 N 2.59 1.48 -0.25 5.21 0.00 -0.17 -4.91 120.51 124.46 3i04 n ALA 183 Ca -0.15 0.24 -0.04 0.00 0.00 0.00 0.00 53.44 53.49 3i04 n ALA 183 Cb 0.54 -2.63 0.06 0.00 0.00 0.00 0.00 19.45 17.43 3i04 n ALA 183 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3i04 h THR 184 N 5.47 1.14 0.00 0.00 2.02 -1.92 -2.61 112.91 117.02 3i04 h THR 184 Ca -0.49 -0.31 0.00 0.00 0.77 0.00 0.00 66.41 66.38 3i04 h THR 184 Cb 1.25 0.15 0.00 0.00 -1.74 0.00 0.00 68.15 67.81 3i04 h THR 184 CO 0.94 0.17 0.00 -0.50 0.37 0.00 0.00 175.52 176.50 3i04 h TRP 185 N 0.91 0.00 0.00 3.16 6.55 -1.90 -1.04 115.95 123.63 3i04 h TRP 185 Ca 0.27 0.00 -0.00 0.00 0.95 0.00 0.00 58.89 60.11 3i04 h TRP 185 Cb -0.05 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.25 3i04 h TRP 185 CO -0.03 0.00 -0.00 1.25 -1.05 0.00 0.00 178.44 178.61 3i04 h LEU 186 N 0.00 -0.00 -0.89 -4.49 5.85 -1.83 -3.36 115.31 110.58 3i04 h LEU 186 Ca 0.00 -0.30 -0.07 0.00 0.84 0.00 0.00 57.88 58.35 3i04 h LEU 186 Cb 0.45 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3i04 h LEU 186 CO 0.00 0.64 -0.35 0.24 -0.34 0.00 0.00 178.44 178.64 3i04 h MET 187 N -1.00 0.00 -0.02 1.25 2.86 -1.24 -1.95 114.93 114.84 3i04 h MET 187 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i04 h MET 187 Cb 0.30 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.96 3i04 h MET 187 CO 0.00 0.35 -0.01 0.25 1.06 0.00 0.00 176.91 178.55 3i04 n THR 188 N -3.46 0.00 0.01 2.22 -2.24 -0.41 -3.98 114.28 106.41 3i04 n THR 188 Ca 0.00 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.52 3i04 n THR 188 Cb 0.51 0.56 0.00 0.00 -2.10 0.00 0.00 70.33 69.31 3i04 n THR 188 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 3i04 n THR 189 N 0.22 0.35 -4.50 4.28 -2.24 -0.75 -4.95 114.28 106.69 3i04 n THR 189 Ca 0.18 -0.67 -0.25 0.00 -2.27 0.00 0.00 64.05 61.04 3i04 n THR 189 Cb 0.37 0.83 -0.10 0.00 -2.10 0.00 0.00 70.33 69.33 3i04 n THR 189 CO 0.00 0.00 0.00 0.27 -0.57 0.00 0.00 175.07 174.77 3i04 s ILE 190 N -0.37 2.40 0.87 2.28 -4.36 -1.13 -4.83 121.20 116.07 3i04 s ILE 190 Ca 0.01 -2.32 -0.13 0.00 -0.26 0.00 0.00 60.65 57.94 3i04 s ILE 190 Cb 0.00 -2.44 0.13 0.00 1.25 0.00 0.00 42.46 41.40 3i04 s ILE 190 CO 0.00 -0.32 1.24 0.54 0.24 0.00 0.00 174.94 176.64 3i04 s ASN 191 N -3.55 3.89 0.23 4.36 4.22 -1.26 -4.89 114.94 117.94 3i04 s ASN 191 Ca 0.31 0.53 -0.05 0.00 -2.14 0.00 0.00 52.86 51.51 3i04 s ASN 191 Cb -0.02 -0.82 0.23 0.00 1.28 0.00 0.00 41.25 41.92 3i04 s ASN 191 CO 0.16 -2.27 1.73 -0.33 -2.04 0.00 0.00 177.10 174.34 3i04 h GLU 192 N -1.30 0.93 -0.24 3.55 4.39 -1.97 -2.45 114.58 117.49 3i04 h GLU 192 Ca -0.45 -0.25 0.06 0.00 0.34 0.00 0.00 59.36 59.06 3i04 h GLU 192 Cb 1.29 -0.11 -0.07 0.00 -0.10 0.00 0.00 28.75 29.76 3i04 h GLU 192 CO 0.53 0.90 -0.26 0.78 -1.16 0.00 0.00 179.01 179.80 3i04 h GLY 193 N 1.01 -0.22 1.18 -3.84 0.00 -1.94 -1.19 103.07 98.07 3i04 h GLY 193 Ca 0.17 0.33 -0.11 0.00 0.00 0.00 0.00 47.33 47.72 3i04 h GLY 193 CO 0.02 -0.20 -0.10 3.21 0.00 0.00 0.00 176.54 179.46 3i04 h ARG 194 N -0.28 0.96 0.02 4.80 2.47 -1.90 -1.80 114.38 118.66 3i04 h ARG 194 Ca 0.13 -0.34 0.02 0.00 -1.26 0.00 0.00 59.98 58.53 3i04 h ARG 194 Cb 0.48 -0.07 -0.03 0.00 -1.65 0.00 0.00 29.97 28.71 3i04 h ARG 194 CO -0.40 1.00 -0.13 0.87 0.56 0.00 0.00 179.97 181.87 3i04 h LYS 195 N 0.86 -0.23 -0.06 0.04 1.57 -1.13 0.77 116.57 118.40 3i04 h LYS 195 Ca 0.14 0.02 0.02 0.00 -1.87 0.00 0.00 60.65 58.95 3i04 h LYS 195 Cb 0.64 0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.98 3i04 h LYS 195 CO 0.04 -0.15 -0.07 1.49 -0.57 0.00 0.00 179.45 180.20 3i04 h GLU 196 N -0.24 -0.09 -0.56 3.15 4.57 -1.21 -0.88 114.58 119.32 3i04 h GLU 196 Ca 0.04 0.01 0.11 0.00 -1.18 0.00 0.00 59.36 58.34 3i04 h GLU 196 Cb 0.29 0.02 -0.10 0.00 -0.16 0.00 0.00 28.75 28.80 3i04 h GLU 196 CO -0.12 -0.06 -0.05 -0.22 -1.18 0.00 0.00 179.01 177.39 3i04 h LYS 197 N -0.09 0.07 -0.06 1.92 1.63 -0.86 0.11 116.57 119.29 3i04 h LYS 197 Ca 0.05 -0.00 -0.21 0.00 -0.85 0.00 0.00 60.65 59.63 3i04 h LYS 197 Cb 0.15 -0.02 0.00 0.00 -0.60 0.00 0.00 32.23 31.77 3i04 h LYS 197 CO -0.11 0.04 -0.84 0.74 -3.45 0.00 0.00 179.45 175.83 3i04 h PHE 198 N 0.07 0.72 0.24 1.91 0.05 -0.57 -2.25 116.94 117.11 3i04 h PHE 198 Ca 0.28 -0.35 -0.01 0.00 3.82 0.00 0.00 57.97 61.71 3i04 h PHE 198 Cb 0.45 -0.10 0.00 0.00 2.00 0.00 0.00 35.95 38.30 3i04 h PHE 198 CO -0.39 1.15 -0.12 0.00 -0.18 0.00 0.00 178.31 178.77 3i04 h ARG 199 N 0.32 -0.32 -0.03 1.51 3.08 -0.60 -1.03 114.38 117.32 3i04 h ARG 199 Ca -0.06 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.02 3i04 h ARG 199 Cb 1.45 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 31.57 3i04 h ARG 199 CO 0.15 -0.04 0.02 1.79 -1.07 0.00 0.00 179.97 180.82 3i04 h THR 200 N -0.57 0.97 -0.12 2.04 1.35 -0.80 -2.31 112.91 113.46 3i04 h THR 200 Ca -0.03 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.83 3i04 h THR 200 Cb 0.42 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 67.82 3i04 h THR 200 CO 0.05 0.00 0.00 1.41 -0.25 0.00 0.00 175.52 176.73 3i04 n HIS 201 N -4.51 0.13 -3.57 4.73 8.25 -0.85 -4.97 115.22 114.43 3i04 n HIS 201 Ca -0.02 -0.07 -0.21 0.00 -0.26 0.00 0.00 57.72 57.16 3i04 n HIS 201 Cb 0.12 0.00 0.07 0.00 1.12 0.00 0.00 29.99 31.30 3i04 n HIS 201 CO 0.00 0.00 0.00 -1.71 0.64 0.00 0.00 176.34 175.27 3i04 n ASN 202 N 1.10 -3.81 -0.04 0.41 5.15 -0.68 -4.94 115.26 112.44 3i04 n ASN 202 Ca 0.16 -0.63 0.02 0.00 -0.60 0.00 0.00 54.58 53.53 3i04 n ASN 202 Cb 0.54 -4.85 0.03 0.00 -0.53 0.00 0.00 39.78 34.97 3i04 n ASN 202 CO 0.00 0.00 0.00 1.33 1.40 0.00 0.00 177.26 179.99 3i04 n VAL 203 N -4.53 0.98 -2.07 3.44 0.24 -0.48 -4.97 118.33 110.95 3i04 n VAL 203 Ca -0.15 -1.07 -0.42 0.00 -2.04 0.00 0.00 64.34 60.66 3i04 n VAL 203 Cb 0.62 0.42 -0.03 0.00 -1.47 0.00 0.00 33.84 33.38 3i04 n VAL 203 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 3i04 s VAL 204 N -1.20 3.60 0.34 3.34 1.01 -1.23 -4.27 120.40 121.98 3i04 s VAL 204 Ca 0.07 0.81 -0.29 0.00 0.00 0.00 0.00 61.98 62.58 3i04 s VAL 204 Cb 0.06 -3.53 -0.10 0.00 0.00 0.00 0.00 36.38 32.81 3i04 s VAL 204 CO 0.01 -0.05 1.35 -2.16 0.00 0.00 0.00 175.10 174.25 3i04 s PRO 205 N 3.55 4.30 0.00 2.72 0.04 -1.26 -4.91 135.00 139.43 3i04 s PRO 205 Ca 0.70 2.30 0.00 0.00 0.04 0.00 0.00 61.00 64.04 3i04 s PRO 205 Cb -0.33 -3.05 0.00 0.00 0.04 0.00 0.00 34.50 31.16 3i04 s PRO 205 CO 0.28 -0.28 0.00 1.97 0.04 0.00 0.00 177.00 179.01 3i04 n PHE 206 N 0.81 0.00 -4.32 0.56 -1.74 -1.26 -1.00 117.46 110.51 3i04 n PHE 206 Ca 0.01 0.00 -0.24 0.00 -0.56 0.00 0.00 57.45 56.65 3i04 n PHE 206 Cb 0.41 -0.40 -0.13 0.00 1.52 0.00 0.00 39.48 40.89 3i04 n PHE 206 CO 0.00 0.00 0.00 0.20 -0.56 0.00 0.00 176.76 176.40 3i04 s GLY 207 N -2.11 1.24 0.01 4.97 0.00 -1.09 -3.10 107.32 107.24 3i04 s GLY 207 Ca 0.00 -1.24 -0.26 0.00 0.00 0.00 0.00 44.72 43.22 3i04 s GLY 207 CO 0.00 -1.23 1.18 -2.22 0.00 0.00 0.00 173.10 170.83 3i04 h ILE 208 N 4.09 0.32 -0.86 0.90 2.04 -0.65 -0.84 117.51 122.51 3i04 h ILE 208 Ca -0.46 -0.41 0.00 0.00 1.00 0.00 0.00 64.86 64.99 3i04 h ILE 208 Cb 1.18 0.44 -0.04 0.00 -0.74 0.00 0.00 36.82 37.66 3i04 h ILE 208 CO 0.40 0.05 0.54 0.45 0.00 0.00 0.00 178.15 179.58 3i04 h HIS 209 N -1.01 1.11 0.00 1.37 3.86 -1.81 -2.59 115.15 116.08 3i04 h HIS 209 Ca -0.07 0.01 -0.07 0.00 -1.16 0.00 0.00 60.37 59.08 3i04 h HIS 209 Cb 0.62 -0.37 -0.01 0.00 1.06 0.00 0.00 27.41 28.71 3i04 h HIS 209 CO 0.01 0.73 -0.33 0.00 0.86 0.00 0.00 177.93 179.19 3i04 h ALA 210 N 1.29 1.01 -0.22 2.45 0.00 -1.78 -0.69 119.26 121.32 3i04 h ALA 210 Ca 0.31 -0.30 -0.17 0.00 0.00 0.00 0.00 54.91 54.75 3i04 h ALA 210 Cb -0.08 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 210 CO -0.06 0.41 -0.55 0.77 0.00 0.00 0.00 179.25 179.82 3i04 h SER 211 N 0.00 0.73 -0.04 0.00 0.02 -0.86 -1.19 113.55 112.21 3i04 h SER 211 Ca -0.00 -0.39 -0.00 0.00 -0.84 0.00 0.00 61.79 60.55 3i04 h SER 211 Cb 0.85 -0.21 -0.00 0.00 0.14 0.00 0.00 62.40 63.18 3i04 h SER 211 CO 0.04 1.13 0.01 0.40 -1.14 0.00 0.00 176.83 177.28 3i04 h ILE 212 N 0.50 1.16 -0.68 3.27 2.04 -1.32 -3.07 117.51 119.42 3i04 h ILE 212 Ca 0.01 -0.48 0.04 0.00 1.00 0.00 0.00 64.86 65.44 3i04 h ILE 212 Cb 1.11 1.41 -0.04 0.00 -0.74 0.00 0.00 36.82 38.56 3i04 h ILE 212 CO 0.11 0.13 0.45 -1.28 0.00 0.00 0.00 178.15 177.56 3i04 h SER 213 N -0.12 0.67 -0.29 1.72 0.87 -1.05 -2.42 113.55 112.94 3i04 h SER 213 Ca 0.01 -0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 3i04 h SER 213 Cb 0.20 -0.15 -0.01 0.00 -0.44 0.00 0.00 62.40 61.99 3i04 h SER 213 CO -0.00 0.46 0.15 -0.08 -0.53 0.00 0.00 176.83 176.82 3i04 h GLU 214 N 0.78 0.42 -0.43 2.24 4.57 -1.12 -1.00 114.58 120.04 3i04 h GLU 214 Ca 0.28 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 58.29 3i04 h GLU 214 Cb 0.13 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.62 3i04 h GLU 214 CO -0.08 0.39 -0.19 1.25 -1.18 0.00 0.00 179.01 179.20 3i04 h LEU 215 N 0.35 0.84 -0.73 1.64 5.85 -1.42 -0.82 115.31 121.02 3i04 h LEU 215 Ca 0.10 -0.29 0.06 0.00 0.84 0.00 0.00 57.88 58.59 3i04 h LEU 215 Cb 0.10 -0.23 -0.06 0.00 0.37 0.00 0.00 40.66 40.84 3i04 h LEU 215 CO -0.01 1.01 0.42 0.58 -0.34 0.00 0.00 178.44 180.10 3i04 h VAL 216 N 0.73 0.98 -0.04 1.05 2.07 -1.18 -2.04 116.25 117.83 3i04 h VAL 216 Ca 0.11 -0.26 0.03 0.00 0.82 0.00 0.00 66.70 67.40 3i04 h VAL 216 Cb 0.71 0.14 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3i04 h VAL 216 CO 0.05 0.14 -0.22 -1.13 0.02 0.00 0.00 177.57 176.43 3i04 h ASN 217 N 0.77 -0.67 -0.03 0.57 -1.24 -0.78 -2.86 115.58 111.35 3i04 h ASN 217 Ca 0.33 0.10 0.01 0.00 0.71 0.00 0.00 56.30 57.44 3i04 h ASN 217 Cb 0.20 0.28 -0.00 0.00 0.73 0.00 0.00 38.32 39.53 3i04 h ASN 217 CO -0.18 -0.29 0.05 1.56 -1.29 0.00 0.00 177.43 177.28 3i04 h GLN 218 N -0.33 0.00 0.00 6.67 4.20 -0.75 -0.11 115.11 124.79 3i04 h GLN 218 Ca 0.07 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3i04 h GLN 218 Cb 0.43 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.21 3i04 h GLN 218 CO -0.23 0.00 -0.36 0.00 -0.67 0.00 0.00 178.83 177.58 3i04 n ALA 219 N -2.22 3.14 -1.70 3.87 0.00 -0.80 -3.00 120.51 119.80 3i04 n ALA 219 Ca -0.02 -0.27 -0.39 0.00 0.00 0.00 0.00 53.44 52.77 3i04 n ALA 219 Cb 0.13 -1.23 0.04 0.00 0.00 0.00 0.00 19.45 18.39 3i04 n ALA 219 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 3i04 n HIS 220 N -1.55 1.83 -1.65 0.00 -0.00 -0.06 -4.87 115.22 108.93 3i04 n HIS 220 Ca 0.06 0.44 -0.60 0.00 -0.00 0.00 0.00 57.72 57.62 3i04 n HIS 220 Cb 0.34 -2.29 -0.08 0.00 -0.00 0.00 0.00 29.99 27.96 3i04 n HIS 220 CO 0.00 0.00 0.00 -0.12 -0.00 0.00 0.00 176.34 176.22 3i04 n MET 221 N -0.98 0.50 -2.06 1.57 0.00 -1.26 -2.73 117.12 112.15 3i04 n MET 221 Ca 0.12 0.18 -0.02 0.00 -0.00 0.00 0.00 57.70 57.98 3i04 n MET 221 Cb 0.45 -1.75 -0.00 0.00 0.00 0.00 0.00 33.22 31.92 3i04 n MET 221 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 3i04 n GLY 222 N 3.15 0.34 0.00 -5.12 0.00 -1.26 -5.01 105.19 97.29 3i04 n GLY 222 Ca 0.25 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.46 3i04 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i04 n MET 223 N -1.12 0.00 -2.74 1.61 2.00 -1.10 -5.07 117.12 110.70 3i04 n MET 223 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 57.70 57.30 3i04 n MET 223 Cb 0.51 0.00 -0.06 0.00 0.00 0.00 0.00 33.22 33.67 3i04 n MET 223 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 175.97 176.31 3i04 s ASP 224 N -0.37 7.47 -0.01 7.83 3.68 -1.16 -4.92 116.67 129.19 3i04 s ASP 224 Ca 0.00 1.93 0.01 0.00 2.13 0.00 0.00 52.55 56.62 3i04 s ASP 224 Cb 0.00 -2.60 0.02 0.00 -1.45 0.00 0.00 42.92 38.89 3i04 s ASP 224 CO 0.00 0.02 0.80 -3.20 0.13 0.00 0.00 175.17 172.93 3i04 n ASN 225 N 1.04 1.11 -4.65 -0.34 5.15 -1.26 -4.98 115.26 111.33 3i04 n ASN 225 Ca -0.00 -1.65 -0.40 0.00 -0.60 0.00 0.00 54.58 51.93 3i04 n ASN 225 Cb 0.48 -0.03 -0.07 0.00 -0.53 0.00 0.00 39.78 39.63 3i04 n ASN 225 CO 0.00 0.00 0.00 -0.62 1.40 0.00 0.00 177.26 178.04 3i04 s ASP 226 N -0.69 6.53 0.22 1.20 -1.08 -1.26 -4.85 116.67 116.74 3i04 s ASP 226 Ca 0.02 0.64 0.01 0.00 -0.52 0.00 0.00 52.55 52.70 3i04 s ASP 226 Cb 0.02 -2.29 0.19 0.00 -1.46 0.00 0.00 42.92 39.37 3i04 s ASP 226 CO 0.00 -0.23 1.53 1.55 0.52 0.00 0.00 175.17 178.55 3i04 h PRO 227 N 7.65 0.37 -0.38 4.34 0.13 -1.97 -2.00 132.00 140.15 3i04 h PRO 227 Ca -0.32 -0.25 -0.15 0.00 -0.87 0.00 0.00 66.00 64.41 3i04 h PRO 227 Cb 1.15 0.03 -0.01 0.00 0.13 0.00 0.00 31.00 32.30 3i04 h PRO 227 CO 0.74 0.85 -0.37 0.28 -0.23 0.00 0.00 178.00 179.27 3i04 h VAL 228 N 0.28 1.27 -0.45 1.56 2.07 -1.99 -1.64 116.25 117.35 3i04 h VAL 228 Ca -0.00 -1.54 -0.04 0.00 0.82 0.00 0.00 66.70 65.94 3i04 h VAL 228 Cb 1.10 1.36 -0.02 0.00 -1.52 0.00 0.00 31.29 32.22 3i04 h VAL 228 CO 0.10 0.51 0.13 -1.13 0.02 0.00 0.00 177.57 177.20 3i04 h ASN 229 N 0.75 0.67 -0.49 0.57 -1.24 -1.96 -0.36 115.58 113.52 3i04 h ASN 229 Ca 0.07 -0.22 -0.10 0.00 0.71 0.00 0.00 56.30 56.76 3i04 h ASN 229 Cb 0.95 -0.18 -0.02 0.00 0.73 0.00 0.00 38.32 39.81 3i04 h ASN 229 CO 0.09 0.71 -0.09 -0.07 -1.29 0.00 0.00 177.43 176.78 3i04 h LEU 230 N 0.60 0.94 -0.49 0.34 3.38 -1.40 -1.99 115.31 116.69 3i04 h LEU 230 Ca 0.14 -0.35 -0.16 0.00 0.09 0.00 0.00 57.88 57.60 3i04 h LEU 230 Cb 0.29 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3i04 h LEU 230 CO -0.00 1.07 -0.52 0.58 0.09 0.00 0.00 178.44 179.66 3i04 h VAL 231 N 0.79 1.31 -0.45 1.22 2.07 -1.22 -1.60 116.25 118.37 3i04 h VAL 231 Ca 0.13 -1.74 -0.05 0.00 0.82 0.00 0.00 66.70 65.86 3i04 h VAL 231 Cb 0.64 1.68 -0.02 0.00 -1.52 0.00 0.00 31.29 32.08 3i04 h VAL 231 CO 0.04 0.55 0.06 -0.26 0.02 0.00 0.00 177.57 177.98 3i04 h PHE 232 N 0.50 0.72 -0.43 1.57 -1.00 -1.04 -0.37 116.94 116.89 3i04 h PHE 232 Ca 0.02 -0.07 -0.03 0.00 2.81 0.00 0.00 57.97 60.69 3i04 h PHE 232 Cb 1.07 -0.21 -0.02 0.00 3.61 0.00 0.00 35.95 40.40 3i04 h PHE 232 CO 0.05 0.65 0.15 1.03 -1.61 0.00 0.00 178.31 178.58 3i04 h SER 233 N 0.67 0.62 -0.43 2.17 0.87 -1.15 -0.14 113.55 116.16 3i04 h SER 233 Ca 0.14 -0.19 -0.01 0.00 -1.23 0.00 0.00 61.79 60.51 3i04 h SER 233 Cb 0.33 -0.16 -0.02 0.00 -0.44 0.00 0.00 62.40 62.10 3i04 h SER 233 CO 0.01 0.65 0.25 0.00 -0.53 0.00 0.00 176.83 177.20 3i04 h ALA 234 N 1.00 1.60 -0.37 6.23 0.00 -1.03 -0.62 119.26 126.07 3i04 h ALA 234 Ca 0.14 -0.07 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3i04 h ALA 234 Cb 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 3i04 h ALA 234 CO -0.01 0.34 -0.25 0.82 0.00 0.00 0.00 179.25 180.16 3i04 h ILE 235 N 0.62 1.27 -0.65 0.00 2.04 -0.74 -0.02 117.51 120.04 3i04 h ILE 235 Ca 0.16 -1.36 -0.09 0.00 1.00 0.00 0.00 64.86 64.57 3i04 h ILE 235 Cb 0.01 1.26 -0.02 0.00 -0.74 0.00 0.00 36.82 37.32 3i04 h ILE 235 CO -0.03 0.45 0.06 -0.09 0.00 0.00 0.00 178.15 178.54 3i04 h ARG 236 N 0.64 1.10 -0.63 2.37 2.43 -0.46 -1.75 114.38 118.07 3i04 h ARG 236 Ca 0.09 -0.32 -0.09 0.00 -0.81 0.00 0.00 59.98 58.84 3i04 h ARG 236 Cb 0.75 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 3i04 h ARG 236 CO 0.06 1.03 0.04 0.28 -1.51 0.00 0.00 179.97 179.87 3i04 h VAL 237 N 1.02 1.27 -0.07 0.20 2.07 -0.86 -2.00 116.25 117.87 3i04 h VAL 237 Ca 0.19 -1.12 -0.07 0.00 0.82 0.00 0.00 66.70 66.53 3i04 h VAL 237 Cb 0.50 0.73 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3i04 h VAL 237 CO 0.02 0.41 -0.26 0.00 0.02 0.00 0.00 177.57 177.77 3i04 h ALA 238 N 1.02 1.44 0.00 1.67 0.00 -0.79 0.62 119.26 123.22 3i04 h ALA 238 Ca 0.18 -0.27 -0.16 0.00 0.00 0.00 0.00 54.91 54.67 3i04 h ALA 238 Cb 0.52 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i04 h ALA 238 CO 0.02 0.40 -0.75 -0.07 0.00 0.00 0.00 179.25 178.86 3i04 h LEU 239 N 0.12 0.00 -0.52 0.00 3.38 -1.11 -0.44 115.31 116.73 3i04 h LEU 239 Ca 0.02 0.00 -0.09 0.00 0.09 0.00 0.00 57.88 57.90 3i04 h LEU 239 Cb 0.52 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 41.25 3i04 h LEU 239 CO 0.04 0.75 -0.01 0.00 0.09 0.00 0.00 178.44 179.30 3i04 h ALA 240 N 1.25 0.70 0.38 1.53 0.00 -0.81 -0.46 119.26 121.85 3i04 h ALA 240 Ca -0.01 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3i04 h ALA 240 Cb 1.44 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 3i04 h ALA 240 CO 0.10 0.53 -0.30 0.22 0.00 0.00 0.00 179.25 179.80 3i04 h ASP 241 N 0.79 -0.77 -0.67 0.00 -0.00 -0.48 -1.47 116.42 113.83 3i04 h ASP 241 Ca 0.15 0.06 0.14 0.00 -0.00 0.00 0.00 57.03 57.37 3i04 h ASP 241 Cb 0.54 0.25 -0.10 0.00 -0.00 0.00 0.00 39.33 40.02 3i04 h ASP 241 CO 0.03 -0.44 0.15 0.22 -0.00 0.00 0.00 179.24 179.19 3i04 h TYR 242 N -0.68 0.23 -0.42 0.28 3.20 -1.09 -0.93 116.97 117.56 3i04 h TYR 242 Ca -0.03 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.93 