#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 3.35 0.41 -0.52 0.52 -1.26 -4.99 118.95 116.46 3i04 s ARG 3 Ca 0.00 -0.64 -0.10 0.00 -0.52 0.00 0.00 55.73 54.47 3i04 s ARG 3 Cb 0.00 -2.97 -0.06 0.00 0.52 0.00 0.00 34.95 32.44 3i04 s ARG 3 CO 0.00 -0.18 0.77 -0.06 0.02 0.00 0.00 175.30 175.84 3i04 s PHE 4 N 1.42 3.48 0.20 -0.53 0.40 -1.26 -5.01 117.98 116.67 3i04 s PHE 4 Ca 0.05 1.02 -0.12 0.00 -0.60 0.00 0.00 56.93 57.28 3i04 s PHE 4 Cb -0.14 -2.42 0.12 0.00 0.51 0.00 0.00 43.02 41.09 3i04 s PHE 4 CO -0.04 -0.11 1.86 -0.09 0.70 0.00 0.00 175.22 177.54 3i04 h ARG 5 N 1.19 0.89 -6.27 0.44 2.43 -1.94 -3.39 114.38 107.73 3i04 h ARG 5 Ca -0.47 -0.06 -0.54 0.00 -0.81 0.00 0.00 59.98 58.10 3i04 h ARG 5 Cb 1.19 -0.20 -0.04 0.00 -0.42 0.00 0.00 29.97 30.50 3i04 h ARG 5 CO 0.64 0.60 1.21 0.34 -1.51 0.00 0.00 179.97 181.24 3i04 s ASP 6 N -5.82 5.87 0.57 -3.80 -1.08 -1.26 -4.86 116.67 106.29 3i04 s ASP 6 Ca -0.13 0.62 0.37 0.00 -0.52 0.00 0.00 52.55 52.88 3i04 s ASP 6 Cb 0.14 -2.54 1.68 0.00 -1.46 0.00 0.00 42.92 40.75 3i04 s ASP 6 CO 0.77 -1.85 2.09 -0.07 0.52 0.00 0.00 175.17 176.62 3i04 h LEU 7 N 14.01 0.00 -0.02 -1.34 3.38 -2.02 -0.67 115.31 128.65 3i04 h LEU 7 Ca -0.28 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.69 3i04 h LEU 7 Cb 1.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.88 3i04 h LEU 7 CO 1.14 0.00 -0.20 -1.54 0.09 0.00 0.00 178.44 177.94 3i04 n SER 8 N -3.03 0.22 -4.50 -0.43 3.41 -1.26 -4.69 113.62 103.33 3i04 n SER 8 Ca -0.00 0.14 -0.43 0.00 -0.26 0.00 0.00 58.87 58.31 3i04 n SER 8 Cb 0.22 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 63.93 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 -2.96 2.94 0.26 7.33 5.65 -0.26 -5.03 115.29 123.22 3i04 s HIS 9 Ca 0.14 -0.13 0.01 0.00 0.25 0.00 0.00 55.06 55.33 3i04 s HIS 9 Cb 0.19 -3.75 -0.00 0.00 -1.18 0.00 0.00 32.58 27.84 3i04 s HIS 9 CO 0.59 -1.13 0.03 0.27 -0.65 0.00 0.00 174.74 173.85 3i04 n ASN 10 N 6.79 2.24 0.00 9.88 0.23 -1.26 -4.56 115.26 128.58 3i04 n ASN 10 Ca -0.01 -2.19 0.12 0.00 -0.53 0.00 0.00 54.58 51.97 3i04 n ASN 10 Cb 0.47 0.31 0.55 0.00 -2.08 0.00 0.00 39.78 39.03 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 -2.87 3.75 0.82 0.00 1.81 -1.26 -4.62 118.95 116.58 3i04 s ARG 12 Ca 0.15 0.16 -0.11 0.00 -1.72 0.00 0.00 55.73 54.21 3i04 s ARG 12 Cb 0.16 -2.75 0.09 0.00 -0.45 0.00 0.00 34.95 32.00 3i04 s ARG 12 CO 0.42 0.39 1.09 -1.25 -0.68 0.00 0.00 175.30 175.27 3i04 s PRO 13 N -2.66 1.86 1.26 3.54 0.04 -1.23 -4.97 135.00 132.84 3i04 s PRO 13 Ca 0.44 0.87 -0.20 0.00 0.04 0.00 0.00 61.00 62.15 3i04 s PRO 13 Cb -0.12 -1.87 0.31 0.00 0.04 0.00 0.00 34.50 32.86 3i04 s PRO 13 CO 0.22 -1.83 1.07 -1.54 0.04 0.00 0.00 177.00 174.96 3i04 s SER 14 N -3.57 0.41 0.00 6.66 1.04 -1.26 -4.95 113.70 112.03 3i04 s SER 14 Ca 0.62 0.65 0.14 0.00 0.48 0.00 0.00 55.95 57.84 3i04 s SER 14 Cb -0.16 -0.89 0.64 0.00 0.10 0.00 0.00 66.02 65.71 3i04 s SER 14 CO 0.56 -4.44 1.44 -0.62 0.98 0.00 0.00 173.24 171.17 3i04 n GLU 15 N -4.98 1.36 -1.48 4.02 -0.58 -1.26 -4.92 120.64 112.80 3i04 n GLU 15 Ca 0.14 -0.54 -0.40 0.00 -0.42 0.00 0.00 57.16 55.93 3i04 n GLU 15 Cb 0.60 -1.26 0.02 0.00 -0.57 0.00 0.00 31.44 30.23 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 -0.18 -1.11 -1.77 0.62 0.00 -1.26 -4.92 120.51 111.90 3i04 n ALA 16 Ca 0.11 0.09 -0.38 0.00 0.00 0.00 0.00 53.44 53.26 3i04 n ALA 16 Cb 0.17 -1.84 0.00 0.00 0.00 0.00 0.00 19.45 17.78 3i04 n ALA 16 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 3i04 s PRO 17 N -1.86 3.76 0.29 0.00 0.04 -1.26 -4.93 135.00 131.05 3i04 s PRO 17 Ca 0.66 2.03 0.13 0.00 0.04 0.00 0.00 61.00 63.86 3i04 s PRO 17 Cb -0.53 -2.55 0.41 0.00 0.04 0.00 0.00 34.50 31.87 3i04 s PRO 17 CO 0.56 -0.62 1.63 0.00 0.04 0.00 0.00 177.00 178.60 3i04 h ARG 18 N 2.26 0.00 -4.90 4.56 2.47 -1.94 -3.41 114.38 113.42 3i04 h ARG 18 Ca -0.50 0.00 -0.67 0.00 -1.26 0.00 0.00 59.98 57.55 3i04 h ARG 18 Cb 1.26 0.00 -0.34 0.00 -1.65 0.00 0.00 29.97 29.24 3i04 h ARG 18 CO 0.61 0.56 -0.77 0.08 0.56 0.00 0.00 179.97 181.01 3i04 s VAL 19 N -3.55 2.59 -0.03 2.04 1.01 -1.26 -4.52 120.40 116.68 3i04 s VAL 19 Ca -0.01 -1.22 -0.30 0.00 0.00 0.00 0.00 61.98 60.45 3i04 s VAL 19 Cb 0.12 -2.36 -0.05 0.00 0.00 0.00 0.00 36.38 34.08 3i04 s VAL 19 CO 0.74 0.15 1.50 -0.04 0.00 0.00 0.00 175.10 177.45 3i04 s MET 20 N 1.25 4.23 -0.93 2.72 -1.94 -0.58 -4.43 119.30 119.63 3i04 s MET 20 Ca -0.02 2.05 -0.09 0.00 -1.71 0.00 0.00 55.69 55.92 3i04 s MET 20 Cb -0.17 -3.73 0.00 0.00 2.01 0.00 0.00 34.83 32.94 3i04 s MET 20 CO -0.05 -0.70 0.68 0.39 -0.01 0.00 0.00 175.02 175.32 3i04 n GLU 21 N 6.10 -1.26 0.21 2.03 1.02 -1.26 -4.80 120.64 122.68 3i04 n GLU 21 Ca 0.15 0.76 0.14 0.00 -0.02 0.00 0.00 57.16 58.18 3i04 n GLU 21 Cb 0.43 -3.44 0.74 0.00 -0.02 0.00 0.00 31.44 29.15 3i04 n GLU 21 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 3i04 h PRO 22 N -0.79 0.00 -0.01 3.49 0.13 -1.97 -1.49 132.00 131.37 3i04 h PRO 22 Ca -0.52 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 3i04 h PRO 22 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 3i04 h PRO 22 CO 0.40 0.00 -0.37 1.63 -0.23 0.00 0.00 178.00 179.43 3i04 n LYS 23 N -2.46 0.93 -3.19 0.86 5.02 -1.26 -4.64 118.16 113.42 3i04 n LYS 23 Ca -0.02 -0.65 -0.42 0.00 -2.02 0.00 0.00 58.31 55.20 3i04 n LYS 23 Cb 0.06 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.51 3i04 n LYS 23 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 3i04 s ASN 24 N -2.52 6.35 0.47 4.39 3.84 -0.56 -4.95 114.94 121.96 3i04 s ASN 24 Ca 0.21 -0.03 0.27 0.00 0.21 0.00 0.00 52.86 53.53 3i04 s ASN 24 Cb 0.19 -2.29 0.75 0.00 -0.55 0.00 0.00 41.25 39.35 3i04 s ASN 24 CO 0.55 -0.55 1.76 0.08 -2.79 0.00 0.00 177.10 176.15 3i04 h ARG 25 N 8.52 0.00 -2.53 0.43 0.11 -1.88 -3.37 114.38 115.66 3i04 h ARG 25 Ca -0.27 0.00 -0.50 0.00 0.10 0.00 0.00 59.98 59.31 3i04 h ARG 25 Cb 1.12 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 32.16 3i04 h ARG 25 CO 0.81 0.00 1.96 -0.25 0.10 0.00 0.00 179.97 182.59 3i04 n ASP 26 N -3.04 7.30 -3.62 0.08 8.00 -1.26 -4.73 116.55 119.28 3i04 n ASP 26 Ca 0.03 -2.65 -0.41 0.00 0.71 0.00 0.00 54.79 52.46 3i04 n ASP 26 Cb 0.44 -1.46 0.01 0.00 -0.02 0.00 0.00 41.12 40.08 3i04 n ASP 26 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 3i04 n ARG 27 N 2.78 5.08 -3.65 -1.24 1.74 -1.26 -4.86 116.66 115.26 3i04 n ARG 27 Ca 0.62 -4.27 -0.15 0.00 -0.77 0.00 0.00 57.85 53.28 3i04 n ARG 27 Cb 0.50 -2.53 -0.07 0.00 -1.02 0.00 0.00 32.46 29.33 3i04 n ARG 27 CO 0.00 0.00 0.00 -0.08 -1.52 0.00 0.00 177.63 176.03 3i04 s THR 28 N -3.15 0.03 -1.66 0.55 -1.32 -1.26 -0.29 115.64 108.55 3i04 s THR 28 Ca 0.43 -0.23 0.15 0.00 -1.21 0.00 0.00 61.69 60.82 3i04 s THR 28 Cb 0.18 -0.79 0.22 0.00 -1.51 0.00 0.00 72.50 70.59 3i04 s THR 28 CO -0.10 -0.13 1.10 1.33 -2.21 0.00 0.00 174.62 174.61 3i04 n VAL 29 N 1.20 0.35 -2.41 5.08 0.24 -0.58 -4.82 118.33 117.39 3i04 n VAL 29 Ca -0.20 -0.67 -0.43 0.00 -2.04 0.00 0.00 64.34 61.00 3i04 n VAL 29 Cb 0.56 1.03 -0.02 0.00 -1.47 0.00 0.00 33.84 33.94 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 -1.16 6.52 0.47 -1.34 -1.08 -1.26 -4.92 116.67 113.90 3i04 s ASP 30 Ca 0.22 0.97 0.13 0.00 -0.52 0.00 0.00 52.55 53.35 3i04 s ASP 30 Cb 0.14 -2.54 1.08 0.00 -1.46 0.00 0.00 42.92 40.14 3i04 s ASP 30 CO 0.20 -1.25 2.08 1.55 0.52 0.00 0.00 175.17 178.27 3i04 h PRO 31 N 9.89 0.14 -0.31 4.34 0.13 -1.98 -1.62 132.00 142.59 3i04 h PRO 31 Ca -0.26 -0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.77 3i04 h PRO 31 Cb 1.10 -0.03 -0.02 0.00 0.13 0.00 0.00 31.00 32.18 3i04 h PRO 31 CO 1.07 0.15 -0.17 0.00 -0.23 0.00 0.00 178.00 178.82 3i04 h ALA 32 N 1.88 1.14 -0.18 -0.56 0.00 -1.95 -2.15 119.26 117.43 3i04 h ALA 32 Ca 0.04 -0.31 -0.15 0.00 0.00 0.00 0.00 54.91 54.49 3i04 h ALA 32 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i04 h ALA 32 CO -0.00 0.54 -0.47 0.28 0.00 0.00 0.00 179.25 179.60 3i04 h VAL 33 N 0.50 1.32 -0.96 0.00 2.07 -1.73 -1.14 116.25 116.31 3i04 h VAL 33 Ca 0.08 -1.71 0.12 0.00 0.82 0.00 0.00 66.70 66.01 3i04 h VAL 33 Cb 0.58 1.92 -0.08 0.00 -1.52 0.00 0.00 31.29 32.19 3i04 h VAL 33 CO 0.04 0.53 0.59 -0.07 0.02 0.00 0.00 177.57 178.68 3i04 h LEU 34 N 0.33 0.86 -0.30 2.57 3.38 -1.28 0.25 115.31 121.12 3i04 h LEU 34 Ca -0.01 0.05 -0.06 0.00 0.09 0.00 0.00 57.88 57.96 3i04 h LEU 34 Cb 1.09 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.71 3i04 h LEU 34 CO 0.10 0.46 -0.04 -0.33 0.09 0.00 0.00 178.44 178.72 3i04 h GLU 35 N 0.94 0.56 0.00 1.13 5.08 -1.23 -3.11 114.58 117.95 3i04 h GLU 35 Ca 0.48 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.54 3i04 h GLU 35 Cb 0.48 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 3i04 h GLU 35 CO -0.27 0.73 -0.48 0.52 -1.00 0.00 0.00 179.01 178.51 3i04 h MET 36 N 0.34 0.00 0.00 2.33 2.86 -0.51 -2.67 114.93 117.27 3i04 h MET 36 Ca 0.08 0.00 -0.02 0.00 -2.06 0.00 0.00 59.70 57.70 3i04 h MET 36 Cb 0.50 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.16 3i04 h MET 36 CO 0.02 0.48 -0.09 -0.07 1.06 0.00 0.00 176.91 178.32 3i04 h LEU 37 N 0.00 0.00 -0.29 1.22 3.38 -0.45 0.51 115.31 119.67 3i04 h LEU 37 Ca -0.00 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 3i04 h LEU 37 Cb 0.88 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.62 3i04 h LEU 37 CO 0.06 0.09 -0.05 0.58 0.09 0.00 0.00 178.44 179.21 3i04 h VAL 38 N 0.00 1.28 -0.19 1.22 2.07 -1.44 -2.74 116.25 116.44 3i04 h VAL 38 Ca -0.00 -1.06 -0.20 0.00 0.82 0.00 0.00 66.70 66.26 3i04 h VAL 38 Cb 0.28 1.37 0.00 0.00 -1.52 0.00 0.00 31.29 31.42 3i04 h VAL 38 CO 0.01 0.34 -0.68 0.50 0.02 0.00 0.00 177.57 177.76 3i04 h LYS 39 N 0.32 0.76 -0.56 1.57 3.64 -1.43 -2.05 116.57 118.83 3i04 h LYS 39 Ca 0.08 -0.56 -0.10 0.00 -1.27 0.00 0.00 60.65 58.79 3i04 h LYS 39 Cb 0.52 0.10 -0.02 0.00 -0.41 0.00 0.00 32.23 32.42 3i04 h LYS 39 CO 0.03 1.18 -0.05 0.66 -2.27 0.00 0.00 179.45 179.00 3i04 h SER 40 N 0.55 0.99 -0.11 4.20 4.64 -0.99 0.14 113.55 122.97 3i04 h SER 40 Ca -0.02 -0.30 0.04 0.00 -0.47 0.00 0.00 61.79 61.03 3i04 h SER 40 Cb 1.30 -0.27 -0.04 0.00 -0.31 0.00 0.00 62.40 63.08 3i04 h SER 40 CO 0.14 1.07 -0.12 0.50 -0.87 0.00 0.00 176.83 177.56 3i04 h LYS 41 N 0.91 -0.14 -0.79 4.77 3.64 -1.42 -0.27 116.57 123.27 3i04 h LYS 41 Ca 0.15 0.01 0.09 0.00 -1.27 0.00 0.00 60.65 59.63 3i04 h LYS 41 Cb 0.60 0.03 -0.07 0.00 -0.41 0.00 0.00 32.23 32.38 3i04 h LYS 41 CO 0.04 -0.09 0.45 -0.44 -2.27 0.00 0.00 179.45 177.13 3i04 h ASP 42 N -0.14 0.65 0.02 4.20 3.45 -1.14 -1.87 116.42 121.59 3i04 h ASP 42 Ca 0.08 0.04 0.00 0.00 0.43 0.00 0.00 57.03 57.59 3i04 h ASP 42 Cb 0.26 -0.08 0.00 0.00 -0.56 0.00 0.00 39.33 38.95 3i04 h ASP 42 CO -0.20 0.38 0.00 0.47 -1.57 0.00 0.00 179.24 178.32 3i04 n ASP 43 N -4.75 0.00 -2.62 6.45 8.00 0.47 -4.90 116.55 119.19 3i04 n ASP 43 Ca 0.12 -0.97 -0.21 0.00 0.71 0.00 0.00 54.79 54.44 3i04 n ASP 43 Cb 0.25 -0.01 0.01 0.00 -0.02 0.00 0.00 41.12 41.35 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 -1.01 -3.05 -3.24 -1.24 5.02 -0.64 -4.98 118.16 109.02 3i04 n LYS 44 Ca 0.24 0.96 -0.39 0.00 -2.02 0.00 0.00 58.31 57.10 3i04 n LYS 44 Cb 0.11 -5.69 -0.06 0.00 -0.02 0.00 0.00 35.03 29.38 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 -3.09 5.00 -0.15 -0.18 1.01 -0.20 -5.03 120.40 117.76 3i04 s VAL 45 Ca 0.13 1.16 -0.17 0.00 0.00 0.00 0.00 61.98 63.10 3i04 s VAL 45 Cb -0.06 -3.89 -0.04 0.00 0.00 0.00 0.00 36.38 32.39 3i04 s VAL 45 CO 0.16 0.39 0.41 -0.63 0.00 0.00 0.00 175.10 175.43 3i04 s ILE 46 N 0.05 5.22 0.45 2.22 1.01 -1.26 -4.53 121.20 124.37 3i04 s ILE 46 Ca 0.30 0.80 0.05 0.00 0.00 0.00 0.00 60.65 61.79 3i04 s ILE 46 Cb -0.17 -3.75 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 3i04 s ILE 46 CO 0.15 0.33 0.01 0.42 0.00 0.00 0.00 174.94 175.85 3i04 s THR 47 N 0.71 1.65 0.33 2.92 -4.23 -1.26 -4.92 115.64 110.85 3i04 s THR 47 Ca 0.22 -1.99 0.13 0.00 -1.18 0.00 0.00 61.69 58.87 3i04 s THR 47 Cb -0.14 -2.65 0.32 0.00 1.34 0.00 0.00 72.50 71.37 3i04 s THR 47 CO 0.08 0.00 1.67 0.00 -0.54 0.00 0.00 174.62 175.83 3i04 h ALA 48 N 1.59 1.89 -0.50 3.99 0.00 -1.98 -0.49 119.26 123.76 3i04 h ALA 48 Ca -0.44 0.18 0.04 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 48 Cb 1.27 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 19.16 3i04 h ALA 48 CO 0.78 -0.51 0.27 0.74 0.00 0.00 0.00 179.25 180.52 3i04 h PHE 49 N 0.36 0.49 -0.15 0.00 -1.00 -1.87 0.13 116.94 114.89 3i04 h PHE 49 Ca 0.71 0.02 -0.19 0.00 2.81 0.00 0.00 57.97 61.32 3i04 h PHE 49 Cb 1.56 -0.15 -0.00 0.00 3.61 0.00 0.00 35.95 40.98 3i04 h PHE 49 CO -0.02 0.25 -0.67 -0.44 -1.61 0.00 0.00 178.31 175.82 3i04 h ASP 50 N 0.52 0.72 -0.72 2.17 3.32 -1.64 -2.99 116.42 117.80 3i04 h ASP 50 Ca 0.21 -0.44 -0.03 0.00 0.02 0.00 0.00 57.03 56.80 3i04 h ASP 50 Cb 0.09 -0.21 -0.03 0.00 0.22 0.00 0.00 39.33 39.40 3i04 h ASP 50 CO -0.13 1.19 0.34 0.03 -1.72 0.00 0.00 179.24 178.95 3i04 h ARG 51 N 0.44 1.04 -0.21 3.56 3.08 -0.89 -1.47 114.38 119.94 3i04 h ARG 51 Ca -0.02 -0.16 0.04 0.00 0.07 0.00 0.00 59.98 59.91 3i04 h ARG 51 Cb 1.26 -0.18 -0.04 0.00 0.08 0.00 0.00 29.97 31.08 3i04 h ARG 51 CO 0.13 0.83 -0.07 0.35 -1.07 0.00 0.00 179.97 180.14 3i04 h PHE 52 N 1.01 -0.16 -0.68 3.04 3.57 -0.76 -1.37 116.94 121.59 3i04 h PHE 52 Ca 0.25 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.79 3i04 h PHE 52 Cb 0.13 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 38.94 3i04 h PHE 52 CO 0.01 -0.12 0.43 0.28 -2.23 0.00 0.00 178.31 176.69 3i04 h VAL 53 N -0.03 1.12 -0.02 1.41 2.07 -1.35 -2.50 116.25 116.94 3i04 h VAL 53 Ca 0.10 -0.30 -0.06 0.00 0.82 0.00 0.00 66.70 67.27 3i04 h VAL 53 Cb 0.19 0.18 -0.01 0.00 -1.52 0.00 0.00 31.29 30.13 3i04 h VAL 53 CO -0.23 0.16 -0.25 0.00 0.02 0.00 0.00 177.57 177.27 3i04 h ALA 54 N 1.28 1.55 0.00 1.67 0.00 -0.92 -2.54 119.26 120.31 3i04 h ALA 54 Ca 0.27 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 54 Cb -0.02 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 17.72 3i04 h ALA 54 CO -0.09 0.33 0.00 1.96 0.00 0.00 0.00 179.25 181.45 3i04 h GLN 55 N 0.03 0.00 -6.78 0.00 1.08 -0.79 -3.47 115.11 105.19 3i04 h GLN 55 Ca 0.00 0.00 -0.50 0.00 -1.45 0.00 0.00 58.65 56.71 3i04 h GLN 55 Cb 0.46 0.00 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 3i04 h GLN 55 CO 0.03 0.00 0.41 -0.65 -0.95 0.00 0.00 178.83 177.67 3i04 s GLN 56 N -3.80 4.75 0.27 1.46 -1.52 -0.96 -3.43 119.66 116.43 3i04 s GLN 56 Ca -0.01 1.62 -0.27 0.00 -1.95 0.00 0.00 55.36 54.75 3i04 s GLN 56 Cb 0.10 -3.22 -0.09 0.00 -0.22 0.00 0.00 33.01 29.58 3i04 s GLN 56 CO 0.44 0.37 0.91 -1.25 -0.25 0.00 0.00 175.29 175.51 3i04 s PRO 57 N -1.34 4.67 0.42 2.91 0.04 -1.26 -5.09 135.00 135.35 3i04 s PRO 57 Ca 0.43 1.35 -0.17 0.00 0.04 0.00 0.00 61.00 62.65 3i04 s PRO 57 Cb -0.28 -3.03 -0.09 0.00 0.04 0.00 0.00 34.50 31.13 3i04 s PRO 57 CO 0.36 0.41 0.88 -0.65 0.04 0.00 0.00 177.00 178.03 3i04 s GLN 58 N -1.63 4.05 -0.09 4.56 -0.21 -1.22 -4.97 119.66 120.16 3i04 s GLN 58 Ca 0.45 0.88 -0.34 0.00 0.02 0.00 0.00 55.36 56.37 3i04 s GLN 58 Cb -0.22 -2.26 -0.12 0.00 1.00 0.00 0.00 33.01 31.41 3i04 s GLN 58 CO 0.27 -0.04 1.87 0.00 -2.12 0.00 0.00 175.29 175.27 3i04 h LYS 60 N 9.03 0.45 0.20 0.00 3.64 -1.98 -1.40 116.57 126.50 3i04 h LYS 60 Ca -0.48 -0.23 -0.01 0.00 -1.27 0.00 0.00 60.65 58.66 3i04 h LYS 60 Cb 1.27 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 33.10 3i04 h LYS 60 CO 0.95 0.79 -0.10 0.82 -2.27 0.00 0.00 179.45 179.64 3i04 h ILE 61 N 0.37 0.82 -0.63 2.00 2.04 -1.98 -1.94 117.51 118.18 3i04 h ILE 61 Ca 0.03 -0.05 -0.07 0.00 1.00 0.00 0.00 64.86 65.76 3i04 h ILE 61 Cb 0.89 0.85 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 3i04 h ILE 61 CO 0.08 0.01 0.10 1.23 0.00 0.00 0.00 178.15 179.56 3i04 h GLY 62 N -0.29 1.10 0.89 5.37 0.00 -1.93 -2.82 103.07 105.40 3i04 h GLY 62 Ca -0.03 -0.72 0.10 0.00 0.00 0.00 0.00 47.33 46.68 3i04 h GLY 62 CO 0.04 0.67 0.48 -1.82 0.00 0.00 0.00 176.54 175.91 3i04 h TYR 63 N 0.96 0.64 -0.05 5.60 3.20 -1.08 -2.06 116.97 124.17 3i04 h TYR 63 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3i04 h TYR 63 Cb 0.42 -0.21 0.00 0.00 1.54 0.00 0.00 36.73 38.49 3i04 h TYR 63 CO 0.03 0.30 0.00 0.39 -1.64 0.00 0.00 178.16 177.24 3i04 n GLU 64 N -4.49 1.95 -0.99 1.82 1.02 -0.75 -4.03 120.64 115.18 3i04 n GLU 64 Ca 0.12 -1.39 0.00 0.00 -0.02 0.00 0.00 57.16 55.87 3i04 n GLU 64 Cb 0.36 -1.47 0.00 0.00 -0.02 0.00 0.00 31.44 30.31 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 1.25 0.45 1.29 0.62 0.00 -0.78 -1.05 105.19 106.98 3i04 n GLY 65 Ca 0.17 -0.49 0.10 0.00 0.00 0.00 0.00 46.02 45.80 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 -2.99 1.25 -3.69 -0.61 -5.35 -1.10 -2.98 119.36 103.88 3i04 n ILE 66 Ca 0.00 -1.08 -0.36 0.00 -0.27 0.00 0.00 62.75 61.04 3i04 n ILE 66 Cb 0.00 0.39 -0.10 0.00 -1.74 0.00 0.00 39.64 38.19 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 4.03 1.55 0.02 0.00 1.74 -1.26 -0.55 116.66 122.18 3i04 n ARG 69 Ca -0.18 -3.15 0.12 0.00 -0.77 0.00 0.00 57.85 53.87 3i04 n ARG 69 Cb 0.52 -1.33 0.50 0.00 -1.02 0.00 0.00 32.46 31.12 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 -0.61 0.14 -4.10 -1.55 3.01 -1.26 -4.87 117.46 108.22 3i04 n PHE 70 Ca 0.19 0.05 -0.15 0.00 1.01 0.00 0.00 57.45 58.55 3i04 n PHE 70 Cb 0.86 -0.57 -0.05 0.00 -0.01 0.00 0.00 39.48 39.71 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 -0.54 1.23 0.23 0.00 2.81 -1.26 -2.79 117.12 116.80 3i04 n MET 72 Ca 0.01 -0.34 0.12 0.00 -1.81 0.00 0.00 57.70 55.68 3i04 n MET 72 Cb 0.62 -1.41 0.32 0.00 -0.71 0.00 0.00 33.22 32.04 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 3.93 0.96 -3.00 3.04 0.00 -1.98 -3.47 119.26 118.74 3i04 h ALA 73 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 73 Cb 0.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.94 3i04 h ALA 73 CO 0.00 0.10 0.00 0.41 0.00 0.00 0.00 179.25 179.76 3i04 n GLY 74 N 0.74 0.54 3.75 0.00 0.00 -1.12 -4.85 105.19 104.26 3i04 n GLY 74 Ca 0.02 -1.78 -0.38 0.00 0.00 0.00 0.00 46.02 43.89 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 1.33 3.19 0.08 1.61 0.02 -1.26 -5.08 135.00 134.89 3i04 s PRO 75 Ca 0.00 2.13 0.08 0.00 0.02 0.00 0.00 61.00 63.23 3i04 s PRO 75 Cb 0.00 -2.24 -0.04 0.00 0.02 0.00 0.00 34.50 32.24 3i04 s PRO 75 CO 0.00 -1.12 -0.19 0.00 -0.33 0.00 0.00 177.00 175.37 3i04 s ARG 77 N -1.74 0.67 -0.28 0.00 1.70 -1.26 0.40 118.95 118.44 3i04 s ARG 77 Ca 0.16 -0.86 -0.26 0.00 -0.47 0.00 0.00 55.73 54.30 3i04 s ARG 77 Cb -0.10 -0.54 0.00 0.00 -0.57 0.00 0.00 34.95 33.74 3i04 s ARG 77 CO 0.07 0.11 0.91 0.42 -1.08 0.00 0.00 175.30 175.73 3i04 s ILE 78 N -1.38 4.72 -0.03 4.99 -1.09 -0.86 -4.81 121.20 122.74 3i04 s ILE 78 Ca -0.06 1.54 0.20 0.00 -2.23 0.00 0.00 60.65 60.10 3i04 s ILE 78 Cb -0.10 -4.23 -0.31 0.00 -1.58 0.00 0.00 42.46 36.25 3i04 s ILE 78 CO 0.01 -0.25 0.43 0.29 -1.23 0.00 0.00 174.94 174.19 3i04 n LYS 79 N 6.33 0.60 -3.66 2.79 5.02 0.22 -5.02 118.16 124.45 3i04 n LYS 79 Ca 0.07 -0.18 -0.10 0.00 -2.02 0.00 0.00 58.31 56.08 3i04 n LYS 79 Cb 0.47 -1.47 -0.04 0.00 -0.02 0.00 0.00 35.03 33.98 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 -3.36 -0.99 0.03 7.82 0.00 -1.20 -4.99 121.76 119.07 3i04 s ALA 80 Ca -0.07 -0.08 0.19 0.00 0.00 0.00 0.00 51.96 52.00 3i04 s ALA 80 Cb 0.13 0.79 0.55 0.00 0.00 0.00 0.00 23.12 24.58 3i04 s ALA 80 CO 0.82 -0.73 1.66 1.79 0.00 0.00 0.00 175.76 179.31 3i04 h THR 81 N 2.25 0.74 -3.34 0.00 1.35 -1.91 -3.34 112.91 108.66 3i04 h THR 81 Ca -0.32 -1.60 -0.40 0.00 -0.55 0.00 0.00 66.41 63.53 3i04 h THR 81 Cb 1.26 2.04 -0.14 0.00 -1.73 0.00 0.00 68.15 69.59 3i04 h THR 81 CO 0.42 0.35 -0.61 -1.81 -0.25 0.00 0.00 175.52 173.61 3i04 s ASP 82 N -6.35 1.74 0.00 5.36 1.01 -1.26 -4.88 116.67 112.29 3i04 s ASP 82 Ca 0.02 -1.37 0.00 0.00 0.71 0.00 0.00 52.55 51.91 3i04 s ASP 82 Cb 0.09 0.05 0.00 0.00 1.01 0.00 0.00 42.92 44.07 3i04 s ASP 82 CO 0.69 -0.66 0.00 0.61 0.21 0.00 0.00 175.17 176.01 3i04 n GLY 83 N -0.56 -2.63 0.09 0.21 0.00 -1.26 -4.16 105.19 96.88 3i04 n GLY 83 Ca -0.01 -1.72 0.09 0.00 0.00 0.00 0.00 46.02 44.38 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 -0.39 0.11 -0.16 1.61 -0.04 -1.26 -2.06 135.00 132.82 3i04 n PRO 84 Ca 0.00 0.42 0.10 0.00 -0.04 0.00 0.00 63.50 63.98 3i04 n PRO 84 Cb 0.00 -1.75 0.28 0.00 -0.04 0.00 0.00 33.50 31.99 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 -0.38 0.98 0.76 0.55 0.00 -1.26 -4.38 105.19 101.46 3i04 n GLY 85 Ca 0.02 -0.55 0.12 0.00 0.00 0.00 0.00 46.02 45.61 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 0.84 2.31 -4.12 1.61 3.41 -0.87 -0.61 113.62 116.19 3i04 n SER 86 Ca 0.17 -1.79 -0.09 0.00 -0.26 0.00 0.00 58.87 56.90 3i04 n SER 86 Cb 0.44 -0.11 -0.10 0.00 -0.26 0.00 0.00 64.21 64.18 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 -1.78 0.91 1.12 4.33 0.52 -1.26 -4.45 118.95 118.33 3i04 s ARG 87 Ca 0.34 -1.39 -0.15 0.00 -0.52 0.00 0.00 55.73 54.01 3i04 s ARG 87 Cb 0.20 0.25 0.25 0.00 0.52 0.00 0.00 34.95 36.17 3i04 s ARG 87 CO 0.30 -0.26 1.08 0.20 0.02 0.00 0.00 175.30 176.64 3i04 s GLY 88 N -3.03 1.56 0.23 -3.53 0.00 -0.07 -4.85 107.32 97.63 3i04 s GLY 88 Ca 0.22 -0.58 -0.07 0.00 0.00 0.00 0.00 44.72 44.29 3i04 s GLY 88 CO 0.00 0.17 1.86 -2.22 0.00 0.00 0.00 173.10 172.91 3i04 h ILE 89 N -2.33 1.26 0.00 0.90 2.04 -1.95 0.36 117.51 117.79 3i04 h ILE 89 Ca -0.52 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 64.72 3i04 h ILE 89 Cb 1.32 0.04 0.00 0.00 -0.74 0.00 0.00 36.82 37.44 3i04 h ILE 89 CO 0.48 0.29 0.00 0.00 0.00 0.00 0.00 178.15 178.91 3i04 n GLY 91 N -0.12 0.88 3.66 0.00 0.00 0.12 -4.90 105.19 104.83 3i04 n GLY 91 Ca 0.08 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.01 1.19 -1.09 4.61 0.00 -1.26 -4.58 120.51 118.37 3i04 n ALA 92 Ca 0.00 0.45 -0.30 0.00 0.00 0.00 0.00 53.44 53.59 3i04 n ALA 92 Cb 0.00 -2.33 0.14 0.00 0.00 0.00 0.00 19.45 17.26 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 