#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 3.53 0.21 0.54 0.52 -1.26 -4.97 118.95 117.52 3i04 s ARG 3 Ca 0.00 -0.58 -0.00 0.00 -0.52 0.00 0.00 55.73 54.63 3i04 s ARG 3 Cb 0.00 -2.93 -0.04 0.00 0.52 0.00 0.00 34.95 32.50 3i04 s ARG 3 CO 0.00 0.07 0.39 -0.06 0.02 0.00 0.00 175.30 175.72 3i04 s PHE 4 N 0.79 3.48 0.23 -0.53 0.40 -1.26 -5.00 117.98 116.09 3i04 s PHE 4 Ca -0.02 0.32 -0.08 0.00 -0.60 0.00 0.00 56.93 56.56 3i04 s PHE 4 Cb -0.15 -1.84 0.24 0.00 0.51 0.00 0.00 43.02 41.79 3i04 s PHE 4 CO 0.02 0.38 1.89 -0.09 0.70 0.00 0.00 175.22 178.11 3i04 h ARG 5 N 1.94 1.07 -6.40 0.44 2.43 -1.94 -3.37 114.38 108.55 3i04 h ARG 5 Ca -0.48 -0.06 -0.55 0.00 -0.81 0.00 0.00 59.98 58.08 3i04 h ARG 5 Cb 1.19 -0.24 -0.06 0.00 -0.42 0.00 0.00 29.97 30.44 3i04 h ARG 5 CO 0.68 0.71 1.10 0.34 -1.51 0.00 0.00 179.97 181.28 3i04 s ASP 6 N -5.91 6.13 0.54 -3.80 -1.08 -1.26 -4.87 116.67 106.41 3i04 s ASP 6 Ca -0.13 0.26 0.33 0.00 -0.52 0.00 0.00 52.55 52.49 3i04 s ASP 6 Cb 0.17 -2.55 1.41 0.00 -1.46 0.00 0.00 42.92 40.49 3i04 s ASP 6 CO 0.79 -1.71 2.01 -0.07 0.52 0.00 0.00 175.17 176.71 3i04 h LEU 7 N 13.10 0.00 -0.00 -1.34 3.38 -2.02 0.27 115.31 128.70 3i04 h LEU 7 Ca -0.27 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.70 3i04 h LEU 7 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 3i04 h LEU 7 CO 1.18 0.05 0.00 -1.54 0.09 0.00 0.00 178.44 178.22 3i04 n SER 8 N -3.19 0.00 -4.50 -0.43 3.41 -1.26 -4.66 113.62 102.99 3i04 n SER 8 Ca -0.00 0.50 -0.43 0.00 -0.26 0.00 0.00 58.87 58.68 3i04 n SER 8 Cb 0.30 -0.50 -0.05 0.00 -0.26 0.00 0.00 64.21 63.69 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 -3.00 2.93 0.22 7.33 5.65 0.95 -5.01 115.29 124.35 3i04 s HIS 9 Ca 0.13 -0.13 0.01 0.00 0.25 0.00 0.00 55.06 55.32 3i04 s HIS 9 Cb 0.17 -3.77 -0.00 0.00 -1.18 0.00 0.00 32.58 27.80 3i04 s HIS 9 CO 0.48 -1.14 0.03 0.27 -0.65 0.00 0.00 174.74 173.73 3i04 n ASN 10 N 6.83 1.92 0.00 9.88 0.23 -1.26 -4.53 115.26 128.33 3i04 n ASN 10 Ca -0.01 -2.03 0.13 0.00 -0.53 0.00 0.00 54.58 52.15 3i04 n ASN 10 Cb 0.47 0.31 0.67 0.00 -2.08 0.00 0.00 39.78 39.16 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 -2.63 3.67 0.82 0.00 1.81 -1.26 -4.68 118.95 116.68 3i04 s ARG 12 Ca 0.24 0.02 -0.11 0.00 -1.72 0.00 0.00 55.73 54.16 3i04 s ARG 12 Cb 0.18 -2.81 0.09 0.00 -0.45 0.00 0.00 34.95 31.95 3i04 s ARG 12 CO 0.43 0.44 1.09 -1.25 -0.68 0.00 0.00 175.30 175.33 3i04 s PRO 13 N -2.63 1.84 1.31 3.54 0.04 -1.23 -4.98 135.00 132.89 3i04 s PRO 13 Ca 0.42 1.08 -0.21 0.00 0.04 0.00 0.00 61.00 62.33 3i04 s PRO 13 Cb -0.12 -1.86 0.33 0.00 0.04 0.00 0.00 34.50 32.89 3i04 s PRO 13 CO 0.23 -1.91 1.01 -1.54 0.04 0.00 0.00 177.00 174.83 3i04 s SER 14 N -3.35 -0.10 -0.00 6.66 1.04 -1.26 -4.93 113.70 111.74 3i04 s SER 14 Ca 0.62 0.82 0.03 0.00 0.48 0.00 0.00 55.95 57.90 3i04 s SER 14 Cb -0.18 -1.16 0.10 0.00 0.10 0.00 0.00 66.02 64.88 3i04 s SER 14 CO 0.57 -4.77 1.03 -0.62 0.98 0.00 0.00 173.24 170.43 3i04 n GLU 15 N -5.23 1.30 -1.74 4.02 -0.58 -1.26 -4.93 120.64 112.22 3i04 n GLU 15 Ca 0.12 -0.41 -0.36 0.00 -0.42 0.00 0.00 57.16 56.08 3i04 n GLU 15 Cb 0.59 -1.15 0.07 0.00 -0.57 0.00 0.00 31.44 30.38 3i04 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 3i04 s ALA 16 N -1.78 2.36 0.61 0.62 0.00 -1.26 -4.95 121.76 117.36 3i04 s ALA 16 Ca 0.08 1.13 -0.18 0.00 0.00 0.00 0.00 51.96 52.99 3i04 s ALA 16 Cb 0.04 -3.52 -0.03 0.00 0.00 0.00 0.00 23.12 19.61 3i04 s ALA 16 CO 0.05 -1.57 1.19 -2.14 0.00 0.00 0.00 175.76 173.29 3i04 s PRO 17 N -3.45 2.92 0.11 0.00 0.02 -1.26 -4.94 135.00 128.41 3i04 s PRO 17 Ca 0.81 1.75 0.09 0.00 0.02 0.00 0.00 61.00 63.66 3i04 s PRO 17 Cb -0.35 -1.93 -0.19 0.00 0.02 0.00 0.00 34.50 32.05 3i04 s PRO 17 CO 0.39 -1.23 1.21 0.00 -0.33 0.00 0.00 177.00 177.04 3i04 h ARG 18 N 0.72 0.00 -4.99 5.54 2.47 -1.94 -3.43 114.38 112.75 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 1.29 0.00 -0.35 0.00 -1.65 0.00 0.00 29.97 29.26 3i04 h ARG 18 CO 0.55 0.88 -0.83 0.08 0.56 0.00 0.00 179.97 181.20 3i04 s VAL 19 N -2.72 2.17 -0.03 2.04 1.01 -1.26 -4.54 120.40 117.07 3i04 s VAL 19 Ca 0.00 -1.16 -0.30 0.00 0.00 0.00 0.00 61.98 60.53 3i04 s VAL 19 Cb 0.09 -2.04 -0.06 0.00 0.00 0.00 0.00 36.38 34.38 3i04 s VAL 19 CO 0.81 0.34 1.57 -0.04 0.00 0.00 0.00 175.10 177.79 3i04 s MET 20 N 1.24 4.21 -0.98 2.72 -1.94 -0.70 -4.36 119.30 119.49 3i04 s MET 20 Ca 0.00 2.13 -0.13 0.00 -1.71 0.00 0.00 55.69 55.98 3i04 s MET 20 Cb -0.15 -3.82 0.02 0.00 2.01 0.00 0.00 34.83 32.88 3i04 s MET 20 CO -0.10 -0.76 0.64 0.39 -0.01 0.00 0.00 175.02 175.18 3i04 n GLU 21 N 6.49 -1.06 -0.17 2.03 1.02 -1.26 -4.79 120.64 122.90 3i04 n GLU 21 Ca 0.16 0.53 0.29 0.00 -0.02 0.00 0.00 57.16 58.12 3i04 n GLU 21 Cb 0.43 -2.56 0.70 0.00 -0.02 0.00 0.00 31.44 29.99 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 -1.17 0.00 -0.56 3.49 0.13 -1.96 -0.88 132.00 131.05 3i04 h PRO 22 Ca -0.65 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.48 3i04 h PRO 22 Cb 1.39 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.52 3i04 h PRO 22 CO 0.42 0.00 0.00 1.63 -0.23 0.00 0.00 178.00 179.82 3i04 n LYS 23 N -3.87 2.62 -3.29 0.86 4.76 -1.26 -4.58 118.16 113.39 3i04 n LYS 23 Ca 0.19 -2.47 -0.43 0.00 -2.87 0.00 0.00 58.31 52.73 3i04 n LYS 23 Cb 1.09 -1.53 -0.08 0.00 -1.84 0.00 0.00 35.03 32.66 3i04 n LYS 23 CO 0.00 0.00 0.00 1.21 -1.37 0.00 0.00 177.40 177.24 3i04 s ASN 24 N -1.22 6.22 0.52 4.39 3.84 -0.34 -4.95 114.94 123.41 3i04 s ASN 24 Ca 0.43 -0.53 0.32 0.00 0.21 0.00 0.00 52.86 53.29 3i04 s ASN 24 Cb 0.24 -2.24 1.21 0.00 -0.55 0.00 0.00 41.25 39.91 3i04 s ASN 24 CO 0.32 -0.58 1.92 0.08 -2.79 0.00 0.00 177.10 176.06 3i04 h ARG 25 N 8.70 0.00 -2.06 0.43 0.11 -1.87 -3.32 114.38 116.37 3i04 h ARG 25 Ca -0.27 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.43 3i04 h ARG 25 Cb 1.11 0.00 -0.12 0.00 1.11 0.00 0.00 29.97 32.07 3i04 h ARG 25 CO 0.80 0.00 0.25 -0.25 0.10 0.00 0.00 179.97 180.86 3i04 n ASP 26 N -3.06 6.07 -3.67 0.08 8.00 -1.26 -4.78 116.55 117.94 3i04 n ASP 26 Ca 0.01 -2.87 -0.41 0.00 0.71 0.00 0.00 54.79 52.23 3i04 n ASP 26 Cb 0.34 -1.33 -0.00 0.00 -0.02 0.00 0.00 41.12 40.10 3i04 n ASP 26 CO 0.00 0.00 0.00 -2.11 -0.39 0.00 0.00 177.20 174.70 3i04 n ARG 27 N 1.71 4.03 -3.50 -1.24 1.85 -1.25 -4.85 116.66 113.41 3i04 n ARG 27 Ca 0.48 -3.42 -0.15 0.00 -1.00 0.00 0.00 57.85 53.76 3i04 n ARG 27 Cb 0.69 -2.80 -0.05 0.00 -1.05 0.00 0.00 32.46 29.25 3i04 n ARG 27 CO 0.00 0.00 0.00 -0.08 -0.01 0.00 0.00 177.63 177.54 3i04 s THR 28 N -0.14 0.00 -1.26 8.89 -1.32 -1.26 -0.79 115.64 119.76 3i04 s THR 28 Ca 0.47 0.00 0.13 0.00 -1.21 0.00 0.00 61.69 61.08 3i04 s THR 28 Cb 0.14 -1.00 0.29 0.00 -1.51 0.00 0.00 72.50 70.41 3i04 s THR 28 CO -0.04 0.00 1.19 1.33 -2.21 0.00 0.00 174.62 174.89 3i04 n VAL 29 N 0.50 0.70 -2.71 5.08 0.24 -0.58 -4.86 118.33 116.71 3i04 n VAL 29 Ca -0.17 -0.85 -0.43 0.00 -2.04 0.00 0.00 64.34 60.85 3i04 n VAL 29 Cb 0.59 0.73 -0.03 0.00 -1.47 0.00 0.00 33.84 33.67 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 -1.03 6.83 0.30 -1.34 -1.08 -1.26 -4.94 116.67 114.15 3i04 s ASP 30 Ca 0.24 0.87 0.02 0.00 -0.52 0.00 0.00 52.55 53.16 3i04 s ASP 30 Cb 0.13 -2.51 0.47 0.00 -1.46 0.00 0.00 42.92 39.55 3i04 s ASP 30 CO 0.18 -0.87 1.78 -0.65 0.52 0.00 0.00 175.17 176.13 3i04 h PRO 31 N 8.25 0.55 -0.95 4.34 0.11 -1.97 -2.30 132.00 140.02 3i04 h PRO 31 Ca -0.22 -0.16 0.07 0.00 0.11 0.00 0.00 66.00 65.81 3i04 h PRO 31 Cb 1.07 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 32.05 3i04 h PRO 31 CO 1.01 0.66 0.60 0.00 -0.21 0.00 0.00 178.00 180.07 3i04 h ALA 32 N 1.37 1.34 -0.24 -0.75 0.00 -1.94 -1.57 119.26 117.47 3i04 h ALA 32 Ca 0.09 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 32 Cb 0.51 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3i04 h ALA 32 CO 0.03 0.35 -0.16 0.28 0.00 0.00 0.00 179.25 179.75 3i04 h VAL 33 N 1.07 1.31 -0.69 0.00 2.07 -1.86 -1.24 116.25 116.92 3i04 h VAL 33 Ca 0.42 -1.27 0.15 0.00 0.82 0.00 0.00 66.70 66.82 3i04 h VAL 33 Cb 0.22 1.62 -0.11 0.00 -1.52 0.00 0.00 31.29 31.51 3i04 h VAL 33 CO -0.19 0.39 0.12 -0.07 0.02 0.00 0.00 177.57 177.84 3i04 h LEU 34 N 0.24 -0.07 -0.57 2.57 3.38 -1.22 0.29 115.31 119.93 3i04 h LEU 34 Ca 0.05 0.15 0.01 0.00 0.09 0.00 0.00 57.88 58.17 3i04 h LEU 34 Cb 0.68 0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.62 3i04 h LEU 34 CO 0.04 -0.06 0.37 -0.33 0.09 0.00 0.00 178.44 178.56 3i04 h GLU 35 N 0.22 0.74 -0.04 1.13 5.08 -1.09 -3.08 114.58 117.54 3i04 h GLU 35 Ca 0.38 -0.04 -0.12 0.00 -1.00 0.00 0.00 59.36 58.58 3i04 h GLU 35 Cb 0.63 -0.17 -0.01 0.00 0.50 0.00 0.00 28.75 29.70 3i04 h GLU 35 CO -0.51 0.49 -0.51 0.52 -1.00 0.00 0.00 179.01 178.00 3i04 h MET 36 N 0.76 0.12 -0.20 2.33 2.86 -0.30 -2.38 114.93 118.12 3i04 h MET 36 Ca 0.21 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.81 3i04 h MET 36 Cb -0.07 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.58 3i04 h MET 36 CO -0.06 0.60 0.14 -0.07 1.06 0.00 0.00 176.91 178.59 3i04 h LEU 37 N 0.09 0.14 0.10 1.22 3.38 -0.38 0.12 115.31 119.99 3i04 h LEU 37 Ca 0.00 -0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 3i04 h LEU 37 Cb 0.94 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.66 3i04 h LEU 37 CO 0.07 0.10 -0.05 0.58 0.09 0.00 0.00 178.44 179.23 3i04 h VAL 38 N 0.17 0.96 -0.34 1.22 2.07 -1.38 -2.29 116.25 116.66 3i04 h VAL 38 Ca 0.09 -0.22 -0.03 0.00 0.82 0.00 0.00 66.70 67.36 3i04 h VAL 38 Cb 0.13 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3i04 h VAL 38 CO -0.01 0.05 0.08 0.50 0.02 0.00 0.00 177.57 178.21 3i04 h LYS 39 N -0.23 0.54 -0.87 1.57 3.64 -1.37 -0.43 116.57 119.41 3i04 h LYS 39 Ca -0.01 -0.13 -0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3i04 h LYS 39 Cb 0.19 -0.07 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 3i04 h LYS 39 CO 0.02 0.60 0.53 0.66 -2.27 0.00 0.00 179.45 178.99 3i04 h SER 40 N 0.39 1.04 -0.46 4.20 4.64 -0.83 0.47 113.55 123.01 3i04 h SER 40 Ca 0.11 -0.06 -0.01 0.00 -0.47 0.00 0.00 61.79 61.35 3i04 h SER 40 Cb 0.30 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 62.11 3i04 h SER 40 CO 0.00 0.80 0.25 0.50 -0.87 0.00 0.00 176.83 177.51 3i04 h LYS 41 N 1.19 0.63 -0.92 4.77 3.64 -1.15 -1.56 116.57 123.18 3i04 h LYS 41 Ca 0.31 -0.07 0.00 0.00 -1.27 0.00 0.00 60.65 59.62 3i04 h LYS 41 Cb -0.06 -0.13 -0.05 0.00 -0.41 0.00 0.00 32.23 31.59 3i04 h LYS 41 CO -0.06 0.50 0.58 -0.44 -2.27 0.00 0.00 179.45 177.76 3i04 h ASP 42 N 0.60 1.08 0.00 4.20 3.45 0.37 -2.06 116.42 124.06 3i04 h ASP 42 Ca 0.16 -0.05 0.00 0.00 0.43 0.00 0.00 57.03 57.57 3i04 h ASP 42 Cb 0.04 -0.27 0.00 0.00 -0.56 0.00 0.00 39.33 38.54 3i04 h ASP 42 CO -0.03 0.81 0.00 0.47 -1.57 0.00 0.00 179.24 178.92 3i04 n ASP 43 N -4.37 0.00 -3.17 6.45 8.00 0.15 -4.90 116.55 118.70 3i04 n ASP 43 Ca 0.10 -1.10 -0.22 0.00 0.71 0.00 0.00 54.79 54.29 3i04 n ASP 43 Cb 0.04 0.00 0.01 0.00 -0.02 0.00 0.00 41.12 41.15 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 -0.92 -3.66 -3.42 -1.24 5.02 -0.77 -4.98 118.16 108.19 3i04 n LYS 44 Ca 0.19 0.60 -0.37 0.00 -2.02 0.00 0.00 58.31 56.71 3i04 n LYS 44 Cb 0.09 -5.34 -0.07 0.00 -0.02 0.00 0.00 35.03 29.69 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 -2.96 5.25 -0.00 -0.18 1.01 -0.64 -5.05 120.40 117.82 3i04 s VAL 45 Ca 0.33 0.75 -0.26 0.00 0.00 0.00 0.00 61.98 62.80 3i04 s VAL 45 Cb -0.17 -3.73 -0.04 0.00 0.00 0.00 0.00 36.38 32.45 3i04 s VAL 45 CO 0.41 0.35 0.82 -0.63 0.00 0.00 0.00 175.10 176.05 3i04 s ILE 46 N 0.57 4.87 0.37 2.22 1.01 -1.26 -4.57 121.20 124.41 3i04 s ILE 46 Ca 0.21 1.73 0.04 0.00 0.00 0.00 0.00 60.65 62.63 3i04 s ILE 46 Cb -0.14 -4.17 -0.06 0.00 0.01 