3i04 h TYR 242 Cb 0.59 0.00 -0.05 0.00 1.54 0.00 0.00 36.73 38.81 3i04 h TYR 242 CO -0.14 -0.06 0.15 1.15 -1.64 0.00 0.00 178.16 177.62 3i04 h THR 243 N 0.26 0.87 -0.63 1.81 2.02 -0.72 -1.94 112.91 114.58 3i04 h THR 243 Ca 0.36 -0.11 -0.03 0.00 0.77 0.00 0.00 66.41 67.41 3i04 h THR 243 Cb 0.58 0.53 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 3i04 h THR 243 CO -0.46 0.06 0.29 1.23 0.37 0.00 0.00 175.52 177.01 3i04 h GLY 244 N 0.32 0.96 0.98 2.16 0.00 -0.43 -2.33 103.07 104.72 3i04 h GLY 244 Ca 0.20 -0.46 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 3i04 h GLY 244 CO -0.20 0.44 0.22 0.83 0.00 0.00 0.00 176.54 177.84 3i04 h GLU 245 N 0.89 0.77 -0.29 4.80 5.08 -0.94 -1.07 114.58 123.81 3i04 h GLU 245 Ca 0.22 -0.13 -0.13 0.00 -1.00 0.00 0.00 59.36 58.32 3i04 h GLU 245 Cb 0.11 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3i04 h GLU 245 CO -0.03 0.66 -0.35 1.25 -1.00 0.00 0.00 179.01 179.54 3i04 h HIS 246 N 0.70 0.77 -0.01 4.33 2.76 -1.18 0.72 115.15 123.24 3i04 h HIS 246 Ca 0.18 -0.21 0.01 0.00 -2.20 0.00 0.00 60.37 58.14 3i04 h HIS 246 Cb 0.17 -0.17 -0.01 0.00 1.55 0.00 0.00 27.41 28.95 3i04 h HIS 246 CO 0.00 0.92 -0.02 0.82 -1.30 0.00 0.00 177.93 178.35 3i04 h ILE 247 N 0.55 0.95 -0.38 6.26 2.04 -1.30 -1.39 117.51 124.24 3i04 h ILE 247 Ca 0.06 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 3i04 h ILE 247 Cb 0.86 0.95 -0.05 0.00 -0.74 0.00 0.00 36.82 37.85 3i04 h ILE 247 CO 0.07 0.00 0.08 0.00 0.00 0.00 0.00 178.15 178.31 3i04 h ALA 248 N 0.98 0.41 0.02 1.87 0.00 -0.62 -1.49 119.26 120.44 3i04 h ALA 248 Ca 0.01 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 248 Cb 0.04 0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 248 CO -0.03 -0.32 -0.01 1.15 0.00 0.00 0.00 179.25 180.04 3i04 h THR 249 N 0.21 1.22 -0.59 0.00 2.02 -0.81 -0.92 112.91 114.04 3i04 h THR 249 Ca 0.18 -0.72 0.12 0.00 0.77 0.00 0.00 66.41 66.75 3i04 h THR 249 Cb 0.21 1.70 -0.11 0.00 -1.74 0.00 0.00 68.15 68.20 3i04 h THR 249 CO -0.23 0.19 -0.18 0.44 0.37 0.00 0.00 175.52 176.11 3i04 h ASP 250 N -0.34 -0.64 0.73 4.18 3.32 -1.17 -1.63 116.42 120.88 3i04 h ASP 250 Ca -0.00 0.19 -0.23 0.00 0.02 0.00 0.00 57.03 57.01 3i04 h ASP 250 Cb 0.32 0.40 -0.01 0.00 0.22 0.00 0.00 39.33 40.26 3i04 h ASP 250 CO 0.00 -0.22 -1.04 -0.26 -1.72 0.00 0.00 179.24 176.00 3i04 h PHE 251 N -0.03 0.27 -0.98 4.55 -1.00 -1.20 -1.88 116.94 116.67 3i04 h PHE 251 Ca 0.28 -0.18 0.01 0.00 2.81 0.00 0.00 57.97 60.89 3i04 h PHE 251 Cb 0.46 -0.02 -0.05 0.00 3.61 0.00 0.00 35.95 39.95 3i04 h PHE 251 CO -0.51 1.09 0.64 0.77 -1.61 0.00 0.00 178.31 178.69 3i04 h SER 252 N 0.06 1.13 -0.29 2.17 0.02 -1.02 0.79 113.55 116.42 3i04 h SER 252 Ca -0.06 -0.03 -0.19 0.00 -0.84 0.00 0.00 61.79 60.67 3i04 h SER 252 Cb 1.75 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 64.01 3i04 h SER 252 CO 0.16 0.82 -0.54 0.44 -1.14 0.00 0.00 176.83 176.57 3i04 h ASP 253 N 1.33 0.98 -0.48 3.07 3.32 -1.19 -0.04 116.42 123.42 3i04 h ASP 253 Ca 0.36 -0.53 -0.01 0.00 0.02 0.00 0.00 57.03 56.87 3i04 h ASP 253 Cb -0.14 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.10 3i04 h ASP 253 CO -0.08 1.33 0.27 0.40 -1.72 0.00 0.00 179.24 179.44 3i04 h ILE 254 N 0.67 1.16 0.00 0.35 2.04 -1.15 0.81 117.51 121.39 3i04 h ILE 254 Ca 0.01 -0.41 -0.16 0.00 1.00 0.00 0.00 64.86 65.31 3i04 h ILE 254 Cb 1.16 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.78 3i04 h ILE 254 CO 0.12 0.17 -0.78 -0.07 0.00 0.00 0.00 178.15 177.59 3i04 h LEU 255 N 0.63 0.00 0.00 1.44 3.38 -0.80 -0.87 115.31 119.09 3i04 h LEU 255 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i04 h LEU 255 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3i04 h LEU 255 CO -0.03 0.78 -0.05 0.49 0.09 0.00 0.00 178.44 179.72 3i04 n PHE 256 N -3.56 0.00 0.00 1.13 0.99 -0.03 -3.91 117.46 112.07 3i04 n PHE 256 Ca -0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i04 n PHE 256 Cb 0.76 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.24 3i04 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i04 n GLY 257 N 0.84 2.38 3.71 1.37 0.00 0.27 -4.98 105.19 108.78 3i04 n GLY 257 Ca 0.00 -1.60 -0.42 0.00 0.00 0.00 0.00 46.02 44.00 3i04 n GLY 257 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3i04 s THR 258 N -1.19 3.00 0.35 2.61 2.01 -1.20 -4.51 115.64 116.71 3i04 s THR 258 Ca 0.00 0.66 -0.27 0.00 0.31 0.00 0.00 61.69 62.39 3i04 s THR 258 Cb 0.00 -3.42 -0.12 0.00 0.01 0.00 0.00 72.50 68.96 3i04 s THR 258 CO 0.00 0.04 1.14 -2.65 -0.69 0.00 0.00 174.62 172.46 3i04 n PRO 259 N 4.36 1.70 -4.37 4.92 -0.02 -1.26 -5.03 135.00 135.30 3i04 n PRO 259 Ca 0.13 0.60 -0.22 0.00 -2.02 0.00 0.00 63.50 62.00 3i04 n PRO 259 Cb 0.40 -2.12 -0.11 0.00 -0.02 0.00 0.00 33.50 31.66 3i04 n PRO 259 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 3i04 s GLN 260 N -1.83 1.37 0.18 -0.52 -1.52 -1.21 -4.07 119.66 112.07 3i04 s GLN 260 Ca 0.58 -1.52 -0.33 0.00 -1.95 0.00 0.00 55.36 52.14 3i04 s GLN 260 Cb -0.60 -1.39 -0.15 0.00 -0.22 0.00 0.00 33.01 30.65 3i04 s GLN 260 CO 0.60 0.27 1.23 -2.30 -0.25 0.00 0.00 175.29 174.84 3i04 n PRO 261 N -0.04 1.35 -3.85 2.91 -0.02 -1.18 -4.36 135.00 129.82 3i04 n PRO 261 Ca -0.10 0.48 -0.12 0.00 -2.02 0.00 0.00 63.50 61.74 3i04 n PRO 261 Cb 0.58 -2.03 -0.11 0.00 -0.02 0.00 0.00 33.50 31.92 3i04 n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i04 s VAL 262 N -0.09 0.04 -0.20 -1.45 0.11 -0.40 -4.95 120.40 113.46 3i04 s VAL 262 Ca 0.73 -0.31 -0.09 0.00 -2.93 0.00 0.00 61.98 59.38 3i04 s VAL 262 Cb -0.82 -0.31 -0.05 0.00 -1.53 0.00 0.00 36.38 33.68 3i04 s VAL 262 CO 0.51 -0.17 0.11 -0.69 -3.33 0.00 0.00 175.10 171.52 3i04 s VAL 263 N -0.57 5.15 0.00 2.04 1.01 -1.26 -1.34 120.40 125.43 3i04 s VAL 263 Ca -0.07 0.10 0.00 0.00 0.00 0.00 0.00 61.98 62.01 3i04 s VAL 263 Cb -0.04 -3.35 0.00 0.00 0.00 0.00 0.00 36.38 32.99 3i04 s VAL 263 CO 0.01 0.44 0.00 -0.24 0.00 0.00 0.00 175.10 175.30 3i04 n SER 264 N 3.64 0.00 -4.13 3.32 2.88 -0.17 -4.87 113.62 114.29 3i04 n SER 264 Ca -0.16 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 3i04 n SER 264 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3i04 n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i04 s GLU 265 N 1.18 1.35 -0.02 -1.46 2.02 -1.26 -1.17 118.70 119.33 3i04 s GLU 265 Ca 0.00 -1.73 -0.17 0.00 0.02 0.00 0.00 54.97 53.09 3i04 s GLU 265 Cb 0.00 0.11 0.03 0.00 0.10 0.00 0.00 34.13 34.36 3i04 s GLU 265 CO 0.00 -0.40 0.36 0.00 0.02 0.00 0.00 175.26 175.24 3i04 s ALA 266 N -3.94 -0.90 0.00 5.21 0.00 -0.52 -2.34 121.76 119.27 3i04 s ALA 266 Ca 0.38 0.47 0.00 0.00 0.00 0.00 0.00 51.96 52.82 3i04 s ALA 266 Cb 0.07 0.04 0.00 0.00 0.00 0.00 0.00 23.12 23.22 3i04 s ALA 266 CO 0.14 -0.27 0.00 -1.71 0.00 0.00 0.00 175.76 173.93 3i04 n ASN 267 N 1.31 0.00 0.26 0.00 2.85 0.33 -0.77 115.26 119.24 3i04 n ASN 267 Ca -0.21 0.00 0.18 0.00 -0.11 0.00 0.00 54.58 54.44 3i04 n ASN 267 Cb 0.56 0.00 0.87 0.00 1.24 0.00 0.00 39.78 42.46 3i04 n ASN 267 CO 0.00 0.00 0.00 0.24 -2.11 0.00 0.00 177.26 175.39 3i04 h MET 268 N 0.00 0.00 0.00 1.20 2.86 -1.41 -1.81 114.93 115.77 3i04 h MET 268 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 3i04 h MET 268 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 3i04 h MET 268 CO 0.00 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.38 3i04 n GLY 269 N -0.70 -0.68 0.27 8.32 0.00 0.37 -1.67 105.19 111.10 3i04 n GLY 269 Ca -0.01 -0.03 0.16 0.00 0.00 0.00 0.00 46.02 46.15 3i04 n GLY 269 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i04 h VAL 270 N 0.00 0.06 -4.13 1.61 -1.51 -1.55 -3.45 116.25 107.27 3i04 h VAL 270 Ca 0.00 -0.60 -0.52 0.00 -1.23 0.00 0.00 66.70 64.35 3i04 h VAL 270 Cb 0.10 1.56 0.11 0.00 -2.13 0.00 0.00 31.29 30.93 3i04 h VAL 270 CO 0.00 0.02 0.43 -0.76 -1.23 0.00 0.00 177.57 176.03 3i04 s LEU 271 N -6.25 3.56 -0.10 4.19 1.43 -0.67 -5.04 118.68 115.80 3i04 s LEU 271 Ca 0.01 2.25 -0.02 0.00 -1.03 0.00 0.00 54.13 55.35 3i04 s LEU 271 Cb 0.09 -4.58 0.03 0.00 0.03 0.00 0.00 46.19 41.76 3i04 s LEU 271 CO 0.56 -1.64 -0.00 -0.62 0.23 0.00 0.00 176.35 174.88 3i04 s ASP 272 N -1.94 1.90 0.60 2.29 -1.08 -1.26 -5.03 116.67 112.14 3i04 s ASP 272 Ca 0.73 -0.25 0.37 0.00 -0.52 0.00 0.00 52.55 52.88 3i04 s ASP 272 Cb -0.26 -0.51 1.87 0.00 -1.46 0.00 0.00 42.92 42.55 3i04 s ASP 272 CO 0.36 -0.21 2.19 1.55 0.52 0.00 0.00 175.17 179.58 3i04 h PRO 273 N 8.30 0.00 -0.57 4.34 0.13 -1.96 -1.49 132.00 140.74 3i04 h PRO 273 Ca -0.20 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.93 3i04 h PRO 273 Cb 1.12 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3i04 h PRO 273 CO 0.29 0.03 0.00 -0.25 -0.23 0.00 0.00 178.00 177.84 3i04 n ASP 274 N -3.26 3.73 -4.74 1.44 8.00 -1.26 -4.92 116.55 115.53 3i04 n ASP 274 Ca -0.02 -2.00 -0.23 0.00 0.71 0.00 0.00 54.79 53.26 3i04 n ASP 274 Cb 0.18 -0.38 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 3i04 n ASP 274 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 3i04 s GLN 275 N -1.22 2.46 -0.42 -1.24 -0.21 -0.56 -0.78 119.66 117.68 3i04 s GLN 275 Ca 0.44 -1.45 -0.29 0.00 0.02 0.00 0.00 55.36 54.08 3i04 s GLN 275 Cb 0.24 -2.25 0.01 0.00 1.00 0.00 0.00 33.01 32.01 3i04 s GLN 275 CO 0.32 0.17 1.37 0.08 -2.12 0.00 0.00 175.29 175.12 3i04 s VAL 276 N -2.37 3.95 -0.40 1.09 1.01 -0.41 -4.87 120.40 118.40 3i04 s VAL 276 Ca 0.37 0.97 -0.21 0.00 0.00 0.00 0.00 61.98 63.10 3i04 s VAL 276 Cb -0.04 -4.26 0.01 0.00 0.00 0.00 0.00 36.38 32.10 3i04 s VAL 276 CO 0.23 -0.78 0.69 0.20 0.00 0.00 0.00 175.10 175.43 3i04 s ASN 277 N 3.71 6.41 -0.28 3.32 0.01 -1.26 -0.10 114.94 126.75 3i04 s ASN 277 Ca 0.59 -0.01 -0.02 0.00 -0.71 0.00 0.00 52.86 52.72 3i04 s ASN 277 Cb -0.13 -2.34 0.04 0.00 0.41 0.00 0.00 41.25 39.23 3i04 s ASN 277 CO 0.32 -0.72 -0.02 0.12 -1.51 0.00 0.00 177.10 175.29 3i04 s PHE 278 N 2.90 3.19 -0.12 2.20 5.36 -0.52 -0.90 117.98 130.09 3i04 s PHE 278 Ca 0.26 -1.71 -0.18 0.00 -0.96 0.00 0.00 56.93 54.33 3i04 s PHE 278 Cb -0.14 -2.10 -0.04 0.00 -0.34 0.00 0.00 43.02 40.41 3i04 s PHE 278 CO 0.18 -0.77 0.48 0.08 -1.46 0.00 0.00 175.22 173.73 3i04 s VAL 279 N 1.29 5.18 -0.36 3.12 1.01 0.40 -1.57 120.40 129.48 3i04 s VAL 279 Ca -0.03 0.96 -0.13 0.00 0.00 0.00 0.00 61.98 62.78 3i04 s VAL 279 Cb -0.19 -3.82 -0.00 0.00 0.00 0.00 0.00 36.38 32.37 3i04 s VAL 279 CO -0.02 0.32 0.26 -0.76 0.00 0.00 0.00 175.10 174.89 3i04 s LEU 280 N 0.69 4.71 0.06 3.92 1.43 0.20 -1.50 118.68 128.19 3i04 s LEU 280 Ca 0.26 -0.60 0.05 0.00 -1.03 0.00 0.00 54.13 52.81 3i04 s LEU 280 Cb -0.15 -2.14 -0.03 0.00 0.03 0.00 0.00 46.19 43.90 3i04 s LEU 280 CO 0.10 -0.31 -0.14 -2.28 0.23 0.00 0.00 176.35 173.96 3i04 s HIS 281 N 1.70 1.17 0.00 0.29 2.46 -0.96 -0.97 115.29 118.98 3i04 s HIS 281 Ca 0.06 -0.43 0.00 0.00 0.47 0.00 0.00 55.06 55.15 3i04 s HIS 281 Cb -0.18 -0.67 0.00 0.00 -0.13 0.00 0.00 32.58 31.60 3i04 s HIS 281 CO 0.10 0.04 0.00 0.41 -2.47 0.00 0.00 174.74 172.82 3i04 n GLY 282 N 1.46 0.12 0.00 1.59 0.00 -1.25 -3.00 105.19 104.11 3i04 n GLY 282 Ca -0.20 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.16 3i04 n GLY 282 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3i04 n HIS 283 N 0.00 0.00 -3.62 1.61 8.25 -1.16 -1.59 115.22 118.70 3i04 n HIS 283 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 57.72 57.07 3i04 n HIS 283 Cb 0.00 0.00 -0.11 0.00 1.12 0.00 0.00 29.99 31.00 3i04 n HIS 283 CO 0.00 0.00 0.00 1.21 0.64 0.00 0.00 176.34 178.19 3i04 s ASN 284 N -0.76 5.67 0.00 0.41 3.04 -1.26 -4.08 114.94 117.95 3i04 s ASN 284 Ca 0.00 -0.60 0.13 0.00 0.04 0.00 0.00 52.86 52.43 3i04 s ASN 284 Cb 0.00 -2.03 0.71 0.00 -1.54 0.00 0.00 41.25 38.39 3i04 s ASN 284 CO 0.00 -0.24 1.28 -0.81 -3.04 0.00 0.00 177.10 174.29 3i04 n PRO 285 N 5.01 0.28 0.27 0.43 -0.04 -1.26 -1.77 135.00 137.91 3i04 n PRO 285 Ca -0.13 0.10 0.10 0.00 -0.04 0.00 0.00 63.50 63.53 3i04 n PRO 285 Cb 0.49 -1.50 0.73 0.00 -0.04 0.00 0.00 33.50 33.18 3i04 n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i04 h LEU 286 N 0.00 0.00 0.00 1.53 3.38 -2.00 -1.21 115.31 117.02 3i04 h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 286 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3i04 h LEU 286 CO 0.00 0.02 -0.31 0.25 0.09 0.00 0.00 178.44 178.49 3i04 h LEU 287 N 0.00 0.00 -1.39 1.67 5.85 -1.78 -3.39 115.31 116.28 3i04 h LEU 287 Ca -0.00 0.00 0.07 0.00 0.84 0.00 0.00 57.88 58.79 3i04 h LEU 287 Cb 0.04 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.03 3i04 h LEU 287 CO 0.00 0.53 0.47 0.77 -0.34 0.00 0.00 178.44 179.88 3i04 h SER 288 N -0.75 0.65 -0.20 1.25 4.64 -1.55 -1.28 113.55 116.32 3i04 h SER 288 Ca 0.00 0.00 -0.10 0.00 -0.47 0.00 0.00 61.79 61.23 3i04 h SER 288 Cb 0.31 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3i04 h SER 288 CO 0.00 0.42 -0.19 -0.33 -0.87 0.00 0.00 176.83 175.85 3i04 h GLU 289 N 0.74 0.64 -0.24 4.77 4.39 -1.47 -1.55 114.58 121.85 3i04 h GLU 289 Ca 0.31 -0.23 -0.16 0.00 0.34 0.00 0.00 59.36 59.62 3i04 h GLU 289 Cb 0.29 -0.04 -0.00 0.00 -0.10 0.00 0.00 28.75 28.89 3i04 h GLU 289 CO -0.11 0.79 -0.52 0.82 -1.16 0.00 0.00 179.01 178.84 3i04 h ILE 290 N 0.57 1.30 -0.34 3.13 1.08 -1.45 -2.68 117.51 119.13 3i04 h ILE 290 Ca 0.09 -1.74 0.00 0.00 -0.39 0.00 0.00 64.86 62.83 3i04 h ILE 290 Cb 0.64 1.67 -0.02 0.00 -3.07 0.00 0.00 36.82 36.05 3i04 h ILE 290 CO 0.05 0.55 0.22 0.40 -0.69 0.00 0.00 178.15 178.68 3i04 h ILE 291 N 0.53 1.08 -0.57 -0.67 1.08 -1.14 0.13 117.51 117.95 3i04 h ILE 291 Ca 0.02 -0.16 0.11 0.00 -0.39 0.00 0.00 64.86 64.45 3i04 h ILE 291 Cb 1.08 0.59 -0.09 0.00 -3.07 0.00 0.00 36.82 35.32 3i04 h ILE 291 CO 0.11 0.08 0.03 0.58 -0.69 0.00 0.00 178.15 178.26 3i04 h VAL 292 N 0.46 0.57 0.31 1.67 2.07 -1.25 0.18 116.25 120.25 3i04 h VAL 292 Ca 0.13 -0.05 -0.02 0.00 0.82 0.00 0.00 66.70 67.58 3i04 h VAL 292 Cb -0.05 0.40 0.00 0.00 -1.52 0.00 0.00 31.29 30.13 3i04 h VAL 292 CO -0.03 0.03 -0.15 -0.61 0.02 0.00 0.00 177.57 176.83 3i04 h GLN 293 N 0.15 -0.40 -0.56 1.57 4.15 -1.09 -2.90 115.11 116.03 3i04 h GLN 293 Ca 0.30 0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.73 3i04 h GLN 293 Cb 0.46 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.22 3i04 h GLN 293 CO -0.46 -0.20 0.28 0.00 -1.93 0.00 0.00 178.83 176.51 3i04 h ALA 294 N 0.15 1.44 -0.59 3.38 0.00 -0.76 -3.11 119.26 119.77 3i04 h ALA 294 Ca -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i04 h ALA 294 Cb 0.38 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 294 CO 0.07 0.45 0.23 0.00 0.00 0.00 0.00 179.25 180.00 3i04 h ALA 295 N 1.53 0.76 -0.72 0.00 0.00 -0.46 -1.42 119.26 118.95 3i04 h ALA 295 Ca 0.20 -0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 295 Cb 0.07 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.58 3i04 h ALA 295 CO -0.03 0.39 0.48 -0.09 0.00 0.00 0.00 179.25 179.99 3i04 h ARG 296 N 0.81 0.62 0.00 0.00 2.43 -1.46 -0.21 114.38 116.58 3i04 h ARG 296 Ca 0.19 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.33 3i04 h ARG 296 Cb 0.21 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.62 3i04 h ARG 296 CO -0.01 0.41 -0.17 0.39 -1.51 0.00 0.00 179.97 179.07 3i04 n GLU 297 N -4.49 0.12 -0.35 0.20 1.02 -0.76 -4.13 120.64 112.26 3i04 n GLU 297 Ca 0.12 0.07 0.09 0.00 -0.02 0.00 0.00 57.16 57.42 3i04 n GLU 297 Cb 0.32 -1.62 0.26 0.00 -0.02 0.00 0.00 31.44 30.39 3i04 n GLU 297 CO 0.00 0.00 0.00 -1.33 1.18 0.00 0.00 177.13 176.98 3i04 n MET 298 N -1.81 2.97 -0.20 3.49 2.81 -0.10 -4.61 117.12 119.67 3i04 n MET 298 Ca 0.06 -2.49 -0.07 0.00 -1.81 0.00 0.00 57.70 53.38 3i04 n MET 298 Cb 0.38 -1.53 0.03 0.00 -0.71 0.00 0.00 33.22 31.38 3i04 n MET 298 CO 0.00 0.00 0.00 0.93 1.51 0.00 0.00 175.97 178.41 3i04 h GLU 299 N 3.28 0.82 -0.68 0.03 4.39 -1.69 -2.22 114.58 118.52 3i04 h GLU 299 Ca 0.00 -0.12 0.07 0.00 0.34 0.00 0.00 59.36 59.65 3i04 h GLU 299 Cb 1.00 -0.15 -0.10 0.00 -0.10 0.00 0.00 28.75 29.40 3i04 h GLU 299 CO 0.05 0.68 -0.55 0.78 -1.16 0.00 0.00 179.01 178.81 3i04 h GLY 300 N 0.77 -0.83 1.39 -3.84 0.00 -1.91 -1.79 103.07 96.87 3i04 h GLY 300 Ca 0.20 0.72 0.03 0.00 0.00 0.00 0.00 47.33 48.28 3i04 h GLY 300 CO -0.02 -0.06 0.33 0.83 0.00 0.00 0.00 176.54 177.62 3i04 h GLU 301 N -0.21 0.53 -0.16 4.80 5.08 -1.79 -1.26 114.58 121.57 3i04 h GLU 301 Ca 0.13 -0.03 -0.05 0.00 -1.00 0.00 0.00 59.36 58.41 3i04 h GLU 301 Cb 0.52 -0.12 -0.00 0.00 0.50 0.00 0.00 28.75 29.65 3i04 h GLU 301 CO -0.76 0.35 -0.09 0.00 -1.00 0.00 0.00 179.01 177.52 3i04 h ALA 302 N 1.71 0.22 -0.23 3.43 0.00 -0.87 -2.85 119.26 120.67 3i04 h ALA 302 Ca 0.20 -0.28 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 302 Cb 0.12 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i04 