0.82 3.52 0.37 0.00 0.01 -1.26 -0.89 113.70 116.27 3i04 s SER 93 Ca 0.78 1.71 0.08 0.00 1.31 0.00 0.00 55.95 59.83 3i04 s SER 93 Cb -0.69 -2.35 0.80 0.00 0.21 0.00 0.00 66.02 63.98 3i04 s SER 93 CO 0.40 -2.64 1.95 0.00 0.41 0.00 0.00 173.24 173.36 3i04 h ALA 94 N -1.55 1.77 -0.34 1.44 0.00 -1.94 -1.99 119.26 116.66 3i04 h ALA 94 Ca -0.47 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.33 3i04 h ALA 94 Cb 1.27 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.88 3i04 h ALA 94 CO 0.51 0.09 -0.17 0.11 0.00 0.00 0.00 179.25 179.79 3i04 h TRP 95 N 0.69 0.68 -0.20 0.00 0.09 -1.92 -1.61 115.95 113.67 3i04 h TRP 95 Ca 0.32 -0.13 -0.08 0.00 0.09 0.00 0.00 58.89 59.09 3i04 h TRP 95 Cb 0.37 -0.17 -0.00 0.00 0.08 0.00 0.00 29.16 29.43 3i04 h TRP 95 CO -0.00 0.75 -0.20 1.15 0.09 0.00 0.00 178.44 180.23 3i04 h THR 96 N 0.55 1.33 -0.39 0.12 2.02 -1.72 -0.49 112.91 114.33 3i04 h THR 96 Ca 0.09 -1.36 -0.00 0.00 0.77 0.00 0.00 66.41 65.91 3i04 h THR 96 Cb 0.61 1.77 -0.02 0.00 -1.74 0.00 0.00 68.15 68.77 3i04 h THR 96 CO 0.04 0.41 0.24 0.40 0.37 0.00 0.00 175.52 176.99 3i04 h ILE 97 N 0.15 1.12 -0.31 3.11 2.04 -1.32 0.91 117.51 123.22 3i04 h ILE 97 Ca 0.03 -0.25 0.02 0.00 1.00 0.00 0.00 64.86 65.66 3i04 h ILE 97 Cb 0.74 0.58 -0.03 0.00 -0.74 0.00 0.00 36.82 37.38 3i04 h ILE 97 CO 0.05 0.12 0.15 0.58 0.00 0.00 0.00 178.15 179.05 3i04 h VAL 98 N 0.52 0.99 -0.43 1.67 2.07 -1.19 -2.36 116.25 117.52 3i04 h VAL 98 Ca 0.14 -0.11 0.02 0.00 0.82 0.00 0.00 66.70 67.57 3i04 h VAL 98 Cb -0.02 0.64 -0.03 0.00 -1.52 0.00 0.00 31.29 30.37 3i04 h VAL 98 CO -0.03 0.06 0.26 0.00 0.02 0.00 0.00 177.57 177.88 3i04 h ALA 99 N 1.16 0.54 -0.41 1.67 0.00 -0.70 -1.23 119.26 120.29 3i04 h ALA 99 Ca 0.13 -0.01 0.08 0.00 0.00 0.00 0.00 54.91 55.11 3i04 h ALA 99 Cb 0.04 -0.13 -0.08 0.00 0.00 0.00 0.00 17.79 17.62 3i04 h ALA 99 CO -0.09 -0.06 -0.11 0.00 0.00 0.00 0.00 179.25 178.99 3i04 h ARG 100 N 0.52 -0.01 0.01 0.00 3.08 -0.65 0.52 114.38 117.85 3i04 h ARG 100 Ca 0.17 0.00 -0.00 0.00 0.07 0.00 0.00 59.98 60.22 3i04 h ARG 100 Cb -0.01 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.04 3i04 h ARG 100 CO -0.07 -0.01 -0.00 -0.91 -1.07 0.00 0.00 179.97 177.91 3i04 h ASN 101 N -0.01 -0.01 0.25 7.04 2.35 -0.85 0.23 115.58 124.58 3i04 h ASN 101 Ca 0.20 -0.33 -0.13 0.00 -0.55 0.00 0.00 56.30 55.49 3i04 h ASN 101 Cb 0.31 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.67 3i04 h ASN 101 CO -0.43 0.32 -0.50 1.62 -1.65 0.00 0.00 177.43 176.79 3i04 h VAL 102 N -0.34 1.34 -0.49 2.81 3.04 -1.30 -3.07 116.25 118.24 3i04 h VAL 102 Ca -0.00 -1.74 -0.04 0.00 -1.01 0.00 0.00 66.70 63.90 3i04 h VAL 102 Cb 0.34 1.82 -0.02 0.00 -2.01 0.00 0.00 31.29 31.41 3i04 h VAL 102 CO 0.00 0.52 0.12 1.23 -1.01 0.00 0.00 177.57 178.43 3i04 h GLY 103 N 1.31 0.79 0.95 3.17 0.00 0.19 -2.10 103.07 107.37 3i04 h GLY 103 Ca 0.01 -0.44 0.01 0.00 0.00 0.00 0.00 47.33 46.91 3i04 h GLY 103 CO 0.08 0.41 0.15 -2.00 0.00 0.00 0.00 176.54 175.19 3i04 h LEU 104 N 0.71 0.25 0.29 3.11 7.12 -0.45 0.88 115.31 127.21 3i04 h LEU 104 Ca 0.16 0.00 -0.01 0.00 0.13 0.00 0.00 57.88 58.16 3i04 h LEU 104 Cb 0.27 -0.05 -0.00 0.00 -0.53 0.00 0.00 40.66 40.34 3i04 h LEU 104 CO -0.00 0.18 -0.17 0.24 -0.13 0.00 0.00 178.44 178.56 3i04 h MET 105 N 0.31 -0.43 -0.62 1.25 2.86 -1.42 -2.07 114.93 114.81 3i04 h MET 105 Ca 0.10 0.03 0.13 0.00 -2.06 0.00 0.00 59.70 57.90 3i04 h MET 105 Cb -0.01 0.10 -0.11 0.00 0.06 0.00 0.00 31.60 31.64 3i04 h MET 105 CO -0.05 -0.28 -0.08 0.82 1.06 0.00 0.00 176.91 178.38 3i04 h ILE 106 N -0.44 0.43 -0.49 -1.22 2.04 -1.20 -2.33 117.51 114.29 3i04 h ILE 106 Ca -0.03 -0.02 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3i04 h ILE 106 Cb 0.36 0.37 -0.05 0.00 -0.74 0.00 0.00 36.82 36.77 3i04 h ILE 106 CO 0.04 0.01 0.23 -0.07 0.00 0.00 0.00 178.15 178.35 3i04 h LEU 107 N 0.05 0.30 -1.23 1.44 3.38 -0.69 0.05 115.31 118.61 3i04 h LEU 107 Ca 0.31 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.32 3i04 h LEU 107 Cb 0.50 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.20 3i04 h LEU 107 CO -0.59 0.21 0.46 0.71 0.09 0.00 0.00 178.44 179.32 3i04 h THR 108 N 0.44 1.20 -0.32 0.22 1.35 -0.93 0.93 112.91 115.81 3i04 h THR 108 Ca 0.22 -0.41 -0.06 0.00 -0.55 0.00 0.00 66.41 65.61 3i04 h THR 108 Cb 0.17 0.14 -0.01 0.00 -1.73 0.00 0.00 68.15 66.73 3i04 h THR 108 CO -0.18 0.20 -0.05 1.23 -0.25 0.00 0.00 175.52 176.47 3i04 h GLY 109 N 1.02 0.64 0.84 5.82 0.00 -0.84 -1.36 103.07 109.19 3i04 h GLY 109 Ca 0.27 -0.51 -0.05 0.00 0.00 0.00 0.00 47.33 47.05 3i04 h GLY 109 CO -0.05 0.46 -0.03 0.00 0.00 0.00 0.00 176.54 176.92 3i04 h ALA 110 N 0.81 0.33 -1.01 3.60 0.00 -0.76 0.48 119.26 122.71 3i04 h ALA 110 Ca 0.08 -0.24 0.07 0.00 0.00 0.00 0.00 54.91 54.82 3i04 h ALA 110 Cb 0.52 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 18.16 3i04 h ALA 110 CO 0.03 0.09 0.65 0.00 0.00 0.00 0.00 179.25 180.02 3i04 h ALA 111 N 0.78 1.40 0.05 0.00 0.00 -0.81 0.10 119.26 120.79 3i04 h ALA 111 Ca 0.06 -0.02 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 111 Cb 0.47 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 111 CO 0.02 0.45 -0.02 0.00 0.00 0.00 0.00 179.25 179.69 3i04 h ALA 112 N 1.46 -0.06 -0.57 0.00 0.00 -0.94 -1.38 119.26 117.77 3i04 h ALA 112 Ca 0.43 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 55.16 3i04 h ALA 112 Cb 0.17 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 112 CO -0.17 -0.34 0.38 0.45 0.00 0.00 0.00 179.25 179.57 3i04 h HIS 113 N -0.46 0.70 0.00 0.00 3.86 -0.79 -2.27 115.15 116.19 3i04 h HIS 113 Ca -0.01 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 59.22 3i04 h HIS 113 Cb 0.42 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3i04 h HIS 113 CO 0.06 0.43 -0.39 0.00 0.86 0.00 0.00 177.93 178.89 3i04 h GLU 115 N 0.00 0.72 0.36 0.00 4.22 -1.06 -2.25 114.58 116.57 3i04 h GLU 115 Ca 0.00 -0.56 -0.01 0.00 0.08 0.00 0.00 59.36 58.87 3i04 h GLU 115 Cb 0.69 0.11 -0.01 0.00 0.50 0.00 0.00 28.75 30.03 3i04 h GLU 115 CO 0.00 1.18 -0.26 1.25 -2.18 0.00 0.00 179.01 178.99 3i04 h HIS 116 N 0.42 -0.70 -0.41 0.92 2.76 -1.23 -0.01 115.15 116.91 3i04 h HIS 116 Ca -0.03 -0.00 -0.02 0.00 -2.20 0.00 0.00 60.37 58.12 3i04 h HIS 116 Cb 1.27 0.26 -0.02 0.00 1.55 0.00 0.00 27.41 30.47 3i04 h HIS 116 CO 0.09 -0.40 0.20 0.78 -1.30 0.00 0.00 177.93 177.30 3i04 h GLY 117 N -0.62 0.63 0.59 5.26 0.00 -1.42 -2.38 103.07 105.12 3i04 h GLY 117 Ca -0.03 -0.31 0.09 0.00 0.00 0.00 0.00 47.33 47.08 3i04 h GLY 117 CO 0.01 0.30 0.61 -0.57 0.00 0.00 0.00 176.54 176.88 3i04 h ASN 118 N 0.52 0.92 -0.22 0.19 -0.00 -1.28 -0.34 115.58 115.38 3i04 h ASN 118 Ca 0.14 0.03 -0.08 0.00 -0.00 0.00 0.00 56.30 56.39 3i04 h ASN 118 Cb 0.12 -0.16 -0.00 0.00 -0.00 0.00 0.00 38.32 38.28 3i04 h ASN 118 CO -0.02 0.54 -0.20 -0.74 -0.00 0.00 0.00 177.43 177.02 3i04 h HIS 119 N 1.03 0.61 -0.47 0.67 2.76 -0.88 -0.39 115.15 118.49 3i04 h HIS 119 Ca 0.45 -0.18 -0.06 0.00 -2.20 0.00 0.00 60.37 58.38 3i04 h HIS 119 Cb 0.34 -0.13 -0.02 0.00 1.55 0.00 0.00 27.41 29.15 3i04 h HIS 119 CO -0.01 0.85 0.05 0.82 -1.30 0.00 0.00 177.93 178.33 3i04 h ILE 120 N 0.20 1.25 -0.49 6.26 2.04 -1.17 -0.93 117.51 124.67 3i04 h ILE 120 Ca 0.04 -0.97 0.04 0.00 1.00 0.00 0.00 64.86 64.97 3i04 h ILE 120 Cb 0.74 0.97 -0.04 0.00 -0.74 0.00 0.00 36.82 37.75 3i04 h ILE 120 CO 0.05 0.34 0.24 0.00 0.00 0.00 0.00 178.15 178.78 3i04 h ALA 121 N 0.94 0.62 -0.39 1.87 0.00 -1.03 -0.35 119.26 120.91 3i04 h ALA 121 Ca 0.14 0.02 0.02 0.00 0.00 0.00 0.00 54.91 55.09 3i04 h ALA 121 Cb 0.43 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3i04 h ALA 121 CO 0.01 -0.10 0.21 1.25 0.00 0.00 0.00 179.25 180.62 3i04 h HIS 122 N 0.48 0.39 -0.37 0.00 -0.00 -0.95 -2.74 115.15 111.96 3i04 h HIS 122 Ca 0.21 0.02 -0.06 0.00 -0.00 0.00 0.00 60.37 60.54 3i04 h HIS 122 Cb 0.12 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.39 3i04 h HIS 122 CO -0.10 0.21 -0.01 0.00 -0.00 0.00 0.00 177.93 178.03 3i04 h ALA 123 N 1.19 1.31 -0.40 5.26 0.00 -0.82 -1.15 119.26 124.65 3i04 h ALA 123 Ca 0.16 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3i04 h ALA 123 Cb 0.05 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3i04 h ALA 123 CO -0.10 0.47 0.22 1.25 0.00 0.00 0.00 179.25 181.10 3i04 h LEU 124 N 0.55 0.50 -0.21 0.00 5.85 -0.91 0.14 115.31 121.23 3i04 h LEU 124 Ca 0.12 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.74 3i04 h LEU 124 Cb 0.36 -0.13 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3i04 h LEU 124 CO 0.01 0.44 0.10 0.58 -0.34 0.00 0.00 178.44 179.23 3i04 h VAL 125 N 0.52 1.14 -0.39 1.05 2.07 -1.36 -0.96 116.25 118.32 3i04 h VAL 125 Ca 0.14 -0.40 0.07 0.00 0.82 0.00 0.00 66.70 67.32 3i04 h VAL 125 Cb 0.05 1.03 -0.06 0.00 -1.52 0.00 0.00 31.29 30.79 3i04 h VAL 125 CO -0.02 0.14 0.04 -0.33 0.02 0.00 0.00 177.57 177.41 3i04 h GLU 126 N 0.20 0.15 -0.45 1.57 4.39 -1.01 -0.29 114.58 119.14 3i04 h GLU 126 Ca 0.07 -0.01 0.07 0.00 0.34 0.00 0.00 59.36 59.83 3i04 h GLU 126 Cb 0.13 -0.03 -0.06 0.00 -0.10 0.00 0.00 28.75 28.68 3i04 h GLU 126 CO -0.01 0.10 0.10 1.98 -1.16 0.00 0.00 179.01 180.02 3i04 h MET 127 N 0.15 0.23 0.00 2.33 4.05 -0.59 -1.53 114.93 119.57 3i04 h MET 127 Ca 0.19 -0.01 -0.06 0.00 -0.28 0.00 0.00 59.70 59.54 3i04 h MET 127 Cb 0.25 -0.05 -0.01 0.00 -0.80 0.00 0.00 31.60 30.99 3i04 h MET 127 CO -0.29 0.15 -0.27 0.00 0.23 0.00 0.00 176.91 176.74 3i04 h ALA 128 N 1.34 0.98 -0.36 0.39 0.00 -0.26 -1.92 119.26 119.43 3i04 h ALA 128 Ca 0.22 -0.24 0.00 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 128 Cb 0.27 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3i04 h ALA 128 CO -0.28 0.33 0.00 0.39 0.00 0.00 0.00 179.25 179.69 3i04 n GLU 129 N -3.38 1.98 -1.46 0.00 1.02 -0.21 -4.81 120.64 113.80 3i04 n GLU 129 Ca 0.00 -1.35 -0.07 0.00 -0.02 0.00 0.00 57.16 55.72 3i04 n GLU 129 Cb 0.48 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 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 0.99 0.71 0.53 0.62 0.00 -0.72 -4.95 105.19 102.37 3i04 n GLY 130 Ca 0.12 -0.69 0.05 0.00 0.00 0.00 0.00 46.02 45.51 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 -2.50 1.88 -3.09 1.61 5.02 -0.59 -4.72 118.16 115.77 3i04 n LYS 131 Ca -0.08 -1.66 -0.20 0.00 -2.02 0.00 0.00 58.31 54.36 3i04 n LYS 131 Cb 0.32 -1.23 -0.04 0.00 -0.02 0.00 0.00 35.03 34.06 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 0.52 1.45 0.30 7.82 0.00 -1.23 -4.12 120.51 125.25 3i04 n ALA 132 Ca 0.09 -2.84 0.20 0.00 0.00 0.00 0.00 53.44 50.88 3i04 n ALA 132 Cb 0.35 -0.95 1.01 0.00 0.00 0.00 0.00 19.45 19.86 3i04 n ALA 132 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3i04 h PRO 133 N 4.18 0.00 0.00 0.00 0.13 -1.84 -2.15 132.00 132.31 3i04 h PRO 133 Ca 0.04 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.17 3i04 h PRO 133 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 3i04 h PRO 133 CO 0.41 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.93 3i04 n ASP 134 N -2.92 0.00 -4.61 1.44 8.00 -1.26 -4.81 116.55 112.39 3i04 n ASP 134 Ca -0.02 -0.27 -0.24 0.00 0.71 0.00 0.00 54.79 54.97 3i04 n ASP 134 Cb 0.11 -0.22 -0.08 0.00 -0.02 0.00 0.00 41.12 40.91 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 -2.43 2.56 0.21 1.24 1.51 -0.81 -5.02 117.35 114.61 3i04 s TYR 135 Ca 0.29 -0.34 -0.22 0.00 -1.01 0.00 0.00 57.07 55.79 3i04 s TYR 135 Cb 0.18 -1.30 0.07 0.00 -0.11 0.00 0.00 41.96 40.80 3i04 s TYR 135 CO 0.38 0.57 0.96 -1.54 -1.11 0.00 0.00 175.55 174.80 3i04 s SER 136 N -3.67 -0.08 -0.66 2.29 1.04 -1.26 -4.98 113.70 106.37 3i04 s SER 136 Ca 0.33 -0.63 -0.26 0.00 0.48 0.00 0.00 55.95 55.87 3i04 s SER 136 Cb -0.03 0.56 0.04 0.00 0.10 0.00 0.00 66.02 66.68 3i04 s SER 136 CO 0.19 -1.07 1.13 -0.69 0.98 0.00 0.00 173.24 173.78 3i04 s VAL 137 N -2.74 4.03 -0.57 5.02 1.01 -1.26 -4.29 120.40 121.60 3i04 s VAL 137 Ca 0.16 0.29 0.24 0.00 0.00 0.00 0.00 61.98 62.67 3i04 s VAL 137 Cb -0.03 -4.76 0.07 0.00 0.00 0.00 0.00 36.38 31.66 3i04 s VAL 137 CO 0.05 -1.54 1.33 0.11 0.00 0.00 0.00 175.10 175.04 3i04 h LYS 138 N 9.71 0.00 -2.91 2.72 1.57 -1.05 -3.41 116.57 123.20 3i04 h LYS 138 Ca -0.27 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 57.90 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 1.21 0.00 -0.76 0.34 -0.57 0.00 0.00 179.45 179.67 3i04 s ASP 139 N -4.55 3.51 0.17 0.86 3.68 -0.92 -4.66 116.67 114.76 3i04 s ASP 139 Ca 0.05 -2.57 -0.03 0.00 2.13 0.00 0.00 52.55 52.14 3i04 s ASP 139 Cb 0.12 -0.92 0.06 0.00 -1.45 0.00 0.00 42.92 40.73 3i04 s ASP 139 CO 0.72 -0.27 1.44 -0.33 0.13 0.00 0.00 175.17 176.86 3i04 h GLU 140 N 6.75 0.48 -0.46 4.34 5.08 -1.86 -1.88 114.58 127.03 3i04 h GLU 140 Ca 0.01 -0.37 0.03 0.00 -1.00 0.00 0.00 59.36 58.03 3i04 h GLU 140 Cb 0.93 0.07 -0.03 0.00 0.50 0.00 0.00 28.75 30.22 3i04 h GLU 140 CO 0.45 0.99 0.26 0.00 -1.00 0.00 0.00 179.01 179.70 3i04 h ALA 141 N 0.91 0.58 -0.56 3.43 0.00 -1.99 -0.40 119.26 121.24 3i04 h ALA 141 Ca -0.02 0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 3i04 h ALA 141 Cb 1.25 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.91 3i04 h ALA 141 CO 0.12 -0.07 0.12 -0.22 0.00 0.00 0.00 179.25 179.20 3i04 h LYS 142 N 0.51 0.91 -0.05 0.00 1.63 -1.93 -2.06 116.57 115.59 3i04 h LYS 142 Ca 0.19 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.80 3i04 h LYS 142 Cb 0.05 -0.12 -0.05 0.00 -0.60 0.00 0.00 32.23 31.52 3i04 h LYS 142 CO -0.11 0.86 -0.23 1.25 -3.45 0.00 0.00 179.45 177.77 3i04 h LEU 143 N 0.81 -0.71 -1.17 5.20 5.85 -0.98 0.37 115.31 124.69 3i04 h LEU 143 Ca 0.18 0.10 -0.04 0.00 0.84 0.00 0.00 57.88 58.96 3i04 h LEU 143 Cb 0.37 0.30 -0.02 0.00 0.37 0.00 0.00 40.66 41.67 3i04 h LEU 143 CO 0.00 -0.30 0.11 0.11 -0.34 0.00 0.00 178.44 178.03 3i04 h LYS 144 N -0.34 0.69 0.01 1.25 1.57 -0.95 -0.84 116.57 117.97 3i04 h LYS 144 Ca 0.08 -0.13 -0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i04 h LYS 144 Cb 0.45 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.65 3i04 h LYS 144 CO -0.25 0.63 -0.01 1.49 -0.57 0.00 0.00 179.45 180.75 3i04 h GLU 145 N 0.67 -0.02 -0.61 3.15 4.57 -1.06 -0.64 114.58 120.64 3i04 h GLU 145 Ca 0.15 0.00 0.09 0.00 -1.18 0.00 0.00 59.36 58.42 3i04 h GLU 145 Cb 0.26 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 28.78 3i04 h GLU 145 CO -0.00 0.33 0.25 0.28 -1.18 0.00 0.00 179.01 178.69 3i04 h VAL 146 N -0.37 0.81 -0.01 0.32 2.07 -0.84 -0.91 116.25 117.32 3i04 h VAL 146 Ca -0.00 -0.16 0.02 0.00 0.82 0.00 0.00 66.70 67.38 3i04 h VAL 146 Cb 0.36 0.31 -0.02 0.00 -1.52 0.00 0.00 31.29 30.42 3i04 h VAL 146 CO 0.00 0.08 -0.10 0.00 0.02 0.00 0.00 177.57 177.57 3i04 h ARG 148 N -0.17 0.51 -0.97 0.00 3.08 -0.93 0.16 114.38 116.07 3i04 h ARG 148 Ca 0.04 -0.03 0.10 0.00 0.07 0.00 0.00 59.98 60.16 3i04 h ARG 148 Cb 0.22 -0.11 -0.07 0.00 0.08 0.00 0.00 29.97 30.09 3i04 h ARG 148 CO -0.11 0.33 0.62 -0.09 -1.07 0.00 0.00 179.97 179.65 3i04 h ARG 149 N 0.52 0.96 -0.55 0.04 2.43 -0.73 -0.89 114.38 116.16 3i04 h ARG 149 Ca 0.26 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.37 3i04 h ARG 149 Cb 0.20 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 29.53 3i04 h ARG 149 CO -0.20 0.64 0.00 1.33 -1.51 0.00 0.00 179.97 180.23 3i04 n VAL 150 N -4.56 0.92 -0.72 0.20 0.24 -0.49 -4.91 118.33 109.02 3i04 n VAL 150 Ca 0.17 -0.73 0.00 0.00 -2.04 0.00 0.00 64.34 61.74 3i04 n VAL 150 Cb 0.31 0.20 0.00 0.00 -1.47 0.00 0.00 33.84 32.88 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 1.13 0.61 3.73 7.63 0.00 -0.34 -5.03 105.19 112.92 3i04 n GLY 151 Ca 0.17 -0.26 -0.41 0.00 0.00 0.00 0.00 46.02 45.53 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 4.68 -0.28 -0.61 1.01 0.50 -4.99 121.20 119.52 3i04 s ILE 152 Ca 0.00 1.93 -0.27 0.00 0.00 0.00 0.00 60.65 62.31 3i04 s ILE 152 Cb 0.00 -4.26 0.01 0.00 0.01 0.00 0.00 42.46 38.22 3i04 s ILE 152 CO 0.00 0.28 0.98 -0.70 0.00 0.00 0.00 174.94 175.50 3i04 s GLU 153 N 0.31 4.13 0.06 2.79 -6.30 -1.26 -3.95 118.70 114.48 3i04 s GLU 153 Ca 0.46 1.07 0.10 0.00 -2.50 0.00 0.00 54.97 54.10 3i04 s GLU 153 Cb -0.22 -3.69 -0.20 0.00 0.00 0.00 0.00 34.13 30.02 3i04 s GLU 153 CO 0.27 -0.72 1.03 0.28 0.02 0.00 0.00 175.26 176.14 3i04 h VAL 154 N 5.58 1.29 -3.37 3.70 2.07 -1.94 -3.47 116.25 120.11 3i04 h VAL 154 Ca -0.21 -3.03 -0.53 0.00 0.82 0.00 0.00 66.70 63.75 3i04 h VAL 154 Cb 1.07 2.63 0.08 0.00 -1.52 0.00 0.00 31.29 33.55 3i04 h VAL 154 CO 0.97 0.74 0.88 -1.61 0.02 0.00 0.00 177.57 178.57 3i04 s GLU 155 N -2.69 4.12 -0.50 1.57 2.02 -1.26 -2.88 118.70 119.08 3i04 s GLU 155 Ca -0.01 2.58 0.00 0.00 0.02 0.00 0.00 54.97 57.56 3i04 s GLU 155 Cb 0.09 -3.02 0.00 0.00 0.10 0.00 0.00 34.13 31.30 3i04 s GLU 155 CO 0.82 -0.63 0.00 0.41 0.02 0.00 0.00 175.26 175.88 3i04 n GLY 156 N 2.06 0.73 3.34 -1.39 0.00 -1.26 -5.02 105.19 103.64 3i04 n GLY 156 Ca 0.08 -0.54 -0.32 0.00 0.00 0.00 0.00 46.02 45.24 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 -2.00 2.75 0.85 1.61 1.02 -1.14 -5.13 119.74 117.70 3i04 s LYS 157 Ca 0.00 -0.81 -0.10 0.00 0.02 0.00 0.00 55.97 55.08 3i04 s LYS 157 Cb 0.00 -2.32 0.10 0.00 -0.52 0.00 0.00 37.83 35.09 3i04 s LYS 157 CO 0.00 0.39 1.12 -1.54 -0.92 0.00 0.00 175.35 174.40 3i04 s SER 158 N -0.15 3.66 0.27 2.83 1.04 -1.26 -4.83 113.70 115.25 3i04 s SER 158 Ca -0.03 2.03 0.00 0.00 0.48 0.00 0.00 55.95 58.44 3i04 s SER 158 Cb -0.14 -2.55 0.59 0.00 0.10 0.00 0.00 66.02 64.02 3i04 s SER 158 CO 0.04 -2.61 1.75 0.58 0.98 0.00 0.00 173.24 173.97 3i04 h VAL 159 N -1.50 0.66 -0.22 5.02 2.07 -1.99 -1.59 116.25 118.69 3i04 h VAL 159 Ca -0.43 -0.19 -0.12 0.00 0.82 0.00 0.00 66.70 66.77 3i04 h VAL 159 Cb 1.25 0.04 -0.00 0.00 -1.52 0.00 0.00 31.29 31.06 3i04 h VAL 159 CO 0.46 0.10 -0.34 -0.07 0.02 0.00 0.00 177.57 177.74 3i04 h LEU 160 N 0.57 0.69 -0.73 2.57 3.38 -1.91 -1.14 115.31 118.74 3i04 h LEU 160 Ca 0.49 -0.52 0.08 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 160 Cb 0.77 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3i04 h LEU 160 CO -0.41 1.07 0.40 -0.08 0.09 0.00 0.00 178.44 179.51 3i04 h GLU 161 N 0.32 0.68 -0.56 1.13 4.81 -1.80 -1.10 114.58 118.06 3i04 h GLU 161 Ca 0.02 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.20 3i04 h GLU 161 Cb 0.93 -0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.13 3i04 h GLU 161 CO 0.08 0.45 0.31 -0.07 -0.73 0.00 0.00 179.01 179.05 3i04 h LEU 162 N 0.70 0.70 -0.49 1.64 3.38 -1.03 -1.42 115.31 118.79 3i04 h LEU 162 Ca 0.34 -0.09 0.04 0.00 0.09 0.00 0.00 57.88 58.26 3i04 h LEU 162 Cb 0.28 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3i04 h LEU 162 CO -0.22 0.59 0.25 0.00 0.09 0.00 0.00 178.44 179.14 3i04 h ALA 163 N 1.14 0.63 -0.32 1.53 0.00 -0.91 0.75 119.26 122.08 3i04 h ALA 163 Ca 0.20 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 3i04 h ALA 163 Cb 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 3i04 h ALA 163 CO -0.03 -0.11 0.17 0.37 0.00 0.00 0.00 179.25 179.65 3i04 h GLN 164 N 0.48 0.44 -0.35 0.00 4.15 -1.01 -1.84 115.11 116.98 3i04 h GLN 164 Ca 0.22 -0.05 -0.10 0.00 0.77 0.00 0.00 58.65 59.49 3i04 h GLN 164 Cb 0.13 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.73 3i04 h GLN 164 CO -0.16 0.38 -0.15 1.49 -1.93 0.00 0.00 178.83 178.46 3i04 h GLU 165 N 0.39 0.73 -0.34 1.69 4.81 -0.93 -0.96 114.58 119.96 3i04 h GLU 165 Ca 0.11 -0.31 -0.12 0.00 -0.13 0.00 0.00 59.36 58.91 3i04 h GLU 165 Cb 0.07 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.42 3i04 h GLU 165 CO -0.02 0.92 -0.27 -0.24 -0.73 0.00 0.00 179.01 178.67 3i04 h VAL 166 N 0.51 1.28 -0.08 0.32 3.04 -0.87 -1.50 116.25 118.95 3i04 h VAL 166 Ca 0.08 -1.39 -0.00 0.00 -1.01 0.00 0.00 66.70 64.38 3i04 h VAL 166 Cb 0.69 1.30 -0.00 0.00 -2.01 0.00 0.00 31.29 31.27 3i04 h VAL 166 CO 0.05 0.46 0.03 1.23 -1.01 0.00 0.00 177.57 178.33 3i04 h GLY 167 N 0.98 0.13 0.64 3.17 0.00 -1.18 -1.86 103.07 104.95 3i04 h GLY 167 Ca 0.08 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.41 3i04 h GLY 167 CO 0.06 0.06 0.41 0.83 0.00 0.00 0.00 176.54 177.90 3i04 h GLU 168 N -0.02 0.71 -0.86 4.80 5.08 -1.16 -0.58 114.58 122.55 3i04 h GLU 168 Ca 0.03 -0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.40 3i04 h GLU 168 Cb 0.16 -0.16 -0.06 0.00 0.50 0.00 0.00 28.75 29.19 3i04 h GLU 168 CO -0.00 0.47 0.54 -0.22 -1.00 0.00 0.00 179.01 178.80 3i04 h LYS 169 N 0.73 0.98 -0.43 2.33 1.63 -0.90 -1.93 116.57 118.99 3i04 h LYS 169 Ca 0.33 -0.06 -0.14 0.00 -0.85 0.00 0.00 60.65 59.94 3i04 h LYS 169 Cb 0.23 -0.22 -0.01 0.00 -0.60 0.00 0.00 32.23 31.63 3i04 h LYS 169 CO -0.20 0.65 -0.26 0.00 -3.45 0.00 0.00 179.45 176.18 3i04 h ALA 170 N 1.39 0.71 -0.56 5.00 0.00 -0.93 -2.85 119.26 122.02 3i04 h ALA 170 Ca 0.37 -0.40 0.01 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 170 Cb 0.12 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.73 3i04 h ALA 170 CO -0.16 0.67 0.37 -0.07 0.00 0.00 0.00 179.25 180.06 3i04 h LEU 171 N 0.78 0.62 -1.63 0.00 3.38 -0.68 -0.55 115.31 117.23 3i04 h LEU 171 Ca 0.09 -0.01 0.02 0.00 0.09 0.00 0.00 57.88 58.07 3i04 h LEU 171 Cb 0.83 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 41.41 3i04 h LEU 171 CO 0.07 0.44 0.28 -0.33 0.09 0.00 0.00 178.44 179.00 3i04 h GLU 172 N 0.73 0.47 -0.03 1.13 5.08 -1.12 -1.33 114.58 119.51 3i04 h GLU 172 Ca 0.21 -0.03 -0.08 0.00 -1.00 0.00 0.00 59.36 58.46 3i04 h GLU 172 Cb -0.04 -0.11 -0.01 0.00 0.50 0.00 0.00 28.75 29.10 3i04 h GLU 172 CO -0.05 0.31 -0.35 -0.44 -1.00 0.00 0.00 179.01 177.49 3i04 h ASP 173 N 0.49 0.06 0.11 1.42 5.19 -1.08 -2.00 116.42 120.61 3i04 h ASP 173 Ca 0.17 -0.02 -0.14 0.00 -0.62 0.00 0.00 57.03 56.42 3i04 h ASP 173 Cb 0.08 -0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.56 3i04 h ASP 173 CO -0.04 0.41 -0.50 -0.26 -3.12 0.00 0.00 179.24 175.73 3i04 h PHE 174 N 0.05 0.54 0.00 4.55 -1.00 -1.04 -0.55 116.94 119.50 3i04 h PHE 174 Ca 0.00 -0.18 -0.07 0.00 2.81 0.00 0.00 57.97 60.54 3i04 h PHE 174 Cb 0.64 -0.11 -0.01 0.00 3.61 0.00 