0.00 0.00 42.46 38.10 3i04 s ILE 46 CO 0.07 0.26 0.05 0.42 0.00 0.00 0.00 174.94 175.74 3i04 s THR 47 N 0.59 1.33 0.46 2.92 -4.23 -1.26 -4.91 115.64 110.55 3i04 s THR 47 Ca 0.43 -2.00 0.25 0.00 -1.18 0.00 0.00 61.69 59.19 3i04 s THR 47 Cb -0.20 -2.75 0.44 0.00 1.34 0.00 0.00 72.50 71.33 3i04 s THR 47 CO 0.23 0.00 1.82 0.00 -0.54 0.00 0.00 174.62 176.14 3i04 h ALA 48 N 1.93 2.53 -0.82 3.99 0.00 -1.98 -0.46 119.26 124.46 3i04 h ALA 48 Ca -0.41 0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.49 3i04 h ALA 48 Cb 1.25 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 19.04 3i04 h ALA 48 CO 0.72 -0.86 0.45 0.74 0.00 0.00 0.00 179.25 180.29 3i04 h PHE 49 N 0.23 1.12 0.15 0.00 -1.00 -1.88 0.58 116.94 116.14 3i04 h PHE 49 Ca 0.52 -0.03 -0.30 0.00 2.81 0.00 0.00 57.97 60.98 3i04 h PHE 49 Cb 1.61 -0.36 0.02 0.00 3.61 0.00 0.00 35.95 40.84 3i04 h PHE 49 CO -0.00 0.78 -1.29 -0.44 -1.61 0.00 0.00 178.31 175.75 3i04 h ASP 50 N 1.14 0.74 -0.18 2.17 3.32 -1.45 -2.98 116.42 119.18 3i04 h ASP 50 Ca 0.29 -0.73 0.01 0.00 0.02 0.00 0.00 57.03 56.62 3i04 h ASP 50 Cb 0.03 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 3i04 h ASP 50 CO -0.05 1.55 0.09 0.03 -1.72 0.00 0.00 179.24 179.15 3i04 h ARG 51 N 0.19 0.19 -0.40 3.56 3.08 -0.98 -1.38 114.38 118.64 3i04 h ARG 51 Ca -0.19 -0.01 0.08 0.00 0.07 0.00 0.00 59.98 59.93 3i04 h ARG 51 Cb 1.98 -0.04 -0.09 0.00 0.08 0.00 0.00 29.97 31.89 3i04 h ARG 51 CO 0.24 0.13 -0.31 0.35 -1.07 0.00 0.00 179.97 179.30 3i04 h PHE 52 N 0.20 -0.86 -0.47 3.04 3.57 0.18 -2.01 116.94 120.58 3i04 h PHE 52 Ca 0.07 0.06 -0.00 0.00 3.53 0.00 0.00 57.97 61.63 3i04 h PHE 52 Cb 0.01 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.17 3i04 h PHE 52 CO -0.09 -0.37 0.28 0.28 -2.23 0.00 0.00 178.31 176.18 3i04 h VAL 53 N -0.24 1.15 -0.26 1.41 2.07 -1.36 -1.94 116.25 117.07 3i04 h VAL 53 Ca 0.18 -0.33 0.08 0.00 0.82 0.00 0.00 66.70 67.44 3i04 h VAL 53 Cb 0.53 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.81 3i04 h VAL 53 CO -0.54 0.15 0.19 0.00 0.02 0.00 0.00 177.57 177.39 3i04 h ALA 54 N 1.13 2.22 0.00 1.67 0.00 -0.92 -1.63 119.26 121.73 3i04 h ALA 54 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 3i04 h ALA 54 Cb -0.00 0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 54 CO -0.03 -0.33 0.00 1.04 0.00 0.00 0.00 179.25 179.93 3i04 n GLN 55 N -4.40 0.10 -2.63 0.00 1.13 -0.73 -4.90 117.38 105.95 3i04 n GLN 55 Ca 0.03 0.22 -0.40 0.00 -1.94 0.00 0.00 57.00 54.91 3i04 n GLN 55 Cb 0.35 -1.66 -0.05 0.00 0.11 0.00 0.00 30.24 28.99 3i04 n GLN 55 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3i04 s GLN 56 N -3.10 4.73 0.16 -1.09 -1.52 -0.61 -3.32 119.66 114.90 3i04 s GLN 56 Ca 0.09 1.61 -0.24 0.00 -1.95 0.00 0.00 55.36 54.87 3i04 s GLN 56 Cb 0.13 -3.19 -0.08 0.00 -0.22 0.00 0.00 33.01 29.65 3i04 s GLN 56 CO 0.44 0.36 0.74 -1.25 -0.25 0.00 0.00 175.29 175.33 3i04 s PRO 57 N -1.39 4.50 0.38 2.91 0.04 -1.26 -5.08 135.00 135.10 3i04 s PRO 57 Ca 0.44 1.08 -0.12 0.00 0.04 0.00 0.00 61.00 62.43 3i04 s PRO 57 Cb -0.28 -3.23 -0.07 0.00 0.04 0.00 0.00 34.50 30.96 3i04 s PRO 57 CO 0.35 0.57 0.77 -0.65 0.04 0.00 0.00 177.00 178.08 3i04 s GLN 58 N -1.20 3.86 0.00 4.56 -0.21 -1.21 -4.96 119.66 120.50 3i04 s GLN 58 Ca 0.35 0.55 -0.32 0.00 0.02 0.00 0.00 55.36 55.97 3i04 s GLN 58 Cb -0.22 -2.39 -0.10 0.00 1.00 0.00 0.00 33.01 31.29 3i04 s GLN 58 CO 0.25 0.02 1.93 0.00 -2.12 0.00 0.00 175.29 175.36 3i04 h LYS 60 N 9.86 0.75 -0.07 0.00 3.64 -1.98 -1.23 116.57 127.54 3i04 h LYS 60 Ca -0.49 -0.50 0.03 0.00 -1.27 0.00 0.00 60.65 58.42 3i04 h LYS 60 Cb 1.25 0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 33.11 3i04 h LYS 60 CO 0.94 1.13 -0.12 0.82 -2.27 0.00 0.00 179.45 179.95 3i04 h ILE 61 N 0.56 0.68 -0.65 2.00 2.04 -1.98 -1.84 117.51 118.31 3i04 h ILE 61 Ca -0.00 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 65.80 3i04 h ILE 61 Cb 1.19 0.68 -0.03 0.00 -0.74 0.00 0.00 36.82 37.92 3i04 h ILE 61 CO 0.12 0.00 0.17 1.23 0.00 0.00 0.00 178.15 179.67 3i04 h GLY 62 N -0.17 1.11 0.74 5.37 0.00 -1.92 -2.62 103.07 105.57 3i04 h GLY 62 Ca 0.07 -0.69 0.14 0.00 0.00 0.00 0.00 47.33 46.85 3i04 h GLY 62 CO -0.17 0.64 0.49 -1.82 0.00 0.00 0.00 176.54 175.68 3i04 h TYR 63 N 0.96 0.48 -0.01 5.60 3.20 -1.08 -1.92 116.97 124.20 3i04 h TYR 63 Ca 0.21 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.09 3i04 h TYR 63 Cb 0.34 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 38.46 3i04 h TYR 63 CO 0.03 0.19 -0.18 0.39 -1.64 0.00 0.00 178.16 176.95 3i04 n GLU 64 N -4.48 1.31 -0.75 1.82 1.02 -0.71 -4.11 120.64 114.75 3i04 n GLU 64 Ca 0.14 -0.86 0.00 0.00 -0.02 0.00 0.00 57.16 56.42 3i04 n GLU 64 Cb 0.50 -1.48 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 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 1.30 0.55 0.80 0.62 0.00 -0.72 -0.90 105.19 106.84 3i04 n GLY 65 Ca 0.14 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.75 1.53 -3.97 -0.61 -5.35 -1.08 -2.83 119.36 104.29 3i04 n ILE 66 Ca 0.00 -1.33 -0.35 0.00 -0.27 0.00 0.00 62.75 60.80 3i04 n ILE 66 Cb 0.00 0.20 -0.10 0.00 -1.74 0.00 0.00 39.64 38.00 3i04 n ILE 66 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3i04 n ARG 69 N 3.51 2.10 0.00 0.00 1.74 -1.26 -1.21 116.66 121.54 3i04 n ARG 69 Ca -0.18 -3.49 0.12 0.00 -0.77 0.00 0.00 57.85 53.54 3i04 n ARG 69 Cb 0.53 -1.61 0.57 0.00 -1.02 0.00 0.00 32.46 30.93 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 -0.54 0.00 -4.01 -1.55 3.01 -1.26 -4.86 117.46 108.25 3i04 n PHE 70 Ca 0.21 0.00 -0.11 0.00 1.01 0.00 0.00 57.45 58.56 3i04 n PHE 70 Cb 0.89 -0.43 -0.04 0.00 -0.01 0.00 0.00 39.48 39.89 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 -0.46 1.13 0.16 0.00 2.81 -1.26 -2.41 117.12 117.09 3i04 n MET 72 Ca -0.02 -0.20 0.05 0.00 -1.81 0.00 0.00 57.70 55.72 3i04 n MET 72 Cb 0.62 -1.24 0.15 0.00 -0.71 0.00 0.00 33.22 32.03 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 3.53 0.79 -3.02 3.04 0.00 -1.98 -3.46 119.26 118.15 3i04 h ALA 73 Ca 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 54.91 54.53 3i04 h ALA 73 Cb 0.08 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.81 3i04 h ALA 73 CO 0.00 0.52 0.00 0.41 0.00 0.00 0.00 179.25 180.18 3i04 n GLY 74 N 0.89 -0.29 3.78 0.00 0.00 -1.01 -4.83 105.19 103.72 3i04 n GLY 74 Ca 0.01 -1.71 -0.41 0.00 0.00 0.00 0.00 46.02 43.91 3i04 n GLY 74 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3i04 s PRO 75 N 0.16 4.15 0.10 1.61 0.02 -1.26 -5.08 135.00 134.70 3i04 s PRO 75 Ca 0.00 2.52 0.08 0.00 0.02 0.00 0.00 61.00 63.61 3i04 s PRO 75 Cb 0.00 -2.99 -0.04 0.00 0.02 0.00 0.00 34.50 31.49 3i04 s PRO 75 CO 0.00 -0.49 -0.13 0.00 -0.33 0.00 0.00 177.00 176.06 3i04 s ARG 77 N -2.12 0.41 -0.45 0.00 1.70 -1.26 0.15 118.95 117.39 3i04 s ARG 77 Ca 0.20 -0.68 -0.29 0.00 -0.47 0.00 0.00 55.73 54.49 3i04 s ARG 77 Cb -0.11 0.15 0.02 0.00 -0.57 0.00 0.00 34.95 34.45 3i04 s ARG 77 CO 0.12 -0.08 1.23 0.42 -1.08 0.00 0.00 175.30 175.90 3i04 s ILE 78 N -1.93 4.12 -0.49 4.99 -1.09 -0.68 -4.85 121.20 121.26 3i04 s ILE 78 Ca -0.11 1.15 0.22 0.00 -2.23 0.00 0.00 60.65 59.68 3i04 s ILE 78 Cb -0.06 -4.46 -0.20 0.00 -1.58 0.00 0.00 42.46 36.16 3i04 s ILE 78 CO -0.02 -0.90 0.84 0.29 -1.23 0.00 0.00 174.94 173.91 3i04 n LYS 79 N 7.87 0.36 -3.63 2.79 5.02 0.73 -5.02 118.16 126.28 3i04 n LYS 79 Ca 0.13 -0.05 -0.09 0.00 -2.02 0.00 0.00 58.31 56.29 3i04 n LYS 79 Cb 0.49 -1.57 -0.02 0.00 -0.02 0.00 0.00 35.03 33.91 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 -3.27 -1.51 -0.64 7.82 0.00 -1.19 -4.99 121.76 117.98 3i04 s ALA 80 Ca 0.01 0.24 0.24 0.00 0.00 0.00 0.00 51.96 52.45 3i04 s ALA 80 Cb 0.14 0.77 0.37 0.00 0.00 0.00 0.00 23.12 24.40 3i04 s ALA 80 CO 0.85 -0.89 1.35 0.25 0.00 0.00 0.00 175.76 177.31 3i04 n THR 81 N -0.40 0.37 -4.14 0.00 -2.24 -1.26 -4.02 114.28 102.60 3i04 n THR 81 Ca -0.10 -0.28 -0.14 0.00 -2.27 0.00 0.00 64.05 61.27 3i04 n THR 81 Cb 0.62 -0.16 -0.07 0.00 -2.10 0.00 0.00 70.33 68.62 3i04 n THR 81 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3i04 s ASP 82 N -4.26 0.64 0.00 3.42 1.47 -1.26 -4.91 116.67 111.77 3i04 s ASP 82 Ca 0.06 -1.40 0.00 0.00 1.18 0.00 0.00 52.55 52.40 3i04 s ASP 82 Cb 0.13 0.55 0.00 0.00 -0.34 0.00 0.00 42.92 43.26 3i04 s ASP 82 CO 0.71 -1.09 0.00 0.61 0.68 0.00 0.00 175.17 176.08 3i04 n GLY 83 N -0.46 -2.19 0.01 2.12 0.00 -1.26 -4.20 105.19 99.22 3i04 n GLY 83 Ca 0.02 -1.53 0.08 0.00 0.00 0.00 0.00 46.02 44.59 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 -0.27 0.02 -0.26 1.61 -0.04 -1.26 -2.58 135.00 132.22 3i04 n PRO 84 Ca 0.00 0.24 0.10 0.00 -0.04 0.00 0.00 63.50 63.81 3i04 n PRO 84 Cb 0.00 -1.54 0.27 0.00 -0.04 0.00 0.00 33.50 32.19 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 0.15 1.66 0.82 0.55 0.00 -1.26 -4.44 105.19 102.67 3i04 n GLY 85 Ca 0.04 -0.65 0.13 0.00 0.00 0.00 0.00 46.02 45.53 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 1.23 2.57 -4.07 1.61 3.41 -1.07 -0.20 113.62 117.11 3i04 n SER 86 Ca 0.20 -1.85 -0.08 0.00 -0.26 0.00 0.00 58.87 56.88 3i04 n SER 86 Cb 0.52 -0.01 -0.10 0.00 -0.26 0.00 0.00 64.21 64.36 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 -1.98 0.72 1.19 4.33 0.52 -1.26 -4.42 118.95 118.05 3i04 s ARG 87 Ca 0.31 -1.23 -0.15 0.00 -0.52 0.00 0.00 55.73 54.14 3i04 s ARG 87 Cb 0.20 0.24 0.28 0.00 0.52 0.00 0.00 34.95 36.20 3i04 s ARG 87 CO 0.31 -0.17 1.03 0.20 0.02 0.00 0.00 175.30 176.69 3i04 s GLY 88 N -2.94 1.52 0.33 -3.53 0.00 -0.54 -4.84 107.32 97.33 3i04 s GLY 88 Ca 0.10 -0.43 0.01 0.00 0.00 0.00 0.00 44.72 44.40 3i04 s GLY 88 CO -0.08 0.34 1.99 -2.22 0.00 0.00 0.00 173.10 173.14 3i04 h ILE 89 N -2.63 1.17 0.00 0.90 2.04 -1.95 -0.55 117.51 116.50 3i04 h ILE 89 Ca -0.55 -0.33 0.00 0.00 1.00 0.00 0.00 64.86 64.98 3i04 h ILE 89 Cb 1.33 0.14 0.00 0.00 -0.74 0.00 0.00 36.82 37.55 3i04 h ILE 89 CO 0.47 0.17 0.00 0.00 0.00 0.00 0.00 178.15 178.79 3i04 n GLY 91 N 0.86 0.41 3.65 0.00 0.00 -0.21 -4.93 105.19 104.96 3i04 n GLY 91 Ca 0.09 0.00 -0.46 0.00 0.00 0.00 0.00 46.02 45.65 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 -1.94 0.76 -1.45 4.61 0.00 -1.26 -4.57 120.51 116.66 3i04 n ALA 92 Ca 0.00 0.44 -0.31 0.00 0.00 0.00 0.00 53.44 53.57 3i04 n ALA 92 Cb 0.00 -2.25 0.07 0.00 0.00 0.00 0.00 19.45 17.27 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 0.47 4.93 0.29 0.00 0.01 -1.26 -1.47 113.70 116.68 3i04 s SER 93 Ca 0.74 1.65 0.03 0.00 1.31 0.00 0.00 55.95 59.68 3i04 s SER 93 Cb -0.71 -2.45 0.61 0.00 0.21 0.00 0.00 66.02 63.68 3i04 s SER 93 CO 0.46 -1.74 1.83 0.00 0.41 0.00 0.00 173.24 174.20 3i04 h ALA 94 N -0.92 1.58 0.00 1.44 0.00 -1.93 -0.60 119.26 118.82 3i04 h ALA 94 Ca -0.44 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.44 3i04 h ALA 94 Cb 1.22 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.83 3i04 h ALA 94 CO 0.55 0.16 -0.26 0.11 0.00 0.00 0.00 179.25 179.81 3i04 h TRP 95 N 0.93 0.00 -0.14 0.00 0.09 -1.92 -1.96 115.95 112.95 3i04 h TRP 95 Ca 0.51 0.00 -0.12 0.00 0.09 0.00 0.00 58.89 59.36 3i04 h TRP 95 Cb 0.58 0.00 0.00 0.00 0.08 0.00 0.00 29.16 29.82 3i04 h TRP 95 CO -0.00 0.26 -0.40 1.15 0.09 0.00 0.00 178.44 179.54 3i04 h THR 96 N 0.00 1.36 -0.26 0.12 2.02 -1.46 -1.49 112.91 113.19 3i04 h THR 96 Ca -0.00 -1.68 -0.01 0.00 0.77 0.00 0.00 66.41 65.49 3i04 h THR 96 Cb 0.48 2.04 -0.01 0.00 -1.74 0.00 0.00 68.15 68.92 3i04 h THR 96 CO 0.03 0.51 0.14 0.40 0.37 0.00 0.00 175.52 176.97 3i04 h ILE 97 N 0.14 1.13 -0.26 3.11 2.04 -1.24 0.66 117.51 123.09 3i04 h ILE 97 Ca -0.01 -0.35 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3i04 h ILE 97 Cb 1.01 0.89 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 3i04 h ILE 