h ALA 302 CO -0.05 0.04 -0.04 0.87 0.00 0.00 0.00 179.25 180.07 3i04 h LYS 303 N 0.00 0.44 -0.27 0.00 1.57 -1.03 -1.60 116.57 115.68 3i04 h LYS 303 Ca 0.03 -0.16 0.08 0.00 -1.87 0.00 0.00 60.65 58.73 3i04 h LYS 303 Cb 0.57 -0.03 -0.01 0.00 0.08 0.00 0.00 32.23 32.84 3i04 h LYS 303 CO 0.03 0.66 0.44 0.00 -0.57 0.00 0.00 179.45 180.00 3i04 h ALA 304 N 0.76 1.86 -0.05 3.86 0.00 -1.31 0.34 119.26 124.72 3i04 h ALA 304 Ca 0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 304 Cb 0.49 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3i04 h ALA 304 CO 0.02 -0.58 0.00 0.00 0.00 0.00 0.00 179.25 178.69 3i04 n ALA 305 N -2.15 2.57 0.00 0.00 0.00 -0.67 -4.92 120.51 115.34 3i04 n ALA 305 Ca 0.04 -0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3i04 n ALA 305 Cb 0.57 -1.17 0.00 0.00 0.00 0.00 0.00 19.45 18.85 3i04 n ALA 305 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 306 N 1.15 0.46 3.88 0.00 0.00 0.12 -4.73 105.19 106.06 3i04 n GLY 306 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 3i04 n GLY 306 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ALA 307 N -2.00 3.38 -0.41 4.61 0.00 -0.82 -4.97 121.76 121.54 3i04 s ALA 307 Ca 0.00 -0.26 0.26 0.00 0.00 0.00 0.00 51.96 51.97 3i04 s ALA 307 Cb 0.00 -2.66 0.82 0.00 0.00 0.00 0.00 23.12 21.29 3i04 s ALA 307 CO 0.00 -0.01 1.76 0.87 0.00 0.00 0.00 175.76 178.38 3i04 h LYS 308 N 1.22 0.00 0.00 0.00 6.56 -1.26 -3.33 116.57 119.76 3i04 h LYS 308 Ca -0.47 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.12 3i04 h LYS 308 Cb 1.19 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 32.85 3i04 h LYS 308 CO 0.64 0.00 0.00 0.41 -2.06 0.00 0.00 179.45 178.44 3i04 n GLY 309 N 0.71 -1.68 3.52 3.86 0.00 -1.26 -4.94 105.19 105.40 3i04 n GLY 309 Ca 0.03 -1.11 -0.37 0.00 0.00 0.00 0.00 46.02 44.57 3i04 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 310 N -2.55 4.85 -0.72 -0.61 1.01 -1.26 -1.29 121.20 120.63 3i04 s ILE 310 Ca 0.00 -0.00 -0.11 0.00 0.00 0.00 0.00 60.65 60.54 3i04 s ILE 310 Cb 0.00 -3.30 0.19 0.00 0.01 0.00 0.00 42.46 39.36 3i04 s ILE 310 CO 0.00 0.28 0.62 0.21 0.00 0.00 0.00 174.94 176.05 3i04 s ASN 311 N 1.69 6.19 0.04 3.58 2.47 0.86 -4.92 114.94 124.85 3i04 s ASN 311 Ca 0.07 -2.60 -0.30 0.00 0.42 0.00 0.00 52.86 50.44 3i04 s ASN 311 Cb -0.16 -2.09 -0.05 0.00 -1.45 0.00 0.00 41.25 37.50 3i04 s ASN 311 CO 0.08 -0.55 1.22 -0.76 -3.72 0.00 0.00 177.10 173.37 3i04 s LEU 312 N 0.31 4.35 0.05 3.21 1.43 -1.26 -1.44 118.68 125.33 3i04 s LEU 312 Ca 0.15 2.00 0.00 0.00 -1.03 0.00 0.00 54.13 55.25 3i04 s LEU 312 Cb -0.16 -3.57 -0.03 0.00 0.03 0.00 0.00 46.19 42.45 3i04 s LEU 312 CO -0.06 -0.51 -0.04 0.68 0.23 0.00 0.00 176.35 176.65 3i04 s VAL 313 N 1.33 0.32 0.18 -1.59 -7.23 -0.61 -4.32 120.40 108.48 3i04 s VAL 313 Ca 0.59 -1.50 0.11 0.00 -1.81 0.00 0.00 61.98 59.37 3i04 s VAL 313 Cb -0.29 -1.10 -0.04 0.00 0.56 0.00 0.00 36.38 35.51 3i04 s VAL 313 CO 0.28 -0.76 -0.24 -0.83 -0.31 0.00 0.00 175.10 173.24 3i04 s GLY 314 N -2.39 1.68 0.03 2.32 0.00 -0.19 -0.63 107.32 108.14 3i04 s GLY 314 Ca -0.00 -1.58 0.04 0.00 0.00 0.00 0.00 44.72 43.17 3i04 s GLY 314 CO -0.05 -1.60 -0.11 -0.42 0.00 0.00 0.00 173.10 170.92 3i04 s ILE 315 N -1.51 0.87 0.00 0.90 1.01 -0.15 -1.10 121.20 121.22 3i04 s ILE 315 Ca 0.19 -0.82 0.00 0.00 0.00 0.00 0.00 60.65 60.02 3i04 s ILE 315 Cb -0.09 -0.80 0.00 0.00 0.01 0.00 0.00 42.46 41.59 3i04 s ILE 315 CO 0.09 -0.01 0.00 0.00 0.00 0.00 0.00 174.94 175.02 3i04 h THR 318 N 1.00 1.30 -0.50 0.00 1.03 -1.44 0.44 112.91 114.74 3i04 h THR 318 Ca 0.20 -1.44 -0.02 0.00 -0.01 0.00 0.00 66.41 65.14 3i04 h THR 318 Cb 0.44 1.74 -0.02 0.00 -1.07 0.00 0.00 68.15 69.24 3i04 h THR 318 CO 0.01 0.41 0.22 1.23 -0.01 0.00 0.00 175.52 177.39 3i04 h GLY 319 N 1.23 0.79 1.36 2.99 0.00 -0.96 -2.19 103.07 106.31 3i04 h GLY 319 Ca 0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 47.33 46.87 3i04 h GLY 319 CO 0.06 0.39 0.16 3.43 0.00 0.00 0.00 176.54 180.58 3i04 h ASN 320 N 0.67 0.75 -0.20 0.19 2.35 0.29 -1.48 115.58 118.15 3i04 h ASN 320 Ca 0.17 -0.12 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3i04 h ASN 320 Cb 0.17 -0.19 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3i04 h ASN 320 CO -0.02 0.72 0.12 -0.33 -1.65 0.00 0.00 177.43 176.28 3i04 h GLU 321 N 0.79 0.25 0.00 0.81 4.39 0.08 -0.54 114.58 120.35 3i04 h GLU 321 Ca 0.18 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.83 3i04 h GLU 321 Cb 0.24 -0.06 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 3i04 h GLU 321 CO -0.01 0.17 -0.20 -0.39 -1.16 0.00 0.00 179.01 177.41 3i04 h VAL 322 N 0.26 0.29 0.22 3.13 -1.51 -1.33 -2.70 116.25 114.61 3i04 h VAL 322 Ca 0.07 -1.41 -0.01 0.00 -1.23 0.00 0.00 66.70 64.12 3i04 h VAL 322 Cb -0.02 2.13 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3i04 h VAL 322 CO -0.02 0.17 -0.10 0.25 -1.23 0.00 0.00 177.57 176.63 3i04 h LEU 323 N 0.00 -0.25 -1.53 4.19 5.85 -1.10 0.87 115.31 123.34 3i04 h LEU 323 Ca -0.00 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 323 Cb 1.13 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.22 3i04 h LEU 323 CO 0.02 -0.13 -0.14 0.24 -0.34 0.00 0.00 178.44 178.09 3i04 h MET 324 N -0.35 0.12 0.00 1.25 2.86 -0.96 -1.40 114.93 116.45 3i04 h MET 324 Ca -0.03 -0.02 -0.18 0.00 -2.06 0.00 0.00 59.70 57.40 3i04 h MET 324 Cb 0.27 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 31.87 3i04 h MET 324 CO 0.05 0.27 -1.70 0.54 1.06 0.00 0.00 176.91 177.13 3i04 n ARG 325 N -4.31 2.27 0.00 1.72 1.74 -1.03 -4.18 116.66 112.88 3i04 n ARG 325 Ca -0.02 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3i04 n ARG 325 Cb 0.25 -1.26 0.00 0.00 -1.02 0.00 0.00 32.46 30.42 3i04 n ARG 325 CO 0.00 0.00 0.00 1.04 -1.52 0.00 0.00 177.63 177.15 3i04 n GLN 326 N -2.37 1.44 -1.51 5.56 1.13 0.27 -4.97 117.38 116.93 3i04 n GLN 326 Ca -0.16 -1.03 -0.17 0.00 -1.94 0.00 0.00 57.00 53.69 3i04 n GLN 326 Cb 0.82 -0.91 -0.07 0.00 0.11 0.00 0.00 30.24 30.19 3i04 n GLN 326 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i04 n GLY 327 N -0.28 1.69 3.71 1.08 0.00 -0.53 -4.92 105.19 105.94 3i04 n GLY 327 Ca 0.00 -0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.52 3i04 n GLY 327 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 328 N -2.56 3.43 0.74 -0.61 -1.09 -1.01 -4.71 121.20 115.39 3i04 s ILE 328 Ca 0.00 0.98 -0.12 0.00 -2.23 0.00 0.00 60.65 59.28 3i04 s ILE 328 Cb 0.00 -3.63 0.04 0.00 -1.58 0.00 0.00 42.46 37.30 3i04 s ILE 328 CO 0.00 0.05 1.11 -2.16 -1.23 0.00 0.00 174.94 172.71 3i04 s PRO 329 N 1.54 2.34 -0.13 2.79 0.04 -1.26 -3.81 135.00 136.52 3i04 s PRO 329 Ca 0.65 1.30 -0.17 0.00 0.04 0.00 0.00 61.00 62.81 3i04 s PRO 329 Cb -0.35 -1.90 -0.04 0.00 0.04 0.00 0.00 34.50 32.25 3i04 s PRO 329 CO 0.29 -1.59 0.43 -0.51 0.04 0.00 0.00 177.00 175.66 3i04 s LEU 330 N -5.58 4.27 -0.07 -3.56 1.43 -0.99 -1.02 118.68 113.16 3i04 s LEU 330 Ca 0.64 0.74 -0.18 0.00 -1.03 0.00 0.00 54.13 54.30 3i04 s LEU 330 Cb -0.19 -2.61 -0.30 0.00 0.03 0.00 0.00 46.19 43.12 3i04 s LEU 330 CO 0.51 0.03 0.73 1.62 0.23 0.00 0.00 176.35 179.47 3i04 h VAL 331 N 4.69 1.23 -2.21 -1.59 3.04 -1.36 0.95 116.25 121.01 3i04 h VAL 331 Ca -0.41 -2.49 0.02 0.00 -1.01 0.00 0.00 66.70 62.81 3i04 h VAL 331 Cb 1.18 2.93 -0.00 0.00 -2.01 0.00 0.00 31.29 33.39 3i04 h VAL 331 CO 0.75 0.72 0.16 1.07 -1.01 0.00 0.00 177.57 179.27 3i04 n THR 332 N -3.97 0.00 -4.17 3.17 5.66 -1.24 -2.30 114.28 111.43 3i04 n THR 332 Ca -0.20 -0.32 -0.08 0.00 -3.05 0.00 0.00 64.05 60.40 3i04 n THR 332 Cb 0.90 0.36 -0.02 0.00 -1.55 0.00 0.00 70.33 70.02 3i04 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i04 n SER 333 N -1.06 1.98 0.05 1.09 3.41 -1.26 -3.96 113.62 113.86 3i04 n SER 333 Ca -0.02 -1.55 -0.12 0.00 -0.26 0.00 0.00 58.87 56.92 3i04 n SER 333 Cb 0.23 0.13 -0.07 0.00 -0.26 0.00 0.00 64.21 64.25 3i04 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i04 h PHE 334 N 1.09 -1.15 0.00 7.33 3.57 -1.95 -3.03 116.94 122.80 3i04 h PHE 334 Ca -0.10 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.43 3i04 h PHE 334 Cb 0.31 0.50 -0.00 0.00 2.79 0.00 0.00 35.95 39.55 3i04 h PHE 334 CO 0.00 -0.43 -0.03 0.00 -2.23 0.00 0.00 178.31 175.63 3i04 h ALA 335 N -0.74 1.39 -0.35 2.41 0.00 -1.97 -2.82 119.26 117.18 3i04 h ALA 335 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 335 Cb 0.54 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.33 3i04 h ALA 335 CO -0.25 0.03 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 3i04 n SER 336 N -3.69 4.18 -0.14 0.00 3.41 -1.16 -4.69 113.62 111.55 3i04 n SER 336 Ca -0.03 -2.87 0.02 0.00 -0.26 0.00 0.00 58.87 55.73 3i04 n SER 336 Cb 0.12 -0.54 0.31 0.00 -0.26 0.00 0.00 64.21 63.83 3i04 n SER 336 CO 0.00 0.00 0.00 0.06 -0.16 0.00 0.00 175.04 174.94 3i04 h GLN 337 N 2.36 0.82 -0.10 4.33 3.07 -1.39 -1.88 115.11 122.32 3i04 h GLN 337 Ca 0.00 -0.05 -0.08 0.00 0.09 0.00 0.00 58.65 58.60 3i04 h GLN 337 Cb 1.47 -0.18 -0.01 0.00 0.08 0.00 0.00 27.48 28.84 3i04 h GLN 337 CO 0.25 0.55 -0.31 0.93 0.09 0.00 0.00 178.83 180.35 3i04 h GLU 338 N 0.85 0.19 0.00 0.06 5.08 -1.86 -3.18 114.58 115.72 3i04 h GLU 338 Ca 0.23 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 58.46 3i04 h GLU 338 Cb -0.08 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.15 3i04 h GLU 338 CO -0.05 0.49 -0.27 -0.07 -1.00 0.00 0.00 179.01 178.11 3i04 h LEU 339 N 0.17 0.00 -0.87 1.33 -0.00 -1.69 -1.99 115.31 112.27 3i04 h LEU 339 Ca 0.02 0.00 -0.03 0.00 -0.00 0.00 0.00 57.88 57.87 3i04 h LEU 339 Cb 0.63 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.25 3i04 h LEU 339 CO 0.05 0.27 0.38 0.00 -0.00 0.00 0.00 178.44 179.13 3i04 h ALA 340 N 1.73 1.11 -0.47 1.53 0.00 -1.52 -2.66 119.26 119.00 3i04 h ALA 340 Ca -0.00 -0.17 -0.09 0.00 0.00 0.00 0.00 54.91 54.65 3i04 h ALA 340 Cb 0.56 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i04 h ALA 340 CO 0.03 0.66 -0.06 0.82 0.00 0.00 0.00 179.25 180.70 3i04 h ILE 341 N 1.18 1.25 0.00 0.00 2.04 -1.48 -2.79 117.51 117.70 3i04 h ILE 341 Ca 0.28 -1.11 0.00 0.00 1.00 0.00 0.00 64.86 65.03 3i04 h ILE 341 Cb 0.14 0.96 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 3i04 h ILE 341 CO -0.03 0.39 0.00 0.00 0.00 0.00 0.00 178.15 178.50 3i04 h THR 343 N 0.00 0.17 0.00 0.00 1.35 -1.44 -3.45 112.91 109.55 3i04 h THR 343 Ca 0.00 -0.55 0.00 0.00 -0.55 0.00 0.00 66.41 65.31 3i04 h THR 343 Cb 0.06 1.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.95 3i04 h THR 343 CO 0.00 0.05 0.00 0.61 -0.25 0.00 0.00 175.52 175.93 3i04 n GLY 344 N -0.19 1.43 1.00 5.82 0.00 0.22 -0.69 105.19 112.77 3i04 n GLY 344 Ca -0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 3i04 n GLY 344 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 345 N 0.74 2.39 -2.62 4.61 0.00 -1.26 -4.79 120.51 119.57 3i04 n ALA 345 Ca 0.00 -0.98 -0.42 0.00 0.00 0.00 0.00 53.44 52.04 3i04 n ALA 345 Cb 0.00 -0.74 -0.05 0.00 0.00 0.00 0.00 19.45 18.66 3i04 n ALA 345 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3i04 s ILE 346 N -1.31 4.81 -0.04 0.00 -1.09 -1.26 -4.35 121.20 117.95 3i04 s ILE 346 Ca 0.34 1.24 -0.04 0.00 -2.23 0.00 0.00 60.65 59.96 3i04 s ILE 346 Cb 0.20 -4.13 -0.27 0.00 -1.58 0.00 0.00 42.46 36.67 3i04 s ILE 346 CO 0.27 -0.21 0.70 0.44 -1.23 0.00 0.00 174.94 174.91 3i04 h ASP 347 N 8.04 0.40 -4.25 3.58 3.32 -1.34 -3.37 116.42 122.79 3i04 h ASP 347 Ca -0.24 -0.64 -0.13 0.00 0.02 0.00 0.00 57.03 56.03 3i04 h ASP 347 Cb 1.10 -0.13 -0.23 0.00 0.22 0.00 0.00 39.33 40.29 3i04 h ASP 347 CO 0.88 1.55 -0.30 0.00 -1.72 0.00 0.00 179.24 179.65 3i04 s ALA 348 N -2.60 -0.84 -0.23 3.45 0.00 -1.13 -2.58 121.76 117.83 3i04 s ALA 348 Ca -0.13 0.76 0.02 0.00 0.00 0.00 0.00 51.96 52.61 3i04 s ALA 348 Cb 0.07 -0.34 0.05 0.00 0.00 0.00 0.00 23.12 22.89 3i04 s ALA 348 CO 0.83 -0.20 -0.11 1.41 0.00 0.00 0.00 175.76 177.69 3i04 s MET 349 N -0.34 2.22 -0.28 0.00 1.75 -0.48 -0.45 119.30 121.71 3i04 s MET 349 Ca -0.05 -1.12 -0.07 0.00 -1.25 0.00 0.00 55.69 53.19 3i04 s MET 349 Cb -0.03 -2.71 -0.01 0.00 2.84 0.00 0.00 34.83 34.92 3i04 s MET 349 CO 0.02 -0.49 0.09 0.00 -0.65 0.00 0.00 175.02 173.98 3i04 s VAL 351 N 1.56 2.98 0.00 0.00 -7.23 0.35 -2.27 120.40 115.79 3i04 s VAL 351 Ca 0.04 -1.85 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3i04 s VAL 351 Cb -0.16 -2.50 0.00 0.00 0.56 0.00 0.00 36.38 34.28 3i04 s VAL 351 CO 0.03 -0.18 0.00 -0.90 -0.31 0.00 0.00 175.10 173.75 3i04 n ASP 352 N -0.11 0.00 -3.98 4.85 5.68 -1.16 -2.57 116.55 119.25 3i04 n ASP 352 Ca -0.10 0.00 -0.09 0.00 -0.50 0.00 0.00 54.79 54.10 3i04 n ASP 352 Cb 0.56 0.00 -0.11 0.00 -1.14 0.00 0.00 41.12 40.44 3i04 n ASP 352 CO 0.00 0.00 0.00 0.68 -1.33 0.00 0.00 177.20 176.55 3i04 s VAL 353 N 0.00 0.12 0.07 2.12 -7.23 -1.26 -4.49 120.40 109.73 3i04 s VAL 353 Ca 0.00 -0.97 0.00 0.00 -1.81 0.00 0.00 61.98 59.20 3i04 s VAL 353 Cb 0.00 -0.38 0.00 0.00 0.56 0.00 0.00 36.38 36.56 3i04 s VAL 353 CO 0.00 -0.53 0.00 0.00 -0.31 0.00 0.00 175.10 174.26 3i04 n GLN 354 N 1.45 -0.78 -2.07 4.82 6.02 -1.26 -3.01 117.38 122.54 3i04 n GLN 354 Ca -0.23 0.57 -0.20 0.00 -0.01 0.00 0.00 57.00 57.13 3i04 n GLN 354 Cb 0.56 -0.64 -0.04 0.00 1.02 0.00 0.00 30.24 31.14 3i04 n GLN 354 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3i04 s ILE 356 N -2.86 5.22 -0.22 0.00 1.01 -1.26 -4.94 121.20 118.14 3i04 s ILE 356 Ca 0.00 -0.42 -0.29 0.00 0.00 0.00 0.00 60.65 59.94 3i04 s ILE 356 Cb 0.00 -3.90 -0.03 0.00 0.01 0.00 0.00 42.46 38.54 3i04 s ILE 356 CO 0.00 -0.25 1.74 -0.04 0.00 0.00 0.00 174.94 176.39 3i04 s MET 357 N 1.83 3.67 0.16 2.79 -1.94 -1.26 -4.87 119.30 119.68 3i04 s MET 357 Ca 0.08 1.74 0.19 0.00 -1.71 0.00 0.00 55.69 55.98 3i04 s MET 357 Cb -0.18 -4.11 0.81 0.00 2.01 0.00 0.00 34.83 33.36 3i04 s MET 357 CO 0.11 -1.45 1.58 -0.35 -0.01 0.00 0.00 175.02 174.90 3i04 n PRO 358 N 7.91 0.11 0.19 2.03 -0.04 -1.26 -2.01 135.00 141.93 3i04 n PRO 358 Ca 0.21 0.39 0.14 0.00 -0.04 0.00 0.00 63.50 64.19 3i04 n PRO 358 Cb 0.45 -1.73 0.68 0.00 -0.04 0.00 0.00 33.50 32.86 3i04 n PRO 358 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3i04 h SER 359 N 0.00 0.00 -0.61 3.54 4.64 -1.99 -2.58 113.55 116.55 3i04 h SER 359 Ca 0.00 0.00 0.18 0.00 -0.47 0.00 0.00 61.79 61.50 3i04 h SER 359 Cb 0.27 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.34 3i04 h SER 359 CO 0.00 0.00 0.47 0.16 -0.87 0.00 0.00 176.83 176.59 3i04 h ILE 360 N 0.00 0.60 -0.15 0.95 3.07 -1.81 0.12 117.51 120.30 3i04 h ILE 360 Ca 0.00 0.00 -0.19 0.00 1.55 0.00 0.00 64.86 66.22 3i04 h ILE 360 Cb 0.10 0.66 -0.00 0.00 -0.27 0.00 0.00 36.82 37.32 3i04 h ILE 360 CO 0.00 0.00 -0.69 0.77 -1.05 0.00 0.00 178.15 177.18 3i04 h SER 361 N 0.00 0.70 -0.23 2.16 4.64 -1.72 0.69 113.55 119.79 3i04 h SER 361 Ca 0.29 -0.43 -0.05 0.00 -0.47 0.00 0.00 61.79 61.13 3i04 h SER 361 Cb 1.23 -0.21 -0.01 0.00 -0.31 0.00 0.00 62.40 63.11 3i04 h SER 361 CO -0.00 1.19 -0.04 0.00 -0.87 0.00 0.00 176.83 177.11 3i04 h ALA 362 N 0.81 0.31 -0.03 5.18 0.00 -1.26 -2.67 119.26 121.60 3i04 h ALA 362 Ca -0.02 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.64 3i04 h ALA 362 Cb 1.27 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i04 h ALA 362 CO 0.13 0.08 0.01 0.28 0.00 0.00 0.00 179.25 179.76 3i04 h VAL 363 N 0.17 1.00 -0.02 0.00 2.07 -1.11 -2.92 116.25 115.44 3i04 h VAL 363 Ca 0.06 -0.01 0.01 0.00 0.82 0.00 0.00 66.70 67.58 3i04 h VAL 363 Cb 0.48 0.97 -0.00 0.00 -1.52 0.00 0.00 31.29 31.22 3i04 h VAL 363 CO 0.02 0.01 0.02 0.00 0.02 0.00 0.00 177.57 177.63 3i04 h ALA 364 N 1.02 1.71 0.00 1.67 0.00 -0.88 -1.94 119.26 120.84 3i04 h ALA 364 Ca 0.01 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 364 Cb 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.79 3i04 h ALA 364 CO -0.01 -0.03 -0.04 1.49 0.00 0.00 0.00 179.25 180.66 3i04 h GLU 365 N 0.00 0.00 0.00 0.00 4.81 -1.27 -2.25 114.58 115.87 3i04 h GLU 365 Ca 0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 3i04 h GLU 365 Cb 0.05 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3i04 h GLU 365 CO -0.00 0.04 -0.25 0.00 -0.73 0.00 0.00 179.01 178.07 3i04 n TYR 367 N -3.19 -0.17 -0.60 0.00 4.02 -0.85 -5.03 117.16 111.34 3i04 n TYR 367 Ca 0.03 0.00 0.09 0.00 -0.01 0.00 0.00 57.90 58.00 3i04 n TYR 367 Cb 0.60 0.00 0.36 0.00 -0.02 0.00 0.00 39.34 40.28 3i04 n TYR 367 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 3i04 n HIS 368 N -0.06 1.57 -2.56 -0.72 8.25 -1.26 -4.99 115.22 115.46 3i04 n HIS 368 Ca 0.00 -0.61 -0.41 0.00 -0.26 0.00 0.00 57.72 56.44 3i04 n HIS 368 Cb 0.00 -0.29 -0.04 0.00 1.12 0.00 0.00 29.99 30.78 3i04 n HIS 368 CO 0.00 0.00 0.00 0.99 0.64 0.00 0.00 176.34 177.97 