0.00 35.95 40.08 3i04 h PHE 174 CO 0.00 0.85 -1.23 0.54 -1.61 0.00 0.00 178.31 176.86 3i04 n ARG 175 N -3.97 0.61 -1.93 1.51 1.74 -0.96 -3.48 116.66 110.19 3i04 n ARG 175 Ca -0.02 0.15 -0.40 0.00 -0.77 0.00 0.00 57.85 56.81 3i04 n ARG 175 Cb 0.56 -1.80 0.00 0.00 -1.02 0.00 0.00 32.46 30.21 3i04 n ARG 175 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 3i04 s ARG 176 N -3.18 3.90 0.37 5.56 3.52 -0.79 -4.92 118.95 123.40 3i04 s ARG 176 Ca -0.02 2.31 0.07 0.00 -0.13 0.00 0.00 55.73 57.96 3i04 s ARG 176 Cb 0.09 -2.76 -0.00 0.00 -1.56 0.00 0.00 34.95 30.72 3i04 s ARG 176 CO 0.80 -0.61 0.49 -0.51 -0.81 0.00 0.00 175.30 174.67 3i04 s LEU 177 N -2.47 3.78 0.15 -0.88 1.43 -1.26 -2.52 118.68 116.91 3i04 s LEU 177 Ca 0.58 -0.34 -0.34 0.00 -1.03 0.00 0.00 54.13 52.99 3i04 s LEU 177 Cb -0.41 -2.63 -0.16 0.00 0.03 0.00 0.00 46.19 43.02 3i04 s LEU 177 CO 0.54 -0.57 1.27 1.17 0.23 0.00 0.00 176.35 178.98 3i04 n LYS 178 N -1.70 1.31 -0.87 1.70 4.81 -1.26 -1.28 118.16 120.88 3i04 n LYS 178 Ca 0.03 0.47 0.00 0.00 -0.87 0.00 0.00 58.31 57.94 3i04 n LYS 178 Cb 0.59 -2.04 0.00 0.00 0.02 0.00 0.00 35.03 33.59 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 2.27 0.58 0.63 3.14 0.00 -1.26 -4.91 105.19 105.65 3i04 n GLY 179 Ca 0.16 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.91 1.86 0.00 1.61 1.02 -0.40 -5.06 120.64 117.75 3i04 n GLU 180 Ca 0.00 -1.26 0.00 0.00 -0.02 0.00 0.00 57.16 55.88 3i04 n GLU 180 Cb 0.04 -1.45 0.00 0.00 -0.02 0.00 0.00 31.44 30.01 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 1.22 0.75 3.13 0.62 0.00 -1.26 -4.93 105.19 104.71 3i04 n GLY 181 Ca 0.17 -1.85 -0.21 0.00 0.00 0.00 0.00 46.02 44.13 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 -1.50 1.04 0.03 1.61 2.02 -1.26 -4.25 118.70 116.39 3i04 s GLU 182 Ca 0.00 -0.63 -0.30 0.00 0.02 0.00 0.00 54.97 54.05 3i04 s GLU 182 Cb 0.00 -1.04 -0.08 0.00 0.10 0.00 0.00 34.13 33.11 3i04 s GLU 182 CO 0.00 0.27 1.84 0.00 0.02 0.00 0.00 175.26 177.39 3i04 s ALA 183 N -0.59 3.63 0.14 5.21 0.00 -0.13 -4.91 121.76 125.12 3i04 s ALA 183 Ca 0.04 1.24 -0.18 0.00 0.00 0.00 0.00 51.96 53.07 3i04 s ALA 183 Cb -0.07 -3.79 0.02 0.00 0.00 0.00 0.00 23.12 19.28 3i04 s ALA 183 CO 0.00 -1.42 1.75 1.15 0.00 0.00 0.00 175.76 177.24 3i04 h THR 184 N 5.38 0.92 0.00 0.00 2.02 -1.91 -2.20 112.91 117.12 3i04 h THR 184 Ca -0.46 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 66.64 3i04 h THR 184 Cb 1.22 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.29 3i04 h THR 184 CO 0.94 0.04 0.00 0.79 0.37 0.00 0.00 175.52 177.67 3i04 n TRP 185 N -5.03 0.61 -0.06 3.16 8.01 -1.26 -1.82 117.44 121.05 3i04 n TRP 185 Ca -0.00 0.22 -0.03 0.00 -1.31 0.00 0.00 57.50 56.38 3i04 n TRP 185 Cb 0.10 -0.85 -0.02 0.00 -2.01 0.00 0.00 31.31 28.53 3i04 n TRP 185 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.69 177.93 3i04 h LEU 186 N 0.00 0.00 -1.48 -0.99 5.85 -1.84 -3.35 115.31 113.50 3i04 h LEU 186 Ca 0.00 -0.14 -0.03 0.00 0.84 0.00 0.00 57.88 58.55 3i04 h LEU 186 Cb 0.43 0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.45 3i04 h LEU 186 CO 0.00 0.61 -0.15 0.24 -0.34 0.00 0.00 178.44 178.80 3i04 h MET 187 N -1.00 0.00 -0.01 1.25 2.86 -1.17 -1.95 114.93 114.91 3i04 h MET 187 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3i04 h MET 187 Cb 0.20 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.86 3i04 h MET 187 CO -0.00 0.15 -0.17 0.25 1.06 0.00 0.00 176.91 178.20 3i04 n THR 188 N -3.40 0.00 0.03 2.22 -2.24 -0.75 -4.06 114.28 106.07 3i04 n THR 188 Ca -0.01 -0.22 0.01 0.00 -2.27 0.00 0.00 64.05 61.56 3i04 n THR 188 Cb 0.34 0.65 0.02 0.00 -2.10 0.00 0.00 70.33 69.23 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 -0.09 0.47 -4.44 4.28 -2.24 -0.74 -4.98 114.28 106.54 3i04 n THR 189 Ca 0.14 -0.73 -0.24 0.00 -2.27 0.00 0.00 64.05 60.95 3i04 n THR 189 Cb 0.39 0.79 -0.09 0.00 -2.10 0.00 0.00 70.33 69.32 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 -0.56 2.63 0.91 2.28 -4.36 -1.17 -4.83 121.20 116.10 3i04 s ILE 190 Ca 0.03 -2.26 -0.15 0.00 -0.26 0.00 0.00 60.65 58.02 3i04 s ILE 190 Cb 0.02 -2.48 0.16 0.00 1.25 0.00 0.00 42.46 41.40 3i04 s ILE 190 CO 0.03 -0.35 1.27 0.54 0.24 0.00 0.00 174.94 176.66 3i04 s ASN 191 N -3.57 3.61 0.17 4.36 4.22 -1.26 -4.87 114.94 117.59 3i04 s ASN 191 Ca 0.31 0.46 -0.10 0.00 -2.14 0.00 0.00 52.86 51.39 3i04 s ASN 191 Cb -0.04 -0.67 0.03 0.00 1.28 0.00 0.00 41.25 41.85 3i04 s ASN 191 CO 0.16 -2.44 1.58 -0.33 -2.04 0.00 0.00 177.10 174.03 3i04 h GLU 192 N -1.44 1.02 -0.70 3.55 4.39 -1.97 -2.49 114.58 116.94 3i04 h GLU 192 Ca -0.45 -0.39 0.11 0.00 0.34 0.00 0.00 59.36 58.97 3i04 h GLU 192 Cb 1.27 -0.06 -0.12 0.00 -0.10 0.00 0.00 28.75 29.74 3i04 h GLU 192 CO 0.48 1.08 -0.41 0.78 -1.16 0.00 0.00 179.01 179.78 3i04 h GLY 193 N 0.89 -0.26 1.01 -3.84 0.00 -1.94 -0.84 103.07 98.09 3i04 h GLY 193 Ca 0.13 0.53 -0.05 0.00 0.00 0.00 0.00 47.33 47.95 3i04 h GLY 193 CO 0.05 -0.17 0.19 3.21 0.00 0.00 0.00 176.54 179.82 3i04 h ARG 194 N -0.14 0.94 -0.28 4.80 2.47 -1.88 -1.51 114.38 118.77 3i04 h ARG 194 Ca 0.23 -0.20 -0.00 0.00 -1.26 0.00 0.00 59.98 58.74 3i04 h ARG 194 Cb 0.56 -0.13 -0.01 0.00 -1.65 0.00 0.00 29.97 28.73 3i04 h ARG 194 CO -0.77 0.84 0.16 0.87 0.56 0.00 0.00 179.97 181.63 3i04 h LYS 195 N 0.86 0.38 -0.40 0.04 1.57 -1.12 0.70 116.57 118.60 3i04 h LYS 195 Ca 0.19 -0.04 -0.11 0.00 -1.87 0.00 0.00 60.65 58.83 3i04 h LYS 195 Cb 0.29 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 3i04 h LYS 195 CO -0.01 0.32 -0.18 1.49 -0.57 0.00 0.00 179.45 180.50 3i04 h GLU 196 N 0.34 0.75 -0.41 3.15 4.57 -1.10 -1.51 114.58 120.38 3i04 h GLU 196 Ca 0.10 -0.28 -0.02 0.00 -1.18 0.00 0.00 59.36 57.98 3i04 h GLU 196 Cb 0.04 -0.05 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3i04 h GLU 196 CO -0.02 0.88 0.19 -0.22 -1.18 0.00 0.00 179.01 178.67 3i04 h LYS 197 N 0.67 0.59 0.00 1.92 1.63 -0.89 -1.71 116.57 118.78 3i04 h LYS 197 Ca 0.10 -0.09 -0.12 0.00 -0.85 0.00 0.00 60.65 59.69 3i04 h LYS 197 Cb 0.68 -0.11 -0.02 0.00 -0.60 0.00 0.00 32.23 32.18 3i04 h LYS 197 CO 0.05 0.52 -0.56 0.74 -3.45 0.00 0.00 179.45 176.75 3i04 h PHE 198 N 0.52 0.00 0.12 1.91 0.05 -0.64 -2.35 116.94 116.55 3i04 h PHE 198 Ca 0.14 0.00 -0.01 0.00 3.82 0.00 0.00 57.97 61.92 3i04 h PHE 198 Cb 0.12 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.08 3i04 h PHE 198 CO -0.01 0.56 -0.06 0.00 -0.18 0.00 0.00 178.31 178.62 3i04 h ARG 199 N 0.00 -0.16 0.00 1.51 3.08 -1.08 -0.05 114.38 117.68 3i04 h ARG 199 Ca -0.01 0.01 -0.05 0.00 0.07 0.00 0.00 59.98 60.00 3i04 h ARG 199 Cb 1.01 0.04 -0.01 0.00 0.08 0.00 0.00 29.97 31.09 3i04 h ARG 199 CO 0.07 0.27 -0.25 1.79 -1.07 0.00 0.00 179.97 180.79 3i04 h THR 200 N -0.65 1.02 -0.02 2.04 1.35 -1.31 -2.44 112.91 112.90 3i04 h THR 200 Ca -0.02 -0.89 0.00 0.00 -0.55 0.00 0.00 66.41 64.95 3i04 h THR 200 Cb 0.50 1.50 0.00 0.00 -1.73 0.00 0.00 68.15 68.42 3i04 h THR 200 CO 0.03 0.24 -0.01 1.41 -0.25 0.00 0.00 175.52 176.93 3i04 n HIS 201 N -4.02 0.00 -3.75 4.73 8.25 -0.89 -4.99 115.22 114.56 3i04 n HIS 201 Ca -0.02 0.00 -0.22 0.00 -0.26 0.00 0.00 57.72 57.22 3i04 n HIS 201 Cb 0.32 -0.00 0.02 0.00 1.12 0.00 0.00 29.99 31.45 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 0.35 -1.22 -0.11 0.41 5.15 -0.75 -4.92 115.26 114.17 3i04 n ASN 202 Ca 0.18 -0.85 0.06 0.00 -0.60 0.00 0.00 54.58 53.37 3i04 n ASN 202 Cb 0.40 -3.89 0.09 0.00 -0.53 0.00 0.00 39.78 35.85 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 -4.31 1.37 -2.18 3.44 0.24 -0.11 -4.97 118.33 111.82 3i04 n VAL 203 Ca -0.28 -1.61 -0.42 0.00 -2.04 0.00 0.00 64.34 59.98 3i04 n VAL 203 Cb 0.67 0.06 -0.03 0.00 -1.47 0.00 0.00 33.84 33.08 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 -1.99 3.74 0.39 3.34 1.01 -1.21 -4.30 120.40 121.38 3i04 s VAL 204 Ca 0.20 1.02 -0.26 0.00 0.00 0.00 0.00 61.98 62.94 3i04 s VAL 204 Cb 0.17 -3.66 -0.09 0.00 0.00 0.00 0.00 36.38 32.81 3i04 s VAL 204 CO 0.02 -0.05 1.25 -2.16 0.00 0.00 0.00 175.10 174.16 3i04 s PRO 205 N 3.13 4.06 0.00 2.72 0.04 -1.26 -4.90 135.00 138.79 3i04 s PRO 205 Ca 0.66 2.04 0.00 0.00 0.04 0.00 0.00 61.00 63.74 3i04 s PRO 205 Cb -0.31 -2.78 0.00 0.00 0.04 0.00 0.00 34.50 31.45 3i04 s PRO 205 CO 0.25 -0.37 0.00 1.97 0.04 0.00 0.00 177.00 178.89 3i04 n PHE 206 N 0.22 0.00 -4.35 0.56 -1.74 -1.26 -0.96 117.46 109.93 3i04 n PHE 206 Ca 0.03 0.00 -0.19 0.00 -0.56 0.00 0.00 57.45 56.73 3i04 n PHE 206 Cb 0.44 -0.42 -0.10 0.00 1.52 0.00 0.00 39.48 40.93 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 -2.12 1.46 -0.05 4.97 0.00 -1.05 -3.28 107.32 107.25 3i04 s GLY 207 Ca 0.00 -1.66 -0.18 0.00 0.00 0.00 0.00 44.72 42.89 3i04 s GLY 207 CO 0.00 -1.75 0.73 -2.22 0.00 0.00 0.00 173.10 169.86 3i04 h ILE 208 N 2.62 0.46 -0.79 0.90 2.04 -1.21 -1.26 117.51 120.27 3i04 h ILE 208 Ca -0.39 -0.91 -0.03 0.00 1.00 0.00 0.00 64.86 64.54 3i04 h ILE 208 Cb 1.22 0.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.04 3i04 h ILE 208 CO 0.60 0.12 0.39 0.45 0.00 0.00 0.00 178.15 179.71 3i04 h HIS 209 N -0.98 1.11 -0.09 1.37 3.86 -1.83 -2.40 115.15 116.19 3i04 h HIS 209 Ca -0.03 -0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.02 3i04 h HIS 209 Cb 0.46 -0.35 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 3i04 h HIS 209 CO 0.05 0.80 -0.43 0.00 0.86 0.00 0.00 177.93 179.20 3i04 h ALA 210 N 1.31 1.10 -0.30 2.45 0.00 -1.78 -0.86 119.26 121.18 3i04 h ALA 210 Ca 0.27 -0.42 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 3i04 h ALA 210 Cb 0.09 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.78 3i04 h ALA 210 CO -0.04 0.60 0.13 0.77 0.00 0.00 0.00 179.25 180.71 3i04 h SER 211 N 0.18 0.41 -0.18 0.00 0.02 -1.03 -1.73 113.55 111.22 3i04 h SER 211 Ca 0.01 -0.15 0.05 0.00 -0.84 0.00 0.00 61.79 60.86 3i04 h SER 211 Cb 0.84 -0.11 -0.05 0.00 0.14 0.00 0.00 62.40 63.22 3i04 h SER 211 CO 0.07 0.45 -0.16 0.40 -1.14 0.00 0.00 176.83 176.44 3i04 h ILE 212 N 0.34 0.56 -1.00 3.27 2.04 -1.28 -2.98 117.51 118.46 3i04 h ILE 212 Ca 0.10 0.00 0.01 0.00 1.00 0.00 0.00 64.86 65.97 3i04 h ILE 212 Cb 0.16 0.56 -0.05 0.00 -0.74 0.00 0.00 36.82 36.75 3i04 h ILE 212 CO -0.01 0.00 0.66 -1.28 0.00 0.00 0.00 178.15 177.52 3i04 h SER 213 N -0.18 1.16 -0.64 1.72 0.87 -1.13 -2.05 113.55 113.30 3i04 h SER 213 Ca 0.11 -0.03 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 3i04 h SER 213 Cb 0.34 -0.29 -0.03 0.00 -0.44 0.00 0.00 62.40 61.98 3i04 h SER 213 CO -0.29 0.84 0.30 -0.08 -0.53 0.00 0.00 176.83 177.08 3i04 h GLU 214 N 1.36 0.93 -0.35 2.24 4.57 -1.20 0.44 114.58 122.58 3i04 h GLU 214 Ca 0.37 -0.14 -0.05 0.00 -1.18 0.00 0.00 59.36 58.35 3i04 h GLU 214 Cb -0.15 -0.16 -0.01 0.00 -0.16 0.00 0.00 28.75 28.26 3i04 h GLU 214 CO -0.08 0.75 0.01 1.25 -1.18 0.00 0.00 179.01 179.76 3i04 h LEU 215 N 0.89 0.60 -0.68 1.64 5.85 -1.30 -1.51 115.31 120.80 3i04 h LEU 215 Ca 0.22 -0.30 0.14 0.00 0.84 0.00 0.00 57.88 58.77 3i04 h LEU 215 Cb 0.13 -0.16 -0.10 0.00 0.37 0.00 0.00 40.66 40.90 3i04 h LEU 215 CO -0.03 0.75 0.16 0.58 -0.34 0.00 0.00 178.44 179.57 3i04 h VAL 216 N 0.42 0.57 -0.33 1.05 2.07 -1.00 -1.20 116.25 117.83 3i04 h VAL 216 Ca 0.10 -0.09 0.04 0.00 0.82 0.00 0.00 66.70 67.57 3i04 h VAL 216 Cb 0.44 0.28 -0.04 0.00 -1.52 0.00 0.00 31.29 30.45 3i04 h VAL 216 CO 0.02 0.05 0.08 -1.13 0.02 0.00 0.00 177.57 176.61 3i04 h ASN 217 N 0.27 0.05 0.22 0.57 -0.73 -0.72 -2.96 115.58 112.28 3i04 h ASN 217 Ca 0.37 0.05 -0.03 0.00 1.87 0.00 0.00 56.30 58.56 3i04 h ASN 217 Cb 0.60 0.06 -0.00 0.00 0.27 0.00 0.00 38.32 39.24 3i04 h ASN 217 CO -0.46 0.06 -0.16 1.56 -0.37 0.00 0.00 177.43 178.06 3i04 h GLN 218 N 0.21 0.00 0.00 6.67 4.20 -0.27 -2.58 115.11 123.34 3i04 h GLN 218 Ca 0.15 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.86 3i04 h GLN 218 Cb 0.16 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 27.94 3i04 h GLN 218 CO -0.19 0.16 -0.02 0.00 -0.67 0.00 0.00 178.83 178.11 3i04 h ALA 219 N 1.84 0.99 -2.25 3.87 0.00 -1.14 -2.85 119.26 119.71 3i04 h ALA 219 Ca -0.00 -0.02 -0.59 0.00 0.00 0.00 0.00 54.91 54.29 3i04 h ALA 219 Cb 0.32 -0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.25 3i04 h ALA 219 CO 0.02 0.03 -0.18 1.58 0.00 0.00 0.00 179.25 180.71 3i04 n HIS 220 N -3.11 0.14 -1.53 0.00 -0.00 -0.97 -4.88 115.22 104.86 3i04 n HIS 220 Ca 0.03 0.56 -0.56 0.00 -0.00 0.00 0.00 57.72 57.75 3i04 n HIS 220 Cb 0.48 -2.08 -0.07 0.00 -0.00 0.00 0.00 29.99 28.33 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 0.27 0.46 -3.15 1.57 0.00 -1.26 -2.09 117.12 112.92 3i04 n MET 221 Ca 0.11 0.17 -0.21 0.00 -0.00 0.00 0.00 57.70 57.76 3i04 n MET 221 Cb 0.41 -1.71 0.05 0.00 0.00 0.00 0.00 33.22 31.96 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 1.91 -0.44 0.00 -5.12 0.00 -1.26 -5.00 105.19 95.28 3i04 n GLY 222 Ca 0.19 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.32 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 -4.10 0.00 -2.70 1.61 2.00 -0.89 -5.05 117.12 108.00 3i04 n MET 223 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.23 3i04 n MET 223 Cb 0.59 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.76 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 -0.87 7.52 -0.07 7.83 3.68 -1.08 -4.93 116.67 128.75 3i04 s ASP 224 Ca 0.00 1.91 0.10 0.00 2.13 0.00 0.00 52.55 56.70 3i04 s ASP 224 Cb 0.00 -2.60 0.16 0.00 -1.45 0.00 0.00 42.92 39.03 3i04 s ASP 224 CO 0.00 -0.00 1.07 -3.20 0.13 0.00 0.00 175.17 173.17 3i04 n ASN 225 N 2.16 2.05 -4.58 -0.34 5.15 -1.26 -4.97 115.26 113.47 3i04 n ASN 225 Ca 0.01 -2.56 -0.37 0.00 -0.60 0.00 0.00 54.58 51.06 3i04 n ASN 225 Cb 0.48 -0.24 -0.11 0.00 -0.53 0.00 0.00 39.78 39.38 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 -1.99 5.81 0.22 1.20 -1.08 -1.26 -4.86 116.67 114.72 3i04 s ASP 226 Ca 0.17 -0.01 -0.03 0.00 -0.52 0.00 0.00 52.55 52.16 3i04 s ASP 226 Cb 0.15 -2.06 0.22 0.00 -1.46 0.00 0.00 42.92 39.78 3i04 s ASP 226 CO 0.02 0.01 1.64 1.55 0.52 0.00 0.00 175.17 178.90 3i04 h PRO 227 N 7.93 0.70 -0.15 4.34 0.13 -1.96 -1.20 132.00 141.78 3i04 h PRO 227 Ca -0.37 -0.29 -0.04 0.00 -0.87 0.00 0.00 66.00 64.44 3i04 h PRO 227 Cb 1.18 -0.03 -0.00 0.00 0.13 0.00 0.00 31.00 32.28 3i04 h PRO 227 CO 0.60 0.88 -0.04 0.28 -0.23 0.00 0.00 178.00 179.49 3i04 h VAL 228 N 0.61 1.29 -0.55 1.56 2.07 -1.98 0.54 116.25 119.79 3i04 h VAL 228 Ca 0.08 -1.01 0.05 0.00 0.82 0.00 0.00 66.70 66.64 3i04 h VAL 228 Cb 0.75 1.65 -0.05 0.00 -1.52 0.00 0.00 31.29 32.12 3i04 h VAL 228 CO 0.06 0.30 0.27 -1.13 0.02 0.00 0.00 177.57 177.09 3i04 h ASN 229 N -0.01 0.39 -0.58 0.57 -1.24 -1.96 0.56 115.58 113.30 3i04 h ASN 229 Ca 0.04 0.03 -0.08 0.00 0.71 0.00 0.00 56.30 57.00 3i04 h ASN 229 Cb 0.48 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.47 3i04 h ASN 229 CO 0.02 0.26 0.03 -0.07 -1.29 0.00 0.00 177.43 176.38 3i04 h LEU 230 N 0.52 0.98 -0.38 0.34 3.38 -1.15 -1.74 115.31 117.25 3i04 h LEU 230 Ca 0.24 -0.29 -0.10 0.00 0.09 0.00 0.00 57.88 57.82 3i04 h LEU 230 Cb 0.16 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.64 3i04 h LEU 230 CO -0.18 1.03 -0.17 0.58 0.09 0.00 0.00 178.44 179.79 3i04 h VAL 231 N 0.90 1.28 -0.86 1.22 2.07 -0.45 -2.34 116.25 118.07 3i04 h VAL 231 Ca 0.17 -1.29 0.06 0.00 0.82 0.00 0.00 66.70 66.45 3i04 h VAL 231 Cb 0.51 1.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.52 3i04 h VAL 231 CO 0.02 0.43 0.54 -0.26 0.02 0.00 0.00 177.57 178.32 3i04 h PHE 232 N 0.59 1.00 -0.73 1.57 -1.00 -0.82 -0.09 116.94 117.47 3i04 h PHE 232 Ca 0.09 0.03 -0.04 0.00 2.81 0.00 0.00 57.97 60.86 3i04 h PHE 232 Cb 0.71 -0.32 -0.03 0.00 3.61 0.00 0.00 35.95 39.92 3i04 h PHE 232 CO 0.06 0.52 0.31 1.03 -1.61 0.00 0.00 178.31 178.61 3i04 h SER 233 N 1.00 0.99 -0.85 2.17 0.87 -1.16 -0.69 113.55 115.86 3i04 h SER 233 Ca 0.37 -0.16 -0.01 0.00 -1.23 0.00 0.00 61.79 60.75 3i04 h SER 233 Cb 0.14 -0.26 -0.04 0.00 -0.44 0.00 0.00 62.40 61.80 3i04 h SER 233 CO -0.16 0.88 0.48 0.00 -0.53 0.00 0.00 176.83 177.50 3i04 h ALA 234 N 1.15 1.09 -0.87 6.23 0.00 -0.96 -1.41 119.26 124.48 3i04 h ALA 234 Ca 0.24 -0.12 0.01 0.00 0.00 0.00 0.00 54.91 55.04 3i04 h ALA 234 Cb 0.19 -0.34 -0.04 0.00 0.00 0.00 0.00 17.79 17.59 3i04 h ALA 234 CO -0.02 0.59 0.57 0.82 0.00 0.00 0.00 179.25 181.20 3i04 h ILE 235 N 1.19 1.23 -0.74 0.00 2.04 -0.71 0.90 117.51 121.41 3i04 h ILE 235 Ca 0.30 -0.43 -0.06 0.00 1.00 0.00 0.00 64.86 65.67 3i04 h ILE 235 Cb 0.01 -0.05 -0.03 0.00 -0.74 0.00 0.00 36.82 36.01 3i04 h ILE 235 CO -0.05 0.22 0.22 -0.09 0.00 0.00 0.00 178.15 178.45 3i04 h ARG 236 N 1.19 1.16 -0.52 2.37 2.43 -0.79 0.61 114.38 120.82 3i04 h ARG 236 Ca 0.32 -0.26 -0.04 0.00 -0.81 0.00 0.00 59.98 59.19 3i04 h ARG 236 Cb -0.12 -0.16 -0.02 0.00 -0.42 0.00 0.00 29.97 29.24 3i04 h ARG 236 CO -0.07 1.00 0.18 0.28 -1.51 0.00 0.00 179.97 179.85 3i04 h VAL 237 N 1.11 1.23 -0.76 0.20 2.07 -1.07 -0.59 116.25 118.44 3i04 h VAL 237 Ca 0.24 -0.74 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 3i04 h VAL 237 Cb 0.33 0.73 -0.03 0.00 -1.52 0.00 0.00 31.29 30.80 3i04 h VAL 237 CO -0.00 0.28 0.35 0.00 0.02 0.00 0.00 177.57 178.21 3i04 h ALA 238 N 1.03 0.98 -0.32 1.67 0.00 -0.33 0.48 119.26 122.77 3i04 h ALA 238 Ca 0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 238 Cb 0.25 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 3i04 h ALA 238 CO -0.01 0.56 0.06 -0.07 0.00 0.00 0.00 179.25 179.78 3i04 h LEU 239 N 1.08 0.43 -0.48 0.00 3.38 -0.76 -0.25 115.31 118.71 3i04 h LEU 239 Ca 0.26 -0.06 -0.04 0.00 0.09 0.00 0.00 57.88 58.13 3i04 h LEU 239 Cb 0.14 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3i04 h LEU 239 CO -0.03 0.46 0.15 0.00 0.09 0.00 0.00 178.44 179.11 3i04 h ALA 240 N 1.61 0.63 0.00 1.53 0.00 -0.19 -1.20 119.26 121.65 3i04 h ALA 240 Ca 0.11 -0.18 0.03 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 240 Cb 0.22 -0.19 -0.06 0.00 0.00 0.00 0.00 17.79 17.76 3i04 h ALA 240 CO -0.00 0.28 -0.49 0.22 0.00 0.00 0.00 179.25 179.27 3i04 h ASP 241 N 0.65 -1.50 -0.77 0.00 3.58 -0.53 -0.90 116.42 116.95 3i04 h ASP 241 Ca 0.16 0.17 0.14 0.00 0.42 0.00 0.00 57.03 57.92 3i04 h ASP 241 Cb 0.27 0.57 -0.09 0.00 1.72 0.00 0.00 39.33 41.80 3i04 h ASP 241 CO -0.01 -0.50 0.35 0.22 -2.88 0.00 0.00 179.24 176.42 3i04 h TYR 242 N -0.64 0.60 -0.00 0.28 3.20 -0.91 -0.30 116.97 119.20 3i04 h TYR 242 Ca 0.03 0.03 0.03 0.00 3.14 0.00 0.00 58.73 61.96 3i04 h TYR 242 Cb 0.70 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.78 3i04 h TYR 242 CO -0.48 0.12 -0.21 1.15 -1.64 0.00 0.00 178.16 177.10 3i04 h THR 243 N 0.51 0.50 -0.97 1.81 2.02 -0.76 -1.11 112.91 114.91 3i04 h THR 243 Ca 0.42 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.60 3i04 h THR 243 Cb 0.60 0.50 -0.05 0.00 -1.74 0.00 0.00 68.15 67.46 3i04 h THR 243 CO -0.37 0.00 0.63 1.23 0.37 0.00 0.00 175.52 177.37 3i04 h GLY 244 N -0.34 1.38 0.71 2.16 0.00 -0.58 -1.76 103.07 104.65 3i04 h GLY 244 Ca 0.06 -0.53 0.06 0.00 0.00 0.00 0.00 47.33 46.92 3i04 h GLY 244 CO -0.20 0.52 0.46 0.83 0.00 0.00 0.00 176.54 178.15 3i04 h GLU 245 N 1.32 0.81 -0.06 4.80 5.08 -0.48 -1.15 114.58 124.90 3i04 h GLU 245 Ca 0.35 -0.05 -0.19 0.00 -1.00 0.00 0.00 59.36 58.47 3i04 h GLU 245 Cb -0.12 -0.18 -0.00 0.00 0.50 0.00 0.00 28.75 28.94 3i04 h GLU 245 CO -0.07 0.54 -0.78 1.25 -1.00 0.00 0.00 179.01 178.95 3i04 h HIS 246 N 0.84 0.58 -0.07 4.33 2.76 -0.65 -1.02 115.15 121.92 3i04 h HIS 246 Ca 0.34 -0.27 0.01 0.00 -2.20 0.00 0.00 60.37 58.25 3i04 h HIS 246 Cb 0.17 -0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 3i04 h HIS 246 CO -0.05 1.04 -0.01 0.82 -1.30 0.00 0.00 177.93 178.43 3i04 h ILE 247 N 0.28 0.94 -0.45 6.26 2.04 -1.17 -0.64 117.51 124.76 3i04 h ILE 247 Ca -0.04 -0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 3i04 h ILE 247 Cb 1.37 0.93 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 3i04 h ILE 247 CO 0.13 0.00 0.19 0.00 0.00 0.00 0.00 178.15 178.48 3i04 h ALA 248 N 1.06 0.56 0.03 1.87 0.00 -0.91 -1.25 119.26 120.62 3i04 h ALA 248 Ca 0.03 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 248 Cb 0.05 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 248 CO -0.07 -0.18 -0.01 1.15 0.00 0.00 0.00 179.25 180.14 3i04 h THR 249 N 0.39 1.04 -0.03 0.00 2.02 -1.02 -0.57 112.91 114.74 3i04 h THR 249 Ca 0.20 -0.23 0.03 0.00 0.77 0.00 0.00 66.41 67.18 3i04 h THR 249 Cb 0.16 1.20 -0.03 0.00 -1.74 0.00 0.00 68.15 67.73 3i04 h THR 249 CO -0.18 0.06 -0.15 0.44 0.37 0.00 0.00 175.52 176.06 3i04 h ASP 250 N -0.14 -0.45 0.41 4.18 3.32 -0.91 -1.28 116.42 121.55 3i04 h ASP 250 Ca -0.00 0.07 -0.16 0.00 0.02 0.00 0.00 57.03 56.95 3i04 h ASP 250 Cb 0.13 0.20 -0.01 0.00 0.22 0.00 0.00 39.33 39.86 3i04 h ASP 250 CO 0.01 -0.21 -0.69 -0.26 -1.72 0.00 0.00 179.24 176.37 3i04 h PHE 251 N -0.24 0.33 -0.62 4.55 0.04 -1.23 -1.91 116.94 117.86 3i04 h PHE 251 Ca 0.06 -0.14 -0.01 0.00 2.80 0.00 0.00 57.97 60.68 3i04 h PHE 251 Cb 0.32 -0.05 -0.03 0.00 2.20 0.00 0.00 35.95 38.39 3i04 h PHE 251 CO -0.22 0.86 0.34 0.77 -0.60 0.00 0.00 178.31 179.45 3i04 h SER 252 N 0.17 0.78 -0.59 2.17 0.02 -0.91 0.32 113.55 115.51 3i04 h SER 252 Ca -0.02 -0.10 -0.08 0.00 -0.84 0.00 0.00 61.79 60.75 3i04 h SER 252 Cb 1.24 -0.20 -0.02 0.00 0.14 0.00 0.00 62.40 63.56 3i04 h SER 252 CO 0.11 0.65 0.05 0.44 -1.14 0.00 0.00 176.83 176.94 3i04 h ASP 253 N 0.84 0.98 -0.15 3.07 3.32 -0.98 0.13 116.42 123.63 3i04 h ASP 253 Ca 0.22 -0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.00 3i04 h ASP 253 Cb 0.05 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3i04 h ASP 253 CO -0.03 1.02 0.06 0.40 -1.72 0.00 0.00 179.24 178.96 3i04 h ILE 254 N 0.90 0.98 -0.11 0.35 2.04 -1.12 0.20 117.51 120.76 3i04 h ILE 254 Ca 0.17 -0.05 -0.17 0.00 1.00 0.00 0.00 64.86 65.82 3i04 h ILE 254 Cb 0.48 0.83 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 3i04 h ILE 254 CO 0.02 0.03 -0.65 -0.07 0.00 0.00 0.00 178.15 177.48 3i04 h LEU 255 N 0.14 0.48 -0.27 1.44 3.38 -0.84 0.23 115.31 119.87 3i04 h LEU 255 Ca 0.06 