97 CO 0.09 0.13 0.14 0.58 0.00 0.00 0.00 178.15 179.08 3i04 h VAL 98 N 0.30 1.01 -0.62 1.67 2.07 -1.20 -1.73 116.25 117.76 3i04 h VAL 98 Ca 0.09 -0.10 0.01 0.00 0.82 0.00 0.00 66.70 67.52 3i04 h VAL 98 Cb 0.08 0.69 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3i04 h VAL 98 CO -0.01 0.05 0.40 0.00 0.02 0.00 0.00 177.57 178.03 3i04 h ALA 99 N 1.13 0.79 -0.55 1.67 0.00 -0.82 -0.97 119.26 120.50 3i04 h ALA 99 Ca 0.11 -0.04 0.10 0.00 0.00 0.00 0.00 54.91 55.08 3i04 h ALA 99 Cb 0.02 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.48 3i04 h ALA 99 CO -0.06 0.20 0.07 0.00 0.00 0.00 0.00 179.25 179.45 3i04 h ARG 100 N 0.82 0.19 -0.04 0.00 3.08 -0.73 0.33 114.38 118.02 3i04 h ARG 100 Ca 0.23 -0.01 -0.02 0.00 0.07 0.00 0.00 59.98 60.25 3i04 h ARG 100 Cb -0.07 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 29.93 3i04 h ARG 100 CO -0.06 0.12 -0.05 -0.91 -1.07 0.00 0.00 179.97 178.00 3i04 h ASN 101 N 0.19 0.12 -0.03 7.04 2.35 -0.32 0.34 115.58 125.27 3i04 h ASN 101 Ca 0.28 -0.50 -0.13 0.00 -0.55 0.00 0.00 56.30 55.40 3i04 h ASN 101 Cb 0.42 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.74 3i04 h ASN 101 CO -0.40 0.60 -0.39 1.62 -1.65 0.00 0.00 177.43 177.20 3i04 h VAL 102 N -0.36 1.30 -0.74 2.81 3.04 -1.28 -3.02 116.25 118.00 3i04 h VAL 102 Ca 0.01 -1.54 0.02 0.00 -1.01 0.00 0.00 66.70 64.18 3i04 h VAL 102 Cb 0.56 1.54 -0.04 0.00 -2.01 0.00 0.00 31.29 31.34 3i04 h VAL 102 CO 0.01 0.48 0.48 1.23 -1.01 0.00 0.00 177.57 178.77 3i04 h GLY 103 N 1.06 1.06 0.81 3.17 0.00 -0.18 -1.73 103.07 107.26 3i04 h GLY 103 Ca 0.04 -0.37 0.04 0.00 0.00 0.00 0.00 47.33 47.04 3i04 h GLY 103 CO 0.07 0.34 0.35 -2.00 0.00 0.00 0.00 176.54 175.31 3i04 h LEU 104 N 0.96 0.56 -0.18 3.11 7.12 -0.20 0.17 115.31 126.86 3i04 h LEU 104 Ca 0.29 0.01 -0.01 0.00 0.13 0.00 0.00 57.88 58.30 3i04 h LEU 104 Cb -0.05 -0.10 -0.01 0.00 -0.53 0.00 0.00 40.66 39.97 3i04 h LEU 104 CO -0.09 0.38 0.07 0.24 -0.13 0.00 0.00 178.44 178.91 3i04 h MET 105 N 0.68 0.27 -0.62 1.25 0.00 -1.36 -1.68 114.93 113.46 3i04 h MET 105 Ca 0.25 -0.05 0.06 0.00 0.00 0.00 0.00 59.70 59.96 3i04 h MET 105 Cb 0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 31.60 31.57 3i04 h MET 105 CO -0.12 0.35 0.33 0.82 0.00 0.00 0.00 176.91 178.29 3i04 h ILE 106 N 0.12 0.94 -0.31 -1.22 2.04 -1.09 -2.30 117.51 115.70 3i04 h ILE 106 Ca 0.06 -0.21 0.05 0.00 1.00 0.00 0.00 64.86 65.76 3i04 h ILE 106 Cb 0.19 0.28 -0.05 0.00 -0.74 0.00 0.00 36.82 36.50 3i04 h ILE 106 CO -0.00 0.11 -0.01 -0.07 0.00 0.00 0.00 178.15 178.18 3i04 h LEU 107 N 0.61 -0.14 -1.11 1.44 3.38 -0.40 -0.39 115.31 118.68 3i04 h LEU 107 Ca 0.28 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.32 3i04 h LEU 107 Cb 0.20 0.13 -0.04 0.00 0.09 0.00 0.00 40.66 41.05 3i04 h LEU 107 CO -0.19 -0.04 0.44 0.71 0.09 0.00 0.00 178.44 179.45 3i04 h THR 108 N 0.08 1.22 -0.27 0.22 1.35 -0.98 0.29 112.91 114.82 3i04 h THR 108 Ca 0.15 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.45 3i04 h THR 108 Cb 0.20 0.15 -0.01 0.00 -1.73 0.00 0.00 68.15 66.77 3i04 h THR 108 CO -0.26 0.24 0.02 1.23 -0.25 0.00 0.00 175.52 176.50 3i04 h GLY 109 N 1.10 0.49 1.00 5.82 0.00 -0.96 -1.50 103.07 109.02 3i04 h GLY 109 Ca 0.28 -0.35 -0.07 0.00 0.00 0.00 0.00 47.33 47.19 3i04 h GLY 109 CO -0.05 0.32 0.07 0.00 0.00 0.00 0.00 176.54 176.88 3i04 h ALA 110 N 0.84 0.69 -0.66 3.60 0.00 -0.84 -1.66 119.26 121.23 3i04 h ALA 110 Ca 0.08 -0.25 -0.00 0.00 0.00 0.00 0.00 54.91 54.73 3i04 h ALA 110 Cb 0.39 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 110 CO 0.01 0.45 0.40 0.00 0.00 0.00 0.00 179.25 180.10 3i04 h ALA 111 N 0.97 0.84 0.23 0.00 0.00 -0.92 0.05 119.26 120.43 3i04 h ALA 111 Ca 0.16 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 54.98 3i04 h ALA 111 Cb 0.43 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 3i04 h ALA 111 CO 0.01 0.32 -0.17 0.00 0.00 0.00 0.00 179.25 179.42 3i04 h ALA 112 N 1.20 -0.39 -0.62 0.00 0.00 -1.09 -0.47 119.26 117.89 3i04 h ALA 112 Ca 0.24 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 112 Cb -0.02 0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.97 3i04 h ALA 112 CO -0.04 -0.73 0.20 0.45 0.00 0.00 0.00 179.25 179.13 3i04 h HIS 113 N -0.41 0.95 -0.03 0.00 3.86 -1.30 -1.80 115.15 116.42 3i04 h HIS 113 Ca -0.01 -0.07 -0.16 0.00 -1.16 0.00 0.00 60.37 58.97 3i04 h HIS 113 Cb 0.36 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 28.53 3i04 h HIS 113 CO -0.11 0.76 -0.68 0.00 0.86 0.00 0.00 177.93 178.75 3i04 h GLU 115 N 0.11 0.87 0.67 0.00 4.22 -0.73 0.38 114.58 120.09 3i04 h GLU 115 Ca -0.01 -0.18 -0.03 0.00 0.08 0.00 0.00 59.36 59.22 3i04 h GLU 115 Cb 1.22 -0.13 -0.00 0.00 0.50 0.00 0.00 28.75 30.34 3i04 h GLU 115 CO 0.10 0.78 -0.39 1.25 -2.18 0.00 0.00 179.01 178.57 3i04 h HIS 116 N 0.84 -1.04 -0.78 0.92 2.76 -1.12 0.14 115.15 116.88 3i04 h HIS 116 Ca 0.18 -0.01 -0.04 0.00 -2.20 0.00 0.00 60.37 58.30 3i04 h HIS 116 Cb 0.30 0.36 -0.03 0.00 1.55 0.00 0.00 27.41 29.59 3i04 h HIS 116 CO 0.02 -0.60 0.31 0.78 -1.30 0.00 0.00 177.93 177.14 3i04 h GLY 117 N -0.99 1.24 1.00 5.26 0.00 -1.08 -1.53 103.07 106.97 3i04 h GLY 117 Ca -0.09 -0.68 -0.00 0.00 0.00 0.00 0.00 47.33 46.57 3i04 h GLY 117 CO 0.10 0.64 0.38 -0.57 0.00 0.00 0.00 176.54 177.08 3i04 h ASN 118 N 1.12 0.73 -0.43 0.19 -0.00 -0.72 -0.55 115.58 115.92 3i04 h ASN 118 Ca 0.26 -0.05 -0.09 0.00 -0.00 0.00 0.00 56.30 56.42 3i04 h ASN 118 Cb 0.21 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.33 3i04 h ASN 118 CO -0.02 0.57 -0.08 -0.74 -0.00 0.00 0.00 177.43 177.16 3i04 h HIS 119 N 0.83 0.91 -0.37 0.67 2.76 -0.30 -1.65 115.15 118.00 3i04 h HIS 119 Ca 0.22 -0.19 -0.14 0.00 -2.20 0.00 0.00 60.37 58.06 3i04 h HIS 119 Cb -0.04 -0.23 -0.01 0.00 1.55 0.00 0.00 27.41 28.69 3i04 h HIS 119 CO -0.02 0.91 -0.33 0.82 -1.30 0.00 0.00 177.93 178.02 3i04 h ILE 120 N 0.65 1.28 -0.43 6.26 2.04 -1.13 -1.85 117.51 124.33 3i04 h ILE 120 Ca 0.11 -1.49 -0.00 0.00 1.00 0.00 0.00 64.86 64.48 3i04 h ILE 120 Cb 0.60 1.34 -0.02 0.00 -0.74 0.00 0.00 36.82 38.00 3i04 h ILE 120 CO 0.04 0.49 0.26 0.00 0.00 0.00 0.00 178.15 178.94 3i04 h ALA 121 N 0.93 0.55 -0.51 1.87 0.00 -0.96 -0.83 119.26 120.30 3i04 h ALA 121 Ca 0.07 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 121 Cb 0.88 -0.17 -0.03 0.00 0.00 0.00 0.00 17.79 18.47 3i04 h ALA 121 CO 0.08 0.04 0.31 1.25 0.00 0.00 0.00 179.25 180.93 3i04 h HIS 122 N 0.57 0.59 -0.96 0.00 -0.00 -1.23 -2.39 115.15 111.73 3i04 h HIS 122 Ca 0.15 0.02 0.04 0.00 -0.00 0.00 0.00 60.37 60.58 3i04 h HIS 122 Cb -0.00 -0.19 -0.06 0.00 -0.00 0.00 0.00 27.41 27.16 3i04 h HIS 122 CO -0.03 0.35 0.63 0.00 -0.00 0.00 0.00 177.93 178.87 3i04 h ALA 123 N 1.22 1.38 -0.62 5.26 0.00 -0.95 -0.78 119.26 124.78 3i04 h ALA 123 Ca 0.20 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 123 Cb -0.01 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3i04 h ALA 123 CO -0.08 0.53 0.09 1.25 0.00 0.00 0.00 179.25 181.04 3i04 h LEU 124 N 1.21 0.99 -0.26 0.00 5.85 -0.94 -0.00 115.31 122.15 3i04 h LEU 124 Ca 0.38 -0.26 -0.08 0.00 0.84 0.00 0.00 57.88 58.76 3i04 h LEU 124 Cb 0.01 -0.26 -0.01 0.00 0.37 0.00 0.00 40.66 40.77 3i04 h LEU 124 CO -0.12 1.00 -0.15 0.58 -0.34 0.00 0.00 178.44 179.42 3i04 h VAL 125 N 0.94 1.30 -0.52 1.05 2.07 -1.19 -1.46 116.25 118.44 3i04 h VAL 125 Ca 0.19 -1.26 0.05 0.00 0.82 0.00 0.00 66.70 66.50 3i04 h VAL 125 Cb 0.44 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.71 3i04 h VAL 125 CO 0.01 0.39 0.24 -0.33 0.02 0.00 0.00 177.57 177.91 3i04 h GLU 126 N 0.29 0.46 0.24 1.57 4.39 -0.96 -1.10 114.58 119.47 3i04 h GLU 126 Ca 0.06 -0.03 0.01 0.00 0.34 0.00 0.00 59.36 59.73 3i04 h GLU 126 Cb 0.67 -0.10 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 3i04 h GLU 126 CO 0.04 0.30 -0.30 1.98 -1.16 0.00 0.00 179.01 179.87 3i04 h MET 127 N 0.47 -0.58 -0.44 2.33 4.05 -0.96 -0.25 114.93 119.55 3i04 h MET 127 Ca 0.23 0.04 0.13 0.00 -0.28 0.00 0.00 59.70 59.82 3i04 h MET 127 Cb 0.18 0.13 -0.02 0.00 -0.80 0.00 0.00 31.60 31.09 3i04 h MET 127 CO -0.18 -0.39 0.35 0.00 0.23 0.00 0.00 176.91 176.92 3i04 h ALA 128 N -0.00 2.32 -0.30 0.39 0.00 -0.98 -1.61 119.26 119.07 3i04 h ALA 128 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 128 Cb 0.57 0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.39 3i04 h ALA 128 CO -0.10 -0.57 0.00 0.39 0.00 0.00 0.00 179.25 178.97 3i04 n GLU 129 N -4.20 1.87 -1.20 0.00 1.02 -0.44 -4.84 120.64 112.85 3i04 n GLU 129 Ca 0.08 -1.33 -0.03 0.00 -0.02 0.00 0.00 57.16 55.85 3i04 n GLU 129 Cb 0.54 -1.35 -0.01 0.00 -0.02 0.00 0.00 31.44 30.60 3i04 n GLU 129 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 130 N 1.15 0.59 0.69 0.62 0.00 -0.61 -4.94 105.19 102.70 3i04 n GLY 130 Ca 0.15 -0.91 0.08 0.00 0.00 0.00 0.00 46.02 45.34 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 -2.74 1.60 -3.17 1.61 5.02 -0.14 -4.74 118.16 115.60 3i04 n LYS 131 Ca -0.03 -1.65 -0.21 0.00 -2.02 0.00 0.00 58.31 54.40 3i04 n LYS 131 Cb 0.15 -1.32 -0.06 0.00 -0.02 0.00 0.00 35.03 33.79 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 0.89 1.68 0.31 7.82 0.00 -1.22 -4.33 120.51 125.66 3i04 n ALA 132 Ca 0.11 -2.80 0.20 0.00 0.00 0.00 0.00 53.44 50.95 3i04 n ALA 132 Cb 0.42 -0.92 0.98 0.00 0.00 0.00 0.00 19.45 19.92 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 4.72 0.00 0.00 0.00 0.13 -1.84 -2.31 132.00 132.70 3i04 h PRO 133 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 3i04 h PRO 133 Cb 0.93 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.06 3i04 h PRO 133 CO 0.36 0.01 0.00 -0.25 -0.23 0.00 0.00 178.00 177.89 3i04 n ASP 134 N -3.15 0.00 -4.38 1.44 8.00 -1.26 -4.78 116.55 112.42 3i04 n ASP 134 Ca -0.02 -0.95 -0.20 0.00 0.71 0.00 0.00 54.79 54.33 3i04 n ASP 134 Cb 0.17 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.17 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 -2.00 1.86 0.20 1.24 1.51 -0.87 -5.00 117.35 114.29 3i04 s TYR 135 Ca 0.28 -0.56 -0.23 0.00 -1.01 0.00 0.00 57.07 55.55 3i04 s TYR 135 Cb 0.13 -0.90 0.05 0.00 -0.11 0.00 0.00 41.96 41.13 3i04 s TYR 135 CO 0.22 0.40 0.85 -1.54 -1.11 0.00 0.00 175.55 174.38 3i04 s SER 136 N -3.38 -0.22 -0.65 2.29 1.04 -1.26 -4.97 113.70 106.56 3i04 s SER 136 Ca 0.25 -0.47 -0.26 0.00 0.48 0.00 0.00 55.95 55.95 3i04 s SER 136 Cb -0.00 0.58 0.04 0.00 0.10 0.00 0.00 66.02 66.74 3i04 s SER 136 CO 0.09 -1.08 1.16 -0.69 0.98 0.00 0.00 173.24 173.71 3i04 s VAL 137 N -3.54 3.99 -0.33 5.02 1.01 -1.26 -4.41 120.40 120.87 3i04 s VAL 137 Ca 0.11 0.47 0.23 0.00 0.00 0.00 0.00 61.98 62.79 3i04 s VAL 137 Cb -0.03 -4.77 0.10 0.00 0.00 0.00 0.00 36.38 31.68 3i04 s VAL 137 CO 0.04 -1.53 1.23 0.11 0.00 0.00 0.00 175.10 174.95 3i04 h LYS 138 N 9.70 0.00 -3.18 2.72 1.57 -1.03 -3.41 116.57 122.95 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 -0.72 0.34 -0.57 0.00 0.00 179.45 179.71 3i04 s ASP 139 N -5.49 3.83 0.28 0.86 3.68 -0.65 -4.72 116.67 114.47 3i04 s ASP 139 Ca 0.02 -2.56 -0.01 0.00 2.13 0.00 0.00 52.55 52.13 3i04 s ASP 139 Cb 0.09 -1.13 0.40 0.00 -1.45 0.00 0.00 42.92 40.83 3i04 s ASP 139 CO 0.75 -0.28 1.84 -0.33 0.13 0.00 0.00 175.17 177.28 3i04 h GLU 140 N 6.88 0.86 -0.14 4.34 5.08 -1.86 -2.10 114.58 127.64 3i04 h GLU 140 Ca -0.03 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.15 3i04 h GLU 140 Cb 0.94 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 30.04 3i04 h GLU 140 CO 0.51 0.75 0.00 0.00 -1.00 0.00 0.00 179.01 179.27 3i04 h ALA 141 N 1.36 0.19 -0.19 3.43 0.00 -1.99 -0.95 119.26 121.10 3i04 h ALA 141 Ca 0.19 -0.19 0.05 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 141 Cb 0.24 -0.05 -0.06 0.00 0.00 0.00 0.00 17.79 17.92 3i04 h