3i04 s THR 369 N -1.99 4.00 -0.24 1.59 2.01 -1.21 -4.89 115.64 114.92 3i04 s THR 369 Ca 0.51 1.71 -0.18 0.00 0.31 0.00 0.00 61.69 64.04 3i04 s THR 369 Cb 0.34 -4.09 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 3i04 s THR 369 CO 0.23 0.28 0.49 -0.13 -0.69 0.00 0.00 174.62 174.81 3i04 s ARG 370 N -0.25 4.12 -0.08 4.92 1.81 -1.07 -4.69 118.95 123.71 3i04 s ARG 370 Ca 0.49 0.32 -0.20 0.00 -1.72 0.00 0.00 55.73 54.63 3i04 s ARG 370 Cb -0.28 -3.61 -0.04 0.00 -0.45 0.00 0.00 34.95 30.56 3i04 s ARG 370 CO 0.34 -0.25 0.54 0.42 -0.68 0.00 0.00 175.30 175.67 3i04 s ILE 371 N 1.97 5.09 -0.22 1.52 -1.09 -1.26 -1.38 121.20 125.83 3i04 s ILE 371 Ca 0.21 1.11 0.01 0.00 -2.23 0.00 0.00 60.65 59.76 3i04 s ILE 371 Cb -0.15 -3.88 0.05 0.00 -1.58 0.00 0.00 42.46 36.89 3i04 s ILE 371 CO 0.09 0.34 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.43 3i04 s ILE 372 N 0.40 1.64 0.43 2.92 1.01 -0.10 -1.33 121.20 126.16 3i04 s ILE 372 Ca 0.29 -1.14 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 3i04 s ILE 372 Cb -0.16 -1.79 -0.06 0.00 0.01 0.00 0.00 42.46 40.46 3i04 s ILE 372 CO 0.14 0.04 0.77 0.42 0.00 0.00 0.00 174.94 176.31 3i04 s THR 373 N 1.37 4.82 0.00 2.92 -4.23 0.13 -0.50 115.64 120.16 3i04 s THR 373 Ca -0.04 0.50 0.00 0.00 -1.18 0.00 0.00 61.69 60.97 3i04 s THR 373 Cb -0.18 -3.77 0.00 0.00 1.34 0.00 0.00 72.50 69.89 3i04 s THR 373 CO -0.07 -0.62 0.00 0.35 -0.54 0.00 0.00 174.62 173.74 3i04 n THR 374 N -1.57 0.00 -4.18 3.99 -2.24 -1.06 -0.88 114.28 108.34 3i04 n THR 374 Ca 0.02 -0.03 -0.36 0.00 -2.27 0.00 0.00 64.05 61.41 3i04 n THR 374 Cb 0.54 0.52 -0.08 0.00 -2.10 0.00 0.00 70.33 69.21 3i04 n THR 374 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 s ALA 375 N -0.18 3.52 -0.49 6.98 0.00 -1.26 -2.04 121.76 128.28 3i04 s ALA 375 Ca 0.00 -0.74 0.23 0.00 0.00 0.00 0.00 51.96 51.45 3i04 s ALA 375 Cb 0.00 -1.67 0.98 0.00 0.00 0.00 0.00 23.12 22.42 3i04 s ALA 375 CO 0.00 0.60 1.71 -0.40 0.00 0.00 0.00 175.76 177.67 3i04 n ASP 376 N 2.06 0.66 -0.80 0.00 5.68 -1.26 -2.82 116.55 120.07 3i04 n ASP 376 Ca -0.19 0.66 0.07 0.00 -0.50 0.00 0.00 54.79 54.83 3i04 n ASP 376 Cb 0.54 -0.80 0.20 0.00 -1.14 0.00 0.00 41.12 39.92 3i04 n ASP 376 CO 0.00 0.00 0.00 -0.46 -1.33 0.00 0.00 177.20 175.41 3i04 n ASN 377 N -2.23 3.28 -3.40 -1.12 0.23 -1.26 -4.78 115.26 105.98 3i04 n ASN 377 Ca 0.02 -2.19 -0.22 0.00 -0.53 0.00 0.00 54.58 51.66 3i04 n ASN 377 Cb 0.23 -0.32 -0.09 0.00 -2.08 0.00 0.00 39.78 37.51 3i04 n ASN 377 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 3i04 s ALA 378 N -1.34 0.14 0.25 -2.53 0.00 -1.13 -5.06 121.76 112.09 3i04 s ALA 378 Ca 0.30 -1.37 0.09 0.00 0.00 0.00 0.00 51.96 50.99 3i04 s ALA 378 Cb 0.18 -1.87 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 3i04 s ALA 378 CO 0.17 -2.14 -0.03 0.15 0.00 0.00 0.00 175.76 173.91 3i04 s LYS 379 N 1.26 2.22 -0.18 0.00 1.02 -1.26 -4.42 119.74 118.38 3i04 s LYS 379 Ca 0.18 -1.40 -0.05 0.00 0.02 0.00 0.00 55.97 54.72 3i04 s LYS 379 Cb -0.19 -2.15 0.07 0.00 -0.52 0.00 0.00 37.83 35.05 3i04 s LYS 379 CO -0.01 0.38 0.12 0.42 -0.92 0.00 0.00 175.35 175.34 3i04 s ILE 380 N -2.19 -0.14 0.49 2.17 1.01 -1.26 -5.11 121.20 116.17 3i04 s ILE 380 Ca 0.30 -0.17 -0.23 0.00 0.00 0.00 0.00 60.65 60.55 3i04 s ILE 380 Cb -0.07 -0.61 -0.08 0.00 0.01 0.00 0.00 42.46 41.71 3i04 s ILE 380 CO 0.19 -0.28 1.10 -2.65 0.00 0.00 0.00 174.94 173.29 3i04 n PRO 381 N 5.29 1.40 0.00 2.79 -0.02 -1.26 -1.76 135.00 141.44 3i04 n PRO 381 Ca -0.07 0.51 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3i04 n PRO 381 Cb 0.49 -2.22 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 3i04 n PRO 381 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3i04 n GLY 382 N 1.07 3.06 3.88 -1.23 0.00 -1.26 -4.87 105.19 105.84 3i04 n GLY 382 Ca 0.10 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.77 3i04 n GLY 382 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ALA 383 N -1.60 3.84 0.38 4.61 0.00 -0.72 -4.88 121.76 123.39 3i04 s ALA 383 Ca 0.00 -0.55 -0.28 0.00 0.00 0.00 0.00 51.96 51.13 3i04 s ALA 383 Cb 0.00 -2.08 -0.11 0.00 0.00 0.00 0.00 23.12 20.93 3i04 s ALA 383 CO 0.00 0.63 1.48 0.66 0.00 0.00 0.00 175.76 178.53 3i04 n TYR 384 N 1.34 2.97 -4.52 0.00 0.53 -0.44 -4.81 117.16 112.22 3i04 n TYR 384 Ca -0.13 0.45 -0.33 0.00 -1.02 0.00 0.00 57.90 56.86 3i04 n TYR 384 Cb 0.53 -2.53 -0.16 0.00 -1.03 0.00 0.00 39.34 36.16 3i04 n TYR 384 CO 0.00 0.00 0.00 -1.58 -1.02 0.00 0.00 176.86 174.26 3i04 s HIS 385 N -1.13 2.76 -0.22 -0.72 5.65 -1.26 0.21 115.29 120.59 3i04 s HIS 385 Ca 0.54 -1.14 -0.05 0.00 0.25 0.00 0.00 55.06 54.66 3i04 s HIS 385 Cb -0.47 -1.88 -0.02 0.00 -1.18 0.00 0.00 32.58 29.03 3i04 s HIS 385 CO 0.63 -0.53 0.00 0.42 -0.65 0.00 0.00 174.74 174.62 3i04 s ILE 386 N 0.86 3.84 -0.89 0.89 1.01 -0.06 -4.98 121.20 121.87 3i04 s ILE 386 Ca -0.05 -0.34 -0.24 0.00 0.00 0.00 0.00 60.65 60.02 3i04 s ILE 386 Cb -0.15 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.53 3i04 s ILE 386 CO -0.01 0.40 1.85 -0.62 0.00 0.00 0.00 174.94 176.55 3i04 s ASP 387 N 1.36 5.39 -0.11 3.58 2.15 -1.26 -4.00 116.67 123.79 3i04 s ASP 387 Ca 0.04 -0.71 -0.23 0.00 0.43 0.00 0.00 52.55 52.08 3i04 s ASP 387 Cb -0.15 -2.56 -0.03 0.00 -0.30 0.00 0.00 42.92 39.89 3i04 s ASP 387 CO 0.01 -2.49 0.72 -0.47 -0.17 0.00 0.00 175.17 172.76 3i04 s TYR 388 N 9.08 3.52 0.01 -5.34 5.04 -0.87 -5.03 117.35 123.75 3i04 s TYR 388 Ca 0.65 1.21 0.04 0.00 -2.44 0.00 0.00 57.07 56.53 3i04 s TYR 388 Cb -0.06 -2.85 -0.01 0.00 0.35 0.00 0.00 41.96 39.38 3i04 s TYR 388 CO -0.00 -0.02 -0.13 -0.65 -1.34 0.00 0.00 175.55 173.41 3i04 s GLN 389 N 1.25 0.97 0.51 4.97 -0.21 -1.26 -4.90 119.66 120.99 3i04 s GLN 389 Ca 0.37 -0.55 0.16 0.00 0.02 0.00 0.00 55.36 55.36 3i04 s GLN 389 Cb -0.17 -0.95 1.25 0.00 1.00 0.00 0.00 33.01 34.14 3i04 s GLN 389 CO 0.16 0.25 2.14 1.79 -2.12 0.00 0.00 175.29 177.51 3i04 h THR 390 N 4.72 0.99 -0.39 -0.19 1.35 -1.96 -1.74 112.91 115.70 3i04 h THR 390 Ca -0.35 -0.01 -0.03 0.00 -0.55 0.00 0.00 66.41 65.47 3i04 h THR 390 Cb 1.17 0.96 -0.02 0.00 -1.73 0.00 0.00 68.15 68.53 3i04 h THR 390 CO 0.47 0.01 0.11 0.00 -0.25 0.00 0.00 175.52 175.86 3i04 h ALA 391 N 1.97 1.47 -0.02 6.62 0.00 -1.96 -3.19 119.26 124.15 3i04 h ALA 391 Ca 0.02 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 391 Cb 0.05 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 3i04 h ALA 391 CO -0.00 0.39 -0.43 0.25 0.00 0.00 0.00 179.25 179.46 3i04 n THR 392 N -4.35 2.21 0.05 0.00 -2.24 -0.70 -4.71 114.28 104.55 3i04 n THR 392 Ca 0.02 -3.14 -0.11 0.00 -2.27 0.00 0.00 64.05 58.55 3i04 n THR 392 Cb 0.18 -0.25 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 3i04 n THR 392 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 h ALA 393 N 0.93 -0.14 -0.67 6.98 0.00 -1.44 -2.30 119.26 122.62 3i04 h ALA 393 Ca 0.01 0.01 0.01 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 393 Cb 1.05 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 19.03 3i04 h ALA 393 CO 0.03 -0.62 0.45 0.97 0.00 0.00 0.00 179.25 180.07 3i04 h ILE 394 N -0.22 1.17 -0.21 0.00 6.09 -1.89 0.05 117.51 122.50 3i04 h ILE 394 Ca 0.05 -0.31 0.06 0.00 -1.37 0.00 0.00 64.86 63.28 3i04 h ILE 394 Cb 0.28 0.18 -0.07 0.00 0.47 0.00 0.00 36.82 37.68 3i04 h ILE 394 CO -0.13 0.17 -0.24 -0.33 -3.07 0.00 0.00 178.15 174.54 3i04 h GLU 395 N 0.91 -0.25 -0.79 2.19 5.08 -1.83 0.83 114.58 120.72 3i04 h GLU 395 Ca 0.25 0.02 -0.00 0.00 -1.00 0.00 0.00 59.36 58.62 3i04 h GLU 395 Cb -0.10 0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.17 3i04 h GLU 395 CO -0.06 -0.17 0.49 0.77 -1.00 0.00 0.00 179.01 179.04 3i04 h SER 396 N -0.26 0.94 -0.56 1.42 0.02 -1.06 -2.04 113.55 112.01 3i04 h SER 396 Ca 0.13 -0.05 0.02 0.00 -0.84 0.00 0.00 61.79 61.04 3i04 h SER 396 Cb 0.45 -0.24 -0.03 0.00 0.14 0.00 0.00 62.40 62.73 3i04 h SER 396 CO -0.36 0.71 0.35 0.00 -1.14 0.00 0.00 176.83 176.40 3i04 h ALA 397 N 1.26 0.71 -0.77 3.77 0.00 -0.69 -1.46 119.26 122.09 3i04 h ALA 397 Ca 0.28 -0.03 -0.05 0.00 0.00 0.00 0.00 54.91 55.12 3i04 h ALA 397 Cb -0.06 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.50 3i04 h ALA 397 CO -0.06 0.10 0.30 0.87 0.00 0.00 0.00 179.25 180.46 3i04 h LYS 398 N 0.71 1.15 -0.33 0.00 1.57 -0.53 -1.30 116.57 117.84 3i04 h LYS 398 Ca 0.22 -0.21 0.02 0.00 -1.87 0.00 0.00 60.65 58.81 3i04 h LYS 398 Cb -0.03 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.07 3i04 h LYS 398 CO -0.07 0.93 0.18 1.15 -0.57 0.00 0.00 179.45 181.07 3i04 h THR 399 N 1.12 1.01 -0.38 -0.16 2.02 -1.14 -0.43 112.91 114.94 3i04 h THR 399 Ca 0.25 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.31 3i04 h THR 399 Cb 0.22 0.61 -0.02 0.00 -1.74 0.00 0.00 68.15 67.23 3i04 h THR 399 CO -0.02 0.07 0.25 0.00 0.37 0.00 0.00 175.52 176.19 3i04 h ALA 400 N 1.16 0.48 -0.30 6.16 0.00 -0.99 -1.88 119.26 123.89 3i04 h ALA 400 Ca 0.13 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 400 Cb 0.03 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 400 CO -0.08 -0.06 0.04 0.82 0.00 0.00 0.00 179.25 179.96 3i04 h ILE 401 N 0.51 1.16 -0.18 0.00 2.04 -1.00 -2.42 117.51 117.62 3i04 h ILE 401 Ca 0.14 -0.60 -0.11 0.00 1.00 0.00 0.00 64.86 65.28 3i04 h ILE 401 Cb -0.06 0.90 -0.01 0.00 -0.74 0.00 0.00 36.82 36.91 3i04 h ILE 401 CO -0.03 0.21 -0.38 0.03 0.00 0.00 0.00 178.15 177.98 3i04 h ARG 402 N 0.43 0.39 -0.73 2.37 3.08 -0.66 -1.66 114.38 117.60 3i04 h ARG 402 Ca 0.10 -0.18 -0.04 0.00 0.07 0.00 0.00 59.98 59.92 3i04 h ARG 402 Cb 0.23 -0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.24 3i04 h ARG 402 CO 0.00 0.72 0.29 0.52 -1.07 0.00 0.00 179.97 180.43 3i04 h MET 403 N 0.33 1.08 -0.41 0.04 2.86 -0.89 -2.14 114.93 115.80 3i04 h MET 403 Ca 0.03 -0.19 -0.03 0.00 -2.06 0.00 0.00 59.70 57.45 3i04 h MET 403 Cb 0.82 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 32.28 3i04 h MET 403 CO 0.07 0.88 0.12 0.00 1.06 0.00 0.00 176.91 179.04 3i04 h ALA 404 N 1.25 0.54 -0.83 6.32 0.00 -1.23 -2.23 119.26 123.09 3i04 h ALA 404 Ca 0.24 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 404 Cb 0.21 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 404 CO -0.02 0.20 0.48 0.82 0.00 0.00 0.00 179.25 180.73 3i04 h ILE 405 N 0.53 1.23 -0.26 0.00 2.04 -1.15 -0.30 117.51 119.60 3i04 h ILE 405 Ca 0.13 -0.53 -0.16 0.00 1.00 0.00 0.00 64.86 65.30 3i04 h ILE 405 Cb 0.27 0.08 -0.01 0.00 -0.74 0.00 0.00 36.82 36.43 3i04 h ILE 405 CO -0.00 0.25 -0.48 -0.33 0.00 0.00 0.00 178.15 177.59 3i04 h GLU 406 N 1.14 0.71 -0.10 2.37 4.39 -1.37 -2.29 114.58 119.43 3i04 h GLU 406 Ca 0.30 -0.41 -0.06 0.00 0.34 0.00 0.00 59.36 59.53 3i04 h GLU 406 Cb -0.02 0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.65 3i04 h GLU 406 CO -0.05 1.03 -0.21 0.00 -1.16 0.00 0.00 179.01 178.61 3i04 h ALA 407 N 0.90 1.46 -0.09 3.43 0.00 -0.97 -2.02 119.26 121.97 3i04 h ALA 407 Ca 0.03 -0.25 -0.01 0.00 0.00 0.00 0.00 54.91 54.68 3i04 h ALA 407 Cb 1.04 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.75 3i04 h ALA 407 CO 0.10 0.38 -0.00 0.35 0.00 0.00 0.00 179.25 180.08 3i04 h PHE 408 N 0.15 0.17 -0.40 0.00 3.57 -0.78 -1.18 116.94 118.48 3i04 h PHE 408 Ca 0.03 -0.03 0.08 0.00 3.53 0.00 0.00 57.97 61.58 3i04 h PHE 408 Cb 0.47 -0.04 -0.07 0.00 2.79 0.00 0.00 35.95 39.09 3i04 h PHE 408 CO 0.01 0.42 -0.08 0.87 -2.23 0.00 0.00 178.31 177.30 3i04 h LYS 409 N -0.13 0.02 -0.92 1.11 1.57 -1.21 -0.33 116.57 116.68 3i04 h LYS 409 Ca 0.02 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.83 3i04 h LYS 409 Cb 0.35 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.61 3i04 h LYS 409 CO 0.00 0.01 0.61 0.93 -0.57 0.00 0.00 179.45 180.44 3i04 h GLU 410 N 0.02 1.16 0.39 3.15 5.08 -1.30 -0.19 114.58 122.89 3i04 h GLU 410 Ca 0.20 -0.07 -0.02 0.00 -1.00 0.00 0.00 59.36 58.47 3i04 h GLU 410 Cb 0.29 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.29 3i04 h GLU 410 CO -0.40 0.77 -0.19 -0.09 -1.00 0.00 0.00 179.01 178.10 3i04 h ARG 411 N 1.19 -0.50 -0.17 2.33 2.43 -0.61 -1.77 114.38 117.27 3i04 h ARG 411 Ca 0.36 0.03 -0.00 0.00 -0.81 0.00 0.00 59.98 59.56 3i04 h ARG 411 Cb -0.04 0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 29.61 3i04 h ARG 411 CO -0.10 -0.27 0.11 0.87 -1.51 0.00 0.00 179.97 179.06 3i04 h LYS 412 N -0.63 0.24 -0.93 0.20 1.79 -0.81 -2.98 116.57 113.45 3i04 h LYS 412 Ca -0.05 -0.02 0.03 0.00 -2.18 0.00 0.00 60.65 58.43 3i04 h LYS 412 Cb 0.46 -0.05 -0.05 0.00 -1.58 0.00 0.00 32.23 31.01 3i04 h LYS 412 CO 0.09 0.20 0.61 1.49 -1.08 0.00 0.00 179.45 180.75 3i04 h GLU 413 N 0.21 1.15 0.00 3.15 4.57 -1.08 -2.87 114.58 119.71 3i04 h GLU 413 Ca 0.06 -0.07 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 3i04 h GLU 413 Cb 0.02 -0.26 0.00 0.00 -0.16 0.00 0.00 28.75 28.35 3i04 h GLU 413 CO -0.01 0.76 0.00 -1.13 -1.18 0.00 0.00 179.01 177.45 3i04 n SER 414 N -4.49 0.00 -2.07 1.04 3.41 -0.67 -4.89 113.62 105.95 3i04 n SER 414 Ca 0.12 0.49 -0.18 0.00 -0.26 0.00 0.00 58.87 59.04 3i04 n SER 414 Cb 0.08 -0.50 -0.03 0.00 -0.26 0.00 0.00 64.21 63.50 3i04 n SER 414 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3i04 n ASN 415 N -1.50 -4.99 -4.61 4.04 5.15 -1.08 -4.91 115.26 107.35 3i04 n ASN 415 Ca 0.07 0.20 -0.43 0.00 -0.60 0.00 0.00 54.58 53.83 3i04 n ASN 415 Cb 0.33 -4.29 -0.00 0.00 -0.53 0.00 0.00 39.78 35.29 3i04 n ASN 415 CO 0.00 0.00 0.00 -2.11 1.40 0.00 0.00 177.26 176.55 3i04 n ARG 416 N -2.65 1.47 -2.01 1.20 -4.01 -1.25 -4.94 116.66 104.48 3i04 n ARG 416 Ca -0.20 0.52 -0.41 0.00 -1.04 0.00 0.00 57.85 56.72 3i04 n ARG 416 Cb 0.63 -2.00 -0.02 0.00 -3.04 0.00 0.00 32.46 28.03 3i04 n ARG 416 CO 0.00 0.00 0.00 -1.25 -3.04 0.00 0.00 177.63 173.34 3i04 s PRO 417 N -1.79 4.27 -0.05 2.89 0.04 -1.26 -5.02 135.00 134.07 3i04 s PRO 417 Ca 0.60 2.31 0.06 0.00 0.04 0.00 0.00 61.00 64.01 3i04 s PRO 417 Cb -0.62 -3.09 -0.01 0.00 0.04 0.00 0.00 34.50 30.82 3i04 s PRO 417 CO 0.59 -0.39 -0.25 0.08 0.04 0.00 0.00 177.00 177.08 3i04 s VAL 418 N -0.33 2.00 -0.18 -0.36 1.01 -1.26 -4.69 120.40 116.58 3i04 s VAL 418 Ca 0.57 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.50 3i04 s VAL 418 Cb -0.42 -1.68 0.04 0.00 0.00 0.00 0.00 36.38 34.32 3i04 s VAL 418 CO 0.47 0.56 -0.06 -0.47 0.00 0.00 0.00 175.10 175.60 3i04 s TYR 419 N -0.22 1.86 -0.26 5.22 5.04 0.13 -5.03 117.35 124.08 3i04 s TYR 419 Ca -0.01 -1.22 -0.03 0.00 -2.44 0.00 0.00 57.07 53.36 3i04 s TYR 419 Cb -0.13 -1.38 0.02 0.00 0.35 0.00 0.00 41.96 40.82 3i04 s TYR 419 CO 0.03 -0.65 -0.02 0.42 -1.34 0.00 0.00 175.55 173.98 3i04 s ILE 420 N 1.58 3.17 0.17 3.14 1.01 -1.26 -4.34 121.20 124.67 3i04 s ILE 420 Ca -0.00 -0.95 -0.34 0.00 0.00 0.00 0.00 60.65 59.36 3i04 s ILE 420 Cb -0.16 -2.63 -0.14 0.00 0.01 0.00 0.00 42.46 39.54 3i04 s ILE 420 CO -0.08 0.16 1.46 -2.65 0.00 0.00 0.00 174.94 173.83 3i04 n PRO 421 N 4.72 1.88 -2.31 2.79 -0.02 -1.26 -4.83 135.00 135.97 3i04 n PRO 421 Ca -0.16 0.67 -0.42 0.00 -2.02 0.00 0.00 63.50 61.58 3i04 n PRO 421 Cb 0.47 -2.37 0.00 0.00 -0.02 0.00 0.00 33.50 31.58 3i04 n PRO 421 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 3i04 n GLN 422 N 2.79 4.22 -3.65 -0.52 1.13 -1.26 -2.45 117.38 117.65 3i04 n GLN 422 Ca 0.16 -3.71 -0.22 0.00 -1.94 0.00 0.00 57.00 51.29 3i04 n GLN 422 Cb 0.27 -2.73 -0.18 0.00 0.11 0.00 0.00 30.24 27.71 3i04 n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i04 s ILE 423 N -0.91 -0.10 -0.04 5.09 1.01 -1.26 -4.95 121.20 120.05 3i04 s ILE 423 Ca 0.44 0.20 -0.27 0.00 0.00 0.00 0.00 60.65 61.01 3i04 s ILE 423 Cb 0.13 -0.32 0.06 0.00 0.01 0.00 0.00 42.46 42.34 3i04 s ILE 423 CO -0.03 -0.00 0.59 -1.59 0.00 0.00 0.00 174.94 173.91 3i04 s LYS 424 N 2.16 0.96 0.11 2.79 -2.85 -1.26 -0.48 119.74 121.17 3i04 s LYS 424 Ca 0.04 0.14 0.08 0.00 -1.00 0.00 0.00 55.97 55.24 3i04 s LYS 424 Cb -0.14 0.45 -0.04 0.00 -2.06 0.00 0.00 37.83 36.05 3i04 s LYS 424 CO -0.05 -0.29 -0.21 -0.80 0.10 0.00 0.00 175.35 174.09 3i04 s ASN 425 N -1.23 2.58 0.50 0.03 0.01 0.05 -4.95 114.94 111.93 3i04 s ASN 425 Ca -0.12 -0.70 -0.22 0.00 -0.71 0.00 0.00 52.86 51.11 3i04 s ASN 425 Cb -0.01 -0.14 -0.06 0.00 0.41 0.00 0.00 41.25 41.44 3i04 s ASN 425 CO 0.08 0.06 1.21 -0.60 -1.51 0.00 0.00 177.10 176.34 3i04 s ARG 426 N -1.97 3.53 -0.04 -0.60 3.52 -1.26 -1.44 118.95 120.68 3i04 s ARG 426 Ca 0.07 1.86 0.01 0.00 -0.13 0.00 0.00 55.73 57.54 3i04 s ARG 426 Cb -0.10 -2.30 0.02 0.00 -1.56 0.00 0.00 34.95 31.02 3i04 s ARG 426 CO 0.04 -0.77 -0.04 0.08 -0.81 0.00 0.00 175.30 173.81 3i04 s VAL 427 N -1.52 0.46 -0.19 7.11 1.01 -0.32 -3.51 120.40 123.45 3i04 s VAL 427 Ca 0.67 -0.08 -0.06 0.00 0.00 0.00 0.00 61.98 62.52 3i04 s VAL 427 Cb -0.31 -0.51 -0.03 0.00 0.00 0.00 0.00 