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3i04 h LEU 255 Cb 0.02 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 40.63 3i04 h LEU 255 CO -0.05 1.00 -0.06 0.49 0.09 0.00 0.00 178.44 179.91 3i04 n PHE 256 N -3.88 0.00 0.00 1.13 3.01 0.44 -3.73 117.46 114.43 3i04 n PHE 256 Ca -0.04 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.42 3i04 n PHE 256 Cb 0.66 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.13 3i04 n PHE 256 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 3i04 n GLY 257 N 0.81 2.23 3.70 1.37 0.00 0.69 -4.97 105.19 109.01 3i04 n GLY 257 Ca 0.01 -1.63 -0.42 0.00 0.00 0.00 0.00 46.02 43.98 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 -1.34 4.43 0.45 2.61 2.01 -1.22 -4.45 115.64 118.13 3i04 s THR 258 Ca 0.00 1.74 -0.24 0.00 0.31 0.00 0.00 61.69 63.50 3i04 s THR 258 Cb 0.00 -4.12 -0.09 0.00 0.01 0.00 0.00 72.50 68.30 3i04 s THR 258 CO 0.00 0.09 1.19 -2.65 -0.69 0.00 0.00 174.62 172.56 3i04 n PRO 259 N 4.31 1.66 -4.32 4.92 -0.02 -1.26 -5.05 135.00 135.24 3i04 n PRO 259 Ca 0.08 0.60 -0.18 0.00 -2.02 0.00 0.00 63.50 61.98 3i04 n PRO 259 Cb 0.48 -2.30 -0.10 0.00 -0.02 0.00 0.00 33.50 31.56 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 -2.29 1.27 0.31 -0.52 -0.21 -1.15 -4.02 119.66 113.05 3i04 s GLN 260 Ca 0.64 -1.55 -0.27 0.00 0.02 0.00 0.00 55.36 54.20 3i04 s GLN 260 Cb -0.50 -1.03 -0.14 0.00 1.00 0.00 0.00 33.01 32.35 3i04 s GLN 260 CO 0.56 0.17 0.98 -2.30 -2.12 0.00 0.00 175.29 172.57 3i04 n PRO 261 N -0.30 1.30 -3.67 2.91 -0.02 -1.18 -4.30 135.00 129.75 3i04 n PRO 261 Ca -0.09 0.46 -0.14 0.00 -2.02 0.00 0.00 63.50 61.71 3i04 n PRO 261 Cb 0.60 -1.85 -0.08 0.00 -0.02 0.00 0.00 33.50 32.15 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 -1.11 0.01 -0.05 -1.45 0.11 0.09 -4.93 120.40 113.07 3i04 s VAL 262 Ca 0.59 -0.11 -0.01 0.00 -2.93 0.00 0.00 61.98 59.52 3i04 s VAL 262 Cb -0.68 -0.76 -0.03 0.00 -1.53 0.00 0.00 36.38 33.37 3i04 s VAL 262 CO 0.59 -0.06 0.01 -0.69 -3.33 0.00 0.00 175.10 171.62 3i04 s VAL 263 N -0.43 4.30 0.00 2.04 1.01 -1.26 -0.96 120.40 125.10 3i04 s VAL 263 Ca -0.06 -0.37 0.00 0.00 0.00 0.00 0.00 61.98 61.56 3i04 s VAL 263 Cb -0.03 -2.85 0.00 0.00 0.00 0.00 0.00 36.38 33.50 3i04 s VAL 263 CO 0.04 0.52 0.00 -0.24 0.00 0.00 0.00 175.10 175.41 3i04 n SER 264 N 1.84 0.00 -4.10 3.32 2.88 -0.27 -4.87 113.62 112.43 3i04 n SER 264 Ca -0.17 0.00 -0.10 0.00 -1.33 0.00 0.00 58.87 57.27 3i04 n SER 264 Cb 0.53 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.90 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 1.31 1.01 0.00 -1.46 2.02 -1.26 -1.27 118.70 119.06 3i04 s GLU 265 Ca 0.00 -1.37 -0.14 0.00 0.02 0.00 0.00 54.97 53.49 3i04 s GLU 265 Cb 0.00 0.29 0.02 0.00 0.10 0.00 0.00 34.13 34.53 3i04 s GLU 265 CO 0.00 -0.32 0.28 0.00 0.02 0.00 0.00 175.26 175.24 3i04 s ALA 266 N -4.03 -0.69 0.00 5.21 0.00 -0.23 -1.72 121.76 120.30 3i04 s ALA 266 Ca 0.23 0.18 0.00 0.00 0.00 0.00 0.00 51.96 52.37 3i04 s ALA 266 Cb 0.06 0.14 0.00 0.00 0.00 0.00 0.00 23.12 23.32 3i04 s ALA 266 CO 0.02 -0.29 0.00 -1.71 0.00 0.00 0.00 175.76 173.78 3i04 n ASN 267 N 1.12 0.00 0.29 0.00 2.85 0.12 -0.94 115.26 118.70 3i04 n ASN 267 Ca -0.21 0.00 0.19 0.00 -0.11 0.00 0.00 54.58 54.45 3i04 n ASN 267 Cb 0.57 0.00 0.89 0.00 1.24 0.00 0.00 39.78 42.48 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 -1.43 -2.04 114.93 115.52 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 -0.51 -0.65 0.01 8.32 0.00 0.00 -0.77 105.19 111.59 3i04 n GLY 269 Ca -0.01 0.06 0.10 0.00 0.00 0.00 0.00 46.02 46.17 3i04 n GLY 269 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 3i04 n VAL 270 N -1.74 0.58 -2.52 1.61 0.24 -0.77 -4.79 118.33 110.95 3i04 n VAL 270 Ca -0.00 0.13 -0.38 0.00 -2.04 0.00 0.00 64.34 62.05 3i04 n VAL 270 Cb 0.02 -0.80 -0.04 0.00 -1.47 0.00 0.00 33.84 31.56 3i04 n VAL 270 CO 0.00 0.00 0.00 -0.76 -2.14 0.00 0.00 176.83 173.93 3i04 s LEU 271 N -3.16 4.28 -0.19 1.34 1.43 0.05 -5.04 118.68 117.39 3i04 s LEU 271 Ca 0.10 2.11 -0.00 0.00 -1.03 0.00 0.00 54.13 55.31 3i04 s LEU 271 Cb 0.13 -4.00 0.05 0.00 0.03 0.00 0.00 46.19 42.40 3i04 s LEU 271 CO 0.39 -0.37 -0.06 -0.62 0.23 0.00 0.00 176.35 175.91 3i04 s ASP 272 N -1.34 3.16 0.58 2.29 -1.08 -1.26 -5.02 116.67 114.00 3i04 s ASP 272 Ca 0.53 -0.82 0.28 0.00 -0.52 0.00 0.00 52.55 52.02 3i04 s ASP 272 Cb -0.25 -1.03 1.65 0.00 -1.46 0.00 0.00 42.92 41.82 3i04 s ASP 272 CO 0.32 -0.19 2.13 1.55 0.52 0.00 0.00 175.17 179.50 3i04 h PRO 273 N 8.06 0.00 -0.59 4.34 0.13 -1.97 -1.93 132.00 140.03 3i04 h PRO 273 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3i04 h PRO 273 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3i04 h PRO 273 CO 0.42 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.94 3i04 n ASP 274 N -3.91 3.67 -4.75 1.44 8.00 -1.26 -4.91 116.55 114.83 3i04 n ASP 274 Ca 0.01 -1.99 -0.24 0.00 0.71 0.00 0.00 54.79 53.27 3i04 n ASP 274 Cb 0.27 -0.39 -0.07 0.00 -0.02 0.00 0.00 41.12 40.91 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 -1.21 2.27 -0.38 -1.24 -0.21 -0.73 -0.52 119.66 117.64 3i04 s GLN 275 Ca 0.45 -1.77 -0.29 0.00 0.02 0.00 0.00 55.36 53.76 3i04 s GLN 275 Cb 0.24 -2.05 0.01 0.00 1.00 0.00 0.00 33.01 32.22 3i04 s GLN 275 CO 0.32 -0.09 1.24 0.08 -2.12 0.00 0.00 175.29 174.72 3i04 s VAL 276 N -2.56 4.17 -0.42 1.09 1.01 -0.66 -4.86 120.40 118.17 3i04 s VAL 276 Ca 0.41 1.27 -0.21 0.00 0.00 0.00 0.00 61.98 63.45 3i04 s VAL 276 Cb 0.02 -4.34 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3i04 s VAL 276 CO 0.23 -0.70 0.65 0.20 0.00 0.00 0.00 175.10 175.48 3i04 s ASN 277 N 2.75 6.35 -0.26 3.32 0.01 -1.26 -0.23 114.94 125.62 3i04 s ASN 277 Ca 0.53 -0.23 0.01 0.00 -0.71 0.00 0.00 52.86 52.46 3i04 s ASN 277 Cb -0.12 -2.32 0.05 0.00 0.41 0.00 0.00 41.25 39.26 3i04 s ASN 277 CO 0.26 -0.75 -0.09 0.12 -1.51 0.00 0.00 177.10 175.13 3i04 s PHE 278 N 2.82 3.19 -0.15 2.20 5.36 -0.76 -0.70 117.98 129.94 3i04 s PHE 278 Ca 0.23 -2.06 -0.17 0.00 -0.96 0.00 0.00 56.93 53.97 3i04 s PHE 278 Cb -0.14 -1.98 -0.04 0.00 -0.34 0.00 0.00 43.02 40.52 3i04 s PHE 278 CO 0.18 -0.84 0.44 0.08 -1.46 0.00 0.00 175.22 173.62 3i04 s VAL 279 N 1.18 5.20 -0.28 3.12 1.01 0.12 -1.86 120.40 128.88 3i04 s VAL 279 Ca -0.05 0.84 -0.13 0.00 0.00 0.00 0.00 61.98 62.63 3i04 s VAL 279 Cb -0.19 -3.77 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 3i04 s VAL 279 CO -0.05 0.31 0.29 -0.76 0.00 0.00 0.00 175.10 174.88 3i04 s LEU 280 N 0.84 4.09 0.01 3.92 1.43 0.63 -0.86 118.68 128.75 3i04 s LEU 280 Ca 0.23 0.07 -0.00 0.00 -1.03 0.00 0.00 54.13 53.40 3i04 s LEU 280 Cb -0.15 -2.27 -0.01 0.00 0.03 0.00 0.00 46.19 43.79 3i04 s LEU 280 CO 0.09 -0.14 -0.02 -2.28 0.23 0.00 0.00 176.35 174.23 3i04 s HIS 281 N 1.91 0.19 0.00 0.29 2.46 -1.01 -1.14 115.29 117.99 3i04 s HIS 281 Ca 0.11 -0.39 0.00 0.00 0.47 0.00 0.00 55.06 55.25 3i04 s HIS 281 Cb -0.16 -0.14 0.00 0.00 -0.13 0.00 0.00 32.58 32.15 3i04 s HIS 281 CO 0.11 -0.15 0.00 0.41 -2.47 0.00 0.00 174.74 172.64 3i04 n GLY 282 N 1.95 0.17 0.00 1.59 0.00 -1.26 -2.86 105.19 104.79 3i04 n GLY 282 Ca -0.21 -1.99 0.00 0.00 0.00 0.00 0.00 46.02 43.82 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 -3.29 1.61 8.25 -1.18 -0.88 115.22 119.72 3i04 n HIS 283 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 3i04 n HIS 283 Cb 0.00 0.00 -0.08 0.00 1.12 0.00 0.00 29.99 31.03 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 -2.45 6.26 0.04 0.41 3.04 -1.26 -4.05 114.94 116.92 3i04 s ASN 284 Ca 0.00 -0.24 0.09 0.00 0.04 0.00 0.00 52.86 52.75 3i04 s ASN 284 Cb 0.00 -2.25 0.41 0.00 -1.54 0.00 0.00 41.25 37.88 3i04 s ASN 284 CO 0.00 -0.49 1.29 -0.81 -3.04 0.00 0.00 177.10 174.05 3i04 n PRO 285 N 5.67 0.02 -0.09 0.43 -0.04 -1.26 -1.99 135.00 137.74 3i04 n PRO 285 Ca -0.06 0.41 0.19 0.00 -0.04 0.00 0.00 63.50 63.99 3i04 n PRO 285 Cb 0.49 -1.56 0.61 0.00 -0.04 0.00 0.00 33.50 32.99 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 0.18 0.00 1.53 3.38 -1.99 0.32 115.31 118.72 3i04 h LEU 286 Ca 0.00 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.98 3i04 h LEU 286 Cb 0.13 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.85 3i04 h LEU 286 CO 0.00 0.09 -0.32 0.25 0.09 0.00 0.00 178.44 178.56 3i04 h LEU 287 N 0.19 0.00 -1.27 1.67 5.85 -1.83 -3.38 115.31 116.54 3i04 h LEU 287 Ca 0.32 0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.07 3i04 h LEU 287 Cb 1.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 41.99 3i04 h LEU 287 CO -0.06 0.57 0.51 0.77 -0.34 0.00 0.00 178.44 179.89 3i04 h SER 288 N -0.83 0.82 -0.36 1.25 4.64 -1.53 -2.12 113.55 115.43 3i04 h SER 288 Ca 0.00 -0.01 -0.05 0.00 -0.47 0.00 0.00 61.79 61.26 3i04 h SER 288 Cb 0.32 -0.19 -0.02 0.00 -0.31 0.00 0.00 62.40 62.19 3i04 h SER 288 CO 0.00 0.57 0.05 -0.33 -0.87 0.00 0.00 176.83 176.25 3i04 h GLU 289 N 0.95 0.69 -0.13 4.77 4.39 -1.18 -1.46 114.58 122.62 3i04 h GLU 289 Ca 0.30 -0.15 -0.21 0.00 0.34 0.00 0.00 59.36 59.64 3i04 h GLU 289 Cb 0.03 -0.10 0.00 0.00 -0.10 0.00 0.00 28.75 28.59 3i04 h GLU 289 CO -0.09 0.67 -0.76 0.82 -1.16 0.00 0.00 179.01 178.49 3i04 h ILE 290 N 0.66 1.31 -0.44 3.13 1.08 -1.57 -2.52 117.51 119.16 3i04 h ILE 290 Ca 0.14 -2.03 0.03 0.00 -0.39 0.00 0.00 64.86 62.60 3i04 h ILE 290 Cb 0.34 2.03 -0.03 0.00 -3.07 0.00 0.00 36.82 36.08 3i04 h ILE 290 CO 0.01 0.63 0.25 0.40 -0.69 0.00 0.00 178.15 178.75 3i04 h ILE 291 N 0.44 1.02 -0.41 -0.67 1.08 -1.26 0.15 117.51 117.85 3i04 h ILE 291 Ca -0.04 -0.17 0.08 0.00 -0.39 0.00 0.00 64.86 64.34 3i04 h ILE 291 Cb 1.37 0.48 -0.07 0.00 -3.07 0.00 0.00 36.82 35.53 3i04 h ILE 291 CO 0.15 0.09 -0.04 0.58 -0.69 0.00 0.00 178.15 178.24 3i04 h VAL 292 N 0.49 0.65 -0.05 1.67 2.07 -1.19 -0.40 116.25 119.48 3i04 h VAL 292 Ca 0.18 -0.02 -0.00 0.00 0.82 0.00 0.00 66.70 67.68 3i04 h VAL 292 Cb 0.04 0.58 -0.00 0.00 -1.52 0.00 0.00 31.29 30.39 3i04 h VAL 292 CO -0.10 0.01 0.02 -0.61 0.02 0.00 0.00 177.57 176.91 3i04 h GLN 293 N 0.06 0.08 -0.35 1.57 5.75 -1.05 -2.97 115.11 118.20 3i04 h GLN 293 Ca 0.20 -0.02 0.07 0.00 -0.15 0.00 0.00 58.65 58.76 3i04 h GLN 293 Cb 0.30 -0.01 -0.02 0.00 1.07 0.00 0.00 27.48 28.82 3i04 h GLN 293 CO -0.37 0.24 0.24 0.00 -2.65 0.00 0.00 178.83 176.29 3i04 h ALA 294 N 0.84 2.12 -0.03 3.38 0.00 -0.48 -2.41 119.26 122.68 3i04 h ALA 294 Ca 0.02 -0.01 -0.14 0.00 0.00 0.00 0.00 54.91 54.78 3i04 h ALA 294 Cb 0.19 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.94 3i04 h ALA 294 CO -0.00 -0.20 -0.62 0.00 0.00 0.00 0.00 179.25 178.43 3i04 h ALA 295 N 1.82 0.91 0.00 0.00 0.00 -0.91 -2.36 119.26 118.72 3i04 h ALA 295 Ca 0.16 -0.56 -0.01 0.00 0.00 0.00 0.00 54.91 54.50 3i04 h ALA 295 Cb 0.43 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.13 3i04 h ALA 295 CO -0.02 0.75 -0.06 0.00 0.00 0.00 0.00 179.25 179.92 3i04 h ARG 296 N 0.08 0.00 0.00 0.00 3.08 -1.40 -2.53 114.38 113.62 3i04 h ARG 296 Ca -0.01 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3i04 h ARG 296 Cb 1.11 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.16 3i04 h ARG 296 CO 0.09 0.06 -0.92 0.39 -1.07 0.00 0.00 179.97 178.52 3i04 n GLU 297 N -3.84 0.01 -0.07 0.04 1.02 -0.93 -4.30 120.64 112.57 3i04 n GLU 297 Ca -0.02 -0.00 0.08 0.00 -0.02 0.00 0.00 57.16 57.19 3i04 n GLU 297 Cb 0.16 -1.50 0.11 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.51 1.64 -0.07 3.49 2.81 -0.93 -4.64 117.12 117.91 3i04 n MET 298 Ca 0.04 -1.67 0.07 0.00 -1.81 0.00 0.00 57.70 54.33 3i04 n MET 298 Cb 0.33 -1.32 0.43 0.00 -0.71 0.00 0.00 33.22 31.96 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 2.96 0.53 -0.34 0.03 4.39 -1.72 -2.65 114.58 117.79 3i04 h GLU 299 Ca 0.00 -0.03 -0.15 0.00 0.34 0.00 0.00 59.36 59.52 3i04 h GLU 299 Cb 0.70 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.22 3i04 h GLU 299 CO 0.00 0.35 -0.36 0.78 -1.16 0.00 0.00 179.01 178.62 3i04 h GLY 300 N 0.55 0.92 1.16 -3.84 0.00 -1.92 -2.54 103.07 97.39 3i04 h GLY 300 Ca 0.23 -0.96 0.08 0.00 0.00 0.00 0.00 47.33 46.68 3i04 h GLY 300 CO -0.06 0.86 0.38 0.83 0.00 0.00 0.00 176.54 178.55 3i04 h GLU 301 N 0.63 0.43 0.06 4.80 5.08 -1.81 -0.74 114.58 123.04 3i04 h GLU 301 Ca 0.05 -0.03 -0.18 0.00 -1.00 0.00 0.00 59.36 58.20 3i04 h GLU 301 Cb 0.95 -0.10 0.02 0.00 0.50 0.00 0.00 28.75 30.12 3i04 h GLU 301 CO 0.09 0.29 -0.76 0.00 -1.00 0.00 0.00 179.01 177.63 3i04 h ALA 302 N 1.71 0.01 -0.73 3.43 0.00 -1.45 -3.04 119.26 119.18 3i04 h ALA 302 Ca 0.25 -0.64 0.01 0.00 0.00 0.00 0.00 54.91 54.53 3i04 h ALA 302 Cb 0.41 0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.23 3i04 h ALA 302 CO -0.07 0.40 0.49 0.87 0.00 0.00 0.00 179.25 180.94 3i04 h LYS 303 N -0.15 0.97 -0.17 0.00 1.57 -1.24 -1.76 116.57 115.79 3i04 h LYS 303 Ca -0.11 -0.06 0.05 0.00 -1.87 0.00 0.00 60.65 58.66 3i04 h LYS 303 Cb 1.50 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.59 3i04 h LYS 303 CO 0.15 0.64 0.17 0.00 -0.57 0.00 0.00 179.45 179.84 3i04 h ALA 304 N 1.27 1.85 -0.07 3.86 0.00 -1.17 0.56 119.26 125.56 3i04 h ALA 304 Ca 0.27 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.17 3i04 h ALA 304 Cb -0.11 0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.69 3i04 h ALA 304 CO -0.06 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 178.93 3i04 n ALA 305 N -2.38 2.54 -0.04 0.00 0.00 -0.72 -4.94 120.51 114.98 3i04 n ALA 305 Ca 0.01 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3i04 n ALA 305 Cb 0.29 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.64 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 1.19 0.46 3.87 0.00 0.00 0.19 -4.73 105.19 106.18 3i04 n GLY 306 Ca 0.18 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -2.08 3.31 -1.51 4.61 0.00 -0.86 -4.98 121.76 120.26 3i04 s ALA 307 Ca 0.00 -0.18 0.30 0.00 0.00 0.00 0.00 51.96 52.08 3i04 s ALA 307 Cb 0.00 -2.75 1.46 0.00 0.00 0.00 0.00 23.12 21.82 3i04 s ALA 307 CO 0.00 -0.08 2.01 1.63 0.00 0.00 0.00 175.76 179.32 3i04 n LYS 308 N -1.44 0.52 -2.48 0.00 4.76 0.33 -3.70 118.16 116.15 3i04 n LYS 308 Ca 0.03 -0.06 0.00 0.00 -2.87 0.00 0.00 58.31 55.41 3i04 n LYS 308 Cb 0.54 -1.50 0.00 0.00 -1.84 0.00 0.00 35.03 32.23 3i04 n LYS 308 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3i04 n GLY 309 N 1.27 -1.16 3.63 0.72 0.00 -1.26 -4.95 105.19 103.44 3i04 n GLY 309 Ca 0.15 -1.54 -0.36 0.00 0.00 0.00 0.00 46.02 44.26 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 -1.91 5.15 -0.62 -0.61 1.01 -1.26 -1.65 121.20 121.31 3i04 s ILE 310 Ca 0.00 0.11 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 3i04 s ILE 310 Cb 0.00 -3.39 0.16 0.00 0.01 0.00 0.00 42.46 39.24 3i04 s ILE 310 CO 0.00 0.36 0.50 0.21 0.00 0.00 0.00 174.94 176.01 3i04 s ASN 311 N 1.03 5.92 0.05 3.58 2.47 0.68 -4.90 114.94 123.76 3i04 s ASN 311 Ca 0.07 -2.37 -0.30 0.00 0.42 0.00 0.00 52.86 50.68 3i04 s ASN 311 Cb -0.14 -2.04 -0.05 0.00 -1.45 0.00 0.00 41.25 37.58 3i04 s ASN 311 CO 0.04 -0.59 1.07 -0.76 -3.72 0.00 0.00 177.10 173.14 3i04 s LEU 312 N 0.67 4.40 0.05 3.21 1.43 -1.26 -1.83 118.68 125.35 3i04 s LEU 312 Ca 0.12 1.85 0.00 0.00 -1.03 0.00 0.00 54.13 55.07 3i04 s LEU 312 Cb -0.20 -3.58 -0.03 0.00 0.03 0.00 0.00 46.19 42.40 3i04 s LEU 312 CO -0.03 -0.31 -0.04 0.68 0.23 0.00 0.00 176.35 176.88 3i04 s VAL 313 N 0.77 0.30 0.20 -1.59 -7.23 -0.78 -4.31 120.40 107.76 3i04 s VAL 313 Ca 0.54 -1.47 0.09 0.00 -1.81 0.00 0.00 61.98 59.33 3i04 s VAL 313 Cb -0.25 -1.06 -0.04 0.00 0.56 0.00 0.00 36.38 35.58 3i04 s VAL 313 CO 0.29 -0.76 -0.19 -0.83 -0.31 0.00 0.00 175.10 173.31 3i04 s GLY 314 N -2.34 1.54 0.01 2.32 0.00 -0.14 -0.27 107.32 108.43 3i04 s GLY 314 Ca -0.01 -1.61 0.01 0.00 0.00 0.00 0.00 44.72 43.11 3i04 s GLY 314 CO -0.05 -1.67 -0.04 -0.42 0.00 0.00 0.00 173.10 170.91 3i04 s ILE 315 N -2.22 0.32 0.00 0.90 1.01 -0.30 -1.33 121.20 119.58 3i04 s ILE 315 Ca 0.20 -0.37 0.00 0.00 0.00 0.00 0.00 60.65 60.48 3i04 s ILE 315 Cb -0.05 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.11 3i04 s ILE 315 CO 0.09 -0.04 0.00 0.00 0.00 0.00 0.00 174.94 174.98 3i04 h THR 318 N 0.83 1.25 -0.46 0.00 1.03 -1.15 0.16 112.91 114.58 3i04 h THR 318 Ca 0.15 -1.16 -0.01 0.00 -0.01 0.00 0.00 66.41 65.39 3i04 h THR 318 Cb 0.51 1.27 -0.02 0.00 -1.07 0.00 0.00 68.15 68.83 3i04 h THR 318 CO 0.03 0.37 0.26 1.23 -0.01 0.00 0.00 175.52 177.40 3i04 h GLY 319 N 0.98 0.67 0.63 2.99 0.00 -1.05 -2.26 103.07 105.02 3i04 h GLY 319 Ca 0.07 -0.29 0.09 0.00 0.00 0.00 0.00 47.33 47.20 3i04 h GLY 319 CO 0.04 0.28 0.62 3.43 0.00 0.00 0.00 176.54 180.91 3i04 h ASN 320 N 0.60 0.95 0.11 0.19 2.35 -0.58 -0.98 115.58 118.22 3i04 h ASN 320 Ca 0.16 0.03 0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3i04 h ASN 320 Cb 0.02 -0.17 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 3i04 h ASN 320 CO -0.03 0.57 -0.15 -0.33 -1.65 0.00 0.00 177.43 175.84 3i04 h GLU 321 N 1.06 -0.29 0.00 0.81 4.39 -0.20 -0.73 114.58 119.62 3i04 h GLU 321 Ca 0.44 0.02 -0.03 0.00 0.34 0.00 0.00 59.36 60.14 3i04 h GLU 321 Cb 0.29 0.07 -0.00 0.00 -0.10 0.00 0.00 28.75 29.00 3i04 h GLU 321 CO -0.21 -0.19 -0.14 -0.39 -1.16 0.00 0.00 179.01 176.92 3i04 h VAL 322 N -0.30 0.21 0.17 3.13 -1.51 -1.34 -2.29 116.25 114.31 3i04 h VAL 322 Ca 0.01 -1.30 -0.01 0.00 -1.23 0.00 0.00 66.70 64.18 3i04 h VAL 322 Cb 0.31 2.10 0.00 0.00 -2.13 0.00 0.00 31.29 31.57 3i04 h VAL 322 CO -0.06 0.12 -0.08 0.25 -1.23 0.00 0.00 177.57 176.57 3i04 h LEU 323 N 0.00 -0.19 -1.41 4.19 5.85 -1.08 0.18 115.31 122.85 3i04 h LEU 323 Ca -0.00 -0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.55 3i04 h LEU 323 Cb 1.10 0.05 -0.02 0.00 0.37 0.00 0.00 40.66 42.16 3i04 h LEU 323 CO 0.02 0.03 0.13 0.24 -0.34 0.00 0.00 178.44 178.52 3i04 h MET 324 N -0.41 0.53 0.00 1.25 2.86 -0.97 -1.75 114.93 116.45 3i04 h MET 324 Ca -0.02 -0.07 -0.22 0.00 -2.06 0.00 0.00 59.70 57.33 3i04 h MET 324 Cb 0.32 -0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.84 3i04 h MET 324 CO 0.04 0.46 -1.88 0.54 1.06 0.00 0.00 176.91 177.13 3i04 n ARG 325 N -4.37 1.69 0.00 1.72 1.74 -0.88 -4.36 116.66 112.20 3i04 n ARG 325 Ca 0.02 -0.02 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 3i04 n ARG 325 Cb 0.15 -1.34 0.00 0.00 -1.02 0.00 0.00 32.46 30.25 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 -2.44 1.18 -1.01 5.56 1.13 0.52 -5.00 117.38 117.33 3i04 n GLN 326 Ca -0.20 -0.28 -0.00 0.00 -1.94 0.00 0.00 57.00 54.58 3i04 n GLN 326 Cb 0.87 -0.76 -0.00 0.00 0.11 0.00 0.00 30.24 30.46 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 0.25 0.46 3.70 1.08 0.00 -0.61 -4.93 105.19 105.13 3i04 n GLY 327 Ca 0.00 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.91 3.17 0.71 -0.61 -1.09 -0.92 -4.73 121.20 115.81 3i04 s ILE 328 Ca 0.00 0.68 -0.14 0.00 -2.23 0.00 0.00 60.65 58.96 3i04 s ILE 328 Cb 0.00 -3.44 0.03 0.00 -1.58 0.00 0.00 42.46 37.47 3i04 s ILE 328 CO 0.00 0.01 1.12 -2.16 -1.23 0.00 0.00 174.94 172.68 3i04 s PRO 329 N 2.19 2.49 -0.21 2.79 0.04 -1.26 -3.75 135.00 137.28 3i04 s PRO 329 Ca 0.70 1.41 -0.09 0.00 0.04 0.00 0.00 61.00 63.05 3i04 s PRO 329 Cb -0.38 -1.91 -0.05 0.00 0.04 0.00 0.00 34.50 32.20 3i04 s PRO 329 CO 0.30 -1.49 0.12 -0.51 0.04 0.00 0.00 177.00 175.46 3i04 s LEU 330 N -5.22 4.00 -0.01 -3.56 1.43 -0.70 -0.97 118.68 113.65 3i04 s LEU 330 Ca 0.67 0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 53.76 3i04 s LEU 330 Cb -0.21 -2.05 -0.32 0.00 0.03 0.00 0.00 46.19 43.64 3i04 s LEU 330 CO 0.46 0.12 0.83 1.62 0.23 0.00 0.00 176.35 179.61 3i04 h VAL 331 N 4.93 1.11 -2.02 -1.59 3.04 -1.45 0.35 116.25 120.62 3i04 h VAL 331 Ca -0.38 -2.64 0.11 0.00 -1.01 0.00 0.00 66.70 62.78 3i04 h VAL 331 Cb 1.16 2.87 -0.02 0.00 -2.01 0.00 0.00 31.29 33.30 3i04 h VAL 331 CO 0.69 0.84 0.37 1.07 -1.01 0.00 0.00 177.57 179.52 3i04 n THR 332 N -3.62 0.00 -4.47 3.17 5.66 -1.25 -2.27 114.28 111.51 3i04 n THR 332 Ca -0.20 -0.26 -0.22 0.00 -3.05 0.00 0.00 64.05 60.32 3i04 n THR 332 Cb 1.08 0.40 -0.05 0.00 -1.55 0.00 0.00 70.33 70.21 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 -0.90 1.98 -0.25 1.09 3.41 -1.26 -3.99 113.62 113.70 3i04 n SER 333 Ca -0.00 -2.68 -0.07 0.00 -0.26 0.00 0.00 58.87 55.86 3i04 n SER 333 Cb 0.32 0.57 -0.06 0.00 -0.26 0.00 0.00 64.21 64.78 3i04 n SER 333 CO 0.00 0.00 0.00 0.33 -0.16 0.00 0.00 175.04 175.21 3i04 n PHE 334 N -0.82 -0.26 0.29 7.33 7.35 -1.26 -2.47 117.46 127.62 3i04 n PHE 334 Ca -0.09 0.74 0.19 0.00 -0.76 0.00 0.00 57.45 57.53 3i04 n PHE 334 Cb 0.48 -0.55 0.81 0.00 0.35 0.00 0.00 39.48 40.58 3i04 n PHE 334 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 3i04 h ALA 335 N -0.10 1.00 -0.33 3.13 0.00 -1.98 -2.75 119.26 118.23 3i04 h ALA 335 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3i04 h ALA 335 Cb 0.24 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.03 3i04 h ALA 335 CO -0.56 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.56 3i04 n SER 336 N -3.08 3.40 0.00 0.00 3.41 -1.03 -4.67 113.62 111.65 3i04 n SER 336 Ca -0.00 -2.42 0.10 0.00 -0.26 0.00 0.00 58.87 56.29 3i04 n SER 336 Cb 0.25 -0.37 0.51 0.00 -0.26 0.00 0.00 64.21 64.34 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 2.06 0.35 -0.08 4.33 3.07 -1.40 -0.15 115.11 123.29 3i04 h GLN 337 Ca 0.00 -0.02 -0.14 0.00 0.09 0.00 0.00 58.65 58.58 3i04 h GLN 337 Cb 1.05 -0.08 -0.01 0.00 0.08 0.00 0.00 27.48 28.52 3i04 h GLN 337 CO 0.10 0.23 -0.55 0.93 0.09 0.00 0.00 178.83 179.63 3i04 h GLU 338 N 0.36 0.25 0.00 0.06 5.08 -1.85 -3.19 114.58 115.29 3i04 h GLU 338 Ca 0.19 -0.16 -0.07 0.00 -1.00 0.00 0.00 59.36 58.33 3i04 h GLU 338 Cb 0.31 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.57 3i04 h GLU 338 CO -0.05 0.73 -0.32 -0.07 -1.00 0.00 0.00 179.01 178.31 3i04 h LEU 339 N 0.19 0.00 -0.98 1.33 -0.00 -1.37 -0.47 115.31 114.01 3i04 h LEU 339 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 3i04 h LEU 339 Cb 1.03 0.00 -0.07 0.00 -0.00 0.00 0.00 40.66 41.62 3i04 h LEU 339 CO 0.09 0.32 0.63 0.00 -0.00 0.00 0.00 178.44 179.48 3i04 h ALA 340 N 1.68 1.36 -0.28 1.53 0.00 -1.50 -2.43 119.26 119.62 3i04 h ALA 340 Ca -0.00 -0.02 -0.15 0.00 0.00 0.00 0.00 54.91 54.74 3i04 h ALA 340 Cb 0.70 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 3i04 h ALA 340 CO 0.04 0.41 -0.42 0.82 0.00 0.00 0.00 179.25 180.11 3i04 h ILE 341 N 1.14 1.29 0.00 0.00 2.04 -1.21 -2.58 117.51 118.19 3i04 h ILE 341 Ca 0.42 -1.60 0.00 0.00 1.00 0.00 0.00 64.86 64.68 3i04 h ILE 341 Cb 0.17 1.53 0.00 0.00 -0.74 0.00 0.00 36.82 37.78 3i04 h ILE 341 CO -0.17 0.51 0.00 0.00 0.00 0.00 0.00 178.15 178.49 3i04 h THR 343 N 0.00 0.05 0.00 0.00 1.35 -1.41 -3.45 112.91 109.45 3i04 h THR 343 Ca 0.00 -0.68 0.00 0.00 -0.55 0.00 0.00 66.41 65.18 3i04 h THR 343 Cb 0.03 1.