ALA 141 CO -0.01 -0.12 -0.17 -0.22 0.00 0.00 0.00 179.25 178.73 3i04 h LYS 142 N -0.01 -0.18 -0.47 0.00 1.63 -1.95 -1.47 116.57 114.13 3i04 h LYS 142 Ca 0.04 0.01 0.08 0.00 -0.85 0.00 0.00 60.65 59.94 3i04 h LYS 142 Cb 0.35 0.04 -0.10 0.00 -0.60 0.00 0.00 32.23 31.93 3i04 h LYS 142 CO 0.01 -0.12 -0.36 1.25 -3.45 0.00 0.00 179.45 176.77 3i04 h LEU 143 N -0.19 -1.21 -0.91 5.20 5.85 -1.20 0.13 115.31 122.98 3i04 h LEU 143 Ca 0.12 0.21 -0.10 0.00 0.84 0.00 0.00 57.88 58.95 3i04 h LEU 143 Cb 0.37 0.57 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3i04 h LEU 143 CO -0.31 -0.33 -0.30 0.11 -0.34 0.00 0.00 178.44 177.28 3i04 h LYS 144 N -0.24 0.44 -0.17 1.25 1.57 -1.07 -0.16 116.57 118.20 3i04 h LYS 144 Ca 0.18 -0.18 0.01 0.00 -1.87 0.00 0.00 60.65 58.79 3i04 h LYS 144 Cb 0.55 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.83 3i04 h LYS 144 CO -0.60 0.70 0.07 1.49 -0.57 0.00 0.00 179.45 180.54 3i04 h GLU 145 N 0.39 0.15 -0.15 3.15 4.57 -0.60 -0.41 114.58 121.67 3i04 h GLU 145 Ca 0.05 -0.01 -0.01 0.00 -1.18 0.00 0.00 59.36 58.21 3i04 h GLU 145 Cb 0.72 -0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.27 3i04 h GLU 145 CO 0.06 0.10 0.06 0.28 -1.18 0.00 0.00 179.01 178.32 3i04 h VAL 146 N 0.16 1.16 -0.34 0.32 2.07 -0.39 0.05 116.25 119.27 3i04 h VAL 146 Ca 0.07 -0.49 0.07 0.00 0.82 0.00 0.00 66.70 67.17 3i04 h VAL 146 Cb 0.03 1.21 -0.08 0.00 -1.52 0.00 0.00 31.29 30.93 3i04 h VAL 146 CO -0.06 0.15 -0.29 0.00 0.02 0.00 0.00 177.57 177.39 3i04 h ARG 148 N -0.25 0.35 -0.79 0.00 2.43 -0.90 0.18 114.38 115.41 3i04 h ARG 148 Ca 0.16 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.45 3i04 h ARG 148 Cb 0.51 -0.08 -0.09 0.00 -0.42 0.00 0.00 29.97 29.89 3i04 h ARG 148 CO -0.49 0.23 0.38 -0.09 -1.51 0.00 0.00 179.97 178.50 3i04 h ARG 149 N 0.37 0.55 -0.71 0.20 2.43 -0.01 -2.07 114.38 115.14 3i04 h ARG 149 Ca 0.20 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.34 3i04 h ARG 149 Cb 0.17 -0.12 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 3i04 h ARG 149 CO -0.18 0.36 0.00 1.33 -1.51 0.00 0.00 179.97 179.97 3i04 n VAL 150 N -4.91 1.41 -1.17 0.20 0.24 -0.53 -4.88 118.33 108.70 3i04 n VAL 150 Ca 0.15 -0.76 -0.06 0.00 -2.04 0.00 0.00 64.34 61.64 3i04 n VAL 150 Cb 0.40 -0.27 -0.02 0.00 -1.47 0.00 0.00 33.84 32.47 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 0.49 0.81 3.68 7.63 0.00 -0.78 -5.02 105.19 112.01 3i04 n GLY 151 Ca 0.16 -0.62 -0.41 0.00 0.00 0.00 0.00 46.02 45.14 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 -2.16 4.88 -0.25 -0.61 1.01 0.60 -5.00 121.20 119.67 3i04 s ILE 152 Ca 0.00 1.70 -0.29 0.00 0.00 0.00 0.00 60.65 62.06 3i04 s ILE 152 Cb 0.00 -4.16 -0.03 0.00 0.01 0.00 0.00 42.46 38.28 3i04 s ILE 152 CO 0.00 0.06 1.75 -1.61 0.00 0.00 0.00 174.94 175.14 3i04 s GLU 153 N 1.91 3.58 0.07 2.79 0.41 -1.26 -3.94 118.70 122.25 3i04 s GLU 153 Ca 0.41 1.64 0.08 0.00 -0.41 0.00 0.00 54.97 56.68 3i04 s GLU 153 Cb -0.17 -4.13 -0.22 0.00 -1.78 0.00 0.00 34.13 27.82 3i04 s GLU 153 CO 0.15 -1.57 1.09 0.28 -0.49 0.00 0.00 175.26 174.72 3i04 h VAL 154 N 6.47 1.46 -2.22 2.63 2.07 -1.94 -3.47 116.25 121.24 3i04 h VAL 154 Ca -0.35 -3.20 -0.58 0.00 0.82 0.00 0.00 66.70 63.39 3i04 h VAL 154 Cb 1.17 2.74 0.03 0.00 -1.52 0.00 0.00 31.29 33.71 3i04 h VAL 154 CO 1.01 0.84 1.04 -0.62 0.02 0.00 0.00 177.57 179.86 3i04 n GLU 155 N -3.28 2.37 -0.75 1.57 1.02 -1.26 -2.96 120.64 117.35 3i04 n GLU 155 Ca -0.05 0.86 0.00 0.00 -0.02 0.00 0.00 57.16 57.95 3i04 n GLU 155 Cb 0.98 -2.71 0.00 0.00 -0.02 0.00 0.00 31.44 29.68 3i04 n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3i04 n GLY 156 N 4.14 0.55 3.36 0.62 0.00 -1.26 -5.04 105.19 107.57 3i04 n GLY 156 Ca 0.20 -0.66 -0.30 0.00 0.00 0.00 0.00 46.02 45.26 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 -1.25 1.62 0.79 1.61 1.02 -1.16 -5.12 119.74 117.25 3i04 s LYS 157 Ca 0.00 -1.22 -0.11 0.00 0.02 0.00 0.00 55.97 54.66 3i04 s LYS 157 Cb 0.00 -1.94 0.07 0.00 -0.52 0.00 0.00 37.83 35.44 3i04 s LYS 157 CO 0.00 0.48 1.09 -1.54 -0.92 0.00 0.00 175.35 174.46 3i04 s SER 158 N -1.61 4.44 0.38 2.83 1.04 -1.26 -4.90 113.70 114.62 3i04 s SER 158 Ca 0.13 1.56 0.10 0.00 0.48 0.00 0.00 55.95 58.22 3i04 s SER 158 Cb -0.10 -2.31 0.77 0.00 0.10 0.00 0.00 66.02 64.48 3i04 s SER 158 CO 0.04 -2.04 1.90 -0.37 0.98 0.00 0.00 173.24 173.75 3i04 h VAL 159 N -1.13 1.19 -0.25 5.02 -1.51 -1.99 -1.65 116.25 115.93 3i04 h VAL 159 Ca -0.46 -0.83 -0.12 0.00 -1.23 0.00 0.00 66.70 64.06 3i04 h VAL 159 Cb 1.25 1.25 -0.01 0.00 -2.13 0.00 0.00 31.29 31.65 3i04 h VAL 159 CO 0.55 0.26 -0.35 -0.07 -1.23 0.00 0.00 177.57 176.73 3i04 h LEU 160 N 0.21 0.57 -0.67 4.19 3.38 -1.93 -0.57 115.31 120.50 3i04 h LEU 160 Ca 0.04 -0.23 -0.09 0.00 0.09 0.00 0.00 57.88 57.68 3i04 h LEU 160 Cb 0.41 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.97 3i04 h LEU 160 CO 0.02 0.88 -0.00 -0.33 0.09 0.00 0.00 178.44 179.10 3i04 h GLU 161 N 0.46 1.03 -0.62 1.13 5.08 -1.79 -2.04 114.58 117.84 3i04 h GLU 161 Ca 0.05 -0.32 -0.06 0.00 -1.00 0.00 0.00 59.36 58.03 3i04 h GLU 161 Cb 0.83 -0.10 -0.03 0.00 0.50 0.00 0.00 28.75 29.96 3i04 h GLU 161 CO 0.07 1.01 0.16 -0.07 -1.00 0.00 0.00 179.01 179.18 3i04 h LEU 162 N 0.94 0.93 -1.00 1.33 3.38 -1.06 -0.49 115.31 119.34 3i04 h LEU 162 Ca 0.17 -0.23 -0.05 0.00 0.09 0.00 0.00 57.88 57.86 3i04 h LEU 162 Cb 0.55 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 3i04 h LEU 162 CO 0.03 0.92 0.17 0.00 0.09 0.00 0.00 178.44 179.65 3i04 h ALA 163 N 1.05 1.20 0.14 1.53 0.00 -1.02 -0.75 119.26 121.40 3i04 h ALA 163 Ca 0.20 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3i04 h ALA 163 Cb 0.34 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.90 3i04 h ALA 163 CO 0.00 0.56 -0.07 0.37 0.00 0.00 0.00 179.25 180.11 3i04 h GLN 164 N 0.86 -0.18 -0.74 0.00 4.15 -1.25 -1.92 115.11 116.05 3i04 h GLN 164 Ca 0.19 0.01 -0.05 0.00 0.77 0.00 0.00 58.65 59.58 3i04 h GLN 164 Cb 0.27 0.04 -0.03 0.00 0.21 0.00 0.00 27.48 27.97 3i04 h GLN 164 CO -0.01 0.20 0.27 1.49 -1.93 0.00 0.00 178.83 178.85 3i04 h GLU 165 N -0.59 1.12 -0.31 1.69 4.81 -0.98 -0.84 114.58 119.48 3i04 h GLU 165 Ca -0.02 -0.22 -0.17 0.00 -0.13 0.00 0.00 59.36 58.82 3i04 h GLU 165 Cb 0.46 -0.17 -0.00 0.00 0.63 0.00 0.00 28.75 29.66 3i04 h GLU 165 CO 0.03 0.94 -0.48 -0.24 -0.73 0.00 0.00 179.01 178.52 3i04 h VAL 166 N 1.08 1.28 -0.19 0.32 3.04 -1.21 -1.25 116.25 119.33 3i04 h VAL 166 Ca 0.24 -1.67 0.02 0.00 -1.01 0.00 0.00 66.70 64.29 3i04 h VAL 166 Cb 0.25 1.55 -0.02 0.00 -2.01 0.00 0.00 31.29 31.06 3i04 h VAL 166 CO -0.02 0.55 0.05 1.23 -1.01 0.00 0.00 177.57 178.37 3i04 h GLY 167 N 0.78 0.22 1.00 3.17 0.00 -1.21 -1.64 103.07 105.39 3i04 h GLY 167 Ca 0.03 -0.03 0.00 0.00 0.00 0.00 0.00 47.33 47.34 3i04 h GLY 167 CO 0.11 0.01 0.38 0.83 0.00 0.00 0.00 176.54 177.87 3i04 h GLU 168 N 0.13 0.80 -0.54 4.80 5.08 -1.14 -1.44 114.58 122.27 3i04 h GLU 168 Ca 0.08 -0.06 0.09 0.00 -1.00 0.00 0.00 59.36 58.47 3i04 h GLU 168 Cb 0.06 -0.17 -0.07 0.00 0.50 0.00 0.00 28.75 29.07 3i04 h GLU 168 CO -0.10 0.55 0.16 -0.22 -1.00 0.00 0.00 179.01 178.41 3i04 h LYS 169 N 0.81 0.32 -0.63 2.33 1.63 -1.02 -1.62 116.57 118.38 3i04 h LYS 169 Ca 0.22 -0.02 -0.03 0.00 -0.85 0.00 0.00 60.65 59.97 3i04 h LYS 169 Cb -0.06 -0.07 -0.03 0.00 -0.60 0.00 0.00 32.23 31.47 3i04 h LYS 169 CO -0.04 0.21 0.29 0.00 -3.45 0.00 0.00 179.45 176.45 3i04 h ALA 170 N 1.39 0.82 -0.91 5.00 0.00 -1.10 -2.84 119.26 121.61 3i04 h ALA 170 Ca 0.27 -0.15 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3i04 h ALA 170 Cb 0.34 -0.25 -0.06 0.00 0.00 0.00 0.00 17.79 17.82 3i04 h ALA 170 CO -0.30 0.40 0.59 -0.07 0.00 0.00 0.00 179.25 179.87 3i04 h LEU 171 N 0.88 0.93 -1.52 0.00 3.38 -0.88 0.79 115.31 118.89 3i04 h LEU 171 Ca 0.21 0.00 0.19 0.00 0.09 0.00 0.00 57.88 58.38 3i04 h LEU 171 Cb 0.15 -0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.64 3i04 h LEU 171 CO -0.02 0.60 0.58 -0.33 0.09 0.00 0.00 178.44 179.36 3i04 h GLU 172 N 1.06 0.40 -0.01 1.13 5.08 -1.06 -0.39 114.58 120.78 3i04 h GLU 172 Ca 0.38 -0.02 -0.11 0.00 -1.00 0.00 0.00 59.36 58.61 3i04 h GLU 172 Cb 0.16 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 3i04 h GLU 172 CO -0.14 0.26 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.20 3i04 h ASP 173 N 0.41 0.03 0.48 1.42 5.19 -0.77 -2.22 116.42 120.96 3i04 h ASP 173 Ca 0.46 -0.02 -0.17 0.00 -0.62 0.00 0.00 57.03 56.68 3i04 h ASP 173 Cb 1.12 -0.01 -0.01 0.00 0.18 0.00 0.00 39.33 40.61 3i04 h ASP 173 CO -0.17 0.52 -0.73 -0.26 -3.12 0.00 0.00 179.24 175.48 3i04 h PHE 174 N 0.03 0.28 0.00 4.55 -1.00 -0.93 0.52 116.94 120.40 3i04 h PHE 174 Ca -0.00 -0.13 -0.15 0.00 2.81 0.00 0.00 57.97 60.50 3i04 h PHE 174 Cb 0.88 -0.04 -0.02 0.00 3.61 0.00 0.00 35.95 40.38 3i04 h PHE 174 CO 0.00 0.86 -1.05 0.00 -1.61 0.00 0.00 178.31 176.52 3i04 h ARG 175 N 0.14 0.00 -6.92 1.51 3.08 -1.02 -3.20 114.38 107.97 3i04 h ARG 175 Ca -0.02 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.49 3i04 h ARG 175 Cb 1.30 0.00 0.10 0.00 0.08 0.00 0.00 29.97 31.45 3i04 h ARG 175 CO 0.11 0.41 0.80 0.50 -1.07 0.00 0.00 179.97 180.72 3i04 s ARG 176 N -2.92 4.11 0.34 0.04 3.52 -0.86 -4.91 118.95 118.27 3i04 s ARG 176 Ca -0.00 2.58 0.04 0.00 -0.13 0.00 0.00 55.73 58.22 3i04 s ARG 176 Cb 0.08 -2.98 -0.02 0.00 -1.56 0.00 0.00 34.95 30.48 3i04 s ARG 176 CO 0.79 -0.55 0.50 -0.51 -0.81 0.00 0.00 175.30 174.71 3i04 s LEU 177 N -1.85 4.00 0.19 -0.88 1.43 -1.26 -2.32 118.68 117.98 3i04 s LEU 177 Ca 0.54 0.06 -0.33 0.00 -1.03 0.00 0.00 54.13 53.38 3i04 s LEU 177 Cb -0.47 -2.94 -0.15 0.00 0.03 0.00 0.00 46.19 42.66 3i04 s LEU 177 CO 0.61 -0.38 1.33 1.17 0.23 0.00 0.00 176.35 179.30 3i04 n LYS 178 N -1.70 1.61 -0.93 1.70 4.81 -1.26 -1.24 118.16 121.15 3i04 n LYS 178 Ca -0.03 0.57 0.00 0.00 -0.87 0.00 0.00 58.31 57.99 3i04 n LYS 178 Cb 0.57 -2.18 0.00 0.00 0.02 0.00 0.00 35.03 33.44 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 2.29 0.68 0.88 3.14 0.00 -1.26 -4.90 105.19 106.03 3i04 n GLY 179 Ca 0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.28 3i04 n GLY 179 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 3i04 n GLU 180 N -2.06 2.16 0.00 1.61 1.02 -0.37 -5.05 120.64 117.95 3i04 n GLU 180 Ca 0.00 -1.74 0.00 0.00 -0.02 0.00 0.00 57.16 55.40 3i04 n GLU 180 Cb 0.03 -1.46 0.00 0.00 -0.02 0.00 0.00 31.44 29.99 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 1.33 0.66 3.20 0.62 0.00 -1.26 -4.93 105.19 104.81 3i04 n GLY 181 Ca 0.18 -2.00 -0.23 0.00 0.00 0.00 0.00 46.02 43.96 3i04 n GLY 181 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 3i04 s GLU 182 N -0.95 1.20 -0.00 1.61 2.02 -1.26 -4.20 118.70 117.12 3i04 s GLU 182 Ca 0.00 -0.86 -0.30 0.00 0.02 0.00 0.00 54.97 53.84 3i04 s GLU 182 Cb 0.00 -1.27 -0.08 0.00 0.10 0.00 0.00 34.13 32.88 3i04 s GLU 182 CO 0.00 0.32 1.99 0.00 0.02 0.00 0.00 175.26 177.60 3i04 s ALA 183 N -0.81 3.46 0.13 5.21 0.00 0.41 -4.92 121.76 125.25 3i04 s ALA 183 Ca 0.05 1.24 -0.22 0.00 0.00 0.00 0.00 51.96 53.02 3i04 s ALA 183 Cb -0.08 -3.88 -0.03 0.00 0.00 0.00 0.00 23.12 19.13 3i04 s ALA 183 CO 0.01 -1.74 1.67 1.15 0.00 0.00 0.00 175.76 176.86 3i04 h THR 184 N 5.85 0.63 0.00 0.00 2.02 -1.90 -2.17 112.91 117.34 3i04 h THR 184 Ca -0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 66.70 3i04 h THR 184 Cb 1.24 0.63 0.00 0.00 -1.74 0.00 0.00 68.15 68.28 3i04 h THR 184 CO 0.94 0.00 0.00 -0.50 0.37 0.00 0.00 175.52 176.33 3i04 h TRP 185 N -0.17 0.00 0.00 3.16 6.55 -1.91 -1.32 115.95 122.26 3i04 h TRP 185 Ca 0.09 0.00 -0.01 0.00 0.95 0.00 0.00 58.89 59.91 3i04 h TRP 185 Cb 0.30 0.00 -0.00 0.00 -0.86 0.00 0.00 29.16 28.59 3i04 h TRP 185 CO -0.25 0.00 -0.17 