36.38 35.54 3i04 s VAL 427 CO 0.37 0.21 0.02 -0.69 0.00 0.00 0.00 175.10 175.00 3i04 s VAL 428 N 0.96 4.21 0.00 2.92 1.01 0.21 -1.00 120.40 128.71 3i04 s VAL 428 Ca -0.11 -0.23 0.00 0.00 0.00 0.00 0.00 61.98 61.64 3i04 s VAL 428 Cb -0.14 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.34 3i04 s VAL 428 CO -0.00 0.44 0.00 0.00 0.00 0.00 0.00 175.10 175.54 3i04 n ALA 429 N 3.96 0.00 -0.87 5.51 0.00 -0.45 -4.59 120.51 124.08 3i04 n ALA 429 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.27 3i04 n ALA 429 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 3i04 n ALA 429 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i04 n GLY 430 N 0.76 0.74 3.14 0.00 0.00 -1.24 -1.27 105.19 107.33 3i04 n GLY 430 Ca 0.00 -0.65 -0.43 0.00 0.00 0.00 0.00 46.02 44.94 3i04 n GLY 430 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 3i04 n TRP 431 N -2.73 3.86 -0.94 1.61 7.02 -0.55 -3.10 117.44 122.61 3i04 n TRP 431 Ca 0.00 -3.05 -0.32 0.00 -1.02 0.00 0.00 57.50 53.11 3i04 n TRP 431 Cb 0.12 -2.06 0.14 0.00 -2.42 0.00 0.00 31.31 27.09 3i04 n TRP 431 CO 0.00 0.00 0.00 -1.54 -2.02 0.00 0.00 177.69 174.13 3i04 s SER 432 N 1.75 3.35 0.49 -0.99 1.04 -1.26 -4.29 113.70 113.79 3i04 s SER 432 Ca 0.41 2.25 0.18 0.00 0.48 0.00 0.00 55.95 59.26 3i04 s SER 432 Cb 0.04 -2.57 1.20 0.00 0.10 0.00 0.00 66.02 64.79 3i04 s SER 432 CO 0.00 -2.82 2.04 0.25 0.98 0.00 0.00 173.24 173.70 3i04 h LEU 433 N -1.35 0.15 -0.57 2.42 5.85 -1.92 -0.30 115.31 119.59 3i04 h LEU 433 Ca -0.45 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.24 3i04 h LEU 433 Cb 1.28 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 42.25 3i04 h LEU 433 CO 0.44 0.10 0.20 -0.33 -0.34 0.00 0.00 178.44 178.51 3i04 h GLU 434 N 0.17 0.86 -0.62 1.25 3.07 -1.90 0.11 114.58 117.51 3i04 h GLU 434 Ca 0.18 -0.17 -0.09 0.00 -0.50 0.00 0.00 59.36 58.77 3i04 h GLU 434 Cb 0.48 -0.13 -0.02 0.00 -0.84 0.00 0.00 28.75 28.24 3i04 h GLU 434 CO -0.03 0.77 0.03 0.00 -1.40 0.00 0.00 179.01 178.38 3i04 h ALA 435 N 1.06 0.84 -0.53 3.43 0.00 -1.57 -1.80 119.26 120.69 3i04 h ALA 435 Ca 0.18 -0.30 -0.09 0.00 0.00 0.00 0.00 54.91 54.70 3i04 h ALA 435 Cb 0.25 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i04 h ALA 435 CO -0.01 0.66 -0.02 -0.07 0.00 0.00 0.00 179.25 179.81 3i04 h LEU 436 N 0.99 0.93 -0.51 0.00 3.38 -0.89 -2.46 115.31 116.76 3i04 h LEU 436 Ca 0.18 -0.32 -0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i04 h LEU 436 Cb 0.53 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 3i04 h LEU 436 CO 0.03 1.02 0.31 0.74 0.09 0.00 0.00 178.44 180.63 3i04 h THR 437 N 0.82 1.15 -0.82 0.22 2.02 -0.87 0.14 112.91 115.57 3i04 h THR 437 Ca 0.15 -0.35 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 3i04 h THR 437 Cb 0.56 0.46 -0.04 0.00 -1.74 0.00 0.00 68.15 67.39 3i04 h THR 437 CO 0.03 0.16 0.51 0.50 0.37 0.00 0.00 175.52 177.09 3i04 h LYS 438 N 0.69 1.10 0.32 6.66 1.63 -1.29 0.23 116.57 125.91 3i04 h LYS 438 Ca 0.18 -0.09 -0.02 0.00 -0.85 0.00 0.00 60.65 59.88 3i04 h LYS 438 Cb -0.01 -0.24 0.00 0.00 -0.60 0.00 0.00 32.23 31.38 3i04 h LYS 438 CO -0.03 0.76 -0.15 1.25 -3.45 0.00 0.00 179.45 177.82 3i04 h LEU 439 N 1.12 -0.36 -1.67 5.20 5.85 -0.94 -2.81 115.31 121.70 3i04 h LEU 439 Ca 0.29 0.01 0.01 0.00 0.84 0.00 0.00 57.88 59.03 3i04 h LEU 439 Cb -0.07 0.09 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3i04 h LEU 439 CO -0.06 -0.25 0.23 -0.07 -0.34 0.00 0.00 178.44 177.95 3i04 h LEU 440 N -0.44 0.39 -1.33 2.25 3.38 -0.79 -2.78 115.31 115.98 3i04 h LEU 440 Ca -0.04 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3i04 h LEU 440 Cb 0.33 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 40.99 3i04 h LEU 440 CO 0.07 0.28 0.00 0.00 0.09 0.00 0.00 178.44 178.88 3i04 h ALA 441 N 1.79 1.00 0.00 1.53 0.00 -0.28 -1.86 119.26 121.44 3i04 h ALA 441 Ca 0.13 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 55.00 3i04 h ALA 441 Cb -0.03 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3i04 h ALA 441 CO -0.03 0.00 -0.19 1.79 0.00 0.00 0.00 179.25 180.82 3i04 h THR 442 N 0.00 0.66 0.16 0.00 1.35 -1.33 -2.48 112.91 111.28 3i04 h THR 442 Ca 0.00 -0.83 -0.33 0.00 -0.55 0.00 0.00 66.41 64.70 3i04 h THR 442 Cb 0.50 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.45 3i04 h THR 442 CO 0.00 0.19 -1.65 1.56 -0.25 0.00 0.00 175.52 175.36 3i04 h GLN 443 N 0.00 0.35 -1.34 4.72 1.08 -1.50 -3.44 115.11 114.97 3i04 h GLN 443 Ca -0.00 -0.59 -0.10 0.00 -1.45 0.00 0.00 58.65 56.51 3i04 h GLN 443 Cb 0.51 0.22 -0.24 0.00 -0.05 0.00 0.00 27.48 27.92 3i04 h GLN 443 CO 0.02 1.24 -0.47 1.21 -0.95 0.00 0.00 178.83 179.89 3i04 s ASN 444 N -7.19 -0.63 0.34 1.46 3.84 -1.00 -5.03 114.94 106.74 3i04 s ASN 444 Ca -0.13 -0.28 0.13 0.00 0.21 0.00 0.00 52.86 52.80 3i04 s ASN 444 Cb 0.06 1.56 0.59 0.00 -0.55 0.00 0.00 41.25 42.90 3i04 s ASN 444 CO 0.86 -0.30 1.73 0.00 -2.79 0.00 0.00 177.10 176.59 3i04 h ALA 445 N 7.88 1.13 -0.15 1.71 0.00 -1.73 -2.33 119.26 125.77 3i04 h ALA 445 Ca -0.03 -0.43 -0.17 0.00 0.00 0.00 0.00 54.91 54.28 3i04 h ALA 445 Cb 1.15 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.86 3i04 h ALA 445 CO 0.19 0.58 -0.62 1.96 0.00 0.00 0.00 179.25 181.37 3i04 h GLN 446 N 0.00 0.53 -1.79 0.00 7.50 -1.96 -3.39 115.11 116.01 3i04 h GLN 446 Ca -0.00 -0.37 -0.49 0.00 0.50 0.00 0.00 58.65 58.29 3i04 h GLN 446 Cb 0.88 0.06 -0.33 0.00 0.05 0.00 0.00 27.48 28.13 3i04 h GLN 446 CO 0.06 0.99 -0.92 -1.71 -1.50 0.00 0.00 178.83 175.75 3i04 n ASN 447 N -3.92 -0.85 -0.13 1.46 2.85 -1.22 -5.02 115.26 108.42 3i04 n ASN 447 Ca -0.04 -2.67 -0.07 0.00 -0.11 0.00 0.00 54.58 51.69 3i04 n ASN 447 Cb 0.64 -0.05 -0.01 0.00 1.24 0.00 0.00 39.78 41.61 3i04 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i04 h PRO 448 N 4.72 -0.23 -0.23 1.20 0.11 -1.62 -2.12 132.00 133.83 3i04 h PRO 448 Ca 0.12 0.02 0.07 0.00 0.11 0.00 0.00 66.00 66.31 3i04 h PRO 448 Cb 0.93 0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3i04 h PRO 448 CO 0.36 -0.15 0.21 0.97 -0.21 0.00 0.00 178.00 179.18 3i04 h ILE 449 N -0.24 0.59 0.00 4.15 6.09 -1.91 -1.83 117.51 124.37 3i04 h ILE 449 Ca 0.18 0.00 -0.02 0.00 -1.37 0.00 0.00 64.86 63.65 3i04 h ILE 449 Cb 0.54 0.84 -0.00 0.00 0.47 0.00 0.00 36.82 38.66 3i04 h ILE 449 CO -0.56 0.00 -0.12 -0.09 -3.07 0.00 0.00 178.15 174.31 3i04 h ARG 450 N 0.00 0.00 -0.57 2.19 9.65 -1.76 -1.51 114.38 122.38 3i04 h ARG 450 Ca 0.11 0.00 0.10 0.00 -1.10 0.00 0.00 59.98 59.10 3i04 h ARG 450 Cb 0.54 0.00 -0.08 0.00 -1.39 0.00 0.00 29.97 29.04 3i04 h ARG 450 CO -0.00 0.12 0.11 0.28 2.80 0.00 0.00 179.97 183.28 3i04 h VAL 451 N 0.00 0.66 -0.01 0.20 2.07 -1.43 0.66 116.25 118.40 3i04 h VAL 451 Ca -0.00 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.42 3i04 h VAL 451 Cb 0.22 0.39 0.00 0.00 -1.52 0.00 0.00 31.29 30.38 3i04 h VAL 451 CO 0.02 0.05 -0.04 0.25 0.02 0.00 0.00 177.57 177.86 3i04 h LEU 452 N 0.25 0.04 -0.50 2.57 5.85 -1.50 -2.83 115.31 119.19 3i04 h LEU 452 Ca 0.30 -0.69 0.02 0.00 0.84 0.00 0.00 57.88 58.34 3i04 h LEU 452 Cb 0.43 -0.01 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 3i04 h LEU 452 CO -0.39 0.72 0.31 0.78 -0.34 0.00 0.00 178.44 179.53 3i04 h ASN 453 N -0.64 0.51 -0.55 1.25 2.35 -1.09 -2.19 115.58 115.22 3i04 h ASN 453 Ca -0.00 -0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.70 3i04 h ASN 453 Cb 0.72 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.96 3i04 h ASN 453 CO 0.01 0.36 0.19 -0.61 -1.65 0.00 0.00 177.43 175.73 3i04 h GLN 454 N 0.62 0.89 -0.06 0.81 5.75 0.25 0.59 115.11 123.96 3i04 h GLN 454 Ca 0.19 -0.17 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 3i04 h GLN 454 Cb -0.01 -0.14 -0.01 0.00 1.07 0.00 0.00 27.48 28.38 3i04 h GLN 454 CO -0.07 0.77 -0.22 0.00 -2.65 0.00 0.00 178.83 176.65 3i04 h ALA 455 N 1.34 1.53 0.03 3.38 0.00 -1.22 0.32 119.26 124.64 3i04 h ALA 455 Ca 0.20 -0.23 -0.20 0.00 0.00 0.00 0.00 54.91 54.68 3i04 h ALA 455 Cb 0.25 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 18.00 3i04 h ALA 455 CO -0.01 0.35 -0.79 0.82 0.00 0.00 0.00 179.25 179.62 3i04 h ILE 456 N 0.09 1.40 -0.52 0.00 2.04 -0.69 0.21 117.51 120.04 3i04 h ILE 456 Ca 0.02 -2.22 -0.03 0.00 1.00 0.00 0.00 64.86 63.63 3i04 h ILE 456 Cb 0.45 2.66 -0.02 0.00 -0.74 0.00 0.00 36.82 39.16 3i04 h ILE 456 CO 0.03 0.65 0.19 -0.07 0.00 0.00 0.00 178.15 178.96 3i04 h LEU 457 N -0.01 0.68 -0.00 1.44 3.38 -0.38 -2.27 115.31 118.15 3i04 h LEU 457 Ca -0.11 -0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.78 3i04 h LEU 457 Cb 1.50 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 42.08 3i04 h LEU 457 CO 0.15 0.62 -0.00 0.47 0.09 0.00 0.00 178.44 179.78 3i04 n ASP 458 N -4.34 0.00 0.00 -0.43 8.00 0.11 -4.92 116.55 114.98 3i04 n ASP 458 Ca 0.04 0.16 0.00 0.00 0.71 0.00 0.00 54.79 55.70 3i04 n ASP 458 Cb 0.17 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 40.88 3i04 n ASP 458 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3i04 n GLY 459 N 1.39 0.98 0.21 0.44 0.00 -0.85 -4.89 105.19 102.45 3i04 n GLY 459 Ca 0.11 0.00 -0.03 0.00 0.00 0.00 0.00 46.02 46.10 3i04 n GLY 459 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3i04 h GLU 460 N 3.29 0.38 -6.47 1.61 4.81 -1.57 -3.43 114.58 113.21 3i04 h GLU 460 Ca 0.00 -0.02 -0.64 0.00 -0.13 0.00 0.00 59.36 58.57 3i04 h GLU 460 Cb 0.00 -0.09 -0.14 0.00 0.63 0.00 0.00 28.75 29.15 3i04 h GLU 460 CO 0.00 0.25 -0.71 -0.51 -0.73 0.00 0.00 179.01 177.31 3i04 s LEU 461 N -10.35 3.09 0.33 1.64 1.43 -0.03 -3.85 118.68 110.93 3i04 s LEU 461 Ca -0.13 -0.45 0.23 0.00 -1.03 0.00 0.00 54.13 52.76 3i04 s LEU 461 Cb 0.15 -1.82 0.31 0.00 0.03 0.00 0.00 46.19 44.86 3i04 s LEU 461 CO 0.73 0.13 1.46 0.00 0.23 0.00 0.00 176.35 178.91 3i04 h ALA 462 N 3.18 0.84 0.00 4.21 0.00 -1.15 -3.39 119.26 122.94 3i04 h ALA 462 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3i04 h ALA 462 Cb 1.19 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.98 3i04 h ALA 462 CO 0.54 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.20 3i04 n GLY 463 N 1.17 0.28 3.30 0.00 0.00 -1.26 -4.72 105.19 103.95 3i04 n GLY 463 Ca 0.03 -1.61 -0.29 0.00 0.00 0.00 0.00 46.02 44.14 3i04 n GLY 463 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 464 N -2.74 1.98 -0.01 1.61 1.01 -0.66 -2.07 120.40 119.52 3i04 s VAL 464 Ca 0.00 -1.19 0.03 0.00 0.00 0.00 0.00 61.98 60.82 3i04 s VAL 464 Cb 0.00 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.71 3i04 s VAL 464 CO 0.00 0.44 -0.10 0.00 0.00 0.00 0.00 175.10 175.44 3i04 s ALA 465 N -0.69 0.86 -0.17 5.51 0.00 -0.90 -1.22 121.76 125.16 3i04 s ALA 465 Ca 0.10 -0.42 -0.03 0.00 0.00 0.00 0.00 51.96 51.61 3i04 s ALA 465 Cb -0.10 -0.24 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3i04 s ALA 465 CO 0.01 0.20 -0.06 -1.17 0.00 0.00 0.00 175.76 174.73 3i04 s LEU 466 N -0.15 3.00 -0.16 0.00 1.98 -0.21 -1.09 118.68 122.04 3i04 s LEU 466 Ca 0.02 -0.27 -0.02 0.00 -2.89 0.00 0.00 54.13 50.98 3i04 s LEU 466 Cb -0.05 -1.73 -0.02 0.00 0.66 0.00 0.00 46.19 45.06 3i04 s LEU 466 CO -0.00 0.10 -0.08 -0.63 -1.89 0.00 0.00 176.35 173.86 3i04 s ILE 467 N 0.74 3.41 0.29 6.68 -1.09 -0.31 -0.12 121.20 130.79 3i04 s ILE 467 Ca -0.03 -0.52 0.04 0.00 -2.23 0.00 0.00 60.65 57.92 3i04 s ILE 467 Cb -0.15 -2.49 -0.03 0.00 -1.58 0.00 0.00 42.46 38.21 3i04 s ILE 467 CO 0.02 0.49 0.24 0.00 -1.23 0.00 0.00 174.94 174.45 3i04 n GLY 469 N -0.50 -1.72 0.56 0.00 0.00 -1.25 -4.14 105.19 98.14 3i04 n GLY 469 Ca 0.05 -1.35 -0.04 0.00 0.00 0.00 0.00 46.02 44.69 3i04 n GLY 469 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 s ASN 471 N -1.68 6.23 -0.20 0.00 0.02 -1.23 -4.26 114.94 113.82 3i04 s ASN 471 Ca 0.11 0.13 -0.04 0.00 -1.02 0.00 0.00 52.86 52.04 3i04 s ASN 471 Cb -0.00 -1.85 0.10 0.00 0.02 0.00 0.00 41.25 39.52 3i04 s ASN 471 CO 0.07 0.06 0.32 0.21 0.02 0.00 0.00 177.10 177.79 3i04 s ASN 472 N -3.19 0.40 0.00 -1.22 3.84 -1.04 -4.29 114.94 109.44 3i04 s ASN 472 Ca 0.34 0.38 0.22 0.00 0.21 0.00 0.00 52.86 54.00 3i04 s ASN 472 Cb -0.11 0.91 1.23 0.00 -0.55 0.00 0.00 41.25 42.72 3i04 s ASN 472 CO 0.28 -0.28 1.68 0.18 -2.79 0.00 0.00 177.10 176.17 3i04 n LEU 473 N 5.36 0.00 -0.31 3.21 4.77 -1.26 -1.91 117.00 126.86 3i04 n LEU 473 Ca -0.06 0.09 0.12 0.00 -0.03 0.00 0.00 56.01 56.14 3i04 n LEU 473 Cb 0.50 -0.09 0.29 0.00 -2.33 0.00 0.00 43.42 41.79 3i04 n LEU 473 CO 0.04 -0.03 1.09 0.11 -1.33 0.00 0.00 177.39 177.27 3i04 h LYS 474 N 0.00 0.50 -6.23 3.23 1.57 -1.95 -3.41 116.57 110.28 3i04 h LYS 474 Ca 0.00 -0.03 -0.59 0.00 -1.87 0.00 0.00 60.65 58.16 3i04 h LYS 474 Cb 0.07 -0.11 -0.08 0.00 0.08 0.00 0.00 32.23 32.18 3i04 h LYS 474 CO 0.00 0.33 -0.60 0.20 -0.57 0.00 0.00 179.45 178.82 3i04 s GLY 475 N -3.73 1.77 0.25 3.86 0.00 -0.80 -1.21 107.32 107.46 3i04 s GLY 475 Ca -0.12 -1.21 -0.31 0.00 0.00 0.00 0.00 44.72 43.08 3i04 s GLY 475 CO 0.78 -1.21 1.49 0.69 0.00 0.00 0.00 173.10 174.85 3i04 n PHE 476 N -0.12 2.40 -1.70 1.90 3.01 -1.26 -4.67 117.46 117.02 3i04 n PHE 476 Ca -0.09 0.35 -0.59 0.00 1.01 0.00 0.00 57.45 58.13 3i04 n PHE 476 Cb 0.54 -2.52 -0.08 0.00 -0.01 0.00 0.00 39.48 37.42 3i04 n PHE 476 CO 0.00 0.00 0.00 0.94 1.01 0.00 0.00 176.76 178.71 3i04 n GLN 477 N 2.25 0.86 -0.85 -1.08 7.27 0.41 -1.91 117.38 124.34 3i04 n GLN 477 Ca 0.11 0.32 0.00 0.00 0.07 0.00 0.00 57.00 57.50 3i04 n GLN 477 Cb 0.33 -1.95 0.00 0.00 2.41 0.00 0.00 30.24 31.03 3i04 n GLN 477 CO 0.00 0.00 0.00 -0.25 0.07 0.00 0.00 177.06 176.88 3i04 n ASP 478 N 4.61 0.00 -0.06 1.69 8.00 -1.26 -1.59 116.55 127.94 3i04 n ASP 478 Ca 0.26 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.61 3i04 n ASP 478 Cb 0.09 -0.52 -0.06 0.00 -0.02 0.00 0.00 41.12 40.61 3i04 n ASP 478 CO 0.00 0.00 0.00 -1.13 -0.39 0.00 0.00 177.20 175.68 3i04 h ASN 479 N 0.00 0.81 0.31 -2.24 -1.24 -1.75 -1.82 115.58 109.64 3i04 h ASN 479 Ca 0.00 -0.56 -0.27 0.00 0.71 0.00 0.00 56.30 56.17 3i04 h ASN 479 Cb 0.00 -0.23 0.02 0.00 0.73 0.00 0.00 38.32 38.83 3i04 h ASN 479 CO 0.00 1.23 -1.15 0.28 -1.29 0.00 0.00 177.43 176.49 3i04 h SER 480 N 0.43 0.67 -0.01 1.15 0.02 -1.90 -1.68 113.55 112.23 3i04 h SER 480 Ca -0.00 -0.61 0.03 0.00 -0.84 0.00 0.00 61.79 60.36 3i04 h SER 480 Cb 1.12 -0.21 -0.04 0.00 0.14 0.00 0.00 62.40 63.41 3i04 h SER 480 CO 0.11 1.44 -0.20 0.45 -1.14 0.00 0.00 176.83 177.48 3i04 h HIS 481 N 0.22 -0.54 -0.41 3.45 3.86 -1.87 -0.54 115.15 119.32 3i04 h HIS 481 Ca -0.14 0.02 -0.03 0.00 -1.16 0.00 0.00 60.37 59.05 3i04 h HIS 481 Cb 1.82 0.24 -0.02 0.00 1.06 0.00 0.00 27.41 30.52 3i04 h HIS 481 CO 0.09 -0.29 0.13 -0.07 0.86 0.00 0.00 177.93 178.65 3i04 h LEU 482 N -0.32 0.59 -0.45 2.43 -0.00 -1.36 -0.78 115.31 115.42 3i04 h LEU 482 Ca 0.06 -0.20 -0.04 0.00 -0.00 0.00 0.00 57.88 57.69 3i04 h LEU 482 Cb 0.40 -0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 40.89 3i04 h LEU 482 CO -0.20 0.64 0.10 0.74 -0.00 0.00 0.00 178.44 179.73 3i04 h THR 483 N 0.52 1.24 0.12 0.22 2.02 -1.24 -1.03 112.91 114.75 3i04 h THR 483 Ca 0.13 -0.82 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 3i04 h THR 483 Cb 0.26 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3i04 h THR 483 CO -0.00 0.29 -0.06 0.58 0.37 0.00 0.00 175.52 176.70 3i04 h VAL 484 N 0.59 0.93 -0.12 3.16 2.07 -1.04 -2.64 116.25 119.20 3i04 h VAL 484 Ca 0.14 -0.18 -0.00 0.00 0.82 0.00 0.00 66.70 67.48 3i04 h VAL 484 Cb 0.33 1.