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.09 3i04 h THR 343 CO 0.00 0.02 0.00 0.61 -0.25 0.00 0.00 175.52 175.90 3i04 n GLY 344 N 0.29 1.07 0.97 5.82 0.00 -0.17 -1.20 105.19 111.98 3i04 n GLY 344 Ca 0.01 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.14 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 0.91 2.41 -2.61 4.61 0.00 -1.26 -4.82 120.51 119.75 3i04 n ALA 345 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 53.44 52.12 3i04 n ALA 345 Cb 0.00 -0.74 -0.04 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.45 4.65 -0.06 0.00 -1.09 -1.26 -4.31 121.20 117.67 3i04 s ILE 346 Ca 0.31 1.30 -0.20 0.00 -2.23 0.00 0.00 60.65 59.83 3i04 s ILE 346 Cb 0.19 -4.28 -0.31 0.00 -1.58 0.00 0.00 42.46 36.48 3i04 s ILE 346 CO 0.27 -0.42 0.82 0.44 -1.23 0.00 0.00 174.94 174.82 3i04 h ASP 347 N 8.26 0.47 -4.29 3.58 3.32 -1.24 -3.34 116.42 123.19 3i04 h ASP 347 Ca -0.23 -0.93 -0.18 0.00 0.02 0.00 0.00 57.03 55.71 3i04 h ASP 347 Cb 1.08 -0.15 -0.24 0.00 0.22 0.00 0.00 39.33 40.23 3i04 h ASP 347 CO 0.96 1.47 -0.58 0.00 -1.72 0.00 0.00 179.24 179.37 3i04 s ALA 348 N -2.45 -0.23 -0.30 3.45 0.00 -1.06 -1.94 121.76 119.22 3i04 s ALA 348 Ca -0.15 0.06 -0.02 0.00 0.00 0.00 0.00 51.96 51.85 3i04 s ALA 348 Cb 0.02 -0.05 0.05 0.00 0.00 0.00 0.00 23.12 23.14 3i04 s ALA 348 CO 0.82 -0.11 0.01 1.41 0.00 0.00 0.00 175.76 177.89 3i04 s MET 349 N -0.57 2.45 -0.29 0.00 1.75 -0.34 0.11 119.30 122.42 3i04 s MET 349 Ca -0.06 -1.25 -0.12 0.00 -1.25 0.00 0.00 55.69 53.00 3i04 s MET 349 Cb -0.04 -3.21 -0.04 0.00 2.84 0.00 0.00 34.83 34.38 3i04 s MET 349 CO 0.00 -0.62 0.23 0.00 -0.65 0.00 0.00 175.02 173.98 3i04 s VAL 351 N 1.80 2.27 0.00 0.00 -7.23 0.43 -2.41 120.40 115.27 3i04 s VAL 351 Ca 0.08 -1.97 0.00 0.00 -1.81 0.00 0.00 61.98 58.28 3i04 s VAL 351 Cb -0.16 -2.07 0.00 0.00 0.56 0.00 0.00 36.38 34.71 3i04 s VAL 351 CO 0.11 -0.10 0.00 -0.90 -0.31 0.00 0.00 175.10 173.89 3i04 n ASP 352 N 0.38 0.00 -3.94 4.85 5.68 -1.13 -2.80 116.55 119.58 3i04 n ASP 352 Ca -0.14 0.00 -0.13 0.00 -0.50 0.00 0.00 54.79 54.03 3i04 n ASP 352 Cb 0.56 0.00 -0.13 0.00 -1.14 0.00 0.00 41.12 40.40 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 0.22 0.00 2.12 -7.23 -1.26 -4.45 120.40 109.80 3i04 s VAL 353 Ca 0.00 -0.37 0.00 0.00 -1.81 0.00 0.00 61.98 59.80 3i04 s VAL 353 Cb 0.00 -0.24 0.00 0.00 0.56 0.00 0.00 36.38 36.70 3i04 s VAL 353 CO 0.00 -0.10 0.00 0.00 -0.31 0.00 0.00 175.10 174.69 3i04 n GLN 354 N 2.57 0.00 -2.11 4.82 6.02 -1.26 -3.13 117.38 124.29 3i04 n GLN 354 Ca -0.16 0.00 -0.20 0.00 -0.01 0.00 0.00 57.00 56.63 3i04 n GLN 354 Cb 0.58 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.80 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 -2.90 5.12 -0.24 0.00 1.01 -1.26 -4.93 121.20 118.00 3i04 s ILE 356 Ca 0.00 -0.58 -0.29 0.00 0.00 0.00 0.00 60.65 59.78 3i04 s ILE 356 Cb 0.00 -3.79 -0.03 0.00 0.01 0.00 0.00 42.46 38.65 3i04 s ILE 356 CO 0.00 -0.21 1.80 -0.04 0.00 0.00 0.00 174.94 176.49 3i04 s MET 357 N 1.67 3.56 0.00 2.79 -1.94 -1.26 -4.85 119.30 119.26 3i04 s MET 357 Ca 0.05 1.70 0.18 0.00 -1.71 0.00 0.00 55.69 55.91 3i04 s MET 357 Cb -0.19 -4.15 0.77 0.00 2.01 0.00 0.00 34.83 33.27 3i04 s MET 357 CO 0.09 -1.59 1.57 -0.35 -0.01 0.00 0.00 175.02 174.73 3i04 n PRO 358 N 8.10 0.01 0.08 2.03 -0.04 -1.26 -1.80 135.00 142.12 3i04 n PRO 358 Ca 0.22 0.19 0.07 0.00 -0.04 0.00 0.00 63.50 63.94 3i04 n PRO 358 Cb 0.45 -1.50 0.33 0.00 -0.04 0.00 0.00 33.50 32.74 3i04 n PRO 358 CO 0.00 0.00 0.00 -1.13 -0.04 0.00 0.00 175.50 174.33 3i04 n SER 359 N -1.50 0.31 -0.12 3.54 3.41 -1.26 -2.47 113.62 115.53 3i04 n SER 359 Ca 0.04 0.63 0.15 0.00 -0.26 0.00 0.00 58.87 59.44 3i04 n SER 359 Cb 0.21 -0.68 0.53 0.00 -0.26 0.00 0.00 64.21 64.01 3i04 n SER 359 CO 0.00 0.00 0.00 0.16 -0.16 0.00 0.00 175.04 175.04 3i04 h ILE 360 N 0.00 0.81 -0.73 -1.33 3.07 -1.75 0.02 117.51 117.60 3i04 h ILE 360 Ca 0.00 -0.12 -0.03 0.00 1.55 0.00 0.00 64.86 66.26 3i04 h ILE 360 Cb 0.05 0.42 -0.03 0.00 -0.27 0.00 0.00 36.82 36.99 3i04 h ILE 360 CO 0.00 0.07 0.35 0.77 -1.05 0.00 0.00 178.15 178.29 3i04 h SER 361 N 0.36 0.96 0.18 2.16 4.64 -1.76 0.40 113.55 120.49 3i04 h SER 361 Ca 0.33 -0.13 -0.21 0.00 -0.47 0.00 0.00 61.79 61.31 3i04 h SER 361 Cb 0.80 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.65 3i04 h SER 361 CO -0.09 0.83 -0.83 0.00 -0.87 0.00 0.00 176.83 175.86 3i04 h ALA 362 N 1.17 0.43 -0.20 5.18 0.00 -1.44 -2.75 119.26 121.65 3i04 h ALA 362 Ca 0.25 -0.64 -0.03 0.00 0.00 0.00 0.00 54.91 54.49 3i04 h ALA 362 Cb 0.12 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.87 3i04 h ALA 362 CO -0.03 0.76 0.01 0.28 0.00 0.00 0.00 179.25 180.26 3i04 h VAL 363 N 0.33 1.25 0.00 0.00 2.07 -0.95 -3.20 116.25 115.74 3i04 h VAL 363 Ca -0.06 -0.85 -0.02 0.00 0.82 0.00 0.00 66.70 66.59 3i04 h VAL 363 Cb 1.44 1.41 -0.00 0.00 -1.52 0.00 0.00 31.29 32.62 3i04 h VAL 363 CO 0.15 0.26 -0.12 0.00 0.02 0.00 0.00 177.57 177.88 3i04 h ALA 364 N 0.80 1.60 0.00 1.67 0.00 -0.93 -0.63 119.26 121.77 3i04 h ALA 364 Ca 0.06 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 364 Cb 0.38 -0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3i04 h ALA 364 CO 0.01 0.15 -0.02 1.49 0.00 0.00 0.00 179.25 180.88 3i04 h GLU 365 N 0.00 0.00 -0.00 0.00 4.81 -1.48 -0.69 114.58 117.21 3i04 h GLU 365 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 3i04 h GLU 365 Cb 0.24 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.62 3i04 h GLU 365 CO 0.02 0.02 -0.13 0.00 -0.73 0.00 0.00 179.01 178.19 3i04 n TYR 367 N -1.18 0.00 0.37 0.00 4.02 -0.27 -5.06 117.16 115.05 3i04 n TYR 367 Ca 0.12 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.11 3i04 n TYR 367 Cb 0.29 0.00 0.16 0.00 -0.02 0.00 0.00 39.34 39.77 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 0.00 0.34 -1.90 -0.72 8.25 -1.26 -5.01 115.22 114.93 3i04 n HIS 368 Ca 0.00 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.84 3i04 n HIS 368 Cb 0.00 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 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 -1.41 2.48 -0.18 1.59 2.01 -1.25 -4.88 115.64 114.02 3i04 s THR 369 Ca 0.31 0.36 -0.22 0.00 0.31 0.00 0.00 61.69 62.45 3i04 s THR 369 Cb 0.19 -3.23 -0.02 0.00 0.01 0.00 0.00 72.50 69.44 3i04 s THR 369 CO 0.27 0.04 0.68 -0.13 -0.69 0.00 0.00 174.62 174.78 3i04 s ARG 370 N 0.73 4.26 -0.16 4.92 1.81 -0.82 -4.75 118.95 124.94 3i04 s ARG 370 Ca 0.68 0.73 -0.15 0.00 -1.72 0.00 0.00 55.73 55.28 3i04 s ARG 370 Cb -0.45 -3.56 -0.05 0.00 -0.45 0.00 0.00 34.95 30.45 3i04 s ARG 370 CO 0.35 -0.22 0.32 0.42 -0.68 0.00 0.00 175.30 175.49 3i04 s ILE 371 N 1.83 5.29 -0.22 1.52 -1.09 -1.26 -1.20 121.20 126.07 3i04 s ILE 371 Ca 0.32 0.61 0.01 0.00 -2.23 0.00 0.00 60.65 59.36 3i04 s ILE 371 Cb -0.16 -3.66 0.05 0.00 -1.58 0.00 0.00 42.46 37.11 3i04 s ILE 371 CO 0.12 0.38 -0.08 -0.63 -1.23 0.00 0.00 174.94 173.49 3i04 s ILE 372 N 0.51 1.60 0.34 2.92 1.01 -0.46 -1.88 121.20 125.23 3i04 s ILE 372 Ca 0.18 -1.14 -0.07 0.00 0.00 0.00 0.00 60.65 59.63 3i04 s ILE 372 Cb -0.13 -1.77 -0.06 0.00 0.01 0.00 0.00 42.46 40.51 3i04 s ILE 372 CO 0.05 0.02 0.64 0.42 0.00 0.00 0.00 174.94 176.07 3i04 s THR 373 N 1.39 4.94 0.00 2.92 -4.23 0.36 -0.42 115.64 120.59 3i04 s THR 373 Ca -0.04 0.26 0.00 0.00 -1.18 0.00 0.00 61.69 60.73 3i04 s THR 373 Cb -0.18 -3.74 0.00 0.00 1.34 0.00 0.00 72.50 69.93 3i04 s THR 373 CO -0.07 -0.41 0.00 0.35 -0.54 0.00 0.00 174.62 173.95 3i04 n THR 374 N -1.11 0.00 -4.52 3.99 -2.24 -1.12 -0.41 114.28 108.86 3i04 n THR 374 Ca -0.00 -0.06 -0.34 0.00 -2.27 0.00 0.00 64.05 61.38 3i04 n THR 374 Cb 0.54 0.77 -0.11 0.00 -2.10 0.00 0.00 70.33 69.44 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 -0.20 3.07 -0.61 6.98 0.00 -1.26 -2.14 121.76 127.60 3i04 s ALA 375 Ca 0.00 -0.90 0.24 0.00 0.00 0.00 0.00 51.96 51.30 3i04 s ALA 375 Cb 0.00 -1.27 0.92 0.00 0.00 0.00 0.00 23.12 22.77 3i04 s ALA 375 CO 0.00 0.59 1.71 -0.40 0.00 0.00 0.00 175.76 177.66 3i04 n ASP 376 N 2.03 0.62 -0.77 0.00 5.68 -1.26 -2.61 116.55 120.24 3i04 n ASP 376 Ca -0.17 0.62 0.07 0.00 -0.50 0.00 0.00 54.79 54.81 3i04 n ASP 376 Cb 0.53 -0.76 0.18 0.00 -1.14 0.00 0.00 41.12 39.93 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 -2.15 3.13 -3.39 -1.12 0.23 -1.26 -4.81 115.26 105.88 3i04 n ASN 377 Ca 0.03 -2.02 -0.18 0.00 -0.53 0.00 0.00 54.58 51.88 3i04 n ASN 377 Cb 0.27 -0.28 -0.09 0.00 -2.08 0.00 0.00 39.78 37.60 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 -1.03 -0.29 0.18 -2.53 0.00 -1.07 -5.06 121.76 111.96 3i04 s ALA 378 Ca 0.28 -0.80 0.11 0.00 0.00 0.00 0.00 51.96 51.55 3i04 s ALA 378 Cb 0.15 -1.89 -0.04 0.00 0.00 0.00 0.00 23.12 21.33 3i04 s ALA 378 CO 0.19 -1.95 -0.21 0.15 0.00 0.00 0.00 175.76 173.93 3i04 s LYS 379 N 1.79 1.63 -0.17 0.00 1.02 -1.26 -4.37 119.74 118.37 3i04 s LYS 379 Ca 0.14 -1.43 -0.03 0.00 0.02 0.00 0.00 55.97 54.68 3i04 s LYS 379 Cb -0.15 -1.93 0.05 0.00 -0.52 0.00 0.00 37.83 35.28 3i04 s LYS 379 CO -0.16 0.42 0.03 0.42 -0.92 0.00 0.00 175.35 175.14 3i04 s ILE 380 N -1.55 0.49 0.36 2.17 1.01 -1.26 -5.11 121.20 117.31 3i04 s ILE 380 Ca 0.20 -0.44 -0.26 0.00 0.00 0.00 0.00 60.65 60.15 3i04 s ILE 380 Cb -0.09 -0.94 -0.12 0.00 0.01 0.00 0.00 42.46 41.32 3i04 s ILE 380 CO 0.10 -0.13 1.09 -2.65 0.00 0.00 0.00 174.94 173.35 3i04 n PRO 381 N 5.07 1.58 0.00 2.79 -0.02 -1.26 -1.83 135.00 141.33 3i04 n PRO 381 Ca -0.09 0.56 0.00 0.00 -2.02 0.00 0.00 63.50 61.95 3i04 n PRO 381 Cb 0.48 -2.07 0.00 0.00 -0.02 0.00 0.00 33.50 31.88 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 3.14 3.79 -1.23 0.00 -1.26 -4.90 105.19 105.80 3i04 n GLY 382 Ca 0.08 0.00 -0.33 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 -2.36 3.60 0.38 4.61 0.00 -0.76 -4.93 121.76 122.30 3i04 s ALA 383 Ca 0.00 -0.87 -0.28 0.00 0.00 0.00 0.00 51.96 50.81 3i04 s ALA 383 Cb 0.00 -1.59 -0.11 0.00 0.00 0.00 0.00 23.12 21.42 3i04 s ALA 383 CO 0.00 0.70 1.41 0.66 0.00 0.00 0.00 175.76 178.53 3i04 n TYR 384 N 1.14 2.71 -4.80 0.00 4.01 -0.79 -4.83 117.16 114.60 3i04 n TYR 384 Ca -0.13 0.48 -0.33 0.00 -0.16 0.00 0.00 57.90 57.77 3i04 n TYR 384 Cb 0.53 -2.48 -0.16 0.00 -0.31 0.00 0.00 39.34 36.92 3i04 n TYR 384 CO 0.00 0.00 0.00 -1.58 -0.46 0.00 0.00 176.86 174.82 3i04 s HIS 385 N -1.12 2.71 -0.18 -0.72 2.46 -1.26 -0.49 115.29 116.68 3i04 s HIS 385 Ca 0.55 -1.00 -0.04 0.00 0.47 0.00 0.00 55.06 55.04 3i04 s HIS 385 Cb -0.50 -1.82 -0.02 0.00 -0.13 0.00 0.00 32.58 30.11 3i04 s HIS 385 CO 0.62 -0.42 -0.04 0.42 -2.47 0.00 0.00 174.74 172.85 3i04 s ILE 386 N 0.58 3.61 -1.18 0.89 1.01 0.45 -4.97 121.20 121.59 3i04 s ILE 386 Ca -0.11 -0.44 -0.21 0.00 0.00 0.00 0.00 60.65 59.90 3i04 s ILE 386 Cb -0.16 -2.61 0.02 0.00 0.01 0.00 0.00 42.46 39.72 3i04 s ILE 386 CO 0.03 0.46 1.73 -0.62 0.00 0.00 0.00 174.94 176.54 3i04 s ASP 387 N 0.90 6.26 -0.09 3.58 2.15 -1.26 -3.92 116.67 124.28 3i04 s ASP 387 Ca -0.00 -1.93 -0.30 0.00 0.43 0.00 0.00 52.55 50.75 3i04 s ASP 387 Cb -0.15 -2.58 -0.04 0.00 -0.30 0.00 0.00 42.92 39.86 3i04 s ASP 387 CO 0.01 -1.76 1.44 -0.47 -0.17 0.00 0.00 175.17 174.22 3i04 s TYR 388 N 6.24 2.50 0.07 -5.34 5.04 -0.91 -5.02 117.35 119.93 3i04 s TYR 388 Ca 0.56 0.65 0.08 0.00 -2.44 0.00 0.00 57.07 55.92 3i04 s TYR 388 Cb 0.01 -3.69 -0.03 0.00 0.35 0.00 0.00 41.96 38.60 3i04 s TYR 388 CO 0.04 -2.68 -0.20 -0.65 -1.34 0.00 0.00 175.55 170.72 3i04 s GLN 389 N 3.54 1.26 0.41 4.97 -0.21 -1.26 -4.92 119.66 123.45 3i04 s GLN 389 Ca 0.64 -1.02 0.10 0.00 0.02 0.00 0.00 55.36 55.10 3i04 s GLN 389 Cb -0.28 -1.43 0.85 0.00 1.00 0.00 0.00 33.01 33.16 3i04 s GLN 389 CO 0.22 0.35 1.96 1.79 -2.12 0.00 0.00 175.29 177.50 3i04 h THR 390 N 4.25 1.15 -0.19 -0.19 1.35 -1.95 -1.79 112.91 115.55 3i04 h THR 390 Ca -0.44 -0.61 -0.02 0.00 -0.55 0.00 0.00 66.41 64.79 3i04 h THR 390 Cb 1.17 1.10 -0.01 0.00 -1.73 0.00 0.00 68.15 68.68 3i04 h THR 390 CO 0.42 0.20 0.03 0.00 -0.25 0.00 0.00 175.52 175.91 3i04 h ALA 391 N 1.70 1.70 -0.28 6.62 0.00 -1.95 -3.14 119.26 123.91 3i04 h ALA 391 Ca 0.05 -0.10 -0.23 0.00 0.00 0.00 0.00 54.91 54.64 3i04 h ALA 391 Cb 0.27 -0.09 -0.23 0.00 0.00 0.00 0.00 17.79 17.75 3i04 h ALA 391 CO 0.01 0.23 -0.74 0.25 0.00 0.00 0.00 179.25 179.00 3i04 n THR 392 N -4.41 1.91 -0.08 0.00 -2.24 -0.72 -4.77 114.28 103.97 3i04 n THR 392 Ca -0.00 -3.21 -0.08 0.00 -2.27 0.00 0.00 64.05 58.48 3i04 n THR 392 Cb 0.16 -0.20 -0.01 0.00 -2.10 0.00 0.00 70.33 68.18 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 1.54 0.35 -0.25 6.98 0.00 -1.38 -2.96 119.26 123.54 3i04 h ALA 393 Ca 0.07 0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.04 3i04 h ALA 393 Cb 1.33 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.01 3i04 h ALA 393 CO 0.28 -0.24 -0.09 0.97 0.00 0.00 0.00 179.25 180.17 3i04 h ILE 394 N 0.31 0.69 -0.44 0.00 6.09 -1.89 -0.93 117.51 121.34 3i04 h ILE 394 Ca 0.12 0.00 -0.13 0.00 -1.37 0.00 0.00 64.86 63.48 3i04 h ILE 394 Cb 0.03 0.69 -0.01 0.00 0.47 0.00 0.00 36.82 38.01 3i04 h ILE 394 CO -0.08 0.00 -0.25 1.05 -3.07 0.00 0.00 178.15 175.80 3i04 h GLU 395 N -0.04 0.94 -0.98 2.19 4.11 -1.95 -1.03 114.58 117.83 3i04 h GLU 395 Ca 0.13 -0.43 0.06 0.00 0.07 0.00 0.00 59.36 59.19 3i04 h GLU 395 Cb 0.23 -0.02 -0.06 0.00 0.50 0.00 0.00 28.75 29.40 3i04 h GLU 395 CO -0.28 1.09 0.64 0.77 0.07 0.00 0.00 179.01 181.29 3i04 h SER 396 N 0.77 1.03 -0.28 3.06 0.02 -1.42 -0.49 113.55 116.25 3i04 h SER 396 Ca 0.09 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.03 3i04 h SER 396 Cb 0.82 -0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.14 3i04 h SER 396 CO 0.07 0.67 0.09 0.00 -1.14 0.00 0.00 176.83 176.52 3i04 h ALA 397 N 1.46 0.36 -0.31 3.77 0.00 -0.69 -0.89 119.26 122.97 3i04 h ALA 397 Ca 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 54.91 55.17 3i04 h ALA 397 Cb 0.13 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 397 CO -0.15 -0.01 0.15 0.87 0.00 0.00 0.00 179.25 180.11 3i04 h LYS 398 N 0.29 0.44 -0.69 0.00 1.57 -1.08 -1.55 116.57 115.55 3i04 h LYS 398 Ca 0.09 -0.06 0.15 0.00 -1.87 0.00 0.00 60.65 58.95 3i04 h LYS 398 Cb 0.23 -0.08 -0.12 0.00 0.08 0.00 0.00 32.23 32.34 3i04 h LYS 398 CO -0.00 0.41 -0.06 1.15 -0.57 0.00 0.00 179.45 180.38 3i04 h THR 399 N 0.36 0.37 -0.57 -0.16 2.02 -0.98 0.91 112.91 114.87 3i04 h THR 399 Ca 0.11 -0.02 -0.06 0.00 0.77 0.00 0.00 66.41 67.20 3i04 h THR 399 Cb 0.11 0.30 -0.02 0.00 -1.74 0.00 0.00 68.15 66.80 3i04 h THR 399 CO -0.01 0.01 0.12 0.00 0.37 0.00 0.00 175.52 176.01 3i04 h ALA 400 N 1.66 0.75 -0.25 6.16 0.00 -0.68 -1.54 119.26 125.36 3i04 h ALA 400 Ca 0.36 -0.23 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 400 Cb 0.59 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.15 3i04 h ALA 400 CO -0.64 0.47 -0.06 0.82 0.00 0.00 0.00 179.25 179.84 3i04 h ILE 401 N 0.82 1.18 -0.38 0.00 2.04 -0.99 -2.15 117.51 118.04 3i04 h ILE 401 Ca 0.18 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.22 3i04 h ILE 401 Cb 0.37 1.06 -0.01 0.00 -0.74 0.00 0.00 36.82 37.50 3i04 h ILE 401 CO 0.01 0.25 0.04 0.03 0.00 0.00 0.00 178.15 178.47 3i04 h ARG 402 N 0.37 0.64 -0.57 2.37 3.08 -0.04 -0.60 114.38 119.63 3i04 h ARG 402 Ca 0.08 -0.19 0.11 0.00 0.07 0.00 0.00 59.98 60.05 3i04 h ARG 402 Cb 0.34 -0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.24 3i04 h ARG 402 CO 0.02 0.72 0.09 0.52 -1.07 0.00 0.00 179.97 180.24 3i04 h MET 403 N 0.47 0.21 -0.47 0.04 2.86 -1.05 -2.03 114.93 114.96 3i04 h MET 403 Ca 0.11 -0.01 0.02 0.00 -2.06 0.00 0.00 59.70 57.76 3i04 h MET 403 Cb 0.41 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3i04 h MET 403 CO 0.01 0.14 0.28 0.00 1.06 0.00 0.00 176.91 178.40 3i04 h ALA 404 N 1.47 0.60 -0.41 6.32 0.00 -0.83 -1.51 119.26 124.91 3i04 h ALA 404 Ca 0.30 -0.01 0.07 0.00 0.00 0.00 0.00 54.91 55.26 3i04 h ALA 404 Cb 0.44 -0.14 -0.06 0.00 0.00 0.00 0.00 17.79 18.03 3i04 h ALA 404 CO -0.40 -0.03 0.07 0.82 0.00 0.00 0.00 179.25 179.71 3i04 h ILE 405 N 0.57 0.77 -0.80 0.00 2.04 -0.88 0.39 117.51 119.60 3i04 h ILE 405 Ca 0.19 -0.06 -0.02 0.00 1.00 0.00 0.00 64.86 65.96 3i04 h ILE 405 Cb 0.01 0.56 -0.04 0.00 -0.74 0.00 0.00 36.82 36.62 3i04 h ILE 405 CO -0.09 0.03 0.42 -0.33 0.00 0.00 0.00 178.15 178.19 3i04 h GLU 406 N 0.19 1.12 -0.22 2.37 4.39 -1.24 -1.94 114.58 119.26 3i04 h GLU 406 Ca 0.20 -0.14 -0.08 0.00 0.34 0.00 0.00 59.36 59.67 3i04 h GLU 406 Cb 0.25 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.67 3i04 h GLU 406 CO -0.27 0.84 -0.23 0.00 -1.16 0.00 0.00 179.01 178.18 3i04 h ALA 407 N 1.33 1.20 0.05 3.43 0.00 -0.56 -2.31 119.26 122.40 3i04 h ALA 407 Ca 0.28 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.87 3i04 h ALA 407 Cb 0.06 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 17.74 3i04 h ALA 407 CO -0.04 0.52 -0.02 0.35 0.00 0.00 0.00 179.25 180.05 3i04 h PHE 408 N 0.36 -0.06 -0.19 0.00 3.57 -0.25 -1.72 116.94 118.65 3i04 h PHE 408 Ca 0.06 -0.00 0.04 0.00 3.53 0.00 0.00 57.97 61.60 3i04 h PHE 408 Cb 0.61 0.02 -0.04 0.00 2.79 0.00 0.00 35.95 39.32 3i04 h PHE 408 CO 0.02 0.01 -0.09 0.87 -2.23 0.00 0.00 178.31 176.89 3i04 h LYS 409 N -0.12 -0.07 -0.97 1.11 1.57 -1.27 0.17 116.57 116.99 3i04 h LYS 409 Ca -0.01 0.00 0.13 0.00 -1.87 0.00 0.00 60.65 58.91 3i04 h LYS 409 Cb 0.11 0.02 -0.08 0.00 0.08 0.00 0.00 32.23 32.35 3i04 h LYS 409 CO 0.01 -0.05 0.61 0.93 -0.57 0.00 0.00 179.45 180.39 3i04 h GLU 410 N -0.07 0.84 0.03 3.15 5.08 -1.32 0.07 114.58 122.36 3i04 h GLU 410 Ca 0.11 -0.05 -0.22 0.00 -1.00 0.00 0.00 59.36 58.20 3i04 h GLU 410 Cb 0.23 -0.19 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 3i04 h GLU 410 CO -0.24 0.56 -0.96 0.07 -1.00 0.00 0.00 179.01 177.44 3i04 h ARG 411 N 0.87 0.22 -0.35 2.33 0.11 -0.57 -2.44 114.38 114.56 3i04 h ARG 411 Ca 0.49 -0.28 -0.11 0.00 0.10 0.00 0.00 59.98 60.18 3i04 h ARG 411 Cb 0.61 0.09 -0.01 0.00 1.11 0.00 0.00 29.97 31.77 3i04 h ARG 411 CO -0.26 1.03 -0.23 0.87 0.10 0.00 0.00 179.97 181.48 3i04 h LYS 412 N 0.11 0.77 0.00 0.08 1.79 -0.18 -2.96 116.57 116.19 3i04 h LYS 412 Ca -0.06 -0.36 -0.10 0.00 -2.18 0.00 0.00 60.65 57.94 3i04 h LYS 412 Cb 1.62 -0.01 -0.01 0.00 -1.58 0.00 0.00 32.23 32.25 3i04 h LYS 412 CO 0.15 0.98 -0.49 1.49 -1.08 0.00 0.00 179.45 180.50 3i04 h GLU 413 N 0.55 0.00 0.00 3.15 4.22 -1.03 -2.65 114.58 118.81 3i04 h GLU 413 Ca 0.07 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.51 3i04 h GLU 413 Cb 0.79 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.04 3i04 h GLU 413 CO 0.06 0.49 -0.10 -1.13 -2.18 0.00 0.00 179.01 176.16 3i04 n SER 414 N -3.91 0.25 -2.48 1.04 3.41 -0.92 -4.93 113.62 106.08 3i04 n SER 414 Ca -0.01 0.39 -0.08 0.00 -0.26 0.00 0.00 58.87 58.91 3i04 n SER 414 Cb 0.51 -0.42 -0.02 0.00 -0.26 0.00 0.00 64.21 64.02 3i04 n SER 414 CO 0.00 0.00 0.00 -0.46 -0.16 0.00 0.00 175.04 174.42 3i04 n ASN 415 N -1.66 -0.13 -4.60 4.04 6.94 -1.00 -4.94 115.26 113.89 3i04 n ASN 415 Ca 0.06 -0.27 -0.35 0.00 -0.02 0.00 0.00 54.58 54.00 3i04 n ASN 415 Cb 0.36 -0.34 0.10 0.00 -2.36 0.00 0.00 39.78 37.53 3i04 n ASN 415 CO 0.00 0.00 0.00 0.54 -1.03 0.00 0.00 177.26 176.77 3i04 n ARG 416 N -1.49 0.35 -1.53 -3.83 1.74 -1.26 -4.94 116.66 105.71 3i04 n ARG 416 Ca -0.02 0.18 -0.32 0.00 -0.77 0.00 0.00 57.85 56.92 3i04 n ARG 416 Cb 0.12 -2.21 0.07 0.00 -1.02 0.00 0.00 32.46 29.42 3i04 n ARG 416 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 3i04 s PRO 417 N -3.48 2.60 -0.04 5.56 0.04 -1.26 -5.03 135.00 133.38 3i04 s PRO 417 Ca 0.71 1.24 0.04 0.00 0.04 0.00 0.00 61.00 63.03 3i04 s PRO 417 Cb -0.32 -1.93 -0.00 0.00 0.04 0.00 0.00 34.50 32.28 3i04 s PRO 417 CO 0.52 -1.39 -0.16 0.08 0.04 0.00 0.00 177.00 176.10 3i04 s VAL 418 N -2.66 1.33 -0.23 -0.36 1.01 -1.26 -4.69 120.40 113.53 3i04 s VAL 418 Ca 0.63 -0.66 -0.01 0.00 0.00 0.00 0.00 61.98 61.94 3i04 s VAL 418 Cb -0.18 -1.14 0.06 0.00 0.00 0.00 0.00 36.38 35.12 3i04 s VAL 418 CO 0.49 0.38 -0.01 -0.47 0.00 0.00 0.00 175.10 175.49 3i04 s TYR 419 N 0.03 1.90 -0.26 5.22 5.04 -0.34 -5.04 117.35 123.90 3i04 s TYR 419 Ca -0.03 -1.47 -0.05 0.00 -2.44 0.00 0.00 57.07 53.08 3i04 s TYR 419 Cb -0.11 -1.43 0.01 0.00 0.35 0.00 0.00 41.96 40.79 3i04 s TYR 419 CO 0.02 -0.73 0.02 0.42 -1.34 0.00 0.00 175.55 173.93 3i04 s ILE 420 N 1.56 3.56 0.33 3.14 1.01 -1.26 -4.43 121.20 125.11 3i04 s ILE 420 Ca -0.03 -0.71 -0.29 0.00 0.00 0.00 0.00 60.65 59.62 3i04 s ILE 420 Cb -0.18 -2.78 -0.11 0.00 0.01 0.00 0.00 42.46 39.41 3i04 s ILE 420 CO -0.08 0.20 1.45 -2.84 0.00 0.00 0.00 174.94 173.67 3i04 s PRO 421 N 1.45 4.20 -1.18 2.79 0.02 -1.26 -4.86 135.00 136.17 3i04 s PRO 421 Ca 0.03 2.44 -0.05 0.00 0.02 0.00 0.00 61.00 63.44 3i04 s PRO 421 Cb -0.16 -3.03 0.23 0.00 0.02 0.00 0.00 34.50 31.55 3i04 s PRO 421 CO -0.01 -0.44 1.94 1.04 -0.33 0.00 0.00 177.00 179.20 3i04 n GLN 422 N 1.18 4.64 -3.76 5.54 1.13 -1.26 -2.23 117.38 122.63 3i04 n GLN 422 Ca 0.03 -4.05 -0.24 0.00 -1.94 0.00 0.00 57.00 50.79 3i04 n GLN 422 Cb 0.40 -2.61 -0.17 0.00 0.11 0.00 0.00 30.24 27.96 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 -2.14 0.40 0.21 5.09 1.01 -1.26 -4.94 121.20 119.56 3i04 s ILE 423 Ca 0.42 -0.06 -0.19 0.00 0.00 0.00 0.00 60.65 60.82 3i04 s ILE 423 Cb 0.14 -0.66 0.04 0.00 0.01 0.00 0.00 42.46 41.99 3i04 s ILE 423 CO -0.04 0.13 0.58 -1.59 0.00 0.00 0.00 174.94 174.02 3i04 s LYS 