1.25 -1.05 0.00 0.00 178.44 178.22 3i04 h LEU 186 N 0.00 0.00 -1.57 -4.49 5.85 -1.81 -3.34 115.31 109.95 3i04 h LEU 186 Ca 0.00 -0.21 -0.05 0.00 0.84 0.00 0.00 57.88 58.46 3i04 h LEU 186 Cb 0.23 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.25 3i04 h LEU 186 CO 0.00 0.70 -0.22 0.24 -0.34 0.00 0.00 178.44 178.82 3i04 h MET 187 N -1.00 0.00 -0.01 1.25 2.86 -1.23 -2.40 114.93 114.41 3i04 h MET 187 Ca -0.02 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.62 3i04 h MET 187 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.02 3i04 h MET 187 CO -0.01 0.22 -0.34 0.25 1.06 0.00 0.00 176.91 178.09 3i04 n THR 188 N -3.87 0.00 -0.02 2.22 -2.24 -0.51 -3.99 114.28 105.87 3i04 n THR 188 Ca -0.02 -0.12 0.03 0.00 -2.27 0.00 0.00 64.05 61.67 3i04 n THR 188 Cb 0.31 0.48 0.06 0.00 -2.10 0.00 0.00 70.33 69.09 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 -0.73 0.78 -4.50 4.28 -2.24 -0.91 -4.98 114.28 105.97 3i04 n THR 189 Ca 0.11 -0.89 -0.24 0.00 -2.27 0.00 0.00 64.05 60.75 3i04 n THR 189 Cb 0.36 0.63 -0.10 0.00 -2.10 0.00 0.00 70.33 69.12 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 -0.88 2.09 0.94 2.28 -4.36 -1.15 -4.86 121.20 115.25 3i04 s ILE 190 Ca 0.10 -2.20 -0.14 0.00 -0.26 0.00 0.00 60.65 58.15 3i04 s ILE 190 Cb 0.06 -2.55 0.16 0.00 1.25 0.00 0.00 42.46 41.38 3i04 s ILE 190 CO 0.08 -0.26 1.20 0.54 0.24 0.00 0.00 174.94 176.74 3i04 s ASN 191 N -3.55 3.30 0.24 4.36 4.22 -1.26 -4.86 114.94 117.39 3i04 s ASN 191 Ca 0.31 0.67 0.03 0.00 -2.14 0.00 0.00 52.86 51.74 3i04 s ASN 191 Cb 0.02 -1.03 0.27 0.00 1.28 0.00 0.00 41.25 41.79 3i04 s ASN 191 CO 0.15 -2.65 1.58 -0.33 -2.04 0.00 0.00 177.10 173.81 3i04 h GLU 192 N -1.57 0.31 -0.87 3.55 4.39 -1.97 -2.38 114.58 116.03 3i04 h GLU 192 Ca -0.47 -0.19 0.05 0.00 0.34 0.00 0.00 59.36 59.09 3i04 h GLU 192 Cb 1.30 0.02 -0.05 0.00 -0.10 0.00 0.00 28.75 29.91 3i04 h GLU 192 CO 0.52 0.77 0.57 0.78 -1.16 0.00 0.00 179.01 180.50 3i04 h GLY 193 N 1.32 1.25 0.71 -3.84 0.00 -1.95 -0.16 103.07 100.41 3i04 h GLY 193 Ca 0.00 -0.41 -0.14 0.00 0.00 0.00 0.00 47.33 46.79 3i04 h GLY 193 CO 0.09 0.32 -0.55 3.21 0.00 0.00 0.00 176.54 179.61 3i04 h ARG 194 N 1.02 0.36 -0.37 4.80 2.47 -1.86 -1.29 114.38 119.51 3i04 h ARG 194 Ca 0.37 -0.39 0.07 0.00 -1.26 0.00 0.00 59.98 58.76 3i04 h ARG 194 Cb 0.14 0.11 -0.06 0.00 -1.65 0.00 0.00 29.97 28.52 3i04 h ARG 194 CO -0.13 1.08 -0.00 0.87 0.56 0.00 0.00 179.97 182.35 3i04 h LYS 195 N -0.20 0.09 -0.67 0.04 1.57 -1.35 0.17 116.57 116.23 3i04 h LYS 195 Ca -0.07 -0.01 -0.06 0.00 -1.87 0.00 0.00 60.65 58.65 3i04 h LYS 195 Cb 1.27 -0.02 -0.03 0.00 0.08 0.00 0.00 32.23 33.54 3i04 h LYS 195 CO 0.11 0.06 0.20 0.93 -0.57 0.00 0.00 179.45 180.18 3i04 h GLU 196 N 0.10 1.04 -0.32 3.15 5.08 -1.01 -1.13 114.58 121.49 3i04 h GLU 196 Ca 0.18 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.29 3i04 h GLU 196 Cb 0.25 -0.15 -0.01 0.00 0.50 0.00 0.00 28.75 29.34 3i04 h GLU 196 CO -0.30 0.91 0.13 -0.22 -1.00 0.00 0.00 179.01 178.53 3i04 h LYS 197 N 0.97 0.48 -0.26 2.33 1.63 -0.91 -1.73 116.57 119.08 3i04 h LYS 197 Ca 0.21 -0.09 -0.14 0.00 -0.85 0.00 0.00 60.65 59.78 3i04 h LYS 197 Cb 0.31 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.86 3i04 h LYS 197 CO -0.00 0.48 -0.42 0.74 -3.45 0.00 0.00 179.45 176.79 3i04 h PHE 198 N 0.37 0.78 0.09 1.91 0.05 -0.46 -1.79 116.94 117.89 3i04 h PHE 198 Ca 0.11 -0.24 -0.00 0.00 3.82 0.00 0.00 57.97 61.66 3i04 h PHE 198 Cb 0.18 -0.16 0.00 0.00 2.00 0.00 0.00 35.95 37.97 3i04 h PHE 198 CO -0.01 0.96 -0.04 0.00 -0.18 0.00 0.00 178.31 179.04 3i04 h ARG 199 N 0.53 -0.12 -0.02 1.51 3.08 -1.13 -0.88 114.38 117.35 3i04 h ARG 199 Ca 0.04 0.01 -0.03 0.00 0.07 0.00 0.00 59.98 60.06 3i04 h ARG 199 Cb 0.95 0.03 -0.01 0.00 0.08 0.00 0.00 29.97 31.02 3i04 h ARG 199 CO 0.09 0.15 -0.15 1.79 -1.07 0.00 0.00 179.97 180.78 3i04 h THR 200 N -0.38 1.12 -0.06 2.04 1.35 -1.30 -2.24 112.91 113.43 3i04 h THR 200 Ca -0.01 -0.54 0.00 0.00 -0.55 0.00 0.00 66.41 65.30 3i04 h THR 200 Cb 0.32 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 68.01 3i04 h THR 200 CO 0.02 0.16 0.00 1.41 -0.25 0.00 0.00 175.52 176.86 3i04 n HIS 201 N -4.35 0.05 -3.68 4.73 8.25 -0.68 -4.97 115.22 114.57 3i04 n HIS 201 Ca -0.02 -0.02 -0.23 0.00 -0.26 0.00 0.00 57.72 57.18 3i04 n HIS 201 Cb 0.22 0.00 0.05 0.00 1.12 0.00 0.00 29.99 31.38 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 0.76 -3.22 -0.05 0.41 5.15 -0.68 -4.93 115.26 112.71 3i04 n ASN 202 Ca 0.17 -0.71 0.03 0.00 -0.60 0.00 0.00 54.58 53.47 3i04 n ASN 202 Cb 0.47 -4.43 0.05 0.00 -0.53 0.00 0.00 39.78 35.34 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 -4.48 1.29 -2.23 3.44 0.24 -0.42 -4.96 118.33 111.21 3i04 n VAL 203 Ca -0.16 -1.40 -0.42 0.00 -2.04 0.00 0.00 64.34 60.32 3i04 n VAL 203 Cb 0.62 0.26 -0.03 0.00 -1.47 0.00 0.00 33.84 33.22 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 -1.60 3.89 0.33 3.34 1.01 -1.23 -4.25 120.40 121.89 3i04 s VAL 204 Ca 0.11 1.14 -0.29 0.00 0.00 0.00 0.00 61.98 62.94 3i04 s VAL 204 Cb 0.09 -3.74 -0.11 0.00 0.00 0.00 0.00 36.38 32.63 3i04 s VAL 204 CO 0.01 -0.07 1.39 -2.16 0.00 0.00 0.00 175.10 174.28 3i04 s PRO 205 N 3.32 4.26 0.00 2.72 0.04 -1.26 -4.89 135.00 139.19 3i04 s PRO 205 Ca 0.63 2.35 0.00 0.00 0.04 0.00 0.00 61.00 64.03 3i04 s PRO 205 Cb -0.28 -3.04 0.00 0.00 0.04 0.00 0.00 34.50 31.21 3i04 s PRO 205 CO 0.23 -0.35 0.00 1.97 0.04 0.00 0.00 177.00 178.89 3i04 n PHE 206 N 0.97 0.00 -4.43 0.56 -1.74 -1.26 -0.44 117.46 111.12 3i04 n PHE 206 Ca 0.02 0.00 -0.26 0.00 -0.56 0.00 0.00 57.45 56.65 3i04 n PHE 206 Cb 0.41 -0.35 -0.11 0.00 1.52 0.00 0.00 39.48 40.94 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 -1.77 1.77 0.02 4.97 0.00 -0.98 -3.20 107.32 108.13 3i04 s GLY 207 Ca 0.00 -1.72 -0.26 0.00 0.00 0.00 0.00 44.72 42.74 3i04 s GLY 207 CO 0.00 -1.77 1.20 -2.22 0.00 0.00 0.00 173.10 170.31 3i04 h ILE 208 N 2.80 0.30 -0.58 0.90 2.04 -1.00 -0.72 117.51 121.26 3i04 h ILE 208 Ca -0.44 -0.39 -0.01 0.00 1.00 0.00 0.00 64.86 65.03 3i04 h ILE 208 Cb 1.23 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 37.70 3i04 h ILE 208 CO 0.53 0.04 0.34 0.45 0.00 0.00 0.00 178.15 179.51 3i04 h HIS 209 N -1.02 0.78 -0.74 1.37 3.86 -1.82 -2.69 115.15 114.89 3i04 h HIS 209 Ca -0.07 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.11 3i04 h HIS 209 Cb 0.63 -0.25 -0.04 0.00 1.06 0.00 0.00 27.41 28.82 3i04 h HIS 209 CO 0.01 0.55 0.40 0.00 0.86 0.00 0.00 177.93 179.74 3i04 h ALA 210 N 1.16 1.31 -0.42 2.45 0.00 -1.78 0.45 119.26 122.43 3i04 h ALA 210 Ca 0.21 -0.12 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 210 Cb 0.01 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3i04 h ALA 210 CO -0.04 0.56 0.05 0.77 0.00 0.00 0.00 179.25 180.59 3i04 h SER 211 N 1.03 0.69 0.43 0.00 0.02 -1.01 -0.71 113.55 113.99 3i04 h SER 211 Ca 0.26 -0.28 -0.01 0.00 -0.84 0.00 0.00 61.79 60.93 3i04 h SER 211 Cb 0.03 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 62.37 3i04 h SER 211 CO -0.04 0.79 -0.40 0.40 -1.14 0.00 0.00 176.83 176.44 3i04 h ILE 212 N 0.56 0.19 -1.00 3.27 2.04 -1.25 -2.95 117.51 118.37 3i04 h ILE 212 Ca 0.13 0.00 0.13 0.00 1.00 0.00 0.00 64.86 66.11 3i04 h ILE 212 Cb 0.41 0.19 -0.09 0.00 -0.74 0.00 0.00 36.82 36.59 3i04 h ILE 212 CO 0.01 0.00 0.63 -1.28 0.00 0.00 0.00 178.15 177.51 3i04 h SER 213 N -0.84 0.90 -0.84 1.72 0.87 -0.88 -2.27 113.55 112.20 3i04 h SER 213 Ca -0.04 0.05 -0.03 0.00 -1.23 0.00 0.00 61.79 60.55 3i04 h SER 213 Cb 0.74 -0.13 -0.04 0.00 -0.44 0.00 0.00 62.40 62.54 3i04 h SER 213 CO -0.05 0.46 0.42 -0.08 -0.53 0.00 0.00 176.83 177.05 3i04 h GLU 214 N 0.95 1.20 -0.27 2.24 4.57 -0.99 -0.49 114.58 121.79 3i04 h GLU 214 Ca 0.50 -0.17 -0.19 0.00 -1.18 0.00 0.00 59.36 58.32 3i04 h GLU 214 Cb 0.55 -0.22 0.00 0.00 -0.16 0.00 0.00 28.75 28.92 3i04 h GLU 214 CO -0.27 0.91 -0.58 1.25 -1.18 0.00 0.00 179.01 179.14 3i04 h LEU 215 N 1.19 0.98 -0.50 1.64 5.85 -1.28 -0.70 115.31 122.49 3i04 h LEU 215 Ca 0.29 -0.55 0.09 0.00 0.84 0.00 0.00 57.88 58.56 3i04 h LEU 215 Cb 0.10 -0.28 -0.08 0.00 0.37 0.00 0.00 40.66 40.77 3i04 h LEU 215 CO -0.04 1.35 0.04 0.58 -0.34 0.00 0.00 178.44 180.03 3i04 h VAL 216 N 0.66 0.65 -0.22 1.05 2.07 -1.16 -1.22 116.25 118.07 3i04 h VAL 216 Ca 0.00 -0.05 0.05 0.00 0.82 0.00 0.00 66.70 67.52 3i04 h VAL 216 Cb 1.20 0.48 -0.06 0.00 -1.52 0.00 0.00 31.29 31.39 3i04 h VAL 216 CO 0.13 0.03 -0.15 -1.13 0.02 0.00 0.00 177.57 176.47 3i04 h ASN 217 N 0.16 -0.49 0.23 0.57 -0.00 -0.88 -2.89 115.58 112.28 3i04 h ASN 217 Ca 0.25 0.10 -0.01 0.00 -0.00 0.00 0.00 56.30 56.64 3i04 h ASN 217 Cb 0.37 0.25 -0.00 0.00 -0.00 0.00 0.00 38.32 38.94 3i04 h ASN 217 CO -0.38 -0.19 -0.05 1.56 -0.00 0.00 0.00 177.43 178.36 3i04 h GLN 218 N -0.15 0.00 0.00 6.67 4.20 -0.43 -1.94 115.11 123.47 3i04 h GLN 218 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3i04 h GLN 218 Cb 0.33 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.11 3i04 h GLN 218 CO -0.31 0.05 0.00 0.00 -0.67 0.00 0.00 178.83 177.91 3i04 h ALA 219 N 1.95 1.00 -2.90 3.87 0.00 -1.04 -2.96 119.26 119.19 3i04 h ALA 219 Ca -0.00 0.00 -0.57 0.00 0.00 0.00 0.00 54.91 54.34 3i04 h ALA 219 Cb 0.18 0.00 0.16 0.00 0.00 0.00 0.00 17.79 18.13 3i04 h ALA 219 CO 0.01 0.00 0.29 1.58 0.00 0.00 0.00 179.25 181.13 3i04 n HIS 220 N -2.50 1.33 -1.60 0.00 -0.00 -0.73 -4.87 115.22 106.85 3i04 n HIS 220 Ca 0.05 0.44 -0.50 0.00 -0.00 0.00 0.00 57.72 57.71 3i04 n HIS 220 Cb 0.45 -2.21 -0.05 0.00 -0.00 0.00 0.00 29.99 28.18 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 -1.15 1.32 -1.79 1.57 0.00 -1.26 -2.64 117.12 113.17 3i04 n MET 221 Ca 0.13 0.47 -0.06 0.00 -0.00 0.00 0.00 57.70 58.25 3i04 n MET 221 Cb 0.47 -2.09 -0.01 0.00 0.00 0.00 0.00 33.22 31.59 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 2.44 0.37 0.00 -5.12 0.00 -1.26 -5.00 105.19 96.61 3i04 n GLY 222 Ca 0.17 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.48 3i04 n GLY 222 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3i04 n MET 223 N -1.98 0.00 -2.62 1.61 2.00 -1.08 -5.05 117.12 110.01 3i04 n MET 223 Ca -0.06 0.00 -0.41 0.00 0.00 0.00 0.00 57.70 57.23 3i04 n MET 223 Cb 0.43 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.60 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 -0.48 7.41 -0.07 7.83 3.68 -1.12 -4.93 116.67 129.00 3i04 s ASP 224 Ca 0.00 2.00 0.10 0.00 2.13 0.00 0.00 52.55 56.78 3i04 s ASP 224 Cb 0.00 -2.60 0.16 0.00 -1.45 0.00 0.00 42.92 39.02 3i04 s ASP 224 CO 0.00 -0.09 1.06 -3.20 0.13 0.00 0.00 175.17 173.07 3i04 n ASN 225 N 2.15 1.96 -4.59 -0.34 5.15 -1.26 -4.98 115.26 113.36 3i04 n ASN 225 Ca 0.01 -2.54 -0.37 0.00 -0.60 0.00 0.00 54.58 51.08 3i04 n ASN 225 Cb 0.47 -0.24 -0.11 0.00 -0.53 0.00 0.00 39.78 39.37 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 -1.96 5.91 0.26 1.20 -1.08 -1.26 -4.87 116.67 114.87 3i04 s ASP 226 Ca 0.17 -0.01 0.01 0.00 -0.52 0.00 0.00 52.55 52.21 3i04 s ASP 226 Cb 0.15 -2.08 0.35 0.00 -1.46 0.00 0.00 42.92 39.88 3i04 s ASP 226 CO 0.02 -0.01 1.69 1.55 0.52 0.00 0.00 175.17 178.93 3i04 h PRO 227 N 8.10 0.53 -0.05 4.34 0.13 -1.96 -1.63 132.00 141.45 3i04 h PRO 227 Ca -0.36 -0.21 -0.06 0.00 -0.87 0.00 0.00 66.00 64.49 3i04 h PRO 227 Cb 1.18 -0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3i04 h PRO 227 CO 0.58 0.75 -0.21 0.28 -0.23 0.00 0.00 178.00 179.18 3i04 h VAL 228 N 0.47 1.45 -0.55 1.56 2.07 -1.99 -1.91 116.25 117.34 3i04 h VAL 228 Ca 0.06 -1.63 0.10 0.00 0.82 0.00 0.00 66.70 66.05 3i04 h VAL 228 Cb 0.71 2.36 -0.07 0.00 -1.52 0.00 0.00 31.29 32.77 3i04 h VAL 228 CO 0.05 0.46 0.14 -1.13 0.02 0.00 0.00 177.57 177.11 3i04 h ASN 229 N -0.29 0.05 -0.64 