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.14 3i04 h VAL 484 CO 0.00 0.04 0.08 0.24 0.02 0.00 0.00 177.57 177.95 3i04 h MET 485 N -0.24 0.16 -0.57 1.57 2.07 -0.86 -1.50 114.93 115.56 3i04 h MET 485 Ca -0.02 -0.01 0.11 0.00 -2.07 0.00 0.00 59.70 57.71 3i04 h MET 485 Cb 0.19 -0.03 -0.08 0.00 -1.87 0.00 0.00 31.60 29.81 3i04 h MET 485 CO 0.03 0.14 0.10 0.87 1.07 0.00 0.00 176.91 179.12 3i04 h LYS 486 N 0.14 0.23 -0.12 1.72 1.57 -1.26 0.73 116.57 119.57 3i04 h LYS 486 Ca 0.04 -0.01 -0.14 0.00 -1.87 0.00 0.00 60.65 58.67 3i04 h LYS 486 Cb 0.02 -0.05 -0.01 0.00 0.08 0.00 0.00 32.23 32.27 3i04 h LYS 486 CO -0.01 0.15 -0.55 1.49 -0.57 0.00 0.00 179.45 179.96 3i04 h GLU 487 N 0.23 0.36 -0.23 3.15 4.57 -1.22 -1.61 114.58 119.84 3i04 h GLU 487 Ca 0.30 -0.22 -0.08 0.00 -1.18 0.00 0.00 59.36 58.17 3i04 h GLU 487 Cb 0.43 0.02 -0.00 0.00 -0.16 0.00 0.00 28.75 29.04 3i04 h GLU 487 CO -0.39 0.81 -0.17 -0.07 -1.18 0.00 0.00 179.01 178.01 3i04 h LEU 488 N 0.28 0.55 -0.78 1.64 3.38 -0.91 -2.39 115.31 117.07 3i04 h LEU 488 Ca 0.00 -0.44 0.09 0.00 0.09 0.00 0.00 57.88 57.62 3i04 h LEU 488 Cb 1.05 -0.15 -0.07 0.00 0.09 0.00 0.00 40.66 41.58 3i04 h LEU 488 CO 0.09 0.87 0.43 -0.07 0.09 0.00 0.00 178.44 179.86 3i04 h LEU 489 N 0.22 0.61 -1.08 1.67 3.38 -0.78 -1.49 115.31 117.85 3i04 h LEU 489 Ca 0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 58.07 3i04 h LEU 489 Cb 0.70 -0.07 -0.05 0.00 0.09 0.00 0.00 40.66 41.33 3i04 h LEU 489 CO 0.04 0.36 0.62 0.50 0.09 0.00 0.00 178.44 180.05 3i04 h LYS 490 N 0.74 1.23 -1.00 1.13 3.64 -1.20 -1.44 116.57 119.66 3i04 h LYS 490 Ca 0.37 -0.07 -0.42 0.00 -1.27 0.00 0.00 60.65 59.26 3i04 h LYS 490 Cb 0.33 -0.28 -0.25 0.00 -0.41 0.00 0.00 32.23 31.63 3i04 h LYS 490 CO -0.24 0.81 0.53 0.09 -2.27 0.00 0.00 179.45 178.37 3i04 n ASN 491 N -4.40 3.62 -2.34 4.20 3.02 -0.61 -3.75 115.26 115.01 3i04 n ASN 491 Ca 0.11 -3.29 -0.19 0.00 -0.03 0.00 0.00 54.58 51.18 3i04 n ASN 491 Cb 0.02 -0.77 0.01 0.00 -0.61 0.00 0.00 39.78 38.43 3i04 n ASN 491 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 3i04 n ASN 492 N -0.82 -5.39 -4.71 6.41 3.02 -0.83 -4.42 115.26 108.52 3i04 n ASN 492 Ca 0.48 -0.13 -0.38 0.00 -0.03 0.00 0.00 54.58 54.52 3i04 n ASN 492 Cb 1.45 -4.34 -0.06 0.00 -0.61 0.00 0.00 39.78 36.21 3i04 n ASN 492 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3i04 s VAL 493 N -3.00 5.15 -0.10 2.41 1.01 -0.92 -0.75 120.40 124.21 3i04 s VAL 493 Ca 0.13 1.03 -0.30 0.00 0.00 0.00 0.00 61.98 62.85 3i04 s VAL 493 Cb -0.06 -3.86 -0.03 0.00 0.00 0.00 0.00 36.38 32.43 3i04 s VAL 493 CO 0.16 0.29 1.35 0.12 0.00 0.00 0.00 175.10 177.02 3i04 s PHE 494 N 0.83 2.73 -0.18 5.22 5.36 -0.88 -4.42 117.98 126.65 3i04 s PHE 494 Ca 0.27 0.84 -0.02 0.00 -0.96 0.00 0.00 56.93 57.07 3i04 s PHE 494 Cb -0.16 -3.60 -0.01 0.00 -0.34 0.00 0.00 43.02 38.91 3i04 s PHE 494 CO 0.11 -2.20 -0.08 0.08 -1.46 0.00 0.00 175.22 171.67 3i04 s VAL 495 N 3.22 3.25 0.25 3.12 1.01 -1.26 -2.11 120.40 127.88 3i04 s VAL 495 Ca 0.60 -0.56 0.08 0.00 0.00 0.00 0.00 61.98 62.10 3i04 s VAL 495 Cb -0.26 -2.43 -0.04 0.00 0.00 0.00 0.00 36.38 33.65 3i04 s VAL 495 CO 0.21 0.47 0.06 0.68 0.00 0.00 0.00 175.10 176.52 3i04 s VAL 496 N 0.93 3.82 0.09 2.92 -7.23 -0.25 -0.94 120.40 119.73 3i04 s VAL 496 Ca -0.01 -1.67 -0.16 0.00 -1.81 0.00 0.00 61.98 58.33 3i04 s VAL 496 Cb -0.15 -3.03 0.03 0.00 0.56 0.00 0.00 36.38 33.80 3i04 s VAL 496 CO 0.00 -0.32 0.38 0.00 -0.31 0.00 0.00 175.10 174.85 3i04 s ALA 497 N -2.17 -0.88 0.24 1.32 0.00 -0.06 -1.16 121.76 119.06 3i04 s ALA 497 Ca 0.31 0.03 -0.05 0.00 0.00 0.00 0.00 51.96 52.25 3i04 s ALA 497 Cb -0.07 0.53 -0.02 0.00 0.00 0.00 0.00 23.12 23.55 3i04 s ALA 497 CO 0.21 -0.55 0.31 0.95 0.00 0.00 0.00 175.76 176.68 3i04 s THR 498 N -3.25 0.00 0.00 0.00 -4.23 -0.87 -0.50 115.64 106.78 3i04 s THR 498 Ca -0.00 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.77 3i04 s THR 498 Cb 0.01 -2.41 0.00 0.00 1.34 0.00 0.00 72.50 71.44 3i04 s THR 498 CO -0.08 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.61 3i04 n GLY 499 N -0.37 0.70 0.27 3.99 0.00 -0.50 -2.06 105.19 107.22 3i04 n GLY 499 Ca 0.01 -0.74 0.15 0.00 0.00 0.00 0.00 46.02 45.44 3i04 n GLY 499 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 h SER 501 N 0.00 0.33 -0.34 0.00 0.87 -0.74 -1.32 113.55 112.35 3i04 h SER 501 Ca -0.00 -0.10 -0.04 0.00 -1.23 0.00 0.00 61.79 60.42 3i04 h SER 501 Cb 0.53 -0.08 -0.02 0.00 -0.44 0.00 0.00 62.40 62.39 3i04 h SER 501 CO 0.01 0.33 0.09 0.00 -0.53 0.00 0.00 176.83 176.73 3i04 h ALA 502 N 1.01 1.37 -0.46 6.23 0.00 -1.10 -2.20 119.26 124.10 3i04 h ALA 502 Ca 0.09 -0.17 -0.05 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 502 Cb 0.08 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.68 3i04 h ALA 502 CO -0.01 0.45 0.09 1.96 0.00 0.00 0.00 179.25 181.73 3i04 h GLN 503 N 0.61 0.70 0.06 0.00 4.20 -0.99 -0.88 115.11 118.82 3i04 h GLN 503 Ca 0.14 -0.14 -0.00 0.00 0.06 0.00 0.00 58.65 58.71 3i04 h GLN 503 Cb 0.25 -0.11 -0.00 0.00 0.30 0.00 0.00 27.48 27.92 3i04 h GLN 503 CO -0.00 0.66 -0.04 0.00 -0.67 0.00 0.00 178.83 178.78 3i04 h ALA 504 N 1.42 -0.09 -0.62 3.87 0.00 -0.84 0.67 119.26 123.66 3i04 h ALA 504 Ca 0.15 -0.02 0.09 0.00 0.00 0.00 0.00 54.91 55.13 3i04 h ALA 504 Cb 0.29 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3i04 h ALA 504 CO 0.00 -0.56 0.26 0.00 0.00 0.00 0.00 179.25 178.96 3i04 h ALA 505 N 0.84 0.82 0.40 0.00 0.00 -1.04 -1.74 119.26 118.54 3i04 h ALA 505 Ca -0.00 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 505 Cb 0.08 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.89 3i04 h ALA 505 CO 0.00 -0.14 -0.19 0.78 0.00 0.00 0.00 179.25 179.70 3i04 h GLY 506 N 0.47 -0.57 0.52 0.00 0.00 -0.89 0.30 103.07 102.90 3i04 h GLY 506 Ca 0.31 0.21 0.12 0.00 0.00 0.00 0.00 47.33 47.97 3i04 h GLY 506 CO -0.28 -0.21 0.61 0.50 0.00 0.00 0.00 176.54 177.16 3i04 h LYS 507 N -0.73 0.88 -0.32 4.80 1.57 -0.78 -3.21 116.57 118.77 3i04 h LYS 507 Ca -0.06 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.67 3i04 h LYS 507 Cb 0.51 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i04 h LYS 507 CO 0.09 0.58 0.00 1.28 -0.57 0.00 0.00 179.45 180.83 3i04 n LEU 508 N -4.59 2.95 0.00 2.94 4.77 -0.66 -4.34 117.00 118.07 3i04 n LEU 508 Ca 0.18 -1.65 0.00 0.00 -0.03 0.00 0.00 56.01 54.52 3i04 n LEU 508 Cb 0.38 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 3i04 n LEU 508 CO 0.28 0.68 0.00 0.61 -1.33 0.00 0.00 177.39 177.63 3i04 n GLY 509 N 0.91 0.62 0.18 -0.72 0.00 -0.67 -4.98 105.19 100.53 3i04 n GLY 509 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3i04 n GLY 509 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3i04 n LEU 510 N 0.00 0.54 -0.97 0.99 4.32 0.98 -2.41 117.00 120.45 3i04 n LEU 510 Ca 0.00 -0.20 0.09 0.00 -0.02 0.00 0.00 56.01 55.88 3i04 n LEU 510 Cb 0.00 -0.01 0.22 0.00 -1.62 0.00 0.00 43.42 42.01 3i04 n LEU 510 CO 0.00 0.10 0.69 0.18 -1.22 0.00 0.00 177.39 177.14 3i04 n LEU 511 N -0.53 3.36 -4.59 2.23 4.77 -1.14 -2.68 117.00 118.42 3i04 n LEU 511 Ca 0.20 -1.91 -0.40 0.00 -0.03 0.00 0.00 56.01 53.86 3i04 n LEU 511 Cb 0.18 -0.33 -0.08 0.00 -2.33 0.00 0.00 43.42 40.86 3i04 n LEU 511 CO 0.15 0.82 0.14 -0.62 -1.33 0.00 0.00 177.39 176.56 3i04 s ASP 512 N -1.04 6.31 0.58 -1.43 -1.08 -1.01 -0.62 116.67 118.37 3i04 s ASP 512 Ca 0.35 0.25 0.30 0.00 -0.52 0.00 0.00 52.55 52.93 3i04 s ASP 512 Cb 0.18 -2.24 1.43 0.00 -1.46 0.00 0.00 42.92 40.83 3i04 s ASP 512 CO 0.24 -0.28 1.81 -0.65 0.52 0.00 0.00 175.17 176.81 3i04 h PRO 513 N 8.21 0.00 0.00 4.34 0.11 -1.88 -1.09 132.00 141.69 3i04 h PRO 513 Ca -0.30 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 3i04 h PRO 513 Cb 1.15 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.26 3i04 h PRO 513 CO 0.69 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.48 3i04 n ALA 514 N -2.45 1.37 0.04 -0.75 0.00 -1.26 -2.52 120.51 114.94 3i04 n ALA 514 Ca 0.14 0.11 0.10 0.00 0.00 0.00 0.00 53.44 53.79 3i04 n ALA 514 Cb 0.91 -1.32 0.20 0.00 0.00 0.00 0.00 19.45 19.24 3i04 n ALA 514 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i04 n ASN 515 N -2.12 3.27 -0.18 0.00 3.02 -0.41 -4.09 115.26 114.75 3i04 n ASN 515 Ca 0.01 -1.94 -0.06 0.00 -0.03 0.00 0.00 54.58 52.56 3i04 n ASN 515 Cb 0.13 -0.27 0.03 0.00 -0.61 0.00 0.00 39.78 39.06 3i04 n ASN 515 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 3i04 h VAL 516 N 3.54 1.11 -0.88 2.41 2.07 -1.64 -2.69 116.25 120.18 3i04 h VAL 516 Ca 0.00 -0.24 0.01 0.00 0.82 0.00 0.00 66.70 67.29 3i04 h VAL 516 Cb 0.86 0.36 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 3i04 h VAL 516 CO 0.00 0.13 0.58 -0.08 0.02 0.00 0.00 177.57 178.21 3i04 h GLU 517 N 0.69 1.16 -0.86 1.57 4.57 -1.81 -1.74 114.58 118.16 3i04 h GLU 517 Ca 0.20 -0.07 0.02 0.00 -1.18 0.00 0.00 59.36 58.32 3i04 h GLU 517 Cb -0.06 -0.26 -0.05 0.00 -0.16 0.00 0.00 28.75 28.23 3i04 h GLU 517 CO -0.06 0.77 0.57 1.15 -1.18 0.00 0.00 179.01 180.26 3i04 h THR 518 N 1.19 1.20 0.00 0.32 2.02 -1.71 -3.38 112.91 112.54 3i04 h THR 518 Ca 0.32 -0.39 -0.02 0.00 0.77 0.00 0.00 66.41 67.09 3i04 h THR 518 Cb -0.13 -0.04 -0.00 0.00 -1.74 0.00 0.00 68.15 66.23 3i04 h THR 518 CO -0.07 0.21 -1.07 -1.22 0.37 0.00 0.00 175.52 173.74 3i04 n TYR 519 N -4.50 0.00 -3.10 3.16 0.53 -1.03 -5.05 117.16 107.16 3i04 n TYR 519 Ca 0.10 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.59 3i04 n TYR 519 Cb 0.04 -0.05 -0.06 0.00 -1.03 0.00 0.00 39.34 38.24 3i04 n TYR 519 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 3i04 s GLY 521 N -0.93 1.60 0.36 0.00 0.00 -0.61 -4.64 107.32 103.11 3i04 s GLY 521 Ca 0.33 -0.63 0.08 0.00 0.00 0.00 0.00 44.72 44.51 3i04 s GLY 521 CO 0.23 -0.05 1.87 -0.55 0.00 0.00 0.00 173.10 174.60 3i04 h ASP 522 N -1.49 0.25 0.24 1.64 3.32 -1.91 -0.07 116.42 118.40 3i04 h ASP 522 Ca -0.49 -0.06 -0.01 0.00 0.02 0.00 0.00 57.03 56.49 3i04 h ASP 522 Cb 1.32 -0.07 0.00 0.00 0.22 0.00 0.00 39.33 40.81 3i04 h ASP 522 CO 0.59 0.45 -0.11 1.23 -1.72 0.00 0.00 179.24 179.67 3i04 h GLY 523 N 0.84 -0.33 0.92 2.75 0.00 -1.93 -1.56 103.07 103.76 3i04 h GLY 523 Ca 0.05 0.12 -0.01 0.00 0.00 0.00 0.00 47.33 47.49 3i04 h GLY 523 CO 0.03 -0.12 0.11 -2.00 0.00 0.00 0.00 176.54 174.56 3i04 h LEU 524 N -0.70 0.29 -0.51 3.11 5.85 -1.62 -1.55 115.31 120.18 3i04 h LEU 524 Ca -0.03 -0.12 0.08 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 524 Cb 0.48 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.38 3i04 h LEU 524 CO 0.05 0.33 0.16 0.50 -0.34 0.00 0.00 178.44 179.15 3i04 h LYS 525 N 0.23 0.32 -0.17 1.25 3.64 -1.07 0.25 116.57 121.02 3i04 h LYS 525 Ca 0.08 -0.02 -0.07 0.00 -1.27 0.00 0.00 60.65 59.37 3i04 h LYS 525 Cb 0.12 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 31.85 3i04 h LYS 525 CO -0.01 0.21 -0.20 0.78 -2.27 0.00 0.00 179.45 177.96 3i04 h GLY 526 N 0.33 0.31 0.81 5.01 0.00 -1.10 0.26 103.07 108.68 3i04 h GLY 526 Ca 0.25 -0.22 -0.07 0.00 0.00 0.00 0.00 47.33 47.30 3i04 h GLY 526 CO -0.27 0.20 -0.13 -2.75 0.00 0.00 0.00 176.54 173.58 3i04 h PHE 527 N 0.26 0.52 -0.13 5.60 3.57 -0.30 -1.96 116.94 124.50 3i04 h PHE 527 Ca 0.05 -0.14 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 3i04 h PHE 527 Cb 0.50 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.12 3i04 h PHE 527 CO 0.01 0.76 -0.25 -0.07 -2.23 0.00 0.00 178.31 176.53 3i04 h LEU 528 N 0.13 0.23 -0.25 0.59 3.38 -0.34 -0.93 115.31 118.13 3i04 h LEU 528 Ca 0.04 -0.07 -0.09 0.00 0.09 0.00 0.00 57.88 57.85 3i04 h LEU 528 Cb 0.65 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 3i04 h LEU 528 CO 0.04 0.49 -0.18 0.50 0.09 0.00 0.00 178.44 179.38 3i04 h LYS 529 N 0.22 0.56 -0.38 1.13 3.64 -0.87 0.38 116.57 121.24 3i04 h LYS 529 Ca 0.03 -0.27 -0.00 0.00 -1.27 0.00 0.00 60.65 59.14 3i04 h LYS 529 Cb 0.57 -0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.37 3i04 h LYS 529 CO 0.04 0.85 0.23 -0.09 -2.27 0.00 0.00 179.45 178.21 3i04 h ARG 530 N 0.27 0.52 -0.47 1.90 2.43 -1.23 -1.55 114.38 116.25 3i04 h ARG 530 Ca 0.05 -0.05 0.04 0.00 -0.81 0.00 0.00 59.98 59.21 3i04 h ARG 530 Cb 0.72 -0.11 -0.04 0.00 -0.42 0.00 0.00 29.97 30.12 3i04 h ARG 530 CO 0.05 0.39 0.23 -0.07 -1.51 0.00 0.00 179.97 179.06 3i04 h LEU 531 N 0.50 0.32 -0.48 3.80 3.38 -1.04 -2.67 115.31 119.12 3i04 h LEU 531 Ca 0.14 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3i04 h LEU 531 Cb 0.01 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.73 3i04 h LEU 531 CO -0.03 0.23 0.00 0.61 0.09 0.00 0.00 178.44 179.34 3i04 n GLY 532 N -1.24 -1.38 0.13 0.83 0.00 0.11 -2.11 105.19 101.52 3i04 n GLY 532 Ca 0.04 0.05 0.14 0.00 0.00 0.00 0.00 46.02 46.25 3i04 n GLY 532 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 533 N -2.20 0.76 -1.40 1.61 1.02 -0.61 -4.76 120.64 115.06 3i04 n GLU 533 Ca 0.03 -0.26 -0.36 0.00 -0.02 0.00 0.00 57.16 56.56 3i04 n GLU 533 Cb 0.28 -1.49 0.09 0.00 -0.02 0.00 0.00 31.44 30.29 3i04 n GLU 533 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 534 N 1.26 -0.19 3.65 0.62 0.00 -0.90 -4.90 105.19 104.72 3i04 n GLY 534 Ca 0.15 -0.32 -0.46 0.00 0.00 0.00 0.00 46.02 45.40 3i04 n GLY 534 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i04 n ALA 535 N -2.48 0.72 -1.38 4.61 0.00 -1.26 -1.95 120.51 118.76 3i04 n ALA 535 Ca 0.14 0.43 -0.13 0.00 0.00 0.00 0.00 53.44 53.88 3i04 n ALA 535 Cb 0.49 -2.23 -0.06 0.00 0.00 0.00 0.00 19.45 17.65 3i04 n ALA 535 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3i04 n ASN 536 N 2.32 -5.63 -4.46 0.00 5.03 -1.26 -4.91 115.26 106.35 3i04 n ASN 536 Ca 0.13 0.32 -0.44 0.00 0.87 0.00 0.00 54.58 55.47 3i04 n ASN 536 Cb 0.29 -4.29 -0.01 0.00 -1.02 0.00 0.00 39.78 34.76 3i04 n ASN 536 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 3i04 s ILE 537 N -2.13 4.96 0.01 2.41 -1.09 -0.82 -4.77 121.20 119.76 3i04 s ILE 537 Ca 0.00 -2.33 0.08 0.00 -2.23 0.00 0.00 60.65 56.17 3i04 s ILE 537 Cb 0.00 -4.86 -0.23 0.00 -1.58 0.00 0.00 42.46 35.78 3i04 s ILE 537 CO 0.00 -1.58 0.85 -0.33 -1.23 0.00 0.00 174.94 172.65 3i04 h GLU 538 N 7.65 0.04 -7.00 2.79 4.39 -1.89 -3.46 114.58 117.11 3i04 h GLU 538 Ca 0.27 -0.07 -0.50 0.00 0.34 0.00 0.00 59.36 59.39 3i04 h GLU 538 Cb 0.92 0.03 0.06 0.00 -0.10 0.00 0.00 28.75 29.66 3i04 h GLU 538 CO 1.20 0.75 0.48 -1.50 -1.16 0.00 0.00 179.01 178.77 3i04 s ILE 539 N -2.63 3.17 0.59 3.13 2.07 -1.26 -5.00 121.20 121.27 3i04 s ILE 539 Ca -0.04 0.88 -0.16 0.00 -1.41 0.00 0.00 60.65 59.92 3i04 s ILE 539 Cb 0.08 -3.45 -0.04 0.00 0.13 0.00 0.00 42.46 39.19 3i04 s ILE 539 CO 0.82 -0.01 1.07 -0.83 -1.91 0.00 0.00 174.94 174.08 3i04 s GLY 540 N -1.39 2.18 -0.15 1.50 0.00 -1.26 -5.01 107.32 103.19 3i04 s GLY 540 Ca 0.63 0.45 -0.13 0.00 0.00 0.00 0.00 44.72 45.67 3i04 s GLY 540 CO 0.34 0.78 0.28 1.08 0.00 0.00 0.00 173.10 175.57 3i04 s LEU 541 N -4.44 4.26 0.67 0.66 1.43 -1.26 -4.82 118.68 115.18 3i04 s LEU 541 Ca 0.65 0.51 -0.11 0.00 -1.03 0.00 0.00 54.13 54.14 3i04 s LEU 541 Cb -0.17 -2.35 -0.01 0.00 0.03 0.00 0.00 46.19 43.69 3i04 s LEU 541 CO 0.36 0.13 1.06 -2.16 0.23 0.00 0.00 176.35 175.98 3i04 s PRO 542 N 0.29 3.19 0.29 1.29 0.04 -1.26 -4.21 135.00 134.64 3i04 s PRO 542 Ca 0.16 0.62 0.11 0.00 0.04 0.00 0.00 61.00 61.94 3i04 s PRO 542 Cb -0.13 -2.05 0.42 0.00 0.04 0.00 0.00 34.50 32.79 3i04 s PRO 542 CO 0.04 -0.83 1.65 -1.00 0.04 0.00 0.00 177.00 176.89 3i04 h PRO 543 N -0.51 0.00 -5.58 0.56 0.13 -1.78 -3.44 132.00 121.39 3i04 h PRO 543 Ca -0.44 0.00 -0.68 0.00 -0.87 0.00 0.00 66.00 64.00 3i04 h PRO 543 Cb 1.22 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 32.03 3i04 h PRO 543 CO 0.63 0.57 -0.87 0.08 -0.23 0.00 0.00 178.00 178.17 3i04 s VAL 544 N -3.68 2.14 -0.46 1.56 1.01 -1.09 -4.48 120.40 115.39 3i04 s VAL 544 Ca -0.01 -1.01 -0.18 0.00 0.00 0.00 0.00 61.98 60.78 3i04 s VAL 544 Cb 0.13 -1.81 0.04 0.00 0.00 0.00 0.00 36.38 34.74 3i04 s VAL 544 CO 0.75 0.56 0.50 -0.36 0.00 0.00 0.00 175.10 176.55 3i04 s PHE 545 N 0.16 3.14 -0.41 5.22 0.40 -0.12 -4.69 117.98 121.68 3i04 s PHE 545 Ca -0.13 -0.52 -0.28 0.00 -0.60 0.00 0.00 56.93 55.40 3i04 s PHE 545 Cb -0.16 -3.17 -0.00 0.00 0.51 0.00 0.00 43.02 40.19 3i04 s PHE 545 CO 0.07 -0.83 1.61 -1.58 0.70 0.00 0.00 175.22 175.19 3i04 s HIS 546 N 2.23 2.07 -1.94 0.36 2.46 -1.26 -0.88 115.29 118.33 3i04 s HIS 546 Ca 0.12 0.64 0.24 0.00 0.47 0.00 0.00 55.06 56.53 3i04 s HIS 546 Cb -0.19 -4.23 0.32 0.00 -0.13 0.00 0.00 32.58 28.36 3i04 s HIS 546 CO 0.12 -2.41 1.29 -1.33 -2.47 0.00 0.00 174.74 169.95 3i04 n MET 547 N 8.39 1.07 0.00 2.88 2.81 0.34 -1.48 117.12 131.14 3i04 n MET 547 Ca 0.19 -0.80 0.00 0.00 -1.81 0.00 0.00 57.70 55.28 3i04 n MET 547 Cb 0.48 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.51 3i04 n MET 547 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i04 n GLY 548 N 1.38 0.65 3.46 3.03 0.00 -1.24 -4.69 105.19 107.78 3i04 n GLY 548 Ca 0.11 -1.95 -0.29 0.00 0.00 0.00 0.00 46.02 43.89 3i04 n GLY 548 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i04 s SER 549 N -4.00 0.46 0.39 1.61 1.04 -1.26 -1.40 113.70 110.54 3i04 s SER 549 Ca 0.00 1.19 0.06 0.00 0.48 0.00 0.00 55.95 57.69 3i04 s SER 549 Cb 0.00 -1.81 0.81 0.00 0.10 0.00 0.00 66.02 65.12 3i04 s SER 549 CO 0.00 -4.47 2.03 0.00 0.98 0.00 0.00 173.24 171.77 3i04 h VAL 551 N 0.64 1.20 0.00 0.00 -1.51 -1.92 -0.89 116.25 113.76 3i04 h VAL 551 Ca 0.20 -0.96 0.00 0.00 -1.23 0.00 0.00 66.70 64.71 3i04 h VAL 551 Cb 0.03 1.52 0.00 0.00 -2.13 0.00 0.00 31.29 30.71 3i04 h VAL 551 CO -0.05 0.27 0.00 0.47 -1.23 0.00 0.00 177.57 177.04 3i04 n ASP 552 N -4.20 0.00 0.25 4.19 8.00 -0.55 -1.12 116.55 123.12 3i04 n ASP 552 Ca -0.02 -0.77 0.17 0.00 0.71 0.00 0.00 54.79 54.88 3i04 n ASP 552 Cb 0.33 0.00 0.89 0.00 -0.02 0.00 0.00 41.12 42.32 3i04 n ASP 552 CO 0.00 0.00 0.00 0.78 -0.39 0.00 0.00 177.20 177.59 3i04 h ASN 553 N 0.00 0.00 -0.47 -2.24 2.35 -1.16 -1.54 115.58 112.51 3i04 h ASN 553 Ca 0.00 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 55.79 3i04 h ASN 