424 N 1.95 1.45 0.01 2.79 -2.85 -1.26 -0.82 119.74 121.01 3i04 s LYS 424 Ca 0.03 -0.80 -0.02 0.00 -1.00 0.00 0.00 55.97 54.18 3i04 s LYS 424 Cb -0.14 0.56 -0.01 0.00 -2.06 0.00 0.00 37.83 36.18 3i04 s LYS 424 CO -0.06 -0.63 0.02 -0.80 0.10 0.00 0.00 175.35 173.97 3i04 s ASN 425 N -2.86 0.16 0.40 0.03 0.01 -0.12 -4.95 114.94 107.61 3i04 s ASN 425 Ca 0.08 -0.37 -0.25 0.00 -0.71 0.00 0.00 52.86 51.61 3i04 s ASN 425 Cb -0.02 0.12 -0.09 0.00 0.41 0.00 0.00 41.25 41.68 3i04 s ASN 425 CO -0.03 -0.28 1.11 -0.60 -1.51 0.00 0.00 177.10 175.79 3i04 s ARG 426 N -1.27 4.11 -0.04 -0.60 3.52 -1.26 -1.07 118.95 122.33 3i04 s ARG 426 Ca -0.14 1.69 0.03 0.00 -0.13 0.00 0.00 55.73 57.18 3i04 s ARG 426 Cb -0.08 -2.63 0.01 0.00 -1.56 0.00 0.00 34.95 30.69 3i04 s ARG 426 CO -0.00 -0.23 -0.11 0.08 -0.81 0.00 0.00 175.30 174.22 3i04 s VAL 427 N -1.51 1.00 -0.12 7.11 1.01 -0.39 -3.52 120.40 123.98 3i04 s VAL 427 Ca 0.57 -0.45 -0.03 0.00 0.00 0.00 0.00 61.98 62.07 3i04 s VAL 427 Cb -0.27 -0.89 -0.03 0.00 0.00 0.00 0.00 36.38 35.19 3i04 s VAL 427 CO 0.34 0.31 -0.02 -0.69 0.00 0.00 0.00 175.10 175.03 3i04 s VAL 428 N 0.34 4.09 0.00 2.92 1.01 -0.17 -1.11 120.40 127.47 3i04 s VAL 428 Ca -0.07 -0.31 0.00 0.00 0.00 0.00 0.00 61.98 61.60 3i04 s VAL 428 Cb -0.12 -2.75 0.00 0.00 0.00 0.00 0.00 36.38 33.52 3i04 s VAL 428 CO 0.02 0.55 0.00 0.00 0.00 0.00 0.00 175.10 175.67 3i04 n ALA 429 N 2.80 0.00 -0.90 5.51 0.00 -0.13 -4.58 120.51 123.21 3i04 n ALA 429 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 3i04 n ALA 429 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.98 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 0.00 0.51 2.78 0.00 0.00 -1.25 -0.73 105.19 106.50 3i04 n GLY 430 Ca 0.00 -0.89 -0.42 0.00 0.00 0.00 0.00 46.02 44.71 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 -2.88 3.39 -0.84 1.61 7.02 -0.95 -2.92 117.44 121.86 3i04 n TRP 431 Ca 0.00 -2.93 -0.32 0.00 -1.02 0.00 0.00 57.50 53.23 3i04 n TRP 431 Cb 0.04 -2.39 0.15 0.00 -2.42 0.00 0.00 31.31 26.69 3i04 n TRP 431 CO 0.00 0.00 0.00 -1.13 -2.02 0.00 0.00 177.69 174.54 3i04 n SER 432 N 5.50 0.46 -0.21 -0.99 3.41 -1.26 -4.25 113.62 116.28 3i04 n SER 432 Ca 0.48 0.48 0.08 0.00 -0.26 0.00 0.00 58.87 59.66 3i04 n SER 432 Cb 0.38 -1.47 0.36 0.00 -0.26 0.00 0.00 64.21 63.22 3i04 n SER 432 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 3i04 h LEU 433 N -1.51 0.66 -0.66 1.04 5.85 -1.92 -1.33 115.31 117.43 3i04 h LEU 433 Ca -0.44 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.35 3i04 h LEU 433 Cb 1.28 -0.12 -0.06 0.00 0.37 0.00 0.00 40.66 42.13 3i04 h LEU 433 CO 0.42 0.40 0.36 -0.33 -0.34 0.00 0.00 178.44 178.95 3i04 h GLU 434 N 0.74 0.64 -0.37 1.25 3.07 -1.91 0.16 114.58 118.16 3i04 h GLU 434 Ca 0.36 -0.04 -0.17 0.00 -0.50 0.00 0.00 59.36 59.01 3i04 h GLU 434 Cb 0.41 -0.14 -0.00 0.00 -0.84 0.00 0.00 28.75 28.17 3i04 h GLU 434 CO -0.13 0.42 -0.42 0.00 -1.40 0.00 0.00 179.01 177.48 3i04 h ALA 435 N 1.36 0.55 -0.41 3.43 0.00 -1.68 -1.30 119.26 121.20 3i04 h ALA 435 Ca 0.30 -0.47 -0.04 0.00 0.00 0.00 0.00 54.91 54.71 3i04 h ALA 435 Cb 0.21 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 3i04 h ALA 435 CO -0.19 0.68 0.11 -0.07 0.00 0.00 0.00 179.25 179.78 3i04 h LEU 436 N 0.75 0.61 -0.80 0.00 3.38 -0.97 -1.79 115.31 116.49 3i04 h LEU 436 Ca 0.05 -0.22 -0.04 0.00 0.09 0.00 0.00 57.88 57.76 3i04 h LEU 436 Cb 1.02 -0.16 -0.04 0.00 0.09 0.00 0.00 40.66 41.57 3i04 h LEU 436 CO 0.10 0.67 0.33 0.74 0.09 0.00 0.00 178.44 180.38 3i04 h THR 437 N 0.52 1.26 -0.60 0.22 2.02 -0.89 -0.82 112.91 114.62 3i04 h THR 437 Ca 0.13 -0.80 -0.00 0.00 0.77 0.00 0.00 66.41 66.51 3i04 h THR 437 Cb 0.29 0.29 -0.03 0.00 -1.74 0.00 0.00 68.15 66.96 3i04 h THR 437 CO -0.00 0.33 0.37 0.50 0.37 0.00 0.00 175.52 177.09 3i04 h LYS 438 N 1.16 0.82 -0.02 6.66 3.64 -1.12 0.38 116.57 128.09 3i04 h LYS 438 Ca 0.27 -0.07 0.01 0.00 -1.27 0.00 0.00 60.65 59.59 3i04 h LYS 438 Cb 0.19 -0.17 -0.01 0.00 -0.41 0.00 0.00 32.23 31.83 3i04 h LYS 438 CO -0.02 0.58 -0.04 1.25 -2.27 0.00 0.00 179.45 178.95 3i04 h LEU 439 N 0.82 -0.12 -0.96 5.20 5.85 -1.03 -2.75 115.31 122.32 3i04 h LEU 439 Ca 0.22 0.02 -0.07 0.00 0.84 0.00 0.00 57.88 58.89 3i04 h LEU 439 Cb -0.03 0.06 -0.02 0.00 0.37 0.00 0.00 40.66 41.04 3i04 h LEU 439 CO -0.04 -0.06 0.01 -0.07 -0.34 0.00 0.00 178.44 177.94 3i04 h LEU 440 N -0.07 0.73 -1.67 2.25 3.38 -0.99 -2.80 115.31 116.15 3i04 h LEU 440 Ca 0.02 -0.17 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i04 h LEU 440 Cb 0.10 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 40.65 3i04 h LEU 440 CO -0.06 0.79 0.21 0.00 0.09 0.00 0.00 178.44 179.48 3i04 h ALA 441 N 1.29 1.18 0.00 1.53 0.00 0.07 -1.75 119.26 121.58 3i04 h ALA 441 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i04 h ALA 441 Cb 0.43 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.22 3i04 h ALA 441 CO 0.02 -0.18 0.00 0.25 0.00 0.00 0.00 179.25 179.34 3i04 n THR 442 N -2.53 0.92 0.04 0.00 -2.24 -1.06 -2.13 114.28 107.28 3i04 n THR 442 Ca -0.02 0.25 0.03 0.00 -2.27 0.00 0.00 64.05 62.04 3i04 n THR 442 Cb 0.25 -1.11 -0.04 0.00 -2.10 0.00 0.00 70.33 67.33 3i04 n THR 442 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3i04 n GLN 443 N -1.93 0.98 -3.07 -0.78 6.02 -0.67 -4.88 117.38 113.05 3i04 n GLN 443 Ca 0.03 -0.05 -0.02 0.00 -0.01 0.00 0.00 57.00 56.95 3i04 n GLN 443 Cb 0.20 -1.08 -0.01 0.00 1.02 0.00 0.00 30.24 30.37 3i04 n GLN 443 CO 0.00 0.00 0.00 1.21 -1.01 0.00 0.00 177.06 177.26 3i04 s ASN 444 N -2.51 -1.30 0.45 1.08 3.84 -1.11 -5.01 114.94 110.37 3i04 s ASN 444 Ca -0.01 -1.18 0.13 0.00 0.21 0.00 0.00 52.86 52.00 3i04 s ASN 444 Cb 0.04 1.82 1.00 0.00 -0.55 0.00 0.00 41.25 43.56 3i04 s ASN 444 CO 0.25 -0.14 2.02 0.00 -2.79 0.00 0.00 177.10 176.44 3i04 h ALA 445 N 6.32 1.72 -0.04 1.71 0.00 -1.71 -2.40 119.26 124.87 3i04 h ALA 445 Ca 0.06 -0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.66 3i04 h ALA 445 Cb 1.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 3i04 h ALA 445 CO 0.08 0.21 -0.75 1.96 0.00 0.00 0.00 179.25 180.75 3i04 h GLN 446 N 0.09 0.25 -1.29 0.00 7.50 -1.95 -3.40 115.11 116.33 3i04 h GLN 446 Ca 0.02 -0.22 -0.43 0.00 0.50 0.00 0.00 58.65 58.52 3i04 h GLN 446 Cb 0.23 0.05 -0.30 0.00 0.05 0.00 0.00 27.48 27.52 3i04 h GLN 446 CO 0.01 0.89 -0.87 -1.71 -1.50 0.00 0.00 178.83 175.65 3i04 n ASN 447 N -3.77 -1.03 -0.36 1.46 5.15 -1.13 -5.02 115.26 110.55 3i04 n ASN 447 Ca -0.03 -2.90 0.06 0.00 -0.60 0.00 0.00 54.58 51.11 3i04 n ASN 447 Cb 0.72 0.30 0.23 0.00 -0.53 0.00 0.00 39.78 40.50 3i04 n ASN 447 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 3i04 h PRO 448 N 4.09 1.00 -0.02 1.20 0.11 -1.65 -1.81 132.00 134.92 3i04 h PRO 448 Ca 0.00 -0.06 -0.06 0.00 0.11 0.00 0.00 66.00 65.99 3i04 h PRO 448 Cb 0.94 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.82 3i04 h PRO 448 CO 0.40 0.66 -0.29 0.97 -0.21 0.00 0.00 178.00 179.53 3i04 h ILE 449 N 1.03 1.21 -1.06 4.15 6.09 -1.91 -2.27 117.51 124.75 3i04 h ILE 449 Ca 0.49 -1.02 0.28 0.00 -1.37 0.00 0.00 64.86 63.24 3i04 h ILE 449 Cb 0.44 1.53 -0.08 0.00 0.47 0.00 0.00 36.82 39.17 3i04 h ILE 449 CO -0.25 0.29 0.70 -0.09 -3.07 0.00 0.00 178.15 175.73 3i04 h ARG 450 N 0.02 0.30 -0.63 2.19 9.65 -1.71 -0.29 114.38 123.91 3i04 h ARG 450 Ca 0.00 -0.02 0.04 0.00 -1.10 0.00 0.00 59.98 58.90 3i04 h ARG 450 Cb 0.52 -0.07 -0.04 0.00 -1.39 0.00 0.00 29.97 28.99 3i04 h ARG 450 CO 0.04 0.20 0.37 0.28 2.80 0.00 0.00 179.97 183.66 3i04 h VAL 451 N 0.31 1.04 0.02 0.20 2.07 -1.52 0.62 116.25 118.99 3i04 h VAL 451 Ca 0.59 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.86 3i04 h VAL 451 Cb 1.66 0.26 0.00 0.00 -1.52 0.00 0.00 31.29 31.69 3i04 h VAL 451 CO -0.24 0.13 -0.01 0.25 0.02 0.00 0.00 177.57 177.72 3i04 h LEU 452 N 0.72 -0.03 -0.69 2.57 5.85 -1.28 -2.80 115.31 119.64 3i04 h LEU 452 Ca 0.26 -0.61 0.12 0.00 0.84 0.00 0.00 57.88 58.49 3i04 h LEU 452 Cb 0.07 0.01 -0.09 0.00 0.37 0.00 0.00 40.66 41.03 3i04 h LEU 452 CO -0.13 0.62 0.27 0.78 -0.34 0.00 0.00 178.44 179.64 3i04 h ASN 453 N -0.70 0.25 -0.13 1.25 2.35 -0.87 -2.44 115.58 115.30 3i04 h ASN 453 Ca -0.00 0.10 -0.09 0.00 -0.55 0.00 0.00 56.30 55.75 3i04 h ASN 453 Cb 0.64 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3i04 h ASN 453 CO 0.01 0.12 -0.21 -0.61 -1.65 0.00 0.00 177.43 175.09 3i04 h GLN 454 N 0.43 0.55 -0.25 0.81 5.75 0.18 0.66 115.11 123.24 3i04 h GLN 454 Ca 0.37 -0.20 -0.11 0.00 -0.15 0.00 0.00 58.65 58.56 3i04 h GLN 454 Cb 0.51 -0.04 -0.01 0.00 1.07 0.00 0.00 27.48 29.01 3i04 h GLN 454 CO -0.36 0.73 -0.30 0.00 -2.65 0.00 0.00 178.83 176.24 3i04 h ALA 455 N 1.28 1.01 0.12 3.38 0.00 -1.17 0.16 119.26 124.04 3i04 h ALA 455 Ca 0.08 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.60 3i04 h ALA 455 Cb 0.63 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i04 h ALA 455 CO 0.04 0.59 -0.06 0.82 0.00 0.00 0.00 179.25 180.65 3i04 h ILE 456 N 0.44 1.06 -0.80 0.00 2.04 -1.03 0.39 117.51 119.61 3i04 h ILE 456 Ca 0.06 -0.81 0.07 0.00 1.00 0.00 0.00 64.86 65.18 3i04 h ILE 456 Cb 0.75 1.57 -0.05 0.00 -0.74 0.00 0.00 36.82 38.35 3i04 h ILE 456 CO 0.06 0.19 0.52 -0.07 0.00 0.00 0.00 178.15 178.86 3i04 h LEU 457 N -0.55 0.74 0.00 1.44 3.38 -0.65 -1.56 115.31 118.11 3i04 h LEU 457 Ca -0.02 0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i04 h LEU 457 Cb 0.44 -0.15 0.00 0.00 0.09 0.00 0.00 40.66 41.04 3i04 h LEU 457 CO 0.03 0.46 0.00 0.47 0.09 0.00 0.00 178.44 179.49 3i04 n ASP 458 N -4.49 0.00 0.00 -0.43 8.00 0.55 -4.90 116.55 115.28 3i04 n ASP 458 Ca 0.12 0.26 0.00 0.00 0.71 0.00 0.00 54.79 55.89 3i04 n ASP 458 Cb 0.25 -0.42 0.00 0.00 -0.02 0.00 0.00 41.12 40.93 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 1.23 0.64 0.24 0.44 0.00 -0.59 -4.94 105.19 102.22 3i04 n GLY 459 Ca 0.09 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.97 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 1.68 0.82 -6.41 1.61 4.81 -1.20 -3.44 114.58 112.45 3i04 h GLU 460 Ca 0.00 -0.49 -0.64 0.00 -0.13 0.00 0.00 59.36 58.09 3i04 h GLU 460 Cb 0.00 0.05 -0.13 0.00 0.63 0.00 0.00 28.75 29.30 3i04 h GLU 460 CO 0.00 1.13 -0.69 -0.51 -0.73 0.00 0.00 179.01 178.21 3i04 s LEU 461 N -8.79 3.29 0.25 1.64 1.43 -0.58 -3.87 118.68 112.05 3i04 s LEU 461 Ca -0.11 -0.30 0.25 0.00 -1.03 0.00 0.00 54.13 52.94 3i04 s LEU 461 Cb 0.10 -2.03 0.62 0.00 0.03 0.00 0.00 46.19 44.91 3i04 s LEU 461 CO 0.87 0.16 1.66 0.00 0.23 0.00 0.00 176.35 179.26 3i04 h ALA 462 N 3.32 0.93 0.00 4.21 0.00 -1.23 -3.38 119.26 123.10 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 1.17 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.96 3i04 h ALA 462 CO 0.57 0.00 0.00 0.41 0.00 0.00 0.00 179.25 180.23 3i04 n GLY 463 N 1.26 0.97 3.29 0.00 0.00 -1.26 -4.69 105.19 104.77 3i04 n GLY 463 Ca 0.05 -1.91 -0.28 0.00 0.00 0.00 0.00 46.02 43.88 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 -2.44 1.90 -0.02 1.61 1.01 -0.21 -1.64 120.40 120.60 3i04 s VAL 464 Ca 0.00 -1.26 0.01 0.00 0.00 0.00 0.00 61.98 60.73 3i04 s VAL 464 Cb 0.00 -1.63 0.01 0.00 0.00 0.00 0.00 36.38 34.76 3i04 s VAL 464 CO 0.00 0.31 -0.03 0.00 0.00 0.00 0.00 175.10 175.38 3i04 s ALA 465 N -0.77 0.41 -0.22 5.51 0.00 -0.61 -1.31 121.76 124.77 3i04 s ALA 465 Ca 0.10 -0.05 -0.09 0.00 0.00 0.00 0.00 51.96 51.91 3i04 s ALA 465 Cb -0.09 -0.22 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3i04 s ALA 465 CO 0.02 0.03 0.12 -1.17 0.00 0.00 0.00 175.76 174.75 3i04 s LEU 466 N 0.42 3.94 -0.16 0.00 1.98 -0.04 -0.95 118.68 123.88 3i04 s LEU 466 Ca -0.05 0.07 -0.02 0.00 -2.89 0.00 0.00 54.13 51.24 3i04 s LEU 466 Cb -0.08 -2.04 -0.01 0.00 0.66 0.00 0.00 46.19 44.72 3i04 s LEU 466 CO -0.01 0.09 -0.10 -0.63 -1.89 0.00 0.00 176.35 173.82 3i04 s ILE 467 N 0.89 3.22 0.35 6.68 -1.09 0.08 0.04 121.20 131.38 3i04 s ILE 467 Ca 0.06 -0.58 0.07 0.00 -2.23 0.00 0.00 60.65 57.97 3i04 s ILE 467 Cb -0.13 -2.39 -0.03 0.00 -1.58 0.00 0.00 42.46 38.32 3i04 s ILE 467 CO 0.03 0.49 0.26 0.00 -1.23 0.00 0.00 174.94 174.49 3i04 n GLY 469 N -0.70 -1.47 2.25 0.00 0.00 -1.26 -4.18 105.19 99.83 3i04 n GLY 469 Ca 0.05 -1.49 -0.19 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.42 6.34 -0.25 0.00 0.02 -1.21 -4.18 114.94 112.24 3i04 s ASN 471 Ca 0.46 0.19 -0.03 0.00 -1.02 0.00 0.00 52.86 52.46 3i04 s ASN 471 Cb -0.04 -1.92 0.14 0.00 0.02 0.00 0.00 41.25 39.45 3i04 s ASN 471 CO 0.35 -0.03 0.41 0.21 0.02 0.00 0.00 177.10 178.05 3i04 s ASN 472 N -3.55 0.02 0.00 -1.22 3.84 -1.04 -4.27 114.94 108.71 3i04 s ASN 472 Ca 0.35 0.32 0.11 0.00 0.21 0.00 0.00 52.86 53.85 3i04 s ASN 472 Cb -0.10 1.26 0.66 0.00 -0.55 0.00 0.00 41.25 42.52 3i04 s ASN 472 CO 0.29 -0.29 1.09 0.18 -2.79 0.00 0.00 177.10 175.58 3i04 n LEU 473 N 5.37 0.00 -0.08 3.21 4.77 -1.26 -1.70 117.00 127.32 3i04 n LEU 473 Ca -0.03 0.00 0.13 0.00 -0.03 0.00 0.00 56.01 56.07 3i04 n LEU 473 Cb 0.50 0.00 0.51 0.00 -2.33 0.00 0.00 43.42 42.11 3i04 n LEU 473 CO 0.06 0.00 1.19 0.11 -1.33 0.00 0.00 177.39 177.41 3i04 h LYS 474 N 0.00 0.37 -6.37 3.23 1.57 -1.96 -3.41 116.57 110.00 3i04 h LYS 474 Ca 0.00 -0.02 -0.61 0.00 -1.87 0.00 0.00 60.65 58.15 3i04 h LYS 474 Cb 0.00 -0.08 -0.14 0.00 0.08 0.00 0.00 32.23 32.09 3i04 h LYS 474 CO 0.00 0.24 -0.73 0.20 -0.57 0.00 0.00 179.45 178.59 3i04 s GLY 475 N -3.81 1.74 0.32 3.86 0.00 -0.69 -1.52 107.32 107.23 3i04 s GLY 475 Ca -0.07 -1.63 -0.29 0.00 0.00 0.00 0.00 44.72 42.73 3i04 s GLY 475 CO 0.75 -1.67 1.57 0.69 0.00 0.00 0.00 173.10 174.44 3i04 n PHE 476 N -0.27 2.94 -1.70 1.90 3.01 -1.26 -4.65 117.46 117.43 3i04 n PHE 476 Ca -0.09 0.31 -0.54 0.00 1.01 0.00 0.00 57.45 58.14 3i04 n PHE 476 Cb 0.57 -2.58 -0.06 0.00 -0.01 0.00 0.00 39.48 37.40 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 1.60 1.53 -0.45 -1.08 7.27 0.61 -2.11 117.38 124.76 3i04 n GLN 477 Ca 0.06 0.56 0.00 0.00 0.07 0.00 0.00 57.00 57.69 3i04 n GLN 477 Cb 0.38 -2.30 0.00 0.00 2.41 0.00 0.00 30.24 30.72 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 5.73 0.00 -0.16 1.69 8.00 -1.26 -1.52 116.55 129.02 3i04 n ASP 478 Ca 0.25 0.00 -0.11 0.00 0.71 0.00 0.00 54.79 55.64 3i04 n ASP 478 Cb 0.19 -0.01 -0.00 0.00 -0.02 0.00 0.00 41.12 41.28 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 0.94 -0.02 -2.24 -1.24 -1.80 -1.54 115.58 109.67 3i04 h ASN 479 Ca 0.00 -0.36 -0.26 0.00 0.71 0.00 0.00 56.30 56.39 3i04 h ASN 479 Cb 0.00 -0.26 0.02 0.00 0.73 0.00 0.00 38.32 38.81 3i04 h ASN 479 CO 0.00 1.08 -1.00 0.28 -1.29 0.00 0.00 177.43 176.50 3i04 h SER 480 N 0.78 0.92 -0.32 1.15 0.02 -1.90 -2.21 113.55 112.00 3i04 h SER 480 Ca 0.12 -0.71 0.06 0.00 -0.84 0.00 0.00 61.79 60.42 3i04 h SER 480 Cb 0.67 -0.28 -0.06 0.00 0.14 0.00 0.00 62.40 62.87 3i04 h SER 480 CO 0.05 1.52 -0.09 0.45 -1.14 0.00 0.00 176.83 177.61 3i04 h HIS 481 N 0.42 -0.20 -0.35 3.45 3.86 -1.86 -1.05 115.15 119.43 3i04 h HIS 481 Ca -0.12 0.03 -0.07 0.00 -1.16 0.00 0.00 60.37 59.05 3i04 h HIS 481 Cb 1.65 0.14 -0.01 0.00 1.06 0.00 0.00 27.41 30.24 3i04 h HIS 481 CO 0.10 -0.15 -0.06 -0.07 0.86 0.00 0.00 177.93 178.61 3i04 h LEU 482 N -0.01 0.65 -0.36 2.43 -0.00 -1.32 -0.47 115.31 116.23 3i04 h LEU 482 Ca 0.16 -0.35 -0.05 0.00 -0.00 0.00 0.00 57.88 57.63 3i04 h LEU 482 Cb 0.25 -0.18 -0.01 0.00 -0.00 0.00 0.00 40.66 40.72 3i04 h LEU 482 CO -0.34 0.85 0.01 0.74 -0.00 0.00 0.00 178.44 179.70 3i04 h THR 483 N 0.44 1.25 -0.27 0.22 2.02 -1.29 -1.02 112.91 114.27 3i04 h THR 483 Ca 0.09 -0.95 -0.00 0.00 0.77 0.00 0.00 66.41 66.32 3i04 h THR 483 Cb 0.55 1.17 -0.01 0.00 -1.74 0.00 0.00 68.15 68.12 3i04 h THR 483 CO 0.03 0.32 0.17 0.58 0.37 0.00 0.00 175.52 176.98 3i04 h VAL 484 N 0.44 1.10 -0.18 3.16 2.07 -1.12 -2.59 116.25 119.13 3i04 h VAL 484 Ca 0.10 -0.22 -0.01 0.00 0.82 0.00 0.00 66.70 67.39 3i04 h VAL 484 Cb 0.44 0.75 -0.01 0.00 -1.52 0.00 0.00 31.29 30.95 3i04 h VAL 484 CO 0.02 0.09 0.06 0.24 0.02 0.00 0.00 177.57 178.00 3i04 h MET 485 N 0.35 0.27 -0.53 1.57 2.07 -0.87 -1.59 114.93 116.20 3i04 h MET 485 Ca 0.10 -0.05 0.06 0.00 -2.07 0.00 0.00 59.70 57.74 3i04 h MET 485 Cb 0.01 -0.04 -0.05 0.00 -1.87 0.00 0.00 31.60 29.64 3i04 h MET 485 CO -0.02 0.36 0.23 0.87 1.07 0.00 0.00 176.91 179.42 3i04 h LYS 486 N 0.12 0.43 -0.78 1.72 1.57 -1.19 0.15 116.57 118.59 3i04 h LYS 486 Ca 0.06 -0.03 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3i04 h LYS 486 Cb 0.20 -0.10 -0.04 0.00 0.08 0.00 0.00 32.23 32.38 3i04 h LYS 486 CO -0.00 0.28 0.34 1.49 -0.57 0.00 0.00 179.45 180.99 3i04 h GLU 487 N 0.44 1.13 -0.14 3.15 4.57 -1.34 -1.87 114.58 120.53 3i04 h GLU 487 Ca 0.25 -0.18 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 3i04 h GLU 487 Cb 0.22 -0.20 0.00 0.00 -0.16 0.00 0.00 28.75 28.62 3i04 h GLU 487 CO -0.21 0.90 -0.37 -0.07 -1.18 0.00 0.00 179.01 178.08 3i04 h LEU 488 N 1.12 0.56 -0.61 1.64 3.38 -0.96 -2.60 115.31 117.84 3i04 h LEU 488 Ca 0.26 -0.59 0.06 0.00 0.09 0.00 0.00 57.88 57.71 3i04 h LEU 488 Cb 0.16 -0.16 -0.06 0.00 0.09 0.00 0.00 40.66 40.69 3i04 h LEU 488 CO -0.03 1.05 0.31 -0.07 0.09 0.00 0.00 178.44 179.78 3i04 h LEU 489 N 0.10 0.42 -1.50 1.67 3.38 -0.69 -1.43 115.31 117.27 3i04 h LEU 489 Ca -0.01 0.04 0.06 0.00 0.09 0.00 0.00 57.88 58.06 3i04 h LEU 489 Cb 0.98 -0.04 -0.04 0.00 0.09 0.00 0.00 40.66 41.66 3i04 h LEU 489 CO 0.08 0.27 0.41 0.50 0.09 0.00 0.00 178.44 179.79 3i04 h LYS 490 N 0.57 0.61 -0.71 1.13 3.64 -1.22 -1.84 116.57 118.75 3i04 h LYS 490 Ca 0.28 -0.04 -0.11 0.00 -1.27 0.00 0.00 60.65 59.51 3i04 h LYS 490 Cb 0.22 -0.14 -0.07 0.00 -0.41 0.00 0.00 32.23 31.84 3i04 h LYS 490 CO -0.20 0.40 0.14 0.09 -2.27 0.00 0.00 179.45 177.61 3i04 n ASN 491 N -4.47 4.95 -1.44 4.20 3.02 -0.83 -3.75 115.26 116.94 3i04 n ASN 491 Ca 0.08 -3.00 -0.11 0.00 -0.03 0.00 0.00 54.58 51.53 3i04 n ASN 491 Cb 0.22 -0.70 0.01 0.00 -0.61 0.00 0.00 39.78 38.69 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 0.20 -3.73 -4.77 6.41 3.02 -0.82 -4.41 115.26 111.16 3i04 n ASN 492 Ca 0.32 -0.07 -0.39 0.00 -0.03 0.00 0.00 54.58 54.41 3i04 n ASN 492 Cb 1.23 -2.81 -0.06 0.00 -0.61 0.00 0.00 39.78 37.53 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 -2.69 4.74 -0.35 2.41 1.01 -0.60 -0.91 120.40 124.02 3i04 s VAL 493 Ca 0.07 1.41 -0.29 0.00 0.00 0.00 0.00 61.98 63.17 3i04 s VAL 493 Cb -0.03 -4.00 0.01 0.00 0.00 0.00 0.00 36.38 32.35 3i04 s VAL 493 CO 0.09 0.45 1.30 0.12 0.00 0.00 0.00 175.10 177.06 3i04 s PHE 494 N -0.50 2.66 -0.22 5.22 5.36 -0.65 -4.54 117.98 125.30 3i04 s PHE 494 Ca 0.33 0.83 -0.06 0.00 -0.96 0.00 0.00 56.93 57.06 3i04 s PHE 494 Cb -0.20 -4.05 -0.03 0.00 -0.34 0.00 0.00 43.02 38.41 3i04 s PHE 494 CO 0.20 -1.67 0.04 0.08 -1.46 0.00 0.00 175.22 172.42 3i04 s VAL 495 N 4.59 4.21 0.19 3.12 1.01 -1.26 -1.57 120.40 130.70 3i04 s VAL 495 Ca 0.56 -0.22 0.08 0.00 0.00 0.00 0.00 61.98 62.41 3i04 s VAL 495 Cb -0.15 -2.94 -0.04 0.00 0.00 0.00 0.00 36.38 33.26 3i04 s VAL 495 CO 0.26 0.39 -0.03 0.68 0.00 0.00 0.00 175.10 176.39 3i04 s VAL 496 N 1.24 3.50 0.04 2.92 -7.23 -0.12 -1.56 120.40 119.18 3i04 s VAL 496 Ca 0.04 -1.59 -0.13 0.00 -1.81 0.00 0.00 61.98 58.48 3i04 s VAL 496 Cb -0.15 -2.77 0.02 0.00 0.56 0.00 0.00 36.38 34.04 3i04 s VAL 496 CO 0.02 -0.16 0.29 0.00 -0.31 0.00 0.00 175.10 174.95 3i04 s ALA 497 N -1.84 -0.67 0.21 1.32 0.00 -0.33 -0.74 121.76 119.72 3i04 s ALA 497 Ca 0.27 0.02 -0.02 0.00 0.00 0.00 0.00 51.96 52.23 3i04 s ALA 497 Cb -0.09 0.29 -0.04 0.00 0.00 0.00 0.00 23.12 23.29 3i04 s ALA 497 CO 0.18 -0.39 0.17 0.95 0.00 0.00 0.00 175.76 176.67 3i04 s THR 498 N -2.40 0.00 0.00 0.00 -4.23 -0.65 -0.72 115.64 107.64 3i04 s THR 498 Ca -0.06 -1.93 0.00 0.00 -1.18 0.00 0.00 61.69 58.52 3i04 s THR 498 Cb -0.01 -2.47 0.00 0.00 1.34 0.00 0.00 72.50 71.36 3i04 s THR 498 CO -0.02 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.67 3i04 n GLY 499 N -0.29 2.00 0.21 3.99 0.00 -0.69 -2.10 105.19 108.31 3i04 n GLY 499 Ca 0.02 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.67 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 0.32 0.08 0.00 0.87 -1.28 -0.90 113.55 112.65 3i04 h SER 501 Ca 0.00 -0.26 -0.09 0.00 -1.23 0.00 0.00 61.79 60.21 3i04 h SER 501 Cb 0.66 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3i04 h SER 501 CO 0.00 0.50 -0.28 0.00 -0.53 0.00 0.00 176.83 176.52 3i04 h ALA 502 N 0.83 1.22 -0.54 6.23 0.00 -1.05 -2.23 119.26 123.71 3i04 h ALA 502 Ca 0.06 -0.33 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 3i04 h ALA 502 Cb 0.32 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.99 3i04 h ALA 502 CO 0.00 0.52 0.06 1.96 0.00 0.00 0.00 179.25 181.79 3i04 h GLN 503 N 0.28 0.87 -0.43 0.00 4.20 -1.32 0.88 115.11 119.58 3i04 h GLN 503 Ca 0.04 -0.22 0.01 0.00 0.06 0.00 0.00 58.65 58.55 3i04 h GLN 503 Cb 0.64 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 28.29 3i04 h GLN 503 CO 0.05 0.83 0.28 0.00 -0.67 0.00 0.00 178.83 179.31 3i04 h ALA 504 N 1.25 0.55 -0.28 3.87 0.00 -0.70 0.13 119.26 124.08 3i04 h ALA 504 Ca 0.17 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3i04 h ALA 504 Cb 0.40 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 3i04 h ALA 504 CO 0.01 -0.02 0.15 0.00 0.00 0.00 0.00 179.25 179.39 3i04 h ALA 505 N 1.17 0.35 -0.02 0.00 0.00 -1.20 -2.67 119.26 116.90 3i04 h ALA 505 Ca 0.16 -0.07 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 505 Cb -0.04 -0.11 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 3i04 h ALA 505 CO -0.05 -0.11 -0.20 0.78 0.00 0.00 0.00 179.25 179.67 3i04 h GLY 506 N 0.33 -0.26 1.51 0.00 0.00 -0.46 -0.06 103.07 104.13 3i04 h GLY 506 Ca 0.10 0.24 0.03 0.00 0.00 0.00 0.00 47.33 47.70 3i04 h GLY 506 CO -0.02 -0.18 0.26 0.50 0.00 0.00 0.00 176.54 177.11 3i04 h LYS 507 N -0.31 0.41 -0.02 4.80 1.57 -0.72 -3.22 116.57 119.07 3i04 h LYS 507 Ca 0.06 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 3i04 h LYS 507 Cb 0.40 -0.09 0.00 0.00 0.08 0.00 0.00 32.23 32.62 3i04 h LYS 507 CO -0.20 0.27 0.00 1.28 -0.57 0.00 0.00 179.45 180.23 3i04 n LEU 508 N -4.48 1.68 