0.57 -1.24 -1.98 -0.60 115.58 111.46 3i04 h ASN 229 Ca -0.01 0.09 -0.09 0.00 0.71 0.00 0.00 56.30 57.01 3i04 h ASN 229 Cb 0.85 0.12 -0.02 0.00 0.73 0.00 0.00 38.32 39.99 3i04 h ASN 229 CO 0.04 0.04 0.07 -0.07 -1.29 0.00 0.00 177.43 176.22 3i04 h LEU 230 N 0.28 1.05 -0.38 0.34 3.38 -1.30 -2.04 115.31 116.65 3i04 h LEU 230 Ca 0.28 -0.27 -0.13 0.00 0.09 0.00 0.00 57.88 57.86 3i04 h LEU 230 Cb 0.38 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.85 3i04 h LEU 230 CO -0.35 1.06 -0.26 0.58 0.09 0.00 0.00 178.44 179.57 3i04 h VAL 231 N 1.01 1.28 -0.59 1.22 2.07 -1.09 -1.58 116.25 118.56 3i04 h VAL 231 Ca 0.19 -1.41 -0.02 0.00 0.82 0.00 0.00 66.70 66.28 3i04 h VAL 231 Cb 0.49 1.37 -0.03 0.00 -1.52 0.00 0.00 31.29 31.59 3i04 h VAL 231 CO 0.02 0.47 0.29 -0.26 0.02 0.00 0.00 177.57 178.11 3i04 h PHE 232 N 0.64 0.85 -0.78 1.57 -1.00 -1.08 -0.48 116.94 116.66 3i04 h PHE 232 Ca 0.07 -0.04 0.02 0.00 2.81 0.00 0.00 57.97 60.83 3i04 h PHE 232 Cb 0.83 -0.27 -0.04 0.00 3.61 0.00 0.00 35.95 40.08 3i04 h PHE 232 CO 0.06 0.65 0.51 1.03 -1.61 0.00 0.00 178.31 178.95 3i04 h SER 233 N 0.81 0.86 -0.96 2.17 0.87 -1.24 0.65 113.55 116.71 3i04 h SER 233 Ca 0.20 -0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.82 3i04 h SER 233 Cb 0.11 -0.20 -0.07 0.00 -0.44 0.00 0.00 62.40 61.80 3i04 h SER 233 CO -0.03 0.60 0.61 0.00 -0.53 0.00 0.00 176.83 177.49 3i04 h ALA 234 N 1.31 1.34 -0.34 6.23 0.00 -0.73 -1.33 119.26 125.73 3i04 h ALA 234 Ca 0.30 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.14 3i04 h ALA 234 Cb -0.05 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.46 3i04 h ALA 234 CO -0.09 0.36 0.00 0.82 0.00 0.00 0.00 179.25 180.34 3i04 h ILE 235 N 1.08 1.26 -0.89 0.00 2.04 -0.78 -0.60 117.51 119.62 3i04 h ILE 235 Ca 0.42 -0.97 0.07 0.00 1.00 0.00 0.00 64.86 65.38 3i04 h ILE 235 Cb 0.21 1.21 -0.06 0.00 -0.74 0.00 0.00 36.82 37.44 3i04 h ILE 235 CO -0.19 0.32 0.55 -0.09 0.00 0.00 0.00 178.15 178.75 3i04 h ARG 236 N 0.42 0.97 -0.60 2.37 2.43 -0.46 -1.02 114.38 118.48 3i04 h ARG 236 Ca 0.10 -0.06 -0.06 0.00 -0.81 0.00 0.00 59.98 59.15 3i04 h ARG 236 Cb 0.45 -0.22 -0.02 0.00 -0.42 0.00 0.00 29.97 29.76 3i04 h ARG 236 CO 0.02 0.64 0.14 0.28 -1.51 0.00 0.00 179.97 179.53 3i04 h VAL 237 N 1.00 1.25 -0.74 0.20 2.07 -1.05 -1.22 116.25 117.76 3i04 h VAL 237 Ca 0.39 -0.93 -0.02 0.00 0.82 0.00 0.00 66.70 66.96 3i04 h VAL 237 Cb 0.19 0.70 -0.03 0.00 -1.52 0.00 0.00 31.29 30.63 3i04 h VAL 237 CO -0.18 0.34 0.37 0.00 0.02 0.00 0.00 177.57 178.12 3i04 h ALA 238 N 1.03 0.96 -0.10 1.67 0.00 -0.52 -0.43 119.26 121.86 3i04 h ALA 238 Ca 0.19 -0.14 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 238 Cb 0.37 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 3i04 h ALA 238 CO 0.00 0.51 -0.29 -0.07 0.00 0.00 0.00 179.25 179.40 3i04 h LEU 239 N 1.04 0.19 -0.61 0.00 3.38 -1.09 -0.71 115.31 117.51 3i04 h LEU 239 Ca 0.26 -0.06 -0.00 0.00 0.09 0.00 0.00 57.88 58.17 3i04 h LEU 239 Cb 0.10 -0.05 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3i04 h LEU 239 CO -0.03 0.48 0.38 0.00 0.09 0.00 0.00 178.44 179.35 3i04 h ALA 240 N 1.54 0.78 0.42 1.53 0.00 -0.77 -1.64 119.26 121.11 3i04 h ALA 240 Ca 0.03 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.86 3i04 h ALA 240 Cb 0.60 -0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3i04 h ALA 240 CO 0.04 0.24 -0.30 0.22 0.00 0.00 0.00 179.25 179.46 3i04 h ASP 241 N 0.83 -0.76 -0.69 0.00 -0.00 -0.71 -1.57 116.42 113.52 3i04 h ASP 241 Ca 0.22 0.05 0.15 0.00 -0.00 0.00 0.00 57.03 57.45 3i04 h ASP 241 Cb -0.04 0.24 -0.11 0.00 -0.00 0.00 0.00 39.33 39.42 3i04 h ASP 241 CO -0.04 -0.45 0.10 0.22 -0.00 0.00 0.00 179.24 179.07 3i04 h TYR 242 N -0.70 0.14 -0.36 0.28 3.20 -1.15 0.26 116.97 118.64 3i04 h TYR 242 Ca -0.04 0.04 0.05 0.00 3.14 0.00 0.00 58.73 61.92 3i04 h TYR 242 Cb 0.59 0.05 -0.04 0.00 1.54 0.00 0.00 36.73 38.86 3i04 h TYR 242 CO -0.13 -0.12 0.10 1.15 -1.64 0.00 0.00 178.16 177.52 3i04 h THR 243 N 0.20 0.85 -0.73 1.81 2.02 -1.08 -1.79 112.91 114.19 3i04 h THR 243 Ca 0.38 -0.08 -0.05 0.00 0.77 0.00 0.00 66.41 67.43 3i04 h THR 243 Cb 0.63 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 3i04 h THR 243 CO -0.52 0.04 0.27 1.23 0.37 0.00 0.00 175.52 176.91 3i04 h GLY 244 N 0.23 1.18 1.00 2.16 0.00 -0.34 -2.21 103.07 105.09 3i04 h GLY 244 Ca 0.17 -0.65 -0.04 0.00 0.00 0.00 0.00 47.33 46.81 3i04 h GLY 244 CO -0.20 0.61 0.22 0.83 0.00 0.00 0.00 176.54 178.00 3i04 h GLU 245 N 1.07 0.92 -0.25 4.80 5.08 -0.58 -1.57 114.58 124.05 3i04 h GLU 245 Ca 0.24 -0.18 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 3i04 h GLU 245 Cb 0.23 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.33 3i04 h GLU 245 CO -0.02 0.80 -0.40 1.25 -1.00 0.00 0.00 179.01 179.64 3i04 h HIS 246 N 0.85 0.70 -0.11 4.33 2.76 -1.21 0.33 115.15 122.80 3i04 h HIS 246 Ca 0.20 -0.20 0.03 0.00 -2.20 0.00 0.00 60.37 58.19 3i04 h HIS 246 Cb 0.24 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 29.02 3i04 h HIS 246 CO 0.01 0.90 -0.05 0.82 -1.30 0.00 0.00 177.93 178.31 3i04 h ILE 247 N 0.48 0.83 -0.20 6.26 2.04 -1.31 -1.37 117.51 124.25 3i04 h ILE 247 Ca 0.04 0.00 0.03 0.00 1.00 0.00 0.00 64.86 65.93 3i04 h ILE 247 Cb 0.91 0.83 -0.03 0.00 -0.74 0.00 0.00 36.82 37.79 3i04 h ILE 247 CO 0.08 0.00 0.00 0.00 0.00 0.00 0.00 178.15 178.23 3i04 h ALA 248 N 1.06 0.18 0.06 1.87 0.00 -0.78 -1.45 119.26 120.20 3i04 h ALA 248 Ca 0.06 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 248 Cb 0.13 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.01 3i04 h ALA 248 CO -0.13 -0.43 -0.03 1.15 0.00 0.00 0.00 179.25 179.81 3i04 h THR 249 N 0.07 0.97 -0.18 0.00 2.02 -0.95 -1.02 112.91 113.83 3i04 h THR 249 Ca 0.10 -0.09 0.05 0.00 0.77 0.00 0.00 66.41 67.23 3i04 h THR 249 Cb 0.12 1.03 -0.05 0.00 -1.74 0.00 0.00 68.15 67.51 3i04 h THR 249 CO -0.16 0.02 -0.12 0.44 0.37 0.00 0.00 175.52 176.08 3i04 h ASP 250 N -0.12 -0.38 0.75 4.18 3.32 -1.05 -1.73 116.42 121.39 3i04 h ASP 250 Ca -0.01 0.08 -0.15 0.00 0.02 0.00 0.00 57.03 56.98 3i04 h ASP 250 Cb 0.10 0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.83 3i04 h ASP 250 CO 0.01 -0.16 -0.70 -0.26 -1.72 0.00 0.00 179.24 176.41 3i04 h PHE 251 N -0.12 0.00 -0.82 4.55 0.04 -1.27 -1.68 116.94 117.64 3i04 h PHE 251 Ca 0.11 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.84 3i04 h PHE 251 Cb 0.27 0.00 -0.04 0.00 2.20 0.00 0.00 35.95 38.39 3i04 h PHE 251 CO -0.26 0.70 0.37 0.77 -0.60 0.00 0.00 178.31 179.28 3i04 h SER 252 N 0.00 1.10 -0.36 2.17 0.02 -1.01 -1.15 113.55 114.32 3i04 h SER 252 Ca -0.01 -0.15 -0.06 0.00 -0.84 0.00 0.00 61.79 60.73 3i04 h SER 252 Cb 1.27 -0.28 -0.01 0.00 0.14 0.00 0.00 62.40 63.51 3i04 h SER 252 CO 0.09 0.94 -0.02 0.44 -1.14 0.00 0.00 176.83 177.14 3i04 h ASP 253 N 1.17 0.64 -0.40 3.07 3.32 -1.21 -0.69 116.42 122.32 3i04 h ASP 253 Ca 0.28 -0.32 0.01 0.00 0.02 0.00 0.00 57.03 57.02 3i04 h ASP 253 Cb 0.16 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 39.51 3i04 h ASP 253 CO -0.03 0.81 0.24 0.40 -1.72 0.00 0.00 179.24 178.94 3i04 h ILE 254 N 0.45 1.05 0.00 0.35 2.04 -1.16 0.13 117.51 120.38 3i04 h ILE 254 Ca 0.10 -0.17 -0.14 0.00 1.00 0.00 0.00 64.86 65.65 3i04 h ILE 254 Cb 0.50 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.08 3i04 h ILE 254 CO 0.02 0.09 -0.70 -0.07 0.00 0.00 0.00 178.15 177.49 3i04 h LEU 255 N 0.49 0.00 -0.01 1.44 3.38 -1.23 0.64 115.31 120.01 3i04 h LEU 255 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 3i04 h LEU 255 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3i04 h LEU 255 CO -0.06 0.64 0.00 0.49 0.09 0.00 0.00 178.44 179.59 3i04 n PHE 256 N -3.23 0.00 0.00 1.13 0.99 -0.27 -3.90 117.46 112.18 3i04 n PHE 256 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.45 3i04 n PHE 256 Cb 0.80 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.28 3i04 n PHE 256 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3i04 n GLY 257 N 0.64 2.35 3.67 1.37 0.00 0.43 -4.97 105.19 108.69 3i04 n GLY 257 Ca 0.00 -1.55 -0.42 0.00 0.00 0.00 0.00 46.02 44.04 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 -0.95 3.83 0.49 2.61 2.01 -1.23 -4.45 115.64 117.96 3i04 s THR 258 Ca 0.00 1.13 -0.22 0.00 0.31 0.00 0.00 61.69 62.90 3i04 s THR 258 Cb 0.00 -3.72 -0.08 0.00 0.01 0.00 0.00 72.50 68.70 3i04 s THR 258 CO 0.00 -0.05 1.05 -2.65 -0.69 0.00 0.00 174.62 172.28 3i04 n PRO 259 N 6.07 1.31 -4.34 4.92 -0.02 -1.26 -5.03 135.00 136.64 3i04 n PRO 259 Ca 0.14 0.48 -0.18 0.00 -2.02 0.00 0.00 63.50 61.92 3i04 n PRO 259 Cb 0.44 -2.16 -0.10 0.00 -0.02 0.00 0.00 33.50 31.65 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 -2.33 1.34 0.23 -0.52 -1.52 -1.16 -4.00 119.66 111.69 3i04 s GLN 260 Ca 0.67 -1.64 -0.31 0.00 -1.95 0.00 0.00 55.36 52.13 3i04 s GLN 260 Cb -0.49 -0.88 -0.15 0.00 -0.22 0.00 0.00 33.01 31.27 3i04 s GLN 260 CO 0.53 0.04 1.19 -2.30 -0.25 0.00 0.00 175.29 174.50 3i04 n PRO 261 N -0.41 1.47 -3.75 2.91 -0.02 -1.19 -4.33 135.00 129.67 3i04 n PRO 261 Ca -0.07 0.52 -0.13 0.00 -2.02 0.00 0.00 63.50 61.80 3i04 n PRO 261 Cb 0.62 -2.03 -0.08 0.00 -0.02 0.00 0.00 33.50 31.99 3i04 n PRO 261 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3i04 s VAL 262 N -0.42 0.06 -0.02 -1.45 0.11 -0.61 -4.96 120.40 113.11 3i04 s VAL 262 Ca 0.67 -0.49 0.04 0.00 -2.93 0.00 0.00 61.98 59.27 3i04 s VAL 262 Cb -0.75 -0.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.38 3i04 s VAL 262 CO 0.54 -0.27 -0.13 -0.69 -3.33 0.00 0.00 175.10 171.22 3i04 s VAL 263 N -1.55 3.15 0.00 2.04 1.01 -1.26 -1.82 120.40 121.97 3i04 s VAL 263 Ca -0.12 -0.84 0.00 0.00 0.00 0.00 0.00 61.98 61.03 3i04 s VAL 263 Cb -0.04 -2.29 0.00 0.00 0.00 0.00 0.00 36.38 34.05 3i04 s VAL 263 CO 0.03 0.49 0.00 -0.24 0.00 0.00 0.00 175.10 175.38 3i04 n SER 264 N 1.95 0.00 -4.27 3.32 2.88 -0.06 -4.90 113.62 112.54 3i04 n SER 264 Ca -0.17 0.00 -0.15 0.00 -1.33 0.00 0.00 58.87 57.23 3i04 n SER 264 Cb 0.52 0.00 -0.10 0.00 -0.75 0.00 0.00 64.21 63.88 3i04 n SER 264 CO 0.00 0.00 0.00 -1.61 -1.23 0.00 0.00 175.04 172.20 3i04 s GLU 265 N 1.08 1.29 -0.11 -1.46 2.02 -1.26 -1.24 118.70 119.02 3i04 s GLU 265 Ca 0.00 -1.68 -0.17 0.00 0.02 0.00 0.00 54.97 53.14 3i04 s GLU 265 Cb 0.00 -0.16 0.04 0.00 0.10 0.00 0.00 34.13 34.12 3i04 s GLU 265 CO 0.00 -0.27 0.44 0.00 0.02 0.00 0.00 175.26 175.45 3i04 s ALA 266 N -3.81 -1.10 0.00 5.21 0.00 -0.12 -2.17 121.76 119.76 3i04 s ALA 266 Ca 0.34 1.00 0.00 0.00 0.00 0.00 0.00 51.96 53.31 3i04 s ALA 266 Cb 0.07 -0.41 0.00 0.00 0.00 0.00 0.00 23.12 22.78 3i04 s ALA 266 CO 0.11 -0.25 0.00 -1.71 0.00 0.00 0.00 175.76 173.91 3i04 n ASN 267 N 2.13 0.00 0.07 0.00 2.85 -0.24 -1.10 115.26 118.96 3i04 n ASN 267 Ca -0.16 0.00 0.07 0.00 -0.11 0.00 0.00 54.58 54.38 3i04 n ASN 267 Cb 0.57 0.00 0.33 0.00 1.24 0.00 0.00 39.78 41.92 3i04 n ASN 267 CO 0.00 0.00 0.00 0.23 -2.11 0.00 0.00 177.26 175.38 3i04 n MET 268 N 1.23 0.08 0.00 1.20 2.81 -1.05 -1.89 117.12 119.50 3i04 n MET 268 Ca 0.00 0.45 0.10 0.00 -1.81 0.00 0.00 57.70 56.44 3i04 n MET 268 Cb 0.00 -1.69 0.48 0.00 -0.71 0.00 0.00 33.22 31.30 3i04 n MET 268 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 3i04 n GLY 269 N -0.69 -1.11 0.16 3.03 0.00 -0.29 -1.74 105.19 104.56 3i04 n GLY 269 Ca 0.01 -0.08 0.13 0.00 0.00 0.00 0.00 46.02 46.08 3i04 n GLY 269 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 3i04 h VAL 270 N 0.00 0.00 -4.19 1.61 -1.51 -1.60 -3.45 116.25 107.11 3i04 h VAL 270 Ca 0.00 -0.26 -0.50 0.00 -1.23 0.00 0.00 66.70 64.71 3i04 h VAL 270 Cb 0.28 1.02 0.08 0.00 -2.13 0.00 0.00 31.29 30.55 3i04 h VAL 270 CO 0.00 0.00 0.38 -0.76 -1.23 0.00 0.00 177.57 175.96 3i04 s LEU 271 N -4.81 3.47 -0.13 4.19 1.43 -0.71 -5.04 118.68 117.07 3i04 s LEU 271 Ca 0.03 1.92 -0.04 0.00 -1.03 0.00 0.00 54.13 55.01 3i04 s LEU 271 Cb 0.09 -4.54 0.06 0.00 0.03 0.00 0.00 46.19 41.83 3i04 s LEU 271 CO 0.40 -1.37 0.20 -0.62 0.23 0.00 0.00 176.35 175.20 3i04 s ASP 272 N -2.63 0.83 0.00 2.29 -1.08 -1.26 -5.03 116.67 109.79 3i04 s ASP 272 Ca 0.66 0.24 0.08 0.00 -0.52 0.00 0.00 52.55 53.01 3i04 s ASP 272 Cb -0.18 0.41 0.36 0.00 -1.46 0.00 0.00 42.92 42.05 3i04 s ASP 272 CO 0.38 -0.27 1.25 -0.81 0.52 0.00 0.00 175.17 176.25 3i04 n PRO 273 N 5.33 0.01 -0.08 4.34 -0.04 -1.26 -2.61 135.00 140.70 3i04 n PRO 273 Ca -0.05 0.35 0.07 0.00 -0.04 0.00 0.00 63.50 63.82 3i04 n PRO 273 Cb 0.50 -1.50 0.10 0.00 -0.04 0.00 0.00 33.50 32.56 3i04 n PRO 273 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 3i04 n ASP 274 N -1.48 2.49 -4.68 3.54 8.00 -1.26 -4.94 116.55 118.22 3i04 n ASP 274 Ca 0.02 -1.72 -0.25 0.00 0.71 0.00 0.00 54.79 53.55 3i04 n ASP 274 Cb 0.09 -0.10 -0.08 0.00 -0.02 0.00 0.00 41.12 41.01 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 -1.09 2.17 -0.43 -1.24 -0.21 -1.07 -0.51 119.66 117.28 3i04 s GLN 275 Ca 0.20 -1.77 -0.29 0.00 0.02 0.00 0.00 55.36 53.53 3i04 s GLN 275 Cb 0.13 -1.97 0.02 0.00 1.00 0.00 0.00 33.01 32.19 3i04 s GLN 275 CO 0.18 0.04 1.28 0.08 -2.12 0.00 0.00 175.29 174.75 3i04 s VAL 276 N -2.54 4.07 -0.54 1.09 1.01 0.06 -4.85 120.40 118.70 3i04 s VAL 276 Ca 0.37 1.11 -0.26 0.00 0.00 0.00 0.00 61.98 63.20 3i04 s VAL 276 Cb 0.01 -4.38 0.03 0.00 0.00 0.00 0.00 36.38 32.05 3i04 s VAL 276 CO 0.21 -0.83 1.04 0.20 0.00 0.00 0.00 175.10 175.72 3i04 s ASN 277 N 3.13 6.42 -0.28 3.32 0.01 -1.26 0.14 114.94 126.42 3i04 s ASN 277 Ca 0.55 -0.06 -0.03 0.00 -0.71 0.00 0.00 52.86 52.61 3i04 s ASN 277 Cb -0.11 -2.49 0.03 0.00 0.41 0.00 0.00 41.25 39.09 3i04 s ASN 277 CO 0.31 -1.29 -0.01 0.12 -1.51 0.00 0.00 177.10 174.72 3i04 s PHE 278 N 4.31 3.16 -0.12 2.20 5.36 -0.54 -1.91 117.98 130.44 3i04 s PHE 278 Ca 0.37 -1.58 -0.23 0.00 -0.96 0.00 0.00 56.93 54.54 3i04 s PHE 278 Cb -0.10 -2.12 -0.03 0.00 -0.34 0.00 0.00 43.02 40.43 3i04 s PHE 278 CO 0.23 -0.73 0.68 0.08 -1.46 0.00 0.00 175.22 174.02 3i04 s VAL 279 N 1.33 5.03 -0.34 3.12 1.01 0.13 -1.97 120.40 128.71 3i04 s VAL 279 Ca -0.02 1.36 -0.17 0.00 0.00 0.00 0.00 61.98 63.16 3i04 s VAL 279 Cb -0.18 -4.01 -0.01 0.00 0.00 0.00 0.00 36.38 32.18 3i04 s VAL 279 CO -0.02 0.19 0.44 -0.76 0.00 0.00 0.00 175.10 174.95 3i04 s LEU 280 N 1.28 4.36 0.06 3.92 1.43 0.19 -0.70 118.68 129.22 3i04 s LEU 280 Ca 0.34 -0.08 0.04 0.00 -1.03 0.00 0.00 54.13 53.39 3i04 s LEU 280 Cb -0.17 -2.47 -0.03 0.00 0.03 0.00 0.00 46.19 43.56 3i04 s LEU 280 CO 0.14 -0.39 -0.11 -2.28 0.23 0.00 0.00 176.35 173.95 3i04 s HIS 281 N 2.20 0.93 0.00 0.29 2.46 -0.99 -0.71 115.29 119.46 3i04 s HIS 281 Ca 0.15 -0.50 0.00 0.00 0.47 0.00 0.00 55.06 55.19 3i04 s HIS 281 Cb -0.16 -0.53 0.00 0.00 -0.13 0.00 0.00 32.58 31.76 3i04 s HIS 281 CO 0.12 -0.02 0.00 0.41 -2.47 0.00 0.00 174.74 172.78 3i04 n GLY 282 N 1.31 0.18 0.00 1.59 0.00 -1.26 -2.93 105.19 104.09 3i04 n GLY 282 Ca -0.22 -1.71 0.00 0.00 0.00 0.00 0.00 46.02 44.09 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 -3.44 1.61 8.25 -1.19 -1.14 115.22 119.32 3i04 n HIS 283 Ca 0.00 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.06 3i04 n HIS 283 Cb 0.00 0.00 -0.10 0.00 1.12 0.00 0.00 29.99 31.01 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 -1.56 6.16 0.00 0.41 3.04 -1.26 -4.07 114.94 117.65 3i04 s ASN 284 Ca 0.00 -0.15 0.15 0.00 0.04 0.00 0.00 52.86 52.90 3i04 s ASN 284 Cb 0.00 -2.18 0.75 0.00 -1.54 0.00 0.00 41.25 38.28 3i04 s ASN 284 CO 0.00 -0.27 1.42 -0.81 -3.04 0.00 0.00 177.10 174.40 3i04 n PRO 285 N 5.30 0.20 -0.05 0.43 -0.04 -1.26 -2.40 135.00 137.18 3i04 n PRO 285 Ca -0.10 0.15 0.23 0.00 -0.04 0.00 0.00 63.50 63.74 3i04 n PRO 285 Cb 0.50 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.16 3i04 n PRO 285 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 3i04 h LEU 286 N 0.00 0.00 0.00 1.53 3.38 -2.00 -0.42 115.31 117.80 3i04 h LEU 286 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3i04 h LEU 286 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 3i04 h LEU 286 CO 0.00 0.00 -0.14 0.25 0.09 0.00 0.00 178.44 178.64 3i04 h LEU 287 N 0.00 0.00 -1.06 1.67 5.85 -1.91 -3.38 115.31 116.48 3i04 h LEU 287 Ca 0.30 0.00 0.08 0.00 0.84 0.00 0.00 57.88 59.10 3i04 h LEU 287 Cb 1.23 0.00 -0.07 0.00 0.37 0.00 0.00 40.66 42.19 3i04 h LEU 287 CO -0.00 0.32 0.63 0.77 -0.34 0.00 0.00 178.44 179.82 3i04 h SER 288 N -0.51 0.97 -0.62 1.25 4.64 -1.59 -1.08 113.55 116.61 3i04 h SER 288 Ca 0.00 0.02 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 3i04 h SER 288 Cb 0.14 -0.19 -0.03 0.00 -0.31 0.00 0.00 62.40 62.01 3i04 h SER 288 CO 0.00 0.59 0.40 -0.33 -0.87 0.00 0.00 176.83 176.62 3i04 h GLU 289 N 1.08 0.83 -0.42 4.77 4.39 -1.34 -0.91 114.58 122.99 3i04 h GLU 289 Ca 0.44 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 60.00 3i04 h GLU 289 Cb 0.26 -0.18 -0.02 0.00 -0.10 0.00 0.00 28.75 28.71 3i04 h GLU 289 CO -0.19 0.57 -0.05 0.82 -1.16 0.00 0.00 179.01 179.01 3i04 h ILE 290 N 0.85 1.24 -0.51 3.13 1.08 -1.53 -2.47 117.51 119.30 3i04 h ILE 290 Ca 0.23 -1.03 -0.03 0.00 -0.39 0.00 0.00 64.86 63.64 3i04 h ILE 290 Cb -0.06 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 34.64 3i04 h ILE 290 CO -0.05 0.35 0.20 0.40 -0.69 0.00 0.00 178.15 178.37 3i04 h ILE 291 N 0.65 1.21 -0.43 -0.67 1.08 -0.69 -0.43 117.51 118.23 3i04 h ILE 291 Ca 0.12 -0.66 0.08 0.00 -0.39 0.00 0.00 64.86 64.01 3i04 h ILE 291 Cb 0.48 0.70 -0.07 0.00 -3.07 0.00 0.00 36.82 34.86 3i04 h ILE 291 CO 0.02 0.25 0.03 0.58 -0.69 0.00 0.00 178.15 178.34 3i04 h VAL 292 N 0.68 0.70 -0.66 1.67 2.07 -1.08 0.14 116.25 119.77 3i04 h VAL 292 Ca 0.17 -0.05 -0.08 0.00 0.82 0.00 0.00 66.70 67.56 3i04 h VAL 292 Cb 0.19 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 30.48 3i04 h VAL 292 CO -0.01 0.03 0.09 -0.61 0.02 0.00 0.00 177.57 177.08 3i04 h GLN 293 N 0.15 1.11 -0.35 1.57 4.15 -1.16 -2.70 115.11 117.88 3i04 h GLN 293 Ca 0.22 -0.31 -0.14 0.00 0.77 0.00 0.00 58.65 59.19 3i04 h GLN 293 Cb 0.30 -0.13 -0.01 0.00 0.21 0.00 0.00 27.48 27.86 3i04 h GLN 293 CO -0.33 1.03 -0.33 0.00 -1.93 0.00 0.00 178.83 177.26 3i04 h ALA 294 N 1.04 0.51 -0.44 3.38 0.00 -0.88 -3.27 119.26 119.60 3i04 h ALA 294 Ca 0.20 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.63 3i04 h ALA 294 Cb 0.46 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3i04 h ALA 294 CO 0.02 0.57 0.07 0.00 0.00 0.00 0.00 179.25 179.90 3i04 h ALA 295 N 0.75 1.29 -0.82 0.00 0.00 -0.55 0.05 119.26 119.96 3i04 h ALA 295 Ca 0.06 -0.20 0.20 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 295 Cb 0.92 -0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.47 3i04 h ALA 295 CO 0.08 0.49 0.57 0.00 0.00 0.00 0.00 179.25 180.39 3i04 h ARG 296 N 0.66 0.23 -0.01 0.00 3.08 -1.53 -2.05 114.38 114.75 3i04 h ARG 296 Ca 0.14 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3i04 h ARG 296 Cb 0.31 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.31 3i04 h ARG 296 CO 0.00 0.15 -0.34 0.39 -1.07 0.00 0.00 179.97 179.11 3i04 n GLU 297 N -4.42 0.95 -0.20 0.04 1.02 -0.05 -4.22 120.64 113.76 3i04 n GLU 297 Ca 0.17 -0.65 0.07 0.00 -0.02 0.00 0.00 57.16 56.73 3i04 n GLU 297 Cb 0.74 -1.49 0.18 0.00 -0.02 0.00 0.00 31.44 30.85 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 -0.45 2.64 0.01 3.49 2.81 -0.77 -4.64 117.12 120.21 3i04 n MET 298 Ca 0.11 -2.11 -0.11 0.00 -1.81 0.00 0.00 57.70 53.78 3i04 n MET 298 Cb 0.39 -1.33 -0.06 0.00 -0.71 0.00 0.00 33.22 31.51 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 2.58 0.03 -0.99 0.03 4.39 -1.73 -1.98 114.58 116.92 3i04 h GLU 299 Ca 0.00 -0.00 0.06 0.00 0.34 0.00 0.00 59.36 59.75 3i04 h GLU 299 Cb 0.77 -0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.35 3i04 h GLU 299 CO 0.00 0.02 0.64 0.78 -1.16 0.00 0.00 179.01 179.29 3i04 h GLY 300 N 0.03 1.49 1.23 -3.84 0.00 -1.92 -2.36 103.07 97.69 3i04 h GLY 300 Ca 0.03 -0.47 -0.03 0.00 0.00 0.00 0.00 47.33 46.85 3i04 h GLY 300 CO -0.04 0.36 0.31 -2.09 0.00 0.00 0.00 176.54 175.07 3i04 h GLU 301 N 1.18 1.00 -0.26 4.80 4.81 -1.76 -1.02 114.58 123.33 3i04 h GLU 301 Ca 0.42 -0.15 -0.07 0.00 -0.13 0.00 0.00 59.36 59.43 3i04 h GLU 301 Cb 0.12 -0.18 -0.01 0.00 0.63 0.00 0.00 28.75 29.31 3i04 h GLU 301 CO -0.16 0.79 -0.11 0.00 -0.73 0.00 0.00 179.01 178.80 3i04 h ALA 302 N 1.35 0.36 -0.09 2.92 0.00 -0.97 -2.86 119.26 119.98 3i04 h ALA 302 Ca 0.24 -0.30 0.04 0.00 0.00 0.00 0.00 54.91 54.89 3i04 h ALA 302 Cb 0.14 -0.09 -0.06 0.00 0.00 0.00 0.00 17.79 17.77 3i04 h ALA 302 CO -0.03 0.21 -0.42 0.87 0.00 0.00 0.00 179.25 179.88 3i04 h LYS 303 N 0.27 -0.50 -0.24 0.00 1.79 -1.19 -0.91 116.57 115.80 3i04 h LYS 303 Ca 0.06 0.03 0.07 0.00 -2.18 0.00 0.00 60.65 58.63 3i04 h LYS 303 Cb 0.61 0.11 -0.01 0.00 -1.58 0.00 0.00 32.23 31.36 3i04 h LYS 303 CO 0.03 -0.33 0.28 0.00 -1.08 0.00 0.00 179.45 178.35 3i04 h ALA 304 N 0.06 1.85 0.00 3.86 0.00 -1.20 0.94 119.26 124.76 3i04 h ALA 304 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3i04 h ALA 304 Cb 0.64 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 3i04 h ALA 304 CO -0.37 -0.40 0.00 0.00 0.00 0.00 0.00 179.25 178.48 3i04 n ALA 305 N -2.30 2.24 0.00 0.00 0.00 -0.39 -4.94 120.51 115.12 3i04 n ALA 305 Ca 0.03 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.42 3i04 n ALA 305 Cb 0.41 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.41 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 1.24 1.13 3.82 0.00 0.00 0.32 -4.75 105.19 106.95 3i04 n GLY 306 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 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 2.97 -0.34 4.61 0.00 -0.94 -4.95 121.76 121.02 3i04 s ALA 307 Ca 0.00 0.39 0.26 0.00 0.00 0.00 0.00 51.96 52.62 3i04 s ALA 307 Cb 0.00 -3.18 0.72 0.00 0.00 0.00 0.00 23.12 20.66 3i04 s ALA 307 CO 0.00 -0.19 1.74 0.87 0.00 0.00 0.00 175.76 178.18 3i04 h LYS 308 N 1.38 0.00 0.00 0.00 1.57 -1.10 -3.29 116.57 115.14 3i04 h LYS 308 Ca -0.48 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.30 3i04 h LYS 308 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 3i04 h LYS 308 CO 0.60 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 179.89 3i04 n GLY 309 N 0.78 -2.34 3.64 3.86 0.00 -1.26 -4.92 105.19 104.95 3i04 n GLY 309 Ca 0.03 -1.23 -0.39 0.00 0.00 0.00 0.00 46.02 44.44 3i04 n GLY 309 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3i04 s ILE 310 N -2.10 5.17 -0.58 -0.61 1.01 -1.26 -0.76 121.20 122.07 3i04 s ILE 310 Ca 0.00 0.68 -0.07 0.00 0.00 0.00 0.00 60.65 61.27 3i04 s ILE 310 Cb 0.00 -3.73 0.15 0.00 0.01 0.00 0.00 42.46 38.89 3i04 s ILE 310 CO 0.00 0.20 0.43 0.21 0.00 0.00 0.00 174.94 175.78 3i04 s ASN 311 N 1.31 5.63 0.04 3.58 2.47 0.37 -4.89 114.94 123.45 3i04 s ASN 311 Ca 0.18 -2.43 -0.30 0.00 0.42 0.00 0.00 52.86 50.73 3i04 s ASN 311 Cb -0.15 -1.96 -0.04 0.00 -1.45 0.00 0.00 41.25 37.65 3i04 s ASN 311 CO 0.09 -0.53 0.98 -0.76 -3.72 0.00 0.00 177.10 173.16 3i04 s LEU 312 N 0.58 4.42 0.10 3.21 1.43 -1.26 -1.47 118.68 125.68 3i04 s LEU 312 Ca 0.12 1.72 0.03 0.00 -1.03 0.00 0.00 54.13 54.97 3i04 s LEU 312 Cb -0.21 -3.58 -0.04 0.00 0.03 0.00 0.00 46.19 42.40 3i04 s LEU 312 CO -0.04 -0.20 -0.09 0.68 0.23 0.00 0.00 176.35 176.94 3i04 s VAL 313 N 0.64 0.85 0.24 -1.59 -7.23 -0.83 -4.33 120.40 108.15 3i04 s VAL 313 Ca 0.50 -1.76 0.11 0.00 -1.81 0.00 0.00 61.98 59.02 3i04 s VAL 313 Cb -0.22 -1.49 -0.05 0.00 0.56 0.00 0.00 36.38 35.19 3i04 s VAL 313 CO 0.29 -0.69 -0.18 -0.83 -0.31 0.00 0.00 175.10 173.38 3i04 s GLY 314 N -2.70 1.78 -0.01 2.32 0.00 0.08 -0.64 107.32 