553 Cb 0.00 0.00 -0.03 0.00 0.05 0.00 0.00 38.32 38.34 3i04 h ASN 553 CO 0.00 0.00 0.32 0.77 -1.65 0.00 0.00 177.43 176.87 3i04 h SER 554 N 0.00 0.41 -0.16 5.81 4.64 -1.34 -1.72 113.55 121.19 3i04 h SER 554 Ca 0.06 -0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.32 3i04 h SER 554 Cb 0.38 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.36 3i04 h SER 554 CO -0.00 0.28 -0.06 0.03 -0.87 0.00 0.00 176.83 176.21 3i04 h ARG 555 N 0.48 0.46 -0.03 4.77 3.08 -1.50 -0.95 114.38 120.69 3i04 h ARG 555 Ca 0.20 -0.11 -0.19 0.00 0.07 0.00 0.00 59.98 59.94 3i04 h ARG 555 Cb 0.19 -0.06 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3i04 h ARG 555 CO -0.05 0.54 -0.81 0.00 -1.07 0.00 0.00 179.97 178.58 3i04 h ALA 556 N 1.50 0.54 -0.12 0.04 0.00 -1.42 -0.95 119.26 118.86 3i04 h ALA 556 Ca 0.09 -0.66 0.03 0.00 0.00 0.00 0.00 54.91 54.37 3i04 h ALA 556 Cb 0.38 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3i04 h ALA 556 CO 0.02 0.82 -0.04 0.28 0.00 0.00 0.00 179.25 180.32 3i04 h VAL 557 N 0.21 0.85 -0.98 0.00 2.07 -1.14 0.26 116.25 117.51 3i04 h VAL 557 Ca -0.04 0.00 0.15 0.00 0.82 0.00 0.00 66.70 67.63 3i04 h VAL 557 Cb 1.41 0.85 -0.09 0.00 -1.52 0.00 0.00 31.29 31.94 3i04 h VAL 557 CO 0.13 0.00 0.59 0.44 0.02 0.00 0.00 177.57 178.76 3i04 h ASP 558 N -0.02 0.81 -0.22 0.57 3.32 -0.91 0.15 116.42 120.12 3i04 h ASP 558 Ca 0.06 0.07 -0.03 0.00 0.02 0.00 0.00 57.03 57.15 3i04 h ASP 558 Cb 0.11 -0.08 -0.01 0.00 0.22 0.00 0.00 39.33 39.57 3i04 h ASP 558 CO -0.13 0.37 0.02 0.25 -1.72 0.00 0.00 179.24 178.02 3i04 h LEU 559 N 0.85 0.36 -0.29 1.55 5.85 -0.89 -0.99 115.31 121.76 3i04 h LEU 559 Ca 0.52 -0.29 0.05 0.00 0.84 0.00 0.00 57.88 59.01 3i04 h LEU 559 Cb 0.67 -0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 3i04 h LEU 559 CO -0.33 0.56 -0.03 0.25 -0.34 0.00 0.00 178.44 178.55 3i04 h LEU 560 N 0.15 -0.17 -1.11 2.25 5.85 -0.05 -1.18 115.31 121.05 3i04 h LEU 560 Ca 0.06 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.86 3i04 h LEU 560 Cb 0.36 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.49 3i04 h LEU 560 CO 0.01 -0.05 0.57 0.24 -0.34 0.00 0.00 178.44 178.86 3i04 h MET 561 N 0.05 1.17 -0.51 1.25 2.86 -0.64 0.92 114.93 120.03 3i04 h MET 561 Ca 0.14 -0.08 -0.08 0.00 -2.06 0.00 0.00 59.70 57.62 3i04 h MET 561 Cb 0.19 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.58 3i04 h MET 561 CO -0.26 0.79 0.02 0.00 1.06 0.00 0.00 176.91 178.52 3i04 h ALA 562 N 1.43 0.68 0.15 6.32 0.00 -0.83 -1.93 119.26 125.09 3i04 h ALA 562 Ca 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 562 Cb -0.11 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.49 3i04 h ALA 562 CO -0.07 0.47 -0.07 0.52 0.00 0.00 0.00 179.25 180.10 3i04 h MET 563 N 0.75 -0.20 -0.55 0.00 2.07 -0.76 -2.57 114.93 113.67 3i04 h MET 563 Ca 0.15 0.01 0.09 0.00 -2.07 0.00 0.00 59.70 57.87 3i04 h MET 563 Cb 0.49 0.05 -0.07 0.00 -1.87 0.00 0.00 31.60 30.20 3i04 h MET 563 CO 0.02 -0.10 0.18 0.00 1.07 0.00 0.00 176.91 178.08 3i04 h ALA 564 N 0.60 0.68 -0.46 6.32 0.00 -0.75 -1.91 119.26 123.75 3i04 h ALA 564 Ca -0.02 0.08 -0.12 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 564 Cb 0.19 0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i04 h ALA 564 CO 0.03 -0.23 -0.17 -0.91 0.00 0.00 0.00 179.25 177.98 3i04 h ASN 565 N 0.35 0.91 -0.05 0.00 2.35 -1.34 0.26 115.58 118.05 3i04 h ASN 565 Ca 0.28 -0.31 -0.10 0.00 -0.55 0.00 0.00 56.30 55.61 3i04 h ASN 565 Cb 0.34 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.45 3i04 h ASN 565 CO -0.30 1.06 -0.26 -0.78 -1.65 0.00 0.00 177.43 175.51 3i04 h ASP 566 N 0.79 0.49 1.45 5.81 1.82 -1.27 -2.70 116.42 122.81 3i04 h ASP 566 Ca 0.12 -0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.55 3i04 h ASP 566 Cb 0.71 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.58 3i04 h ASP 566 CO 0.05 0.74 -0.19 -0.07 -1.61 0.00 0.00 179.24 178.16 3i04 h LEU 567 N 0.43 0.00 -0.48 2.28 3.38 -1.04 -3.48 115.31 116.39 3i04 h LEU 567 Ca 0.06 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3i04 h LEU 567 Cb 0.68 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.45 3i04 h LEU 567 CO 0.05 0.19 -0.11 0.61 0.09 0.00 0.00 178.44 179.27 3i04 n GLY 568 N 0.74 0.54 3.20 0.83 0.00 0.75 -5.06 105.19 106.18 3i04 n GLY 568 Ca 0.02 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.32 3i04 n GLY 568 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i04 s VAL 569 N -2.77 0.92 0.75 1.61 -7.23 -0.27 -5.03 120.40 108.38 3i04 s VAL 569 Ca 0.07 -1.92 -0.11 0.00 -1.81 0.00 0.00 61.98 58.21 3i04 s VAL 569 Cb -0.03 -1.67 0.04 0.00 0.56 0.00 0.00 36.38 35.28 3i04 s VAL 569 CO 0.09 -0.76 1.09 -0.62 -0.31 0.00 0.00 175.10 174.58 3i04 s ASP 570 N -2.96 4.74 0.53 4.85 3.68 -1.26 -4.37 116.67 121.87 3i04 s ASP 570 Ca 0.12 1.79 0.18 0.00 2.13 0.00 0.00 52.55 56.77 3i04 s ASP 570 Cb 0.03 -2.52 1.34 0.00 -1.45 0.00 0.00 42.92 40.31 3i04 s ASP 570 CO -0.02 -1.88 2.16 0.71 0.13 0.00 0.00 175.17 176.27 3i04 h THR 571 N -0.95 0.94 0.00 1.71 1.35 -1.91 -2.43 112.91 111.63 3i04 h THR 571 Ca -0.44 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.42 3i04 h THR 571 Cb 1.23 0.99 0.00 0.00 -1.73 0.00 0.00 68.15 68.64 3i04 h THR 571 CO 0.53 0.00 0.00 -2.65 -0.25 0.00 0.00 175.52 173.15 3i04 n PRO 572 N -4.46 0.03 0.00 4.72 -0.02 -1.24 -1.44 135.00 132.59 3i04 n PRO 572 Ca -0.03 0.33 0.11 0.00 -2.02 0.00 0.00 63.50 61.90 3i04 n PRO 572 Cb 0.10 -1.50 0.03 0.00 -0.02 0.00 0.00 33.50 32.11 3i04 n PRO 572 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i04 n LYS 573 N -1.41 1.22 -2.91 -0.52 5.02 -0.91 -4.93 118.16 113.72 3i04 n LYS 573 Ca 0.02 -0.99 -0.41 0.00 -2.02 0.00 0.00 58.31 54.91 3i04 n LYS 573 Cb 0.06 -1.48 -0.04 0.00 -0.02 0.00 0.00 35.03 33.55 3i04 n LYS 573 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 3i04 s VAL 574 N -2.47 4.94 -1.16 -0.18 1.01 -0.52 -4.86 120.40 117.17 3i04 s VAL 574 Ca 0.19 1.66 -0.21 0.00 0.00 0.00 0.00 61.98 63.62 3i04 s VAL 574 Cb 0.18 -4.14 0.00 0.00 0.00 0.00 0.00 36.38 32.42 3i04 s VAL 574 CO 0.56 0.14 1.77 -2.84 0.00 0.00 0.00 175.10 174.73 3i04 s PRO 575 N 1.40 3.26 -0.07 2.72 0.02 -1.26 -4.83 135.00 136.25 3i04 s PRO 575 Ca 0.41 -1.34 -0.03 0.00 0.02 0.00 0.00 61.00 60.06 3i04 s PRO 575 Cb -0.18 -5.35 0.04 0.00 0.02 0.00 0.00 34.50 29.03 3i04 s PRO 575 CO 0.18 -2.93 0.14 0.12 -0.33 0.00 0.00 177.00 174.19 3i04 s PHE 576 N 7.24 -0.16 -0.00 6.54 5.36 -1.25 -1.66 117.98 134.04 3i04 s PHE 576 Ca 0.59 0.48 0.06 0.00 -0.96 0.00 0.00 56.93 57.10 3i04 s PHE 576 Cb 0.00 -0.11 -0.02 0.00 -0.34 0.00 0.00 43.02 42.56 3i04 s PHE 576 CO 0.05 -0.18 -0.19 0.08 -1.46 0.00 0.00 175.22 173.52 3i04 s VAL 577 N 1.29 1.52 0.02 3.12 1.01 -0.35 -4.17 120.40 122.84 3i04 s VAL 577 Ca -0.08 -0.89 -0.01 0.00 0.00 0.00 0.00 61.98 61.00 3i04 s VAL 577 Cb -0.12 -1.28 -0.04 0.00 0.00 0.00 0.00 36.38 34.95 3i04 s VAL 577 CO -0.06 0.37 0.16 0.00 0.00 0.00 0.00 175.10 175.57 3i04 s ALA 578 N -0.53 3.85 -0.04 5.51 0.00 -0.40 -1.04 121.76 129.11 3i04 s ALA 578 Ca 0.07 -0.84 -0.01 0.00 0.00 0.00 0.00 51.96 51.18 3i04 s ALA 578 Cb -0.08 -1.75 0.03 0.00 0.00 0.00 0.00 23.12 21.33 3i04 s ALA 578 CO -0.00 0.76 0.08 0.45 0.00 0.00 0.00 175.76 177.05 3i04 s SER 579 N -2.13 0.12 -0.65 0.00 0.15 0.83 0.00 113.70 112.02 3i04 s SER 579 Ca 0.29 0.16 0.02 0.00 0.70 0.00 0.00 55.95 57.12 3i04 s SER 579 Cb -0.13 0.04 0.16 0.00 -1.71 0.00 0.00 66.02 64.39 3i04 s SER 579 CO 0.21 -0.15 0.43 0.00 1.20 0.00 0.00 173.24 174.93 3i04 s ALA 580 N 1.26 3.65 0.43 5.45 0.00 0.10 -0.40 121.76 132.25 3i04 s ALA 580 Ca -0.07 -3.54 0.32 0.00 0.00 0.00 0.00 51.96 48.67 3i04 s ALA 580 Cb -0.12 -2.33 1.67 0.00 0.00 0.00 0.00 23.12 22.33 3i04 s ALA 580 CO -0.04 -2.08 2.13 -1.35 0.00 0.00 0.00 175.76 174.42 3i04 h PRO 581 N 6.15 0.00 -0.27 0.00 0.11 -1.82 -1.24 132.00 134.94 3i04 h PRO 581 Ca 0.04 0.00 -0.23 0.00 0.11 0.00 0.00 66.00 65.92 3i04 h PRO 581 Cb 0.85 0.00 -0.32 0.00 0.11 0.00 0.00 31.00 31.64 3i04 h PRO 581 CO 0.72 0.07 -0.91 0.39 -0.21 0.00 0.00 178.00 178.06 3i04 n GLU 582 N -3.46 1.52 -1.60 1.05 1.02 -1.26 -3.70 120.64 114.21 3i04 n GLU 582 Ca -0.02 -3.12 -0.49 0.00 -0.02 0.00 0.00 57.16 53.51 3i04 n GLU 582 Cb 0.20 -1.23 -0.04 0.00 -0.02 0.00 0.00 31.44 30.35 3i04 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i04 n ALA 583 N -0.38 -0.51 0.03 0.62 0.00 -1.18 -2.49 120.51 116.60 3i04 n ALA 583 Ca 0.16 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.08 3i04 n ALA 583 Cb 0.92 -2.09 0.00 0.00 0.00 0.00 0.00 19.45 18.28 3i04 n ALA 583 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.50 177.38 3i04 n MET 584 N 2.11 0.00 -1.26 0.00 0.00 -1.26 -4.70 117.12 112.02 3i04 n MET 584 Ca 0.16 0.00 -0.31 0.00 0.00 0.00 0.00 57.70 57.55 3i04 n MET 584 Cb 0.24 -0.26 0.09 0.00 0.00 0.00 0.00 33.22 33.29 3i04 n MET 584 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 175.97 174.43 3i04 s SER 585 N -5.17 4.41 0.47 6.12 1.04 -1.26 -4.88 113.70 114.42 3i04 s SER 585 Ca 0.00 1.88 0.14 0.00 0.48 0.00 0.00 55.95 58.45 3i04 s SER 585 Cb 0.00 -2.53 1.10 0.00 0.10 0.00 0.00 66.02 64.69 3i04 s SER 585 CO 0.00 -2.10 2.05 1.23 0.98 0.00 0.00 173.24 175.40 3i04 h GLY 586 N -1.07 0.34 0.49 7.32 0.00 -1.93 -2.54 103.07 105.67 3i04 h GLY 586 Ca -0.44 -0.11 0.10 0.00 0.00 0.00 0.00 47.33 46.88 3i04 h GLY 586 CO 0.51 0.09 0.45 0.50 0.00 0.00 0.00 176.54 178.09 3i04 h LYS 587 N 0.28 0.73 -0.15 4.80 1.57 -1.82 -1.01 116.57 120.98 3i04 h LYS 587 Ca 0.16 -0.04 -0.21 0.00 -1.87 0.00 0.00 60.65 58.69 3i04 h LYS 587 Cb 0.30 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.45 3i04 h LYS 587 CO -0.03 0.48 -0.73 0.00 -0.57 0.00 0.00 179.45 178.60 3i04 h ALA 588 N 1.46 0.43 -0.50 3.86 0.00 -1.81 -0.28 119.26 122.41 3i04 h ALA 588 Ca 0.40 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.82 3i04 h ALA 588 Cb 0.39 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.06 3i04 h ALA 588 CO -0.26 0.71 -0.06 0.00 0.00 0.00 0.00 179.25 179.64 3i04 h ALA 589 N 0.70 0.41 -0.47 0.00 0.00 -1.26 -1.04 119.26 117.61 3i04 h ALA 589 Ca -0.04 0.17 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 589 Cb 1.34 0.32 -0.02 0.00 0.00 0.00 0.00 17.79 19.43 3i04 h ALA 589 CO 0.14 -0.42 -0.03 0.00 0.00 0.00 0.00 179.25 178.95 3i04 h ALA 590 N 1.48 0.64 -0.42 0.00 0.00 -0.96 -1.93 119.26 118.07 3i04 h ALA 590 Ca 0.25 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i04 h ALA 590 Cb 0.38 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3i04 h ALA 590 CO -0.47 0.46 0.26 0.82 0.00 0.00 0.00 179.25 180.32 3i04 h ILE 591 N 0.70 1.13 -0.33 0.00 2.04 -0.90 -1.01 117.51 119.13 3i04 h ILE 591 Ca 0.13 -0.29 -0.07 0.00 1.00 0.00 0.00 64.86 65.63 3i04 h ILE 591 Cb 0.54 0.57 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3i04 h ILE 591 CO 0.03 0.13 -0.09 1.23 0.00 0.00 0.00 178.15 179.45 3i04 h GLY 592 N 0.55 0.60 1.01 5.37 0.00 -1.10 -2.18 103.07 107.33 3i04 h GLY 592 Ca 0.15 -0.41 -0.02 0.00 0.00 0.00 0.00 47.33 47.05 3i04 h GLY 592 CO -0.03 0.38 0.42 -0.84 0.00 0.00 0.00 176.54 176.47 3i04 h THR 593 N 0.52 1.23 0.00 4.70 2.02 -0.90 -2.66 112.91 117.83 3i04 h THR 593 Ca 0.10 -0.58 -0.14 0.00 0.77 0.00 0.00 66.41 66.56 3i04 h THR 593 Cb 0.47 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.07 3i04 h THR 593 CO 0.03 0.26 -0.65 4.11 0.37 0.00 0.00 175.52 179.63 3i04 h TRP 594 N 1.07 0.00 -0.23 3.16 5.08 -0.89 -2.24 115.95 121.90 3i04 h TRP 594 Ca 0.27 0.00 0.02 0.00 1.08 0.00 0.00 58.89 60.26 3i04 h TRP 594 Cb 0.04 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.18 3i04 h TRP 594 CO 0.00 0.65 0.09 -1.49 -1.28 0.00 0.00 178.44 176.42 3i04 h TRP 595 N 0.00 0.17 -0.21 0.12 -0.00 -1.36 0.35 115.95 115.02 3i04 h TRP 595 Ca -0.01 0.01 0.05 0.00 -0.00 0.00 0.00 58.89 58.95 3i04 h TRP 595 Cb 1.21 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 30.27 3i04 h TRP 595 CO 0.00 0.09 -0.13 0.28 -0.00 0.00 0.00 178.44 178.67 3i04 h VAL 596 N 0.21 0.61 -0.55 1.49 2.07 -1.44 -1.64 116.25 116.99 3i04 h VAL 596 Ca 0.10 0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.67 3i04 h VAL 596 Cb 0.05 0.61 -0.03 0.00 -1.52 0.00 0.00 31.29 30.40 3i04 h VAL 596 CO -0.09 0.00 0.37 0.28 0.02 0.00 0.00 177.57 178.15 3i04 h SER 597 N -0.12 0.46 -0.19 0.57 0.02 -1.04 -0.87 113.55 112.38 3i04 h SER 597 Ca 0.12 -0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3i04 h SER 597 Cb 0.30 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.74 3i04 h SER 597 CO -0.29 0.31 0.00 0.18 -1.14 0.00 0.00 176.83 175.89 3i04 n LEU 598 N -4.47 1.21 0.00 5.07 4.77 0.12 -4.90 117.00 118.79 3i04 n LEU 598 Ca 0.07 -0.57 0.00 0.00 -0.03 0.00 0.00 56.01 55.48 3i04 n LEU 598 Cb 0.22 -0.13 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3i04 n LEU 598 CO 0.34 0.29 0.00 0.61 -1.33 0.00 0.00 177.39 177.30 3i04 n GLY 599 N 0.93 0.93 3.45 -0.72 0.00 -0.34 -4.71 105.19 104.74 3i04 n GLY 599 Ca 0.11 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 3i04 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 600 N -2.00 2.97 0.22 1.61 1.01 -0.78 -3.67 120.40 119.77 3i04 s VAL 600 Ca 0.00 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.92 3i04 s VAL 600 Cb 0.00 -2.16 -0.10 0.00 0.00 0.00 0.00 36.38 34.12 3i04 s VAL 600 CO 0.00 0.59 1.43 -2.84 0.00 0.00 0.00 175.10 174.28 3i04 s PRO 601 N -0.64 4.28 -0.29 2.72 0.02 -1.26 -3.00 135.00 136.83 3i04 s PRO 601 Ca 0.10 2.25 -0.00 0.00 0.02 0.00 0.00 61.00 63.37 3i04 s PRO 601 Cb -0.11 -3.14 0.09 0.00 0.02 0.00 0.00 34.50 31.36 3i04 s PRO 601 CO 0.01 -0.42 0.07 0.99 -0.33 0.00 0.00 177.00 177.32 3i04 s THR 602 N 0.23 1.09 0.14 0.99 2.01 -0.24 -1.28 115.64 118.59 3i04 s THR 602 Ca 0.61 -1.40 -0.29 0.00 0.31 0.00 0.00 61.69 60.91 3i04 s THR 602 Cb -0.41 -1.74 -0.07 0.00 0.01 0.00 0.00 72.50 70.29 3i04 s THR 602 CO 0.40 -0.55 0.93 -2.28 -0.69 0.00 0.00 174.62 172.43 3i04 s HIS 603 N 1.53 3.86 -0.08 4.92 5.04 0.10 -0.54 115.29 130.11 3i04 s HIS 603 Ca 0.07 1.80 0.01 0.00 -1.54 0.00 0.00 55.06 55.40 3i04 s HIS 603 Cb -0.18 -3.00 0.02 0.00 0.04 0.00 0.00 32.58 29.46 3i04 s HIS 603 CO -0.19 0.30 -0.11 0.08 -2.34 0.00 0.00 174.74 172.48 3i04 s VAL 604 N -0.39 1.11 -1.54 0.89 1.01 -0.52 0.01 120.40 120.97 3i04 s VAL 604 Ca 0.44 -0.42 0.14 0.00 0.00 0.00 0.00 61.98 62.14 3i04 s VAL 604 Cb -0.24 -1.05 0.48 0.00 0.00 0.00 0.00 36.38 35.57 3i04 s VAL 604 CO 0.30 0.36 1.37 0.61 0.00 0.00 0.00 175.10 177.74 3i04 n GLY 605 N 4.21 1.73 3.05 4.51 0.00 -0.47 -2.61 105.19 115.62 3i04 n GLY 605 Ca -0.19 -0.58 -0.09 0.00 0.00 0.00 0.00 46.02 45.16 3i04 n GLY 605 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3i04 s THR 606 N -1.59 0.15 -0.23 2.61 -4.23 -1.26 -4.20 115.64 106.88 3i04 s THR 606 Ca 0.35 -1.21 -0.12 0.00 -1.18 0.00 0.00 61.69 59.53 3i04 s THR 606 Cb 0.21 -0.80 -0.05 0.00 1.34 0.00 0.00 72.50 73.20 3i04 s THR 606 CO 0.19 -0.67 0.22 -0.32 -0.54 0.00 0.00 174.62 173.51 3i04 s MET 607 N -2.48 4.09 0.92 3.99 1.75 -1.26 -4.88 119.30 121.43 3i04 s MET 607 Ca -0.06 -0.15 -0.12 0.00 -1.25 0.00 0.00 55.69 54.11 3i04 s MET 607 Cb -0.02 -3.55 0.14 0.00 2.84 0.00 0.00 34.83 34.24 3i04 s MET 607 CO -0.04 0.02 1.09 -2.14 -0.65 0.00 0.00 175.02 173.30 3i04 s PRO 608 N 1.17 1.06 -0.96 4.11 0.02 -1.26 -4.87 135.00 134.26 3i04 s PRO 608 Ca 0.10 0.74 -0.16 0.00 0.02 0.00 0.00 61.00 61.70 3i04 s PRO 608 Cb -0.14 -1.79 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 3i04 s PRO 608 CO 0.06 -2.36 2.08 -0.35 -0.33 0.00 0.00 177.00 176.10 3i04 n PRO 609 N -3.95 1.98 0.00 5.54 -0.04 -1.26 -4.46 135.00 132.81 3i04 n PRO 609 Ca 0.07 -1.87 0.00 0.00 -0.04 0.00 0.00 63.50 61.65 3i04 n PRO 609 Cb 0.56 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 31.18 3i04 n PRO 609 CO 0.00 0.00 0.00 1.33 -0.04 0.00 0.00 175.50 176.79 3i04 n VAL 610 N 5.25 0.00 0.20 0.52 0.24 -1.24 -3.74 118.33 119.56 3i04 n VAL 610 Ca 0.50 -0.40 0.10 0.00 -2.04 0.00 0.00 64.34 62.50 3i04 n VAL 610 Cb 0.32 1.03 0.16 0.00 -1.47 0.00 0.00 33.84 33.88 3i04 n VAL 610 CO 0.00 0.00 0.00 -0.33 -2.14 0.00 0.00 176.83 174.36 3i04 h GLU 611 N 0.00 0.00 0.00 7.34 5.08 -1.75 -3.09 114.58 122.16 3i04 h GLU 611 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3i04 h GLU 611 Cb 0.02 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.27 3i04 h GLU 611 CO 0.00 0.13 0.00 0.41 -1.00 0.00 0.00 179.01 178.55 3i04 n GLY 612 N 1.08 -0.69 2.81 -3.84 0.00 0.28 -4.48 105.19 100.35 3i04 n GLY 612 Ca 0.03 -0.04 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 3i04 n GLY 612 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i04 s SER 613 N -2.80 1.94 0.16 1.61 0.15 -1.17 -4.90 113.70 108.70 3i04 s