0.00 2.94 4.77 -1.01 -4.48 117.00 116.42 3i04 n LEU 508 Ca 0.04 -1.06 0.00 0.00 -0.03 0.00 0.00 56.01 54.96 3i04 n LEU 508 Cb 0.15 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.23 3i04 n LEU 508 CO 0.35 0.35 0.00 0.61 -1.33 0.00 0.00 177.39 177.36 3i04 n GLY 509 N 0.41 0.81 0.06 -0.72 0.00 -0.68 -4.98 105.19 100.09 3i04 n GLY 509 Ca 0.05 0.00 0.15 0.00 0.00 0.00 0.00 46.02 46.21 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 0.24 -1.32 0.99 4.32 -0.12 -2.52 117.00 118.59 3i04 n LEU 510 Ca 0.00 0.07 0.11 0.00 -0.02 0.00 0.00 56.01 56.17 3i04 n LEU 510 Cb 0.00 -0.16 0.31 0.00 -1.62 0.00 0.00 43.42 41.95 3i04 n LEU 510 CO 0.00 0.04 0.77 0.18 -1.22 0.00 0.00 177.39 177.16 3i04 n LEU 511 N -1.02 3.97 -4.56 2.23 4.77 -1.19 -2.66 117.00 118.54 3i04 n LEU 511 Ca 0.17 -2.06 -0.40 0.00 -0.03 0.00 0.00 56.01 53.69 3i04 n LEU 511 Cb 0.22 -0.48 -0.10 0.00 -2.33 0.00 0.00 43.42 40.74 3i04 n LEU 511 CO 0.22 0.94 -0.02 -0.62 -1.33 0.00 0.00 177.39 176.58 3i04 s ASP 512 N -1.00 6.15 0.61 -1.43 -1.08 -1.05 -1.00 116.67 117.88 3i04 s ASP 512 Ca 0.47 -0.10 0.29 0.00 -0.52 0.00 0.00 52.55 52.69 3i04 s ASP 512 Cb 0.25 -2.18 1.57 0.00 -1.46 0.00 0.00 42.92 41.10 3i04 s ASP 512 CO 0.31 -0.24 1.94 -0.65 0.52 0.00 0.00 175.17 177.05 3i04 h PRO 513 N 8.39 0.00 0.00 4.34 0.11 -1.88 0.22 132.00 143.17 3i04 h PRO 513 Ca -0.31 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.80 3i04 h PRO 513 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3i04 h PRO 513 CO 0.65 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.44 3i04 n ALA 514 N -2.19 1.52 0.10 -0.75 0.00 -1.26 -2.34 120.51 115.59 3i04 n ALA 514 Ca 0.04 -0.01 0.10 0.00 0.00 0.00 0.00 53.44 53.57 3i04 n ALA 514 Cb 0.51 -1.22 0.21 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.64 3.31 -0.14 0.00 3.02 0.77 -4.45 115.26 116.13 3i04 n ASN 515 Ca 0.02 -1.94 -0.04 0.00 -0.03 0.00 0.00 54.58 52.60 3i04 n ASN 515 Cb 0.14 -0.27 0.05 0.00 -0.61 0.00 0.00 39.78 39.09 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 3.75 0.77 -0.17 2.41 2.07 -1.60 -2.29 116.25 121.19 3i04 h VAL 516 Ca 0.00 -0.08 -0.04 0.00 0.82 0.00 0.00 66.70 67.40 3i04 h VAL 516 Cb 0.89 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.17 3i04 h VAL 516 CO 0.00 0.04 -0.10 -0.08 0.02 0.00 0.00 177.57 177.46 3i04 h GLU 517 N 0.23 0.25 0.00 1.57 4.57 -1.82 -1.15 114.58 118.23 3i04 h GLU 517 Ca 0.22 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 58.19 3i04 h GLU 517 Cb 0.27 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.80 3i04 h GLU 517 CO -0.28 0.36 -0.71 1.79 -1.18 0.00 0.00 179.01 178.99 3i04 h THR 518 N 0.24 1.26 0.00 0.32 1.35 -1.69 -3.40 112.91 111.00 3i04 h THR 518 Ca 0.05 -2.69 -0.16 0.00 -0.55 0.00 0.00 66.41 63.06 3i04 h THR 518 Cb 0.33 2.56 -0.03 0.00 -1.73 0.00 0.00 68.15 69.28 3i04 h THR 518 CO 0.02 0.70 -1.62 -1.22 -0.25 0.00 0.00 175.52 173.15 3i04 n TYR 519 N -3.33 0.00 -3.17 4.73 0.53 -0.96 -5.03 117.16 109.93 3i04 n TYR 519 Ca 0.01 0.00 -0.39 0.00 -1.02 0.00 0.00 57.90 56.50 3i04 n TYR 519 Cb 0.80 -0.44 -0.05 0.00 -1.03 0.00 0.00 39.34 38.62 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 0.76 1.59 0.34 0.00 0.00 -0.76 -4.64 107.32 104.61 3i04 s GLY 521 Ca 0.32 0.08 0.01 0.00 0.00 0.00 0.00 44.72 45.13 3i04 s GLY 521 CO 0.14 0.71 1.99 -0.55 0.00 0.00 0.00 173.10 175.39 3i04 h ASP 522 N -2.38 0.78 0.27 1.64 3.32 -1.91 -1.22 116.42 116.91 3i04 h ASP 522 Ca -0.56 -0.03 -0.01 0.00 0.02 0.00 0.00 57.03 56.45 3i04 h ASP 522 Cb 1.31 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.67 3i04 h ASP 522 CO 0.48 0.57 -0.13 1.23 -1.72 0.00 0.00 179.24 179.67 3i04 h GLY 523 N 0.92 -0.37 0.95 2.75 0.00 -1.92 -0.93 103.07 104.46 3i04 h GLY 523 Ca 0.24 0.14 0.01 0.00 0.00 0.00 0.00 47.33 47.72 3i04 h GLY 523 CO -0.05 -0.14 0.08 -2.00 0.00 0.00 0.00 176.54 174.43 3i04 h LEU 524 N -0.56 0.12 -0.27 3.11 5.85 -1.63 -1.05 115.31 120.88 3i04 h LEU 524 Ca -0.04 0.00 0.03 0.00 0.84 0.00 0.00 57.88 58.71 3i04 h LEU 524 Cb 0.41 -0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 3i04 h LEU 524 CO 0.06 0.10 0.11 0.50 -0.34 0.00 0.00 178.44 178.86 3i04 h LYS 525 N 0.17 0.23 -0.50 1.25 3.64 -1.21 0.10 116.57 120.25 3i04 h LYS 525 Ca 0.06 -0.01 -0.08 0.00 -1.27 0.00 0.00 60.65 59.35 3i04 h LYS 525 Cb 0.00 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 3i04 h LYS 525 CO -0.04 0.15 -0.01 0.78 -2.27 0.00 0.00 179.45 178.07 3i04 h GLY 526 N 0.24 0.92 0.78 5.01 0.00 -1.13 0.31 103.07 109.20 3i04 h GLY 526 Ca 0.12 -0.63 0.04 0.00 0.00 0.00 0.00 47.33 46.86 3i04 h GLY 526 CO -0.11 0.58 0.31 -2.75 0.00 0.00 0.00 176.54 174.58 3i04 h PHE 527 N 0.79 0.58 -0.19 5.60 3.57 -0.55 -1.64 116.94 125.11 3i04 h PHE 527 Ca 0.15 0.02 -0.19 0.00 3.53 0.00 0.00 57.97 61.48 3i04 h PHE 527 Cb 0.49 -0.18 0.00 0.00 2.79 0.00 0.00 35.95 39.05 3i04 h PHE 527 CO 0.03 0.30 -0.65 -0.07 -2.23 0.00 0.00 178.31 175.69 3i04 h LEU 528 N 0.61 0.78 -0.13 0.59 3.38 -0.56 -1.64 115.31 118.34 3i04 h LEU 528 Ca 0.24 -0.46 0.00 0.00 0.09 0.00 0.00 57.88 57.75 3i04 h LEU 528 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3i04 h LEU 528 CO -0.14 1.23 0.08 0.50 0.09 0.00 0.00 178.44 180.20 3i04 h LYS 529 N 0.50 0.16 -0.56 1.13 3.64 -0.87 0.69 116.57 121.25 3i04 h LYS 529 Ca -0.01 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.41 3i04 h LYS 529 Cb 1.24 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.97 3i04 h LYS 529 CO 0.13 0.10 0.29 -0.09 -2.27 0.00 0.00 179.45 177.61 3i04 h ARG 530 N 0.16 0.54 0.09 1.90 2.43 -1.29 -1.71 114.38 116.50 3i04 h ARG 530 Ca 0.05 -0.03 0.01 0.00 -0.81 0.00 0.00 59.98 59.20 3i04 h ARG 530 Cb -0.01 -0.12 -0.02 0.00 -0.42 0.00 0.00 29.97 29.40 3i04 h ARG 530 CO -0.02 0.35 -0.13 -0.07 -1.51 0.00 0.00 179.97 178.59 3i04 h LEU 531 N 0.55 -0.36 -1.15 3.80 3.38 -1.00 -2.82 115.31 117.72 3i04 h LEU 531 Ca 0.25 0.04 -0.08 0.00 0.09 0.00 0.00 57.88 58.18 3i04 h LEU 531 Cb 0.16 0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.04 3i04 h LEU 531 CO -0.17 -0.20 -0.26 1.23 0.09 0.00 0.00 178.44 179.13 3i04 h GLY 532 N -0.27 0.30 1.20 0.83 0.00 -0.55 -2.90 103.07 101.67 3i04 h GLY 532 Ca 0.02 -0.23 -0.17 0.00 0.00 0.00 0.00 47.33 46.95 3i04 h GLY 532 CO -0.07 0.21 -0.47 0.83 0.00 0.00 0.00 176.54 177.04 3i04 h GLU 533 N 0.25 0.86 0.00 4.80 5.08 -1.34 -3.13 114.58 121.10 3i04 h GLU 533 Ca 0.04 -0.50 0.00 0.00 -1.00 0.00 0.00 59.36 57.90 3i04 h GLU 533 Cb 0.59 0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.88 3i04 h GLU 533 CO 0.04 1.14 0.00 0.41 -1.00 0.00 0.00 179.01 179.60 3i04 n GLY 534 N 0.23 -1.53 0.02 -3.84 0.00 -1.07 -3.61 105.19 95.40 3i04 n GLY 534 Ca -0.03 -0.08 0.11 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.58 3.67 -3.10 4.61 0.00 -1.11 -4.89 120.51 118.11 3i04 n ALA 535 Ca 0.06 -0.48 -0.16 0.00 0.00 0.00 0.00 53.44 52.87 3i04 n ALA 535 Cb 0.35 -0.88 0.02 0.00 0.00 0.00 0.00 19.45 18.94 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 -1.88 -7.14 -4.42 0.00 4.13 -1.24 -4.95 115.26 99.76 3i04 n ASN 536 Ca 0.01 0.19 -0.44 0.00 1.68 0.00 0.00 54.58 56.03 3i04 n ASN 536 Cb 0.43 -4.22 -0.07 0.00 -1.54 0.00 0.00 39.78 34.38 3i04 n ASN 536 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3i04 s ILE 537 N -2.39 5.09 0.04 2.41 -1.09 -1.19 -4.92 121.20 119.14 3i04 s ILE 537 Ca 0.24 -0.75 -0.28 0.00 -2.23 0.00 0.00 60.65 57.63 3i04 s ILE 537 Cb -0.05 -4.17 -0.17 0.00 -1.58 0.00 0.00 42.46 36.49 3i04 s ILE 537 CO 0.80 -0.62 1.39 -0.33 -1.23 0.00 0.00 174.94 174.95 3i04 h GLU 538 N 8.83 -0.56 0.30 2.79 4.39 -1.92 -3.38 114.58 125.03 3i04 h GLU 538 Ca -0.28 0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.45 3i04 h GLU 538 Cb 1.11 0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.87 3i04 h GLU 538 CO 0.89 -0.28 -0.29 -0.84 -1.16 0.00 0.00 179.01 177.33 3i04 h ILE 539 N -0.78 0.00 0.00 3.13 -2.65 -1.99 -3.49 117.51 111.73 3i04 h ILE 539 Ca -0.06 0.00 0.00 0.00 1.03 0.00 0.00 64.86 65.83 3i04 h ILE 539 Cb 0.54 0.00 0.00 0.00 -2.05 0.00 0.00 36.82 35.31 3i04 h ILE 539 CO 0.10 0.00 0.00 0.61 0.03 0.00 0.00 178.15 178.89 3i04 n GLY 540 N -1.32 3.70 3.71 0.16 0.00 -1.26 -5.00 105.19 105.18 3i04 n GLY 540 Ca -0.07 -1.55 -0.39 0.00 0.00 0.00 0.00 46.02 44.01 3i04 n GLY 540 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3i04 s LEU 541 N 0.00 4.27 0.70 0.99 1.43 -1.26 -4.83 118.68 119.98 3i04 s LEU 541 Ca 0.00 0.99 -0.11 0.00 -1.03 0.00 0.00 54.13 53.98 3i04 s LEU 541 Cb 0.00 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.32 3i04 s LEU 541 CO 0.00 -0.10 1.08 -2.16 0.23 0.00 0.00 176.35 175.40 3i04 s PRO 542 N 0.94 2.93 0.23 1.29 0.04 -1.26 -4.26 135.00 134.90 3i04 s PRO 542 Ca 0.32 0.57 -0.03 0.00 0.04 0.00 0.00 61.00 61.90 3i04 s PRO 542 Cb -0.16 -2.02 0.23 0.00 0.04 0.00 0.00 34.50 32.59 3i04 s PRO 542 CO 0.14 -1.01 1.65 -1.35 0.04 0.00 0.00 177.00 176.47 3i04 h PRO 543 N -0.64 0.71 -5.68 0.56 0.11 -1.79 -3.44 132.00 121.83 3i04 h PRO 543 Ca -0.45 -0.28 -0.67 0.00 0.11 0.00 0.00 66.00 64.70 3i04 h PRO 543 Cb 1.24 -0.03 -0.27 0.00 0.11 0.00 0.00 31.00 32.04 3i04 h PRO 543 CO 0.62 0.88 -0.80 0.08 -0.21 0.00 0.00 178.00 178.58 3i04 s VAL 544 N -4.57 2.80 -0.38 3.15 1.01 -1.09 -4.53 120.40 116.80 3i04 s VAL 544 Ca -0.09 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 60.97 3i04 s VAL 544 Cb 0.13 -2.13 0.01 0.00 0.00 0.00 0.00 36.38 34.39 3i04 s VAL 544 CO 0.83 0.55 0.32 -0.36 0.00 0.00 0.00 175.10 176.44 3i04 s PHE 545 N -0.01 3.22 -0.51 5.22 0.40 -0.60 -4.69 117.98 121.02 3i04 s PHE 545 Ca -0.05 -0.36 -0.29 0.00 -0.60 0.00 0.00 56.93 55.63 3i04 s PHE 545 Cb -0.14 -2.63 0.02 0.00 0.51 0.00 0.00 43.02 40.78 3i04 s PHE 545 CO 0.04 -0.52 1.25 -1.58 0.70 0.00 0.00 175.22 175.11 3i04 s HIS 546 N 1.83 2.59 -2.45 0.36 2.46 -1.26 -1.18 115.29 117.63 3i04 s HIS 546 Ca 0.08 0.58 0.23 0.00 0.47 0.00 0.00 55.06 56.42 3i04 s HIS 546 Cb -0.18 -4.43 0.70 0.00 -0.13 0.00 0.00 32.58 28.54 3i04 s HIS 546 CO 0.11 -1.62 1.54 -1.33 -2.47 0.00 0.00 174.74 170.97 3i04 n MET 547 N 8.20 1.92 0.00 2.88 2.81 0.10 -2.25 117.12 130.77 3i04 n MET 547 Ca 0.12 -1.36 0.00 0.00 -1.81 0.00 0.00 57.70 54.65 3i04 n MET 547 Cb 0.49 -1.44 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 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 1.23 0.50 3.62 3.03 0.00 -1.25 -4.73 105.19 107.59 3i04 n GLY 548 Ca 0.17 -2.21 -0.30 0.00 0.00 0.00 0.00 46.02 43.68 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 1.12 0.22 1.61 1.04 -1.26 -1.71 113.70 110.72 3i04 s SER 549 Ca 0.00 0.60 -0.06 0.00 0.48 0.00 0.00 55.95 56.97 3i04 s SER 549 Cb 0.00 -0.83 0.20 0.00 0.10 0.00 0.00 66.02 65.50 3i04 s SER 549 CO 0.00 -4.00 1.74 0.00 0.98 0.00 0.00 173.24 171.96 3i04 h VAL 551 N 0.96 0.71 0.00 0.00 -1.51 -1.93 -0.69 116.25 113.78 3i04 h VAL 551 Ca 0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.67 3i04 h VAL 551 Cb 0.40 0.82 0.00 0.00 -2.13 0.00 0.00 31.29 30.38 3i04 h VAL 551 CO 0.01 0.00 0.00 0.47 -1.23 0.00 0.00 177.57 176.82 3i04 n ASP 552 N -4.24 0.00 -0.00 4.19 9.92 -0.40 -1.08 116.55 124.94 3i04 n ASP 552 Ca 0.04 -0.42 0.18 0.00 -0.53 0.00 0.00 54.79 54.07 3i04 n ASP 552 Cb 0.41 -0.11 0.66 0.00 -0.64 0.00 0.00 41.12 41.43 3i04 n ASP 552 CO 0.00 0.00 0.00 0.78 0.13 0.00 0.00 177.20 178.11 3i04 h ASN 553 N 0.00 0.06 -0.30 -2.24 2.35 -1.11 -1.12 115.58 113.22 3i04 h ASN 553 Ca 0.00 0.00 0.09 0.00 -0.55 0.00 0.00 56.30 55.84 3i04 h ASN 553 Cb 0.07 -0.01 -0.01 0.00 0.05 0.00 0.00 38.32 38.42 3i04 h ASN 553 CO 0.00 0.03 0.24 0.77 -1.65 0.00 0.00 177.43 176.82 3i04 h SER 554 N 0.07 0.00 -0.36 5.81 4.64 -1.32 -1.82 113.55 120.57 3i04 h SER 554 Ca 0.25 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.45 3i04 h SER 554 Cb 0.90 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.97 3i04 h SER 554 CO -0.02 0.00 -0.23 0.03 -0.87 0.00 0.00 176.83 175.75 3i04 h ARG 555 N 0.00 0.86 -0.50 4.77 3.08 -1.43 -1.88 114.38 119.27 3i04 h ARG 555 Ca 0.14 -0.36 -0.05 0.00 0.07 0.00 0.00 59.98 59.78 3i04 h ARG 555 Cb 0.61 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.60 3i04 h ARG 555 CO -0.00 1.00 0.09 0.00 -1.07 0.00 0.00 179.97 179.98 3i04 h ALA 556 N 1.00 1.21 -0.42 0.04 0.00 -1.39 -0.47 119.26 119.22 3i04 h ALA 556 Ca 0.10 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.77 3i04 h ALA 556 Cb 0.76 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 3i04 h ALA 556 CO 0.06 0.53 0.17 0.28 0.00 0.00 0.00 179.25 180.29 3i04 h VAL 557 N 0.75 1.20 -0.86 0.00 2.07 -1.25 0.73 116.25 118.89 3i04 h VAL 557 Ca 0.16 -0.62 0.07 0.00 0.82 0.00 0.00 66.70 67.14 3i04 h VAL 557 Cb 0.33 0.82 -0.07 0.00 -1.52 0.00 0.00 31.29 30.86 3i04 h VAL 557 CO 0.00 0.23 0.52 0.44 0.02 0.00 0.00 177.57 178.78 3i04 h ASP 558 N 0.53 0.80 -0.22 0.57 3.32 -1.11 0.20 116.42 120.52 3i04 h ASP 558 Ca 0.14 0.03 -0.01 0.00 0.02 0.00 0.00 57.03 57.21 3i04 h ASP 558 Cb 0.19 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 3i04 h ASP 558 CO -0.01 0.50 0.10 0.25 -1.72 0.00 0.00 179.24 178.36 3i04 h LEU 559 N 0.93 0.29 -0.53 1.55 5.85 -0.80 0.14 115.31 122.74 3i04 h LEU 559 Ca 0.39 -0.13 0.07 0.00 0.84 0.00 0.00 57.88 59.05 3i04 h LEU 559 Cb 0.24 -0.08 -0.06 0.00 0.37 0.00 0.00 40.66 41.13 3i04 h LEU 559 CO -0.20 0.34 0.20 0.25 -0.34 0.00 0.00 178.44 178.69 3i04 h LEU 560 N 0.23 0.20 -0.60 2.25 5.85 0.07 -1.36 115.31 121.94 3i04 h LEU 560 Ca 0.08 0.06 -0.10 0.00 0.84 0.00 0.00 57.88 58.76 3i04 h LEU 560 Cb 0.13 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.18 3i04 h LEU 560 CO -0.01 0.14 -0.01 0.24 -0.34 0.00 0.00 178.44 178.46 3i04 h MET 561 N 0.38 1.07 -0.50 1.25 2.86 -0.43 0.63 114.93 120.19 3i04 h MET 561 Ca 0.26 -0.35 0.05 0.00 -2.06 0.00 0.00 59.70 57.60 3i04 h MET 561 Cb 0.28 -0.09 -0.05 0.00 0.06 0.00 0.00 31.60 31.80 3i04 h MET 561 CO -0.26 1.05 0.23 0.00 1.06 0.00 0.00 176.91 178.99 3i04 h ALA 562 N 0.98 0.64 -0.24 6.32 0.00 -0.65 -1.28 119.26 125.04 3i04 h ALA 562 Ca 0.17 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.10 3i04 h ALA 562 Cb 0.57 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3i04 h ALA 562 CO 0.03 -0.13 0.11 0.52 0.00 0.00 0.00 179.25 179.78 3i04 h MET 563 N 0.46 0.34 -0.29 0.00 2.07 -0.98 -1.87 114.93 114.65 3i04 h MET 563 Ca 0.23 -0.05 0.03 0.00 -2.07 0.00 0.00 59.70 57.83 3i04 h MET 563 Cb 0.17 -0.06 -0.03 0.00 -1.87 0.00 0.00 31.60 29.81 3i04 h MET 563 CO -0.18 0.36 0.12 0.00 1.07 0.00 0.00 176.91 178.27 3i04 h ALA 564 N 0.97 0.34 -0.52 6.32 0.00 -0.73 0.01 119.26 125.64 3i04 h ALA 564 Ca 0.08 0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.06 3i04 h ALA 564 Cb 0.13 -0.01 -0.05 0.00 0.00 0.00 0.00 17.79 17.86 3i04 h ALA 564 CO -0.01 -0.28 0.26 -0.97 0.00 0.00 0.00 179.25 178.25 3i04 h ASN 565 N 0.26 0.36 -0.58 0.00 -1.24 -1.19 -1.49 115.58 111.71 3i04 h ASN 565 Ca 0.13 0.03 -0.09 0.00 0.71 0.00 0.00 56.30 57.07 3i04 h ASN 565 Cb 0.07 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.07 3i04 h ASN 565 CO -0.11 0.25 -0.00 -0.78 -1.29 0.00 0.00 177.43 175.49 3i04 h ASP 566 N 0.50 1.01 0.74 1.15 1.82 -1.06 -2.64 116.42 117.94 3i04 h ASP 566 Ca 0.23 -0.29 0.00 0.00 -0.39 0.00 0.00 57.03 56.59 3i04 h ASP 566 Cb 0.15 -0.27 0.00 0.00 0.68 0.00 0.00 39.33 39.89 3i04 h ASP 566 CO -0.17 1.07 0.00 -0.07 -1.61 0.00 0.00 179.24 178.46 3i04 h LEU 567 N 0.95 0.00 -0.37 2.28 3.38 -0.78 -3.48 115.31 117.29 3i04 h LEU 567 Ca 0.17 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 567 Cb 0.55 0.00 0.04 0.00 0.09 0.00 0.00 40.66 41.34 3i04 h LEU 567 CO 0.03 0.00 -0.26 0.61 0.09 0.00 0.00 178.44 178.91 3i04 n GLY 568 N -0.20 0.25 3.11 0.83 0.00 -0.61 -5.05 105.19 103.52 3i04 n GLY 568 Ca 0.01 -0.35 -0.08 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.95 0.19 0.82 1.61 -7.23 -0.91 -5.02 120.40 106.92 3i04 s VAL 569 Ca 0.18 -1.82 -0.12 0.00 -1.81 0.00 0.00 61.98 58.42 3i04 s VAL 569 Cb -0.08 -1.63 0.08 0.00 0.56 0.00 0.00 36.38 35.31 3i04 s VAL 569 CO 0.22 -0.87 1.10 -0.62 -0.31 0.00 0.00 175.10 174.62 3i04 s ASP 570 N -2.95 4.30 0.48 4.85 3.68 -1.26 -4.39 116.67 121.38 3i04 s ASP 570 Ca 0.11 1.26 0.18 0.00 2.13 0.00 0.00 52.55 56.23 3i04 s ASP 570 Cb 0.08 -1.97 1.19 0.00 -1.45 0.00 0.00 42.92 40.77 3i04 s ASP 570 CO -0.07 -2.09 2.05 0.71 0.13 0.00 0.00 175.17 175.90 3i04 h THR 571 N -1.17 0.96 0.00 1.71 1.35 -1.90 -1.60 112.91 112.26 3i04 h THR 571 Ca -0.48 -0.47 0.00 0.00 -0.55 0.00 0.00 66.41 64.92 3i04 h THR 571 Cb 1.28 1.26 0.00 0.00 -1.73 0.00 0.00 68.15 68.96 3i04 h THR 571 CO 0.59 0.13 0.00 -2.65 -0.25 0.00 0.00 175.52 173.34 3i04 n PRO 572 N -4.19 0.10 0.00 4.72 -0.02 -1.23 -1.26 135.00 133.13 3i04 n PRO 572 Ca -0.02 0.56 0.12 0.00 -2.02 0.00 0.00 63.50 62.13 3i04 n PRO 572 Cb 0.21 -1.81 0.12 0.00 -0.02 0.00 0.00 33.50 32.00 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 -2.02 1.88 -2.97 -0.52 5.02 -0.60 -4.93 118.16 114.02 3i04 n LYS 573 Ca -0.00 -1.51 -0.40 0.00 -2.02 0.00 0.00 58.31 54.37 3i04 n LYS 573 Cb 0.05 -1.47 -0.05 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 -2.16 4.79 -1.11 -0.18 1.01 -0.39 -4.88 120.40 117.49 3i04 s VAL 574 Ca 0.26 1.63 -0.20 0.00 0.00 0.00 0.00 61.98 63.67 3i04 s VAL 574 Cb 0.20 -4.12 -0.06 0.00 0.00 0.00 0.00 36.38 32.40 3i04 s VAL 574 CO 0.39 0.33 1.95 -2.65 0.00 0.00 0.00 175.10 175.13 3i04 n PRO 575 N 3.03 2.08 -3.72 2.72 -0.02 -1.26 -4.83 135.00 133.00 3i04 n PRO 575 Ca -0.02 -2.41 -0.17 0.00 -2.02 0.00 0.00 63.50 58.88 3i04 n PRO 575 Cb 0.50 -3.32 -0.17 0.00 -0.02 0.00 0.00 33.50 30.50 3i04 n PRO 575 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 3i04 s PHE 576 N 6.22 -0.01 0.01 6.00 5.36 -1.26 -1.04 117.98 133.26 3i04 s PHE 576 Ca 0.58 0.28 0.05 0.00 -0.96 0.00 0.00 56.93 56.88 3i04 s PHE 576 Cb 0.08 -0.31 -0.02 0.00 -0.34 0.00 0.00 43.02 42.43 3i04 s PHE 576 CO 0.08 -0.16 -0.17 0.08 -1.46 0.00 0.00 175.22 173.59 3i04 s VAL 577 N 1.64 1.33 0.00 3.12 1.01 -0.43 -4.27 120.40 122.81 3i04 s VAL 577 Ca -0.02 -0.85 -0.00 0.00 0.00 0.00 0.00 61.98 61.10 3i04 s VAL 577 Cb -0.12 -1.13 -0.04 0.00 0.00 0.00 0.00 36.38 35.09 3i04 s VAL 577 CO -0.04 0.27 0.09 0.00 0.00 0.00 0.00 175.10 175.42 3i04 s ALA 578 N -0.55 3.60 -0.03 5.51 0.00 -0.57 -0.86 121.76 128.87 3i04 s ALA 578 Ca 0.06 -0.88 -0.00 0.00 0.00 0.00 0.00 51.96 51.14 3i04 s ALA 578 Cb -0.07 -1.59 0.03 0.00 0.00 0.00 0.00 23.12 21.49 3i04 s ALA 578 CO 0.00 0.70 0.03 0.45 0.00 0.00 0.00 175.76 176.94 3i04 s SER 579 N -1.79 0.32 -0.69 0.00 0.15 0.11 0.15 113.70 111.96 3i04 s SER 579 Ca 0.24 0.04 0.04 0.00 0.70 0.00 0.00 55.95 56.96 3i04 s SER 579 Cb -0.12 -0.10 0.17 0.00 -1.71 0.00 0.00 66.02 64.25 3i04 s SER 579 CO 0.15 -0.15 0.48 0.00 1.20 0.00 0.00 173.24 174.91 3i04 s ALA 580 N 1.28 3.76 0.37 5.45 0.00 0.95 -0.16 121.76 133.41 3i04 s ALA 580 Ca -0.06 -3.72 0.35 0.00 0.00 0.00 0.00 51.96 48.52 3i04 s ALA 580 Cb -0.13 -2.24 1.70 0.00 0.00 0.00 0.00 23.12 22.45 3i04 s ALA 580 CO -0.03 -2.09 2.12 -1.35 0.00 0.00 0.00 175.76 174.42 3i04 h PRO 581 N 5.71 0.00 -0.39 0.00 0.11 -1.81 0.21 132.00 135.82 3i04 h PRO 581 Ca 0.10 0.00 -0.28 0.00 0.11 0.00 0.00 66.00 65.93 3i04 h PRO 581 Cb 0.79 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.53 3i04 h PRO 581 CO 0.73 0.05 -0.99 0.39 -0.21 0.00 0.00 178.00 177.96 3i04 n GLU 582 N -3.27 1.83 -1.71 1.05 1.02 -1.26 -3.67 120.64 114.63 3i04 n GLU 582 Ca -0.01 -3.37 -0.43 0.00 -0.02 0.00 0.00 57.16 53.32 3i04 n GLU 582 Cb 0.22 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.15 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 -0.47 1.74 0.02 0.62 0.00 -1.21 -2.50 120.51 118.71 3i04 n ALA 583 Ca 0.16 0.39 0.00 0.00 0.00 0.00 0.00 53.44 53.99 3i04 n ALA 583 Cb 0.89 -2.35 0.00 0.00 0.00 0.00 0.00 19.45 17.99 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 1.84 0.00 -1.55 0.00 0.00 -1.26 -4.71 117.12 111.44 3i04 n MET 584 Ca 0.09 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.48 3i04 n MET 584 Cb 0.34 -0.20 0.06 0.00 0.00 0.00 0.00 33.22 33.42 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 -5.09 5.04 0.49 6.12 1.04 -1.26 -4.89 113.70 115.15 3i04 s SER 585 Ca 0.00 1.80 0.19 0.00 0.48 0.00 0.00 55.95 58.42 3i04 s SER 585 Cb 0.00 -2.52 1.22 0.00 0.10 0.00 0.00 66.02 64.81 3i04 s SER 585 CO 0.00 -1.67 2.02 1.23 0.98 0.00 0.00 173.24 175.80 3i04 h GLY 586 N -0.57 0.24 0.93 7.32 0.00 -1.94 -2.42 103.07 106.64 3i04 h GLY 586 Ca -0.45 -0.07 0.02 0.00 0.00 0.00 0.00 47.33 46.83 3i04 h GLY 586 CO 0.54 0.04 0.37 0.50 0.00 0.00 0.00 176.54 178.00 3i04 h LYS 587 N 0.17 0.73 -0.63 4.80 1.57 -1.83 -1.14 116.57 120.23 3i04 h LYS 587 Ca 0.21 -0.04 -0.08 0.00 -1.87 0.00 0.00 60.65 58.87 3i04 h LYS 587 Cb 0.60 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.72 3i04 h LYS 587 CO -0.03 0.48 0.10 0.00 -0.57 0.00 0.00 179.45 179.43 3i04 h ALA 588 N 1.24 0.84 -0.45 3.86 0.00 -1.81 -1.38 119.26 121.57 3i04 h ALA 588 Ca 0.23 -0.27 0.05 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 588 Cb -0.03 -0.24 -0.05 0.00 0.00 0.00 0.00 17.79 17.47 3i04 h ALA 588 CO -0.08 0.61 0.17 0.00 0.00 0.00 0.00 179.25 179.96 3i04 h ALA 589 N 1.03 0.54 -0.35 0.00 0.00 -1.09 -0.31 119.26 119.08 3i04 h ALA 589 Ca 0.19 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.15 3i04 h ALA 589 Cb 0.44 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 3i04 h ALA 589 CO 0.01 -0.21 0.23 0.00 0.00 0.00 0.00 179.25 179.28 3i04 h ALA 590 N 1.28 0.44 -0.38 0.00 0.00 -0.99 -1.17 119.26 118.45 3i04 h ALA 590 Ca 0.21 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.08 3i04 h ALA 590 Cb 0.19 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 590 CO -0.20 -0.09 0.19 0.82 0.00 0.00 0.00 179.25 179.98 3i04 h ILE 591 N 0.47 1.16 -0.72 0.00 2.04 -1.14 0.61 117.51 119.93 3i04 h ILE 591 Ca 0.13 -0.42 0.00 0.00 1.00 0.00 0.00 64.86 65.57 3i04 h ILE 591 Cb -0.05 0.75 -0.04 0.00 -0.74 0.00 0.00 36.82 36.75 3i04 h ILE 591 CO -0.03 0.16 0.46 1.23 0.00 0.00 0.00 178.15 179.98 3i04 h GLY 592 N 0.48 1.02 1.17 5.37 0.00 -0.97 -1.10 103.07 109.04 3i04 h GLY 592 Ca 0.13 -0.39 -0.17 0.00 0.00 0.00 0.00 47.33 46.90 3i04 h GLY 592 CO -0.02 0.38 -0.46 -0.84 0.00 0.00 0.00 176.54 175.60 3i04 h THR 593 N 0.98 1.27 0.00 4.70 2.02 0.00 -2.79 112.91 119.10 3i04 h THR 593 Ca 0.26 -1.64 -0.08 0.00 0.77 0.00 0.00 66.41 65.73 3i04 h THR 593 Cb -0.09 1.