SER 613 Ca 0.06 -0.25 -0.03 0.00 0.70 0.00 0.00 55.95 56.44 3i04 s SER 613 Cb 0.06 -0.58 0.02 0.00 -1.71 0.00 0.00 66.02 63.80 3i04 s SER 613 CO 0.15 -0.19 1.40 0.44 1.20 0.00 0.00 173.24 176.24 3i04 h ASP 614 N 8.27 0.51 0.20 5.45 3.32 -1.84 -1.61 116.42 130.72 3i04 h ASP 614 Ca -0.22 -0.35 -0.01 0.00 0.02 0.00 0.00 57.03 56.47 3i04 h ASP 614 Cb 1.12 -0.15 0.00 0.00 0.22 0.00 0.00 39.33 40.52 3i04 h ASP 614 CO 0.31 1.11 -0.10 0.25 -1.72 0.00 0.00 179.24 179.09 3i04 h LEU 615 N 0.28 -0.23 -0.24 1.55 6.46 -1.95 -0.16 115.31 121.01 3i04 h LEU 615 Ca -0.04 -0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.69 3i04 h LEU 615 Cb 1.36 0.06 -0.01 0.00 -0.73 0.00 0.00 40.66 41.34 3i04 h LEU 615 CO 0.13 -0.15 0.03 0.40 -0.62 0.00 0.00 178.44 178.23 3i04 h ILE 616 N -0.29 1.24 -0.69 4.05 1.08 -1.87 -2.13 117.51 118.90 3i04 h ILE 616 Ca -0.03 -0.80 0.15 0.00 -0.39 0.00 0.00 64.86 63.79 3i04 h ILE 616 Cb 0.22 1.29 -0.11 0.00 -3.07 0.00 0.00 36.82 35.15 3i04 h ILE 616 CO 0.05 0.25 0.06 0.22 -0.69 0.00 0.00 178.15 178.04 3i04 h TYR 617 N 0.21 0.06 -0.16 1.37 5.03 -1.29 0.72 116.97 122.90 3i04 h TYR 617 Ca 0.07 0.05 -0.19 0.00 2.58 0.00 0.00 58.73 61.24 3i04 h TYR 617 Cb 0.35 0.08 0.00 0.00 1.55 0.00 0.00 36.73 38.71 3i04 h TYR 617 CO 0.02 -0.16 -0.67 1.03 -1.32 0.00 0.00 178.16 177.06 3i04 h SER 618 N 0.16 0.73 -0.70 -2.11 0.87 -0.88 -0.22 113.55 111.40 3i04 h SER 618 Ca 0.38 -0.44 0.02 0.00 -1.23 0.00 0.00 61.79 60.52 3i04 h SER 618 Cb 0.64 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.35 3i04 h SER 618 CO -0.56 1.20 0.45 0.40 -0.53 0.00 0.00 176.83 177.79 3i04 h ILE 619 N 0.45 1.13 -0.37 2.23 2.04 -0.66 0.51 117.51 122.84 3i04 h ILE 619 Ca -0.02 -0.30 -0.13 0.00 1.00 0.00 0.00 64.86 65.40 3i04 h ILE 619 Cb 1.26 0.16 -0.01 0.00 -0.74 0.00 0.00 36.82 37.49 3i04 h ILE 619 CO 0.13 0.16 -0.29 -0.07 0.00 0.00 0.00 178.15 178.09 3i04 h LEU 620 N 0.89 0.90 0.00 1.44 3.38 -0.54 0.21 115.31 121.58 3i04 h LEU 620 Ca 0.27 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.80 3i04 h LEU 620 Cb -0.03 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.47 3i04 h LEU 620 CO -0.09 1.15 -1.67 0.35 0.09 0.00 0.00 178.44 178.28 3i04 n THR 621 N -4.17 0.05 0.06 0.22 -2.24 -0.12 -1.30 114.28 106.77 3i04 n THR 621 Ca -0.02 -0.38 0.00 0.00 -2.27 0.00 0.00 64.05 61.38 3i04 n THR 621 Cb 0.48 0.20 0.00 0.00 -2.10 0.00 0.00 70.33 68.92 3i04 n THR 621 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n GLN 622 N -2.10 0.00 0.10 -0.78 6.02 0.16 -4.56 117.38 116.22 3i04 n GLN 622 Ca -0.02 0.00 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 3i04 n GLN 622 Cb 0.51 -0.38 0.20 0.00 1.02 0.00 0.00 30.24 31.59 3i04 n GLN 622 CO 0.00 0.00 0.00 0.82 -1.01 0.00 0.00 177.06 176.87 3i04 h ILE 623 N 0.00 1.35 -0.77 5.09 1.08 -0.86 -2.01 117.51 121.38 3i04 h ILE 623 Ca 0.00 -1.71 0.15 0.00 -0.39 0.00 0.00 64.86 62.91 3i04 h ILE 623 Cb 0.00 1.84 -0.05 0.00 -3.07 0.00 0.00 36.82 35.54 3i04 h ILE 623 CO 0.00 0.50 0.51 0.00 -0.69 0.00 0.00 178.15 178.48 3i04 h ALA 624 N 1.35 2.13 0.00 1.87 0.00 -0.80 0.23 119.26 124.03 3i04 h ALA 624 Ca 0.01 0.00 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 3i04 h ALA 624 Cb 0.92 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 3i04 h ALA 624 CO 0.07 -0.34 -0.31 0.66 0.00 0.00 0.00 179.25 179.34 3i04 h SER 625 N 0.41 0.00 0.49 0.00 4.64 -0.86 0.29 113.55 118.52 3i04 h SER 625 Ca 0.38 0.00 -0.30 0.00 -0.47 0.00 0.00 61.79 61.40 3i04 h SER 625 Cb 0.88 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.99 3i04 h SER 625 CO -0.12 0.31 -1.35 0.44 -0.87 0.00 0.00 176.83 175.24 3i04 h ASP 626 N 0.00 0.59 0.00 4.97 3.32 -1.08 -3.09 116.42 121.13 3i04 h ASP 626 Ca -0.00 -0.63 -0.01 0.00 0.02 0.00 0.00 57.03 56.41 3i04 h ASP 626 Cb 0.61 -0.19 -0.00 0.00 0.22 0.00 0.00 39.33 39.97 3i04 h ASP 626 CO 0.04 1.50 -0.20 0.58 -1.72 0.00 0.00 179.24 179.44 3i04 h VAL 627 N 0.10 0.12 0.03 -1.35 2.07 -0.84 -3.41 116.25 112.97 3i04 h VAL 627 Ca -0.19 -1.10 -0.34 0.00 0.82 0.00 0.00 66.70 65.89 3i04 h VAL 627 Cb 2.05 0.24 -0.05 0.00 -1.52 0.00 0.00 31.29 32.02 3i04 h VAL 627 CO 0.23 0.04 -2.00 -1.22 0.02 0.00 0.00 177.57 174.65 3i04 n TYR 628 N -4.71 0.77 0.00 1.57 4.02 0.85 -5.01 117.16 114.66 3i04 n TYR 628 Ca -0.04 0.23 0.00 0.00 -0.01 0.00 0.00 57.90 58.08 3i04 n TYR 628 Cb 0.13 -1.13 0.00 0.00 -0.02 0.00 0.00 39.34 38.32 3i04 n TYR 628 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i04 n GLY 629 N 1.78 3.08 3.98 2.72 0.00 -0.13 -4.43 105.19 112.19 3i04 n GLY 629 Ca -0.27 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.57 3i04 n GLY 629 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3i04 s GLY 630 N -2.70 1.99 -0.15 -0.02 0.00 -1.19 -4.55 107.32 100.70 3i04 s GLY 630 Ca 0.00 -1.74 -0.33 0.00 0.00 0.00 0.00 44.72 42.66 3i04 s GLY 630 CO 0.00 -1.55 1.11 -2.52 0.00 0.00 0.00 173.10 170.14 3i04 s TYR 631 N -2.39 -0.21 0.08 1.90 -0.85 -1.16 -2.19 117.35 112.53 3i04 s TYR 631 Ca 0.53 0.17 -0.23 0.00 -0.52 0.00 0.00 57.07 57.03 3i04 s TYR 631 Cb -0.08 0.51 -0.07 0.00 0.38 0.00 0.00 41.96 42.71 3i04 s TYR 631 CO 0.32 -0.30 0.68 -0.06 -1.52 0.00 0.00 175.55 174.67 3i04 s PHE 632 N -2.37 3.80 -0.37 -3.49 0.40 -0.42 -1.08 117.98 114.45 3i04 s PHE 632 Ca 0.07 1.41 -0.06 0.00 -0.60 0.00 0.00 56.93 57.74 3i04 s PHE 632 Cb -0.01 -2.67 0.06 0.00 0.51 0.00 0.00 43.02 40.91 3i04 s PHE 632 CO -0.05 0.45 0.15 0.42 0.70 0.00 0.00 175.22 176.89 3i04 s ILE 633 N -0.70 3.78 -0.29 0.64 1.01 0.30 -4.45 121.20 121.48 3i04 s ILE 633 Ca 0.33 -1.36 -0.12 0.00 0.00 0.00 0.00 60.65 59.50 3i04 s ILE 633 Cb -0.21 -3.25 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3i04 s ILE 633 CO 0.22 -0.34 0.24 -0.36 0.00 0.00 0.00 174.94 174.70 3i04 s PHE 634 N 1.36 3.23 -0.29 3.97 2.99 -1.26 -1.44 117.98 126.54 3i04 s PHE 634 Ca 0.01 0.12 -0.00 0.00 0.00 0.00 0.00 56.93 57.05 3i04 s PHE 634 Cb -0.21 -2.45 0.18 0.00 0.00 0.00 0.00 43.02 40.54 3i04 s PHE 634 CO 0.01 -0.22 0.54 -2.00 -0.00 0.00 0.00 175.22 173.56 3i04 s GLU 635 N 1.83 0.52 0.34 0.44 2.56 -1.07 -3.62 118.70 119.69 3i04 s GLU 635 Ca 0.09 0.80 0.24 0.00 0.00 0.00 0.00 54.97 56.09 3i04 s GLU 635 Cb -0.16 0.26 0.44 0.00 2.00 0.00 0.00 34.13 36.67 3i04 s GLU 635 CO 0.11 -0.71 1.59 0.52 -0.56 0.00 0.00 175.26 176.20 3i04 h MET 636 N 8.04 0.00 -6.29 4.30 2.86 -1.82 -3.38 114.93 118.65 3i04 h MET 636 Ca -0.18 0.00 -0.59 0.00 -2.06 0.00 0.00 59.70 56.87 3i04 h MET 636 Cb 1.16 0.00 -0.10 0.00 0.06 0.00 0.00 31.60 32.73 3i04 h MET 636 CO 0.25 0.00 0.67 0.34 1.06 0.00 0.00 176.91 179.23 3i04 s ASP 637 N -5.57 6.54 0.57 1.22 3.68 -1.26 -4.93 116.67 116.91 3i04 s ASP 637 Ca 0.07 0.22 0.32 0.00 2.13 0.00 0.00 52.55 55.29 3i04 s ASP 637 Cb 0.08 -2.48 1.73 0.00 -1.45 0.00 0.00 42.92 40.80 3i04 s ASP 637 CO 0.66 -1.10 2.17 1.55 0.13 0.00 0.00 175.17 178.58 3i04 h PRO 638 N 9.10 0.00 -0.10 4.34 0.13 -1.92 0.03 132.00 143.57 3i04 h PRO 638 Ca -0.24 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.75 3i04 h PRO 638 Cb 1.07 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i04 h PRO 638 CO 1.05 0.06 -0.48 1.96 -0.23 0.00 0.00 178.00 180.36 3i04 h GLN 639 N 0.00 0.51 -0.68 0.86 1.08 -1.92 -2.40 115.11 112.56 3i04 h GLN 639 Ca -0.00 -0.41 -0.03 0.00 -1.45 0.00 0.00 58.65 56.76 3i04 h GLN 639 Cb 0.21 0.08 -0.03 0.00 -0.05 0.00 0.00 27.48 27.69 3i04 h GLN 639 CO 0.01 1.04 0.31 0.28 -0.95 0.00 0.00 178.83 179.51 3i04 h VAL 640 N 0.10 1.23 -0.08 -0.54 2.07 -1.84 -2.77 116.25 114.42 3i04 h VAL 640 Ca -0.03 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 66.86 3i04 h VAL 640 Cb 1.12 0.42 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 3i04 h VAL 640 CO 0.10 0.27 -0.19 0.00 0.02 0.00 0.00 177.57 177.78 3i04 h ALA 641 N 1.14 -0.16 -0.82 1.67 0.00 -1.02 0.50 119.26 120.56 3i04 h ALA 641 Ca 0.23 0.03 0.05 0.00 0.00 0.00 0.00 54.91 55.22 3i04 h ALA 641 Cb 0.14 0.35 -0.06 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 641 CO -0.03 -0.66 0.51 0.00 0.00 0.00 0.00 179.25 179.08 3i04 h ALA 642 N 0.72 1.11 -0.26 0.00 0.00 -1.40 0.59 119.26 120.01 3i04 h ALA 642 Ca 0.08 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 642 Cb 0.38 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.91 3i04 h ALA 642 CO -0.23 0.29 0.12 -0.09 0.00 0.00 0.00 179.25 179.34 3i04 h ARG 643 N 0.97 0.38 -0.76 0.00 2.43 -1.10 0.61 114.38 116.90 3i04 h ARG 643 Ca 0.35 -0.06 0.06 0.00 -0.81 0.00 0.00 59.98 59.52 3i04 h ARG 643 Cb 0.10 -0.07 -0.05 0.00 -0.42 0.00 0.00 29.97 29.54 3i04 h ARG 643 CO -0.15 0.37 0.50 0.87 -1.51 0.00 0.00 179.97 180.06 3i04 h LYS 644 N 0.29 0.81 -0.27 0.20 1.57 0.10 -1.52 116.57 117.75 3i04 h LYS 644 Ca 0.09 -0.05 -0.08 0.00 -1.87 0.00 0.00 60.65 58.74 3i04 h LYS 644 Cb 0.12 -0.18 -0.01 0.00 0.08 0.00 0.00 32.23 32.24 3i04 h LYS 644 CO -0.01 0.53 -0.16 0.82 -0.57 0.00 0.00 179.45 180.07 3i04 h ILE 645 N 0.83 1.30 -0.68 1.86 2.04 0.72 -1.37 117.51 122.21 3i04 h ILE 645 Ca 0.33 -1.26 -0.01 0.00 1.00 0.00 0.00 64.86 64.91 3i04 h ILE 645 Cb 0.22 1.55 -0.03 0.00 -0.74 0.00 0.00 36.82 37.81 3i04 h ILE 645 CO -0.11 0.40 0.39 -0.07 0.00 0.00 0.00 178.15 178.76 3i04 h LEU 646 N 0.31 0.82 -0.74 1.44 3.38 -0.68 -0.82 115.31 119.02 3i04 h LEU 646 Ca 0.06 -0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.98 3i04 h LEU 646 Cb 0.68 -0.21 -0.04 0.00 0.09 0.00 0.00 40.66 41.18 3i04 h LEU 646 CO 0.04 0.65 0.48 0.44 0.09 0.00 0.00 178.44 180.15 3i04 h ASP 647 N 0.94 0.86 -0.19 -0.43 3.32 -0.99 0.95 116.42 120.88 3i04 h ASP 647 Ca 0.24 -0.03 -0.12 0.00 0.02 0.00 0.00 57.03 57.15 3i04 h ASP 647 Cb -0.01 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3i04 h ASP 647 CO -0.04 0.63 -0.27 0.00 -1.72 0.00 0.00 179.24 177.84 3i04 h ALA 648 N 1.26 0.91 -0.24 3.45 0.00 -0.50 0.76 119.26 124.91 3i04 h ALA 648 Ca 0.27 -0.38 -0.19 0.00 0.00 0.00 0.00 54.91 54.61 3i04 h ALA 648 Cb -0.10 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.56 3i04 h ALA 648 CO -0.06 0.62 -0.60 -0.07 0.00 0.00 0.00 179.25 179.15 3i04 h LEU 649 N 0.58 0.93 -0.29 0.00 3.38 -1.00 -3.11 115.31 115.81 3i04 h LEU 649 Ca 0.08 -0.57 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3i04 h LEU 649 Cb 0.76 -0.27 -0.02 0.00 0.09 0.00 0.00 40.66 41.23 3i04 h LEU 649 CO 0.06 1.33 0.19 -0.08 0.09 0.00 0.00 178.44 180.03 3i04 h GLU 650 N 0.58 0.37 -0.83 1.13 4.22 -0.64 -0.90 114.58 118.51 3i04 h GLU 650 Ca -0.01 -0.02 0.20 0.00 0.08 0.00 0.00 59.36 59.61 3i04 h GLU 650 Cb 1.21 -0.08 -0.15 0.00 0.50 0.00 0.00 28.75 30.23 3i04 h GLU 650 CO 0.13 0.24 0.03 -0.92 -2.18 0.00 0.00 179.01 176.32 3i04 h TYR 651 N 0.38 -0.01 -0.02 0.92 3.20 -0.87 0.24 116.97 120.81 3i04 h TYR 651 Ca 0.11 0.06 -0.23 0.00 3.14 0.00 0.00 58.73 61.81 3i04 h TYR 651 Cb -0.04 0.14 0.02 0.00 1.54 0.00 0.00 36.73 38.39 3i04 h TYR 651 CO -0.06 -0.28 -0.88 0.00 -1.64 0.00 0.00 178.16 175.30 3i04 h ARG 652 N 0.10 0.63 -0.28 1.82 3.08 -1.36 -1.31 114.38 117.05 3i04 h ARG 652 Ca 0.47 -0.65 -0.13 0.00 0.07 0.00 0.00 59.98 59.74 3i04 h ARG 652 Cb 0.88 0.18 -0.01 0.00 0.08 0.00 0.00 29.97 31.10 3i04 h ARG 652 CO -0.73 1.25 -0.37 1.79 -1.07 0.00 0.00 179.97 180.84 3i04 h THR 653 N 0.26 1.29 0.57 2.04 1.35 -0.78 -1.24 112.91 116.41 3i04 h THR 653 Ca -0.10 -1.52 -0.02 0.00 -0.55 0.00 0.00 66.41 64.21 3i04 h THR 653 Cb 1.54 1.47 -0.01 0.00 -1.73 0.00 0.00 68.15 69.43 3i04 h THR 653 CO 0.17 0.49 -0.40 -0.25 -0.25 0.00 0.00 175.52 175.28 3i04 h TRP 654 N 0.53 -1.09 -0.42 4.73 7.01 -0.52 -1.80 115.95 124.38 3i04 h TRP 654 Ca 0.05 -0.00 -0.05 0.00 2.11 0.00 0.00 58.89 61.00 3i04 h TRP 654 Cb 0.88 0.40 -0.02 0.00 -2.10 0.00 0.00 29.16 28.32 3i04 h TRP 654 CO 0.04 -0.58 0.05 -0.22 -2.79 0.00 0.00 178.44 174.94 3i04 h LYS 655 N -0.93 0.65 -0.59 2.65 3.64 -1.22 0.03 116.57 120.81 3i04 h LYS 655 Ca -0.08 -0.14 -0.01 0.00 -1.27 0.00 0.00 60.65 59.16 3i04 h LYS 655 Cb 0.76 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 32.46 3i04 h LYS 655 CO 0.04 0.64 0.35 1.25 -2.27 0.00 0.00 179.45 179.45 3i04 h LEU 656 N 0.63 0.71 -0.33 5.20 6.46 -1.27 0.11 115.31 126.82 3i04 h LEU 656 Ca 0.14 -0.07 -0.08 0.00 -0.12 0.00 0.00 57.88 57.75 3i04 h LEU 656 Cb 0.32 -0.18 -0.01 0.00 -0.73 0.00 0.00 40.66 40.06 3i04 h LEU 656 CO 0.01 0.57 -0.09 1.23 -0.62 0.00 0.00 178.44 179.54 3i04 h GLY 657 N 0.79 0.71 0.97 3.75 0.00 -0.34 -0.72 103.07 108.23 3i04 h GLY 657 Ca 0.21 -0.59 -0.00 0.00 0.00 0.00 0.00 47.33 46.95 3i04 h GLY 657 CO -0.04 0.54 0.09 -2.08 0.00 0.00 0.00 176.54 175.05 3i04 h VAL 658 N 0.43 1.06 -0.83 4.60 2.07 -0.90 -1.82 116.25 120.87 3i04 h VAL 658 Ca 0.08 -0.15 0.02 0.00 0.82 0.00 0.00 66.70 67.47 3i04 h VAL 658 Cb 0.60 0.90 -0.04 0.00 -1.52 0.00 0.00 31.29 31.22 3i04 h VAL 658 CO 0.04 0.06 0.55 0.45 0.02 0.00 0.00 177.57 178.68 3i04 h HIS 659 N 0.17 1.03 -0.24 1.57 -0.00 -0.63 -0.02 115.15 117.03 3i04 h HIS 659 Ca 0.05 0.02 -0.03 0.00 -0.00 0.00 0.00 60.37 60.42 3i04 h HIS 659 Cb 0.02 -0.35 -0.01 0.00 -0.00 0.00 0.00 27.41 27.07 3i04 h HIS 659 CO -0.06 0.63 0.03 0.87 -0.00 0.00 0.00 177.93 179.41 3i04 h LYS 660 N 1.10 0.40 -0.07 2.45 1.57 -0.88 -0.36 116.57 120.77 3i04 h LYS 660 Ca 0.31 -0.11 0.03 0.00 -1.87 0.00 0.00 60.65 59.01 3i04 h LYS 660 Cb -0.08 -0.05 -0.04 0.00 0.08 0.00 0.00 32.23 32.14 3i04 h LYS 660 CO -0.08 0.54 -0.15 0.93 -0.57 0.00 0.00 179.45 180.13 3i04 h GLU 661 N 0.20 -0.20 -0.49 3.15 5.08 -1.02 -1.89 114.58 119.42 3i04 h GLU 661 Ca 0.07 0.01 0.04 0.00 -1.00 0.00 0.00 59.36 58.48 3i04 h GLU 661 Cb 0.33 0.05 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3i04 h GLU 661 CO 0.01 -0.13 0.26 0.28 -1.00 0.00 0.00 179.01 178.42 3i04 h VAL 662 N -0.21 0.98 0.00 3.13 2.07 -0.94 -0.55 116.25 120.73 3i04 h VAL 662 Ca 0.07 -0.17 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3i04 h VAL 662 Cb 0.31 0.43 -0.01 0.00 -1.52 0.00 0.00 31.29 30.50 3i04 h VAL 662 CO -0.19 0.09 -0.24 0.00 0.02 0.00 0.00 177.57 177.24 3i04 h ALA 663 N 1.25 1.55 0.01 1.67 0.00 -0.88 -1.14 119.26 121.72 3i04 h ALA 663 Ca 0.21 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 663 Cb 0.10 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3i04 h ALA 663 CO -0.14 0.30 -0.00 1.49 0.00 0.00 0.00 179.25 180.90 3i04 h GLU 664 N 0.00 -0.01 -0.93 0.00 4.81 -0.79 -0.78 114.58 116.87 3i04 h GLU 664 Ca -0.00 0.00 0.08 0.00 -0.13 0.00 0.00 59.36 59.31 3i04 h GLU 664 Cb 0.44 0.00 -0.07 0.00 0.63 0.00 0.00 28.75 29.76 3i04 h GLU 664 CO 0.03 0.59 0.58 -0.09 -0.73 0.00 0.00 179.01 179.40 3i04 h ARG 665 N -0.62 0.99 -0.02 1.92 2.43 -0.90 -2.91 114.38 115.27 3i04 h ARG 665 Ca -0.00 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3i04 h ARG 665 Cb 0.61 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3i04 h ARG 665 CO 0.00 0.66 -0.22 0.66 -1.51 0.00 0.00 179.97 179.56 3i04 n TYR 666 N -4.60 0.00 -3.32 2.20 4.02 -0.45 -5.01 117.16 110.01 3i04 n TYR 666 Ca 0.15 0.00 -0.16 0.00 -0.01 0.00 0.00 57.90 57.88 3i04 n TYR 666 Cb 0.23 0.00 0.08 0.00 -0.02 0.00 0.00 39.34 39.62 3i04 n TYR 666 CO 0.00 0.00 0.00 0.39 -1.01 0.00 0.00 176.86 176.24 3i04 n GLU 667 N 0.70 -4.21 -4.53 -0.72 1.02 -0.53 -5.04 120.64 107.33 3i04 n GLU 667 Ca 0.12 0.85 -0.25 0.00 -0.02 0.00 0.00 57.16 57.86 3i04 n GLU 667 Cb 0.53 -5.82 -0.10 0.00 -0.02 0.00 0.00 31.44 26.02 3i04 n GLU 667 CO 0.00 0.00 0.00 0.95 1.18 0.00 0.00 177.13 179.26 3i04 s THR 668 N -3.37 1.26 0.79 2.62 -4.23 -0.41 -5.05 115.64 107.24 3i04 s THR 668 Ca 0.25 -2.00 -0.13 0.00 -1.18 0.00 0.00 61.69 58.63 3i04 s THR 668 Cb -0.03 -2.69 0.07 0.00 1.34 0.00 0.00 72.50 71.19 3i04 s THR 668 CO 0.73 0.00 1.16 -0.54 -0.54 0.00 0.00 174.62 175.43 3i04 s LYS 669 N -3.82 1.88 0.28 3.99 3.01 -1.26 -4.73 119.74 119.09 3i04 s LYS 669 Ca 0.31 1.55 -0.30 0.00 -1.01 0.00 0.00 55.97 56.52 3i04 s LYS 669 Cb 0.07 -1.82 -0.10 0.00 -1.01 0.00 0.00 37.83 34.96 3i04 s LYS 669 CO 0.14 -1.99 1.44 -1.17 0.51 0.00 0.00 175.35 174.29 3i04 s LEU 670 N -5.71 4.38 0.25 3.17 2.96 -1.26 -4.81 118.68 117.66 3i04 s LEU 670 Ca 0.69 2.75 -0.30 0.00 -0.22 0.00 0.00 54.13 57.04 3i04 s LEU 670 Cb -0.24 -3.63 -0.10 0.00 0.50 0.00 0.00 46.19 42.71 3i04 s LEU 670 CO 0.51 -0.72 1.45 0.00 -1.32 0.00 0.00 176.35 176.27 3i04 n GLN 672 N 2.33 2.85 -1.96 0.00 1.13 -1.26 -4.96 117.38 115.52 3i04 n GLN 672 Ca 0.07 -2.60 -0.38 0.00 -1.94 0.00 0.00 57.00 52.15 3i04 n GLN 672 Cb 0.40 -1.56 0.02 0.00 0.11 0.00 0.00 30.24 29.22 3i04 n GLN 672 CO 0.00 0.00 0.00 0.20 -1.44 0.00 0.00 177.06 175.82 3i04 s GLY 673 N -1.00 2.84 0.00 1.08 0.00 -1.26 -4.98 107.32 104.00 3i04 s GLY 673 Ca 0.45 1.17 0.22 0.00 0.00 0.00 0.00 44.72 46.57 3i04 s GLY 673 CO 0.30 1.66 1.70 -1.72 0.00 0.00 0.00 173.10 175.04