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.80 3i04 h THR 593 CO -0.05 0.54 -0.36 4.11 0.37 0.00 0.00 175.52 180.12 3i04 h TRP 594 N 0.71 0.00 -0.11 3.16 5.08 -0.52 -2.15 115.95 122.12 3i04 h TRP 594 Ca 0.04 0.00 0.01 0.00 1.08 0.00 0.00 58.89 60.03 3i04 h TRP 594 Cb 1.05 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 27.20 3i04 h TRP 594 CO 0.07 0.36 0.01 -1.49 -1.28 0.00 0.00 178.44 176.11 3i04 h TRP 595 N 0.00 0.02 -0.27 0.12 4.06 -1.05 0.55 115.95 119.39 3i04 h TRP 595 Ca -0.00 0.01 0.05 0.00 2.06 0.00 0.00 58.89 61.00 3i04 h TRP 595 Cb 0.78 0.01 -0.04 0.00 -1.00 0.00 0.00 29.16 28.90 3i04 h TRP 595 CO 0.00 0.00 -0.01 0.28 -3.56 0.00 0.00 178.44 175.15 3i04 h VAL 596 N 0.06 0.79 -0.51 1.49 2.07 -1.38 -1.95 116.25 116.81 3i04 h VAL 596 Ca 0.05 -0.02 -0.01 0.00 0.82 0.00 0.00 66.70 67.53 3i04 h VAL 596 Cb 0.05 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.52 3i04 h VAL 596 CO -0.07 0.01 0.26 0.28 0.02 0.00 0.00 177.57 178.07 3i04 h SER 597 N 0.06 0.63 -0.01 0.57 0.02 -1.12 -0.83 113.55 112.87 3i04 h SER 597 Ca 0.13 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 61.03 3i04 h SER 597 Cb 0.17 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.55 3i04 h SER 597 CO -0.23 0.53 0.00 0.18 -1.14 0.00 0.00 176.83 176.17 3i04 n LEU 598 N -4.39 0.24 0.00 5.07 4.77 0.16 -4.90 117.00 117.95 3i04 n LEU 598 Ca 0.04 -0.09 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 3i04 n LEU 598 Cb 0.11 -0.01 0.00 0.00 -2.33 0.00 0.00 43.42 41.19 3i04 n LEU 598 CO 0.37 0.05 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i04 n GLY 599 N 0.93 1.01 3.53 -0.72 0.00 -0.32 -4.70 105.19 104.91 3i04 n GLY 599 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.90 3i04 n GLY 599 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i04 s VAL 600 N -2.00 3.16 0.19 1.61 -7.23 -0.80 -3.49 120.40 111.84 3i04 s VAL 600 Ca 0.00 -1.15 -0.32 0.00 -1.81 0.00 0.00 61.98 58.70 3i04 s VAL 600 Cb 0.00 -2.40 -0.11 0.00 0.56 0.00 0.00 36.38 34.43 3i04 s VAL 600 CO 0.00 0.26 1.65 -2.84 -0.31 0.00 0.00 175.10 173.86 3i04 s PRO 601 N -1.74 4.17 -0.30 4.82 0.02 -1.26 -2.89 135.00 137.82 3i04 s PRO 601 Ca 0.18 2.49 0.02 0.00 0.02 0.00 0.00 61.00 63.71 3i04 s PRO 601 Cb -0.11 -3.11 0.09 0.00 0.02 0.00 0.00 34.50 31.39 3i04 s PRO 601 CO 0.09 -0.68 0.03 0.99 -0.33 0.00 0.00 177.00 177.09 3i04 s THR 602 N 1.14 1.72 0.08 0.99 2.01 0.32 -1.51 115.64 120.39 3i04 s THR 602 Ca 0.72 -1.78 -0.30 0.00 0.31 0.00 0.00 61.69 60.64 3i04 s THR 602 Cb -0.47 -2.18 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 3i04 s THR 602 CO 0.32 -0.47 0.96 -2.28 -0.69 0.00 0.00 174.62 172.46 3i04 s HIS 603 N 1.22 3.77 -0.10 4.92 5.04 0.12 -0.43 115.29 129.84 3i04 s HIS 603 Ca 0.05 1.77 0.02 0.00 -1.54 0.00 0.00 55.06 55.37 3i04 s HIS 603 Cb -0.19 -3.07 0.01 0.00 0.04 0.00 0.00 32.58 29.38 3i04 s HIS 603 CO -0.12 0.16 -0.16 0.08 -2.34 0.00 0.00 174.74 172.35 3i04 s VAL 604 N 0.24 1.56 -2.01 0.89 1.01 -0.65 -0.03 120.40 121.42 3i04 s VAL 604 Ca 0.48 -0.69 0.08 0.00 0.00 0.00 0.00 61.98 61.85 3i04 s VAL 604 Cb -0.23 -1.41 0.23 0.00 0.00 0.00 0.00 36.38 34.98 3i04 s VAL 604 CO 0.29 0.45 1.21 0.61 0.00 0.00 0.00 175.10 177.66 3i04 n GLY 605 N 4.03 0.16 3.02 4.51 0.00 0.06 -2.62 105.19 114.35 3i04 n GLY 605 Ca -0.20 -0.27 -0.10 0.00 0.00 0.00 0.00 46.02 45.45 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 -1.67 0.24 -0.24 2.61 -4.23 -1.26 -4.29 115.64 106.80 3i04 s THR 606 Ca 0.17 -1.15 -0.16 0.00 -1.18 0.00 0.00 61.69 59.38 3i04 s THR 606 Cb 0.09 -0.61 -0.04 0.00 1.34 0.00 0.00 72.50 73.28 3i04 s THR 606 CO 0.12 -0.58 0.39 -0.32 -0.54 0.00 0.00 174.62 173.70 3i04 s MET 607 N -2.02 4.09 0.88 3.99 1.75 -1.26 -4.90 119.30 121.83 3i04 s MET 607 Ca -0.10 0.14 -0.12 0.00 -1.25 0.00 0.00 55.69 54.36 3i04 s MET 607 Cb -0.06 -3.60 0.12 0.00 2.84 0.00 0.00 34.83 34.12 3i04 s MET 607 CO -0.02 -0.17 1.10 -1.25 -0.65 0.00 0.00 175.02 174.02 3i04 s PRO 608 N 1.74 1.44 -1.06 4.11 0.05 -1.26 -4.88 135.00 135.14 3i04 s PRO 608 Ca 0.17 0.67 -0.18 0.00 0.05 0.00 0.00 61.00 61.72 3i04 s PRO 608 Cb -0.15 -1.84 -0.08 0.00 0.05 0.00 0.00 34.50 32.48 3i04 s PRO 608 CO 0.09 -2.08 2.08 -0.35 0.05 0.00 0.00 177.00 176.79 3i04 n PRO 609 N -3.75 2.10 0.00 0.56 -0.04 -1.26 -4.39 135.00 128.22 3i04 n PRO 609 Ca 0.07 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.42 3i04 n PRO 609 Cb 0.56 -3.02 0.00 0.00 -0.04 0.00 0.00 33.50 31.00 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 5.48 0.00 0.32 0.52 0.24 -1.24 -3.71 118.33 119.93 3i04 n VAL 610 Ca 0.51 -0.13 0.21 0.00 -2.04 0.00 0.00 64.34 62.89 3i04 n VAL 610 Cb 0.38 0.59 1.02 0.00 -1.47 0.00 0.00 33.84 34.36 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 -1.76 -2.69 114.58 122.55 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 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 3i04 h GLU 611 CO 0.00 0.01 0.00 0.41 -1.00 0.00 0.00 179.01 178.43 3i04 n GLY 612 N -0.70 -0.85 2.83 -3.84 0.00 -0.21 -4.35 105.19 98.06 3i04 n GLY 612 Ca -0.02 -0.04 -0.28 0.00 0.00 0.00 0.00 46.02 45.68 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 -2.94 3.12 0.38 1.61 0.15 -1.01 -4.89 113.70 110.13 3i04 s SER 613 Ca 0.06 -0.87 0.05 0.00 0.70 0.00 0.00 55.95 55.89 3i04 s SER 613 Cb 0.07 -0.82 0.76 0.00 -1.71 0.00 0.00 66.02 64.32 3i04 s SER 613 CO 0.20 -0.26 2.03 0.44 1.20 0.00 0.00 173.24 176.85 3i04 h ASP 614 N 8.14 0.56 0.65 5.45 3.32 -1.84 -0.74 116.42 131.96 3i04 h ASP 614 Ca -0.18 -0.02 -0.03 0.00 0.02 0.00 0.00 57.03 56.81 3i04 h ASP 614 Cb 1.10 -0.14 0.01 0.00 0.22 0.00 0.00 39.33 40.52 3i04 h ASP 614 CO 0.37 0.42 -0.31 0.25 -1.72 0.00 0.00 179.24 178.25 3i04 h LEU 615 N 0.65 -0.74 -0.79 1.55 6.46 -1.94 -0.98 115.31 119.51 3i04 h LEU 615 Ca 0.17 0.00 0.03 0.00 -0.12 0.00 0.00 57.88 57.97 3i04 h LEU 615 Cb -0.04 0.19 -0.05 0.00 -0.73 0.00 0.00 40.66 40.04 3i04 h LEU 615 CO -0.03 -0.49 0.50 0.40 -0.62 0.00 0.00 178.44 178.20 3i04 h ILE 616 N -0.95 1.12 -0.54 4.05 1.08 -1.86 -1.68 117.51 118.73 3i04 h ILE 616 Ca -0.09 -0.34 0.00 0.00 -0.39 0.00 0.00 64.86 64.05 3i04 h ILE 616 Cb 0.69 0.06 -0.03 0.00 -3.07 0.00 0.00 36.82 34.47 3i04 h ILE 616 CO 0.15 0.18 0.35 0.22 -0.69 0.00 0.00 178.15 178.36 3i04 h TYR 617 N 0.98 0.68 -0.50 1.37 5.03 -1.09 -1.27 116.97 122.18 3i04 h TYR 617 Ca 0.32 0.01 -0.09 0.00 2.58 0.00 0.00 58.73 61.55 3i04 h TYR 617 Cb 0.01 -0.23 -0.02 0.00 1.55 0.00 0.00 36.73 38.04 3i04 h TYR 617 CO -0.03 0.44 -0.05 1.03 -1.32 0.00 0.00 178.16 178.22 3i04 h SER 618 N 0.73 0.85 -0.44 -2.11 0.87 -0.94 -1.13 113.55 111.38 3i04 h SER 618 Ca 0.20 -0.24 0.00 0.00 -1.23 0.00 0.00 61.79 60.52 3i04 h SER 618 Cb -0.07 -0.23 -0.02 0.00 -0.44 0.00 0.00 62.40 61.64 3i04 h SER 618 CO -0.04 0.95 0.28 0.40 -0.53 0.00 0.00 176.83 177.89 3i04 h ILE 619 N 0.80 1.12 -0.18 2.23 2.04 -0.87 0.13 117.51 122.78 3i04 h ILE 619 Ca 0.14 -0.25 -0.13 0.00 1.00 0.00 0.00 64.86 65.62 3i04 h ILE 619 Cb 0.55 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 37.12 3i04 h ILE 619 CO 0.03 0.12 -0.45 -0.07 0.00 0.00 0.00 178.15 177.79 3i04 h LEU 620 N 0.59 0.47 0.00 1.44 3.38 -1.02 0.77 115.31 120.94 3i04 h LEU 620 Ca 0.16 -0.22 -0.01 0.00 0.09 0.00 0.00 57.88 57.90 3i04 h LEU 620 Cb -0.04 -0.13 -0.00 0.00 0.09 0.00 0.00 40.66 40.57 3i04 h LEU 620 CO -0.03 0.86 -1.84 0.35 0.09 0.00 0.00 178.44 177.86 3i04 n THR 621 N -4.00 0.04 0.05 0.22 -2.24 -0.45 -0.56 114.28 107.35 3i04 n THR 621 Ca -0.02 -0.43 0.00 0.00 -2.27 0.00 0.00 64.05 61.34 3i04 n THR 621 Cb 0.53 0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.82 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 -2.15 0.00 -0.01 -0.78 6.02 0.27 -4.56 117.38 116.18 3i04 n GLN 622 Ca -0.04 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.95 3i04 n GLN 622 Cb 0.49 -0.15 0.30 0.00 1.02 0.00 0.00 30.24 31.91 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 1.19 -1.01 5.09 1.08 -1.05 -1.64 117.51 121.18 3i04 h ILE 623 Ca 0.00 -0.75 0.24 0.00 -0.39 0.00 0.00 64.86 63.96 3i04 h ILE 623 Cb 0.00 0.90 -0.12 0.00 -3.07 0.00 0.00 36.82 34.53 3i04 h ILE 623 CO 0.00 0.26 0.61 0.00 -0.69 0.00 0.00 178.15 178.33 3i04 h ALA 624 N 1.51 1.85 0.00 1.87 0.00 -1.06 -1.29 119.26 122.13 3i04 h ALA 624 Ca 0.12 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.11 3i04 h ALA 624 Cb 0.30 0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 3i04 h ALA 624 CO 0.01 -0.30 -0.11 0.66 0.00 0.00 0.00 179.25 179.51 3i04 h SER 625 N 0.58 0.00 0.45 0.00 4.64 -0.77 0.21 113.55 118.65 3i04 h SER 625 Ca 0.63 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.64 3i04 h SER 625 Cb 1.23 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3i04 h SER 625 CO -0.44 0.11 -1.50 0.44 -0.87 0.00 0.00 176.83 174.57 3i04 h ASP 626 N 0.00 0.44 0.00 4.97 3.32 -1.34 -3.17 116.42 120.65 3i04 h ASP 626 Ca -0.00 -0.58 -0.14 0.00 0.02 0.00 0.00 57.03 56.33 3i04 h ASP 626 Cb 0.57 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.96 3i04 h ASP 626 CO 0.01 1.48 -0.88 0.58 -1.72 0.00 0.00 179.24 178.71 3i04 h VAL 627 N 0.08 0.78 0.00 -1.35 2.07 -0.98 -3.42 116.25 113.42 3i04 h VAL 627 Ca -0.23 -1.88 -0.35 0.00 0.82 0.00 0.00 66.70 65.05 3i04 h VAL 627 Cb 2.03 1.77 -0.07 0.00 -1.52 0.00 0.00 31.29 33.50 3i04 h VAL 627 CO 0.18 0.26 -2.31 -1.22 0.02 0.00 0.00 177.57 174.50 3i04 n TYR 628 N -4.51 0.00 0.00 1.57 4.02 0.59 -5.01 117.16 113.81 3i04 n TYR 628 Ca -0.22 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.67 3i04 n TYR 628 Cb 0.53 -0.94 0.00 0.00 -0.02 0.00 0.00 39.34 38.91 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 1.88 3.00 3.98 2.72 0.00 -0.32 -4.30 105.19 112.15 3i04 n GLY 629 Ca -0.32 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.82 1.84 -0.20 -0.02 0.00 -1.19 -4.58 107.32 100.35 3i04 s GLY 630 Ca 0.00 -1.46 -0.31 0.00 0.00 0.00 0.00 44.72 42.96 3i04 s GLY 630 CO 0.00 -1.16 1.15 -2.52 0.00 0.00 0.00 173.10 170.57 3i04 s TYR 631 N -2.71 -0.21 0.08 1.90 -0.85 -1.14 -2.16 117.35 112.25 3i04 s TYR 631 Ca 0.58 0.32 -0.26 0.00 -0.52 0.00 0.00 57.07 57.20 3i04 s TYR 631 Cb -0.10 0.48 -0.06 0.00 0.38 0.00 0.00 41.96 42.66 3i04 s TYR 631 CO 0.38 -0.22 0.79 -0.06 -1.52 0.00 0.00 175.55 174.92 3i04 s PHE 632 N -1.39 3.78 -0.44 -3.49 0.40 0.28 -0.52 117.98 116.59 3i04 s PHE 632 Ca 0.04 1.54 -0.10 0.00 -0.60 0.00 0.00 56.93 57.82 3i04 s PHE 632 Cb -0.01 -2.84 0.09 0.00 0.51 0.00 0.00 43.02 40.78 3i04 s PHE 632 CO -0.03 0.31 0.30 0.42 0.70 0.00 0.00 175.22 176.92 3i04 s ILE 633 N -0.26 4.28 -0.32 0.64 1.01 0.43 -4.50 121.20 122.48 3i04 s ILE 633 Ca 0.39 -1.53 -0.17 0.00 0.00 0.00 0.00 60.65 59.34 3i04 s ILE 633 Cb -0.21 -3.70 -0.01 0.00 0.01 0.00 0.00 42.46 38.55 3i04 s ILE 633 CO 0.24 -0.62 0.47 -0.36 0.00 0.00 0.00 174.94 174.68 3i04 s PHE 634 N 1.41 3.21 -0.23 3.97 2.99 -1.26 -1.63 117.98 126.43 3i04 s PHE 634 Ca 0.04 0.24 -0.04 0.00 0.00 0.00 0.00 56.93 57.17 3i04 s PHE 634 Cb -0.24 -2.80 0.13 0.00 0.00 0.00 0.00 43.02 40.10 3i04 s PHE 634 CO 0.01 -0.44 0.41 -2.00 -0.00 0.00 0.00 175.22 173.20 3i04 s GLU 635 N 2.28 0.36 0.26 0.44 2.56 -1.08 -3.57 118.70 119.95 3i04 s GLU 635 Ca 0.17 0.74 0.18 0.00 0.00 0.00 0.00 54.97 56.06 3i04 s GLU 635 Cb -0.16 -0.13 0.07 0.00 2.00 0.00 0.00 34.13 35.92 3i04 s GLU 635 CO 0.12 -0.52 1.31 0.52 -0.56 0.00 0.00 175.26 176.13 3i04 h MET 636 N 8.16 0.00 -6.60 4.30 2.86 -1.82 -3.37 114.93 118.47 3i04 h MET 636 Ca -0.19 0.00 -0.57 0.00 -2.06 0.00 0.00 59.70 56.89 3i04 h MET 636 Cb 1.14 0.00 -0.08 0.00 0.06 0.00 0.00 31.60 32.73 3i04 h MET 636 CO 0.22 0.30 0.87 0.34 1.06 0.00 0.00 176.91 179.70 3i04 s ASP 637 N -6.15 6.62 0.55 1.22 3.68 -1.26 -4.91 116.67 116.42 3i04 s ASP 637 Ca 0.03 0.43 0.29 0.00 2.13 0.00 0.00 52.55 55.43 3i04 s ASP 637 Cb 0.07 -2.53 1.58 0.00 -1.45 0.00 0.00 42.92 40.59 3i04 s ASP 637 CO 0.75 -1.20 2.12 1.55 0.13 0.00 0.00 175.17 178.52 3i04 h PRO 638 N 9.15 0.00 -0.00 4.34 0.13 -1.91 0.15 132.00 143.85 3i04 h PRO 638 Ca -0.23 0.00 -0.17 0.00 -0.87 0.00 0.00 66.00 64.73 3i04 h PRO 638 Cb 1.06 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.21 3i04 h PRO 638 CO 1.11 0.09 -0.67 0.37 -0.23 0.00 0.00 178.00 178.66 3i04 h GLN 639 N 0.00 0.46 -0.58 0.86 5.75 -1.91 -1.75 115.11 117.94 3i04 h GLN 639 Ca -0.00 -0.49 0.02 0.00 -0.15 0.00 0.00 58.65 58.03 3i04 h GLN 639 Cb 0.26 0.14 -0.03 0.00 1.07 0.00 0.00 27.48 28.92 3i04 h GLN 639 CO 0.01 1.14 0.37 0.28 -2.65 0.00 0.00 178.83 177.98 3i04 h VAL 640 N -0.02 1.10 -0.48 2.39 2.07 -1.79 -2.72 116.25 116.79 3i04 h VAL 640 Ca -0.08 -0.25 0.07 0.00 0.82 0.00 0.00 66.70 67.25 3i04 h VAL 640 Cb 1.38 0.30 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3i04 h VAL 640 CO 0.13 0.13 0.17 0.00 0.02 0.00 0.00 177.57 178.03 3i04 h ALA 641 N 1.24 0.58 -0.52 1.67 0.00 -0.71 -0.78 119.26 120.74 3i04 h ALA 641 Ca 0.23 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3i04 h ALA 641 Cb -0.02 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 3i04 h ALA 641 CO -0.08 -0.22 0.10 0.00 0.00 0.00 0.00 179.25 179.05 3i04 h ALA 642 N 1.32 1.19 -0.71 0.00 0.00 -1.19 0.49 119.26 120.36 3i04 h ALA 642 Ca 0.23 -0.22 -0.06 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 642 Cb 0.24 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3i04 h ALA 642 CO -0.24 0.55 0.20 -0.09 0.00 0.00 0.00 179.25 179.67 3i04 h ARG 643 N 0.78 1.13 -0.19 0.00 2.43 -1.02 -1.58 114.38 115.92 3i04 h ARG 643 Ca 0.17 -0.25 -0.14 0.00 -0.81 0.00 0.00 59.98 58.95 3i04 h ARG 643 Cb 0.33 -0.16 -0.01 0.00 -0.42 0.00 0.00 29.97 29.71 3i04 h ARG 643 CO 0.00 0.98 -0.46 0.87 -1.51 0.00 0.00 179.97 179.85 3i04 h LYS 644 N 1.07 0.47 -0.32 0.20 1.57 -0.71 -1.49 116.57 117.36 3i04 h LYS 644 Ca 0.23 -0.26 -0.04 0.00 -1.87 0.00 0.00 60.65 58.71 3i04 h LYS 644 Cb 0.33 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.65 3i04 h LYS 644 CO -0.00 0.84 0.06 0.82 -0.57 0.00 0.00 179.45 180.59 3i04 h ILE 645 N 0.38 1.23 -0.35 1.86 2.04 -0.70 -1.98 117.51 120.00 3i04 h ILE 645 Ca 0.02 -0.79 -0.07 0.00 1.00 0.00 0.00 64.86 65.03 3i04 h ILE 645 Cb 0.95 1.14 -0.02 0.00 -0.74 0.00 0.00 36.82 38.16 3i04 h ILE 645 CO 0.08 0.26 -0.06 -0.07 0.00 0.00 0.00 178.15 178.37 3i04 h LEU 646 N 0.35 0.55 -0.91 1.44 3.38 -1.16 -1.59 115.31 117.36 3i04 h LEU 646 Ca 0.10 -0.13 -0.01 0.00 0.09 0.00 0.00 57.88 57.93 3i04 h LEU 646 Cb 0.33 -0.15 -0.04 0.00 0.09 0.00 0.00 40.66 40.89 3i04 h LEU 646 CO 0.00 0.66 0.54 -0.78 0.09 0.00 0.00 178.44 178.95 3i04 h ASP 647 N 0.54 1.10 -0.24 -0.43 -0.00 -1.17 -0.19 116.42 116.02 3i04 h ASP 647 Ca 0.11 -0.08 -0.16 0.00 -0.00 0.00 0.00 57.03 56.90 3i04 h ASP 647 Cb 0.44 -0.28 -0.00 0.00 -0.00 0.00 0.00 39.33 39.48 3i04 h ASP 647 CO 0.02 0.86 -0.46 0.00 -0.00 0.00 0.00 179.24 179.66 3i04 h ALA 648 N 1.29 0.61 -0.35 -0.78 0.00 -0.74 -0.29 119.26 119.00 3i04 h ALA 648 Ca 0.33 -0.48 -0.04 0.00 0.00 0.00 0.00 54.91 54.72 3i04 h ALA 648 Cb -0.04 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3i04 h ALA 648 CO -0.06 0.68 0.07 -0.07 0.00 0.00 0.00 179.25 179.87 3i04 h LEU 649 N 0.64 0.54 -0.67 0.00 3.38 -1.21 -2.87 115.31 115.13 3i04 h LEU 649 Ca 0.04 -0.24 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 3i04 h LEU 649 Cb 1.03 -0.14 -0.03 0.00 0.09 0.00 0.00 40.66 41.61 3i04 h LEU 649 CO 0.10 0.65 0.35 -0.08 0.09 0.00 0.00 178.44 179.55 3i04 h GLU 650 N 0.42 0.95 -0.75 1.13 4.22 -0.95 0.50 114.58 120.10 3i04 h GLU 650 Ca 0.11 -0.12 0.15 0.00 0.08 0.00 0.00 59.36 59.57 3i04 h GLU 650 Cb 0.32 -0.18 -0.10 0.00 0.50 0.00 0.00 28.75 29.29 3i04 h GLU 650 CO 0.00 0.73 0.27 -0.92 -2.18 0.00 0.00 179.01 176.92 3i04 h TYR 651 N 0.93 0.46 0.05 0.92 3.20 -1.03 0.48 116.97 121.98 3i04 h TYR 651 Ca 0.23 0.04 -0.21 0.00 3.14 0.00 0.00 58.73 61.94 3i04 h TYR 651 Cb 0.07 -0.09 0.02 0.00 1.54 0.00 0.00 36.73 38.27 3i04 h TYR 651 CO -0.00 0.02 -0.84 0.00 -1.64 0.00 0.00 178.16 175.71 3i04 h ARG 652 N 0.40 0.48 -0.73 1.82 3.08 -0.98 -1.20 114.38 117.25 3i04 h ARG 652 Ca 0.42 -0.58 -0.02 0.00 0.07 0.00 0.00 59.98 59.87 3i04 h ARG 652 Cb 0.66 0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.86 3i04 h ARG 652 CO -0.43 1.22 0.37 1.79 -1.07 0.00 0.00 179.97 181.85 3i04 h THR 653 N -0.00 1.23 0.30 2.04 1.35 -0.90 -1.31 112.91 115.62 3i04 h THR 653 Ca -0.12 -0.61 -0.01 0.00 -0.55 0.00 0.00 66.41 65.12 3i04 h THR 653 Cb 1.55 0.30 -0.01 0.00 -1.73 0.00 0.00 68.15 68.26 3i04 h THR 653 CO 0.16 0.26 -0.22 -0.25 -0.25 0.00 0.00 175.52 175.22 3i04 h TRP 654 N 1.01 -0.58 -0.35 4.73 7.01 -0.84 -1.86 115.95 125.06 3i04 h TRP 654 Ca 0.25 -0.00 -0.10 0.00 2.11 0.00 0.00 58.89 61.15 3i04 h TRP 654 Cb 0.08 0.22 -0.02 0.00 -2.10 0.00 0.00 29.16 27.34 3i04 h TRP 654 CO 0.00 -0.34 -0.19 -0.22 -2.79 0.00 0.00 178.44 174.91 3i04 h LYS 655 N -0.52 0.65 -0.42 2.65 3.64 -1.10 -1.11 116.57 120.36 3i04 h LYS 655 Ca -0.02 -0.23 -0.05 0.00 -1.27 0.00 0.00 60.65 59.07 3i04 h LYS 655 Cb 0.45 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 3i04 h LYS 655 CO -0.00 0.80 0.06 1.25 -2.27 0.00 0.00 179.45 179.29 3i04 h LEU 656 N 0.58 0.67 -0.38 5.20 6.46 -1.21 0.71 115.31 127.34 3i04 h LEU 656 Ca 0.09 -0.27 -0.03 0.00 -0.12 0.00 0.00 57.88 57.56 3i04 h LEU 656 Cb 0.64 -0.18 -0.02 0.00 -0.73 0.00 0.00 40.66 40.38 3i04 h LEU 656 CO 0.05 0.77 0.14 1.23 -0.62 0.00 0.00 178.44 180.00 3i04 h GLY 657 N 0.55 0.63 0.97 3.75 0.00 -1.03 -1.41 103.07 106.53 3i04 h GLY 657 Ca 0.13 -0.35 -0.01 0.00 0.00 0.00 0.00 47.33 47.09 3i04 h GLY 657 CO 0.01 0.33 -0.11 -2.08 0.00 0.00 0.00 176.54 174.69 3i04 h VAL 658 N 0.47 0.80 -0.51 4.60 2.07 -1.08 -2.15 116.25 120.45 3i04 h VAL 658 Ca 0.13 -0.06 0.07 0.00 0.82 0.00 0.00 66.70 67.66 3i04 h VAL 658 Cb 0.22 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.76 3i04 h VAL 658 CO -0.01 0.01 0.17 0.45 0.02 0.00 0.00 177.57 178.21 3i04 h HIS 659 N -0.33 0.29 -0.82 1.57 -0.00 -0.78 -1.29 115.15 113.78 3i04 h HIS 659 Ca -0.03 0.03 0.04 0.00 -0.00 0.00 0.00 60.37 60.41 3i04 h HIS 659 Cb 0.25 -0.05 -0.05 0.00 -0.00 0.00 0.00 27.41 27.56 3i04 h HIS 659 CO -0.05 0.08 0.52 0.87 -0.00 0.00 0.00 177.93 179.34 3i04 h LYS 660 N 0.33 0.95 -0.54 2.45 1.57 -1.21 -0.18 116.57 119.95 3i04 h LYS 660 Ca 0.25 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.92 3i04 h LYS 660 Cb 0.29 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 3i04 h LYS 660 CO -0.27 0.63 0.14 0.93 -0.57 0.00 0.00 179.45 180.31 3i04 h GLU 661 N 0.98 0.86 -0.35 3.15 5.08 -1.06 -2.11 114.58 121.14 3i04 h GLU 661 Ca 0.34 -0.20 -0.04 0.00 -1.00 0.00 0.00 59.36 58.46 3i04 h GLU 661 Cb 0.07 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.19 3i04 h GLU 661 CO -0.13 0.81 0.08 0.28 -1.00 0.00 0.00 179.01 179.04 3i04 h VAL 662 N 0.76 1.22 -0.98 3.13 2.07 -1.07 0.45 116.25 121.84 3i04 h VAL 662 Ca 0.17 -0.76 0.02 0.00 0.82 0.00 0.00 66.70 66.95 3i04 h VAL 662 Cb 0.33 1.06 -0.05 0.00 -1.52 0.00 0.00 31.29 31.10 3i04 h VAL 662 CO 0.00 0.26 0.65 0.00 0.02 0.00 0.00 177.57 178.50 3i04 h ALA 663 N 0.92 1.32 -0.07 1.67 0.00 -0.92 0.29 119.26 122.47 3i04 h ALA 663 Ca 0.11 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 663 Cb 0.31 -0.38 -0.00 0.00 0.00 0.00 0.00 17.79 17.71 3i04 h ALA 663 CO 0.00 0.61 -0.02 1.49 0.00 0.00 0.00 179.25 181.34 3i04 h GLU 664 N 1.30 0.14 0.20 0.00 4.81 -1.22 0.19 114.58 120.00 3i04 h GLU 664 Ca 0.37 -0.05 -0.01 0.00 -0.13 0.00 0.00 59.36 59.54 3i04 h GLU 664 Cb -0.10 -0.01 0.00 0.00 0.63 0.00 0.00 28.75 29.27 3i04 h GLU 664 CO -0.09 0.46 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.47 3i04 h ARG 665 N -0.20 -0.26 -0.00 1.92 2.43 -0.61 -2.80 114.38 114.86 3i04 h ARG 665 Ca 0.02 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.21 3i04 h ARG 665 Cb 0.41 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 30.02 3i04 h ARG 665 CO 0.01 -0.16 -0.15 0.66 -1.51 0.00 0.00 179.97 178.82 3i04 n TYR 666 N -5.20 0.00 -3.22 2.20 4.02 0.99 -4.97 117.16 110.98 3i04 n TYR 666 Ca -0.09 0.00 -0.11 0.00 -0.01 0.00 0.00 57.90 57.69 3i04 n TYR 666 Cb 0.14 -0.28 0.04 0.00 -0.02 0.00 0.00 39.34 39.22 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 -1.21 -1.80 -4.30 -0.72 1.02 0.10 -5.04 120.64 108.69 3i04 n GLU 667 Ca 0.11 1.08 -0.17 0.00 -0.02 0.00 0.00 57.16 58.16 3i04 n GLU 667 Cb 0.30 -5.61 -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 -3.23 0.29 0.90 2.62 -4.23 0.44 -5.02 115.64 107.40 3i04 s THR 668 Ca 0.27 -2.00 -0.10 0.00 -1.18 0.00 0.00 61.69 58.68 3i04 s THR 668 Cb -0.04 -2.54 0.14 0.00 1.34 0.00 0.00 72.50 71.40 3i04 s THR 668 CO 0.76 0.00 1.15 -0.54 -0.54 0.00 0.00 174.62 175.45 3i04 s LYS 669 N -3.91 1.14 0.13 3.99 1.02 -1.26 -4.64 119.74 116.21 3i04 s LYS 669 Ca 0.37 1.55 -0.31 0.00 0.02 0.00 0.00 55.97 57.60 3i04 s LYS 669 Cb 0.06 -1.74 -0.08 0.00 -0.52 0.00 0.00 37.83 35.55 3i04 s LYS 669 CO 0.16 -2.54 1.35 -1.17 -0.92 0.00 0.00 175.35 172.23 3i04 s LEU 670 N -6.49 4.38 0.19 3.17 2.96 -1.26 -4.78 118.68 116.86 3i04 s LEU 670 Ca 0.67 2.32 -0.33 0.00 -0.22 0.00 0.00 54.13 56.57 3i04 s LEU 670 Cb -0.23 -3.59 -0.14 0.00 0.50 0.00 0.00 46.19 42.73 3i04 s LEU 670 CO 0.57 -0.61 1.42 0.00 -1.32 0.00 0.00 176.35 176.42 3i04 n GLN 672 N 2.46 2.37 -1.70 0.00 1.13 -1.26 -4.96 117.38 115.42 3i04 n GLN 672 Ca 0.14 -2.15 -0.42 0.00 -1.94 0.00 0.00 57.00 52.63 3i04 n GLN 672 Cb 0.29 -1.48 -0.00 0.00 0.11 0.00 0.00 30.24 29.15 3i04 n GLN 672 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i04 n GLY 673 N 1.38 0.59 0.00 1.08 0.00 -1.26 -4.94 105.19 102.04 3i04 n GLY 673 Ca 0.17 0.30 0.06 0.00 0.00 0.00 0.00 46.02 46.56 3i04 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60