108.16 3i04 s GLY 314 Ca 0.08 -1.72 0.03 0.00 0.00 0.00 0.00 44.72 43.11 3i04 s GLY 314 CO -0.02 -1.78 -0.10 -0.42 0.00 0.00 0.00 173.10 170.79 3i04 s ILE 315 N -2.09 0.76 0.00 0.90 1.01 0.11 -0.16 121.20 121.73 3i04 s ILE 315 Ca 0.26 -0.41 0.00 0.00 0.00 0.00 0.00 60.65 60.50 3i04 s ILE 315 Cb -0.07 -0.64 0.00 0.00 0.01 0.00 0.00 42.46 41.76 3i04 s ILE 315 CO 0.14 0.22 0.00 0.00 0.00 0.00 0.00 174.94 175.29 3i04 h THR 318 N 0.56 1.02 -0.70 0.00 1.03 -1.27 0.66 112.91 114.21 3i04 h THR 318 Ca 0.07 -1.17 -0.06 0.00 -0.01 0.00 0.00 66.41 65.24 3i04 h THR 318 Cb 0.78 1.67 -0.03 0.00 -1.07 0.00 0.00 68.15 69.50 3i04 h THR 318 CO 0.06 0.31 0.21 1.23 -0.01 0.00 0.00 175.52 177.32 3i04 h GLY 319 N 1.29 1.17 1.06 2.99 0.00 -1.05 -2.53 103.07 106.00 3i04 h GLY 319 Ca -0.00 -0.70 -0.04 0.00 0.00 0.00 0.00 47.33 46.59 3i04 h GLY 319 CO 0.04 0.66 0.36 3.43 0.00 0.00 0.00 176.54 181.02 3i04 h ASN 320 N 1.03 1.10 -0.48 0.19 2.35 -0.29 -0.93 115.58 118.55 3i04 h ASN 320 Ca 0.22 -0.15 0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3i04 h ASN 320 Cb 0.31 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.36 3i04 h ASN 320 CO -0.01 0.95 0.23 -0.33 -1.65 0.00 0.00 177.43 176.62 3i04 h GLU 321 N 1.18 0.44 0.00 0.81 4.39 -0.72 0.63 114.58 121.31 3i04 h GLU 321 Ca 0.28 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.86 3i04 h GLU 321 Cb 0.17 -0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 3i04 h GLU 321 CO -0.03 0.29 -0.74 -0.39 -1.16 0.00 0.00 179.01 176.98 3i04 h VAL 322 N 0.45 0.54 0.32 3.13 -1.51 -1.33 -2.41 116.25 115.44 3i04 h VAL 322 Ca 0.21 -1.83 -0.02 0.00 -1.23 0.00 0.00 66.70 63.83 3i04 h VAL 322 Cb 0.14 2.14 0.00 0.00 -2.13 0.00 0.00 31.29 31.44 3i04 h VAL 322 CO -0.16 0.31 -0.16 0.25 -1.23 0.00 0.00 177.57 176.58 3i04 h LEU 323 N 0.00 -0.38 -1.30 4.19 5.85 -1.01 0.33 115.31 122.99 3i04 h LEU 323 Ca -0.05 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.64 3i04 h LEU 323 Cb 1.34 0.10 -0.02 0.00 0.37 0.00 0.00 40.66 42.45 3i04 h LEU 323 CO 0.04 -0.27 -0.04 0.24 -0.34 0.00 0.00 178.44 178.07 3i04 h MET 324 N -0.44 0.42 0.00 1.25 2.86 -0.78 -2.09 114.93 116.15 3i04 h MET 324 Ca -0.04 -0.09 -0.24 0.00 -2.06 0.00 0.00 59.70 57.27 3i04 h MET 324 Cb 0.34 -0.06 -0.04 0.00 0.06 0.00 0.00 31.60 31.89 3i04 h MET 324 CO 0.07 0.48 -2.00 0.54 1.06 0.00 0.00 176.91 177.06 3i04 n ARG 325 N -4.28 1.34 0.00 1.72 1.74 -0.91 -4.29 116.66 111.98 3i04 n ARG 325 Ca 0.01 -0.03 0.00 0.00 -0.77 0.00 0.00 57.85 57.06 3i04 n ARG 325 Cb 0.25 -1.39 0.00 0.00 -1.02 0.00 0.00 32.46 30.30 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 -2.49 -0.49 -1.09 5.56 1.13 0.11 -4.99 117.38 115.13 3i04 n GLN 326 Ca -0.22 -0.25 -0.03 0.00 -1.94 0.00 0.00 57.00 54.57 3i04 n GLN 326 Cb 0.91 -0.75 -0.01 0.00 0.11 0.00 0.00 30.24 30.50 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 -0.00 0.60 3.72 1.08 0.00 -0.64 -4.93 105.19 105.03 3i04 n GLY 327 Ca 0.00 -0.41 -0.42 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.98 3.10 0.67 -0.61 -1.09 -0.96 -4.75 121.20 115.59 3i04 s ILE 328 Ca 0.00 0.81 -0.14 0.00 -2.23 0.00 0.00 60.65 59.09 3i04 s ILE 328 Cb 0.00 -3.52 0.00 0.00 -1.58 0.00 0.00 42.46 37.37 3i04 s ILE 328 CO 0.00 0.07 1.09 -2.16 -1.23 0.00 0.00 174.94 172.71 3i04 s PRO 329 N 0.95 2.82 -0.10 2.79 0.04 -1.26 -3.65 135.00 136.59 3i04 s PRO 329 Ca 0.65 1.25 -0.16 0.00 0.04 0.00 0.00 61.00 62.78 3i04 s PRO 329 Cb -0.39 -1.96 -0.05 0.00 0.04 0.00 0.00 34.50 32.14 3i04 s PRO 329 CO 0.32 -1.21 0.41 -0.51 0.04 0.00 0.00 177.00 176.04 3i04 s LEU 330 N -5.09 4.31 -0.06 -3.56 1.43 -0.92 -0.74 118.68 114.05 3i04 s LEU 330 Ca 0.64 0.76 -0.16 0.00 -1.03 0.00 0.00 54.13 54.34 3i04 s LEU 330 Cb -0.18 -2.57 -0.30 0.00 0.03 0.00 0.00 46.19 43.17 3i04 s LEU 330 CO 0.45 0.11 0.71 1.62 0.23 0.00 0.00 176.35 179.47 3i04 h VAL 331 N 4.46 1.15 -2.41 -1.59 3.04 -0.81 -0.63 116.25 119.46 3i04 h VAL 331 Ca -0.44 -2.50 0.17 0.00 -1.01 0.00 0.00 66.70 62.93 3i04 h VAL 331 Cb 1.18 2.88 -0.03 0.00 -2.01 0.00 0.00 31.29 33.31 3i04 h VAL 331 CO 0.72 0.76 0.59 1.07 -1.01 0.00 0.00 177.57 179.70 3i04 n THR 332 N -3.87 0.00 -4.37 3.17 5.66 -1.24 -2.53 114.28 111.11 3i04 n THR 332 Ca -0.21 -0.46 -0.17 0.00 -3.05 0.00 0.00 64.05 60.16 3i04 n THR 332 Cb 0.95 0.68 -0.04 0.00 -1.55 0.00 0.00 70.33 70.37 3i04 n THR 332 CO 0.00 0.00 0.00 -1.54 -3.05 0.00 0.00 175.07 170.48 3i04 n SER 333 N -1.20 1.78 -0.26 1.09 3.41 -1.26 -3.98 113.62 113.19 3i04 n SER 333 Ca -0.01 -2.34 -0.09 0.00 -0.26 0.00 0.00 58.87 56.17 3i04 n SER 333 Cb 0.53 0.48 -0.08 0.00 -0.26 0.00 0.00 64.21 64.88 3i04 n SER 333 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 3i04 h PHE 334 N 1.32 -1.44 0.00 7.33 3.57 -1.95 -2.87 116.94 122.91 3i04 h PHE 334 Ca -0.22 0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.35 3i04 h PHE 334 Cb 0.76 0.71 -0.00 0.00 2.79 0.00 0.00 35.95 40.21 3i04 h PHE 334 CO 0.00 -0.32 -0.08 0.00 -2.23 0.00 0.00 178.31 175.68 3i04 h ALA 335 N 0.02 1.06 -0.45 2.41 0.00 -1.98 -3.01 119.26 117.31 3i04 h ALA 335 Ca 0.10 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 335 Cb 0.36 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.14 3i04 h ALA 335 CO -0.65 0.10 0.00 -1.13 0.00 0.00 0.00 179.25 177.57 3i04 n SER 336 N -3.28 3.80 -0.35 0.00 3.41 -1.09 -4.69 113.62 111.42 3i04 n SER 336 Ca -0.00 -2.37 0.12 0.00 -0.26 0.00 0.00 58.87 56.36 3i04 n SER 336 Cb 0.30 -0.43 0.32 0.00 -0.26 0.00 0.00 64.21 64.14 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 2.80 0.76 -0.15 4.33 3.07 -1.44 -1.30 115.11 123.17 3i04 h GLN 337 Ca 0.00 -0.05 -0.10 0.00 0.09 0.00 0.00 58.65 58.59 3i04 h GLN 337 Cb 1.14 -0.17 -0.01 0.00 0.08 0.00 0.00 27.48 28.51 3i04 h GLN 337 CO 0.12 0.50 -0.35 0.93 0.09 0.00 0.00 178.83 180.12 3i04 h GLU 338 N 0.78 0.31 0.00 0.06 5.08 -1.86 -3.11 114.58 115.84 3i04 h GLU 338 Ca 0.57 -0.13 -0.06 0.00 -1.00 0.00 0.00 59.36 58.73 3i04 h GLU 338 Cb 0.86 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.09 3i04 h GLU 338 CO -0.36 0.63 -0.31 -0.07 -1.00 0.00 0.00 179.01 177.90 3i04 h LEU 339 N 0.27 0.00 -1.34 1.33 -0.00 -1.59 -1.64 115.31 112.33 3i04 h LEU 339 Ca 0.03 0.00 0.09 0.00 -0.00 0.00 0.00 57.88 58.00 3i04 h LEU 339 Cb 0.75 0.00 -0.05 0.00 -0.00 0.00 0.00 40.66 41.36 3i04 h LEU 339 CO 0.06 0.31 0.52 0.00 -0.00 0.00 0.00 178.44 179.32 3i04 h ALA 340 N 1.69 1.75 -0.01 1.53 0.00 -1.44 -2.65 119.26 120.13 3i04 h ALA 340 Ca -0.00 -0.01 -0.21 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 340 Cb 0.55 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 3i04 h ALA 340 CO 0.04 0.09 -0.89 0.82 0.00 0.00 0.00 179.25 179.32 3i04 h ILE 341 N 0.74 1.44 0.00 0.00 2.04 -1.43 -2.88 117.51 117.43 3i04 h ILE 341 Ca 0.36 -2.50 0.00 0.00 1.00 0.00 0.00 64.86 63.72 3i04 h ILE 341 Cb 0.42 2.41 0.00 0.00 -0.74 0.00 0.00 36.82 38.91 3i04 h ILE 341 CO -0.14 0.74 0.00 0.00 0.00 0.00 0.00 178.15 178.75 3i04 h THR 343 N 0.00 1.06 0.00 0.00 1.35 -1.43 -3.44 112.91 110.44 3i04 h THR 343 Ca 0.00 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.58 3i04 h THR 343 Cb 0.09 1.15 0.00 0.00 -1.73 0.00 0.00 68.15 67.66 3i04 h THR 343 CO 0.00 0.08 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 3i04 n GLY 344 N -1.30 1.12 0.89 5.82 0.00 0.03 -1.21 105.19 110.54 3i04 n GLY 344 Ca -0.03 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.08 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 0.35 2.37 -2.61 4.61 0.00 -1.26 -4.81 120.51 119.15 3i04 n ALA 345 Ca 0.00 -0.95 -0.42 0.00 0.00 0.00 0.00 53.44 52.07 3i04 n ALA 345 Cb 0.00 -0.66 -0.05 0.00 0.00 0.00 0.00 19.45 18.74 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 -1.24 4.78 -0.05 0.00 -1.09 -1.26 -4.40 121.20 117.94 3i04 s ILE 346 Ca 0.30 1.20 0.02 0.00 -2.23 0.00 0.00 60.65 59.94 3i04 s ILE 346 Cb 0.18 -4.16 -0.25 0.00 -1.58 0.00 0.00 42.46 36.64 3i04 s ILE 346 CO 0.24 -0.27 0.66 0.44 -1.23 0.00 0.00 174.94 174.78 3i04 h ASP 347 N 8.13 0.24 -3.88 3.58 3.32 -1.71 -3.36 116.42 122.74 3i04 h ASP 347 Ca -0.24 -0.45 -0.14 0.00 0.02 0.00 0.00 57.03 56.22 3i04 h ASP 347 Cb 1.09 -0.08 -0.25 0.00 0.22 0.00 0.00 39.33 40.32 3i04 h ASP 347 CO 0.89 1.39 -0.34 0.00 -1.72 0.00 0.00 179.24 179.46 3i04 s ALA 348 N -2.60 -0.79 -0.32 3.45 0.00 -1.10 -2.68 121.76 117.72 3i04 s ALA 348 Ca -0.11 0.89 -0.04 0.00 0.00 0.00 0.00 51.96 52.70 3i04 s ALA 348 Cb 0.07 -0.51 0.05 0.00 0.00 0.00 0.00 23.12 22.73 3i04 s ALA 348 CO 0.82 -0.15 0.04 1.41 0.00 0.00 0.00 175.76 177.88 3i04 s MET 349 N 0.13 2.50 -0.27 0.00 1.75 -0.30 0.20 119.30 123.31 3i04 s MET 349 Ca -0.00 -1.24 -0.09 0.00 -1.25 0.00 0.00 55.69 53.11 3i04 s MET 349 Cb -0.02 -3.30 -0.03 0.00 2.84 0.00 0.00 34.83 34.32 3i04 s MET 349 CO 0.01 -0.64 0.13 0.00 -0.65 0.00 0.00 175.02 173.86 3i04 s VAL 351 N 1.67 2.03 0.00 0.00 -7.23 -0.20 -2.36 120.40 114.31 3i04 s VAL 351 Ca 0.06 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.56 3i04 s VAL 351 Cb -0.16 -1.82 0.00 0.00 0.56 0.00 0.00 36.38 34.97 3i04 s VAL 351 CO 0.07 0.02 0.00 -0.90 -0.31 0.00 0.00 175.10 173.98 3i04 n ASP 352 N 0.96 0.00 -4.04 4.85 5.68 -1.15 -2.40 116.55 120.45 3i04 n ASP 352 Ca -0.18 0.00 -0.14 0.00 -0.50 0.00 0.00 54.79 53.96 3i04 n ASP 352 Cb 0.53 0.00 -0.12 0.00 -1.14 0.00 0.00 41.12 40.39 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 0.55 0.03 2.12 -7.23 -1.26 -4.48 120.40 110.13 3i04 s VAL 353 Ca 0.00 -0.83 0.00 0.00 -1.81 0.00 0.00 61.98 59.34 3i04 s VAL 353 Cb 0.00 -0.57 0.00 0.00 0.56 0.00 0.00 36.38 36.37 3i04 s VAL 353 CO 0.00 -0.21 0.00 0.00 -0.31 0.00 0.00 175.10 174.58 3i04 n GLN 354 N 1.93 -0.32 -2.33 4.82 6.02 -1.26 -3.14 117.38 123.10 3i04 n GLN 354 Ca -0.19 0.23 -0.19 0.00 -0.01 0.00 0.00 57.00 56.83 3i04 n GLN 354 Cb 0.56 -0.26 -0.02 0.00 1.02 0.00 0.00 30.24 31.54 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 -2.94 4.94 -0.17 0.00 1.01 -1.26 -4.91 121.20 117.88 3i04 s ILE 356 Ca 0.00 -0.25 -0.29 0.00 0.00 0.00 0.00 60.65 60.11 3i04 s ILE 356 Cb 0.00 -3.50 -0.02 0.00 0.01 0.00 0.00 42.46 38.95 3i04 s ILE 356 CO 0.00 0.08 1.43 -0.04 0.00 0.00 0.00 174.94 176.40 3i04 s MET 357 N 1.67 4.10 0.33 2.79 -1.94 -1.26 -4.90 119.30 120.09 3i04 s MET 357 Ca 0.06 1.73 0.26 0.00 -1.71 0.00 0.00 55.69 56.03 3i04 s MET 357 Cb -0.17 -3.88 1.00 0.00 2.01 0.00 0.00 34.83 33.78 3i04 s MET 357 CO 0.08 -0.90 1.78 -1.00 -0.01 0.00 0.00 175.02 174.97 3i04 h PRO 358 N 9.14 0.00 0.00 2.03 0.13 -1.99 -2.49 132.00 138.82 3i04 h PRO 358 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i04 h PRO 358 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 3i04 h PRO 358 CO 0.98 0.00 0.19 0.66 -0.23 0.00 0.00 178.00 179.61 3i04 h SER 359 N 0.00 0.00 -0.87 1.44 4.64 -1.98 -2.37 113.55 114.41 3i04 h SER 359 Ca 0.00 0.00 0.24 0.00 -0.47 0.00 0.00 61.79 61.56 3i04 h SER 359 Cb 0.51 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 62.56 3i04 h SER 359 CO 0.00 0.00 0.61 0.16 -0.87 0.00 0.00 176.83 176.73 3i04 h ILE 360 N 0.00 0.59 -0.36 0.95 3.07 -1.85 0.14 117.51 120.06 3i04 h ILE 360 Ca 0.00 -0.03 -0.08 0.00 1.55 0.00 0.00 64.86 66.31 3i04 h ILE 360 Cb 0.39 0.50 -0.01 0.00 -0.27 0.00 0.00 36.82 37.43 3i04 h ILE 360 CO 0.00 0.01 -0.08 0.77 -1.05 0.00 0.00 178.15 177.80 3i04 h SER 361 N 0.08 0.69 -0.01 2.16 4.64 -1.69 -0.06 113.55 119.36 3i04 h SER 361 Ca 0.42 -0.36 -0.16 0.00 -0.47 0.00 0.00 61.79 61.23 3i04 h SER 361 Cb 1.56 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.45 3i04 h SER 361 CO -0.04 0.89 -0.51 0.00 -0.87 0.00 0.00 176.83 176.29 3i04 h ALA 362 N 0.82 0.72 0.09 5.18 0.00 -1.35 -2.51 119.26 122.21 3i04 h ALA 362 Ca 0.09 -0.50 -0.00 0.00 0.00 0.00 0.00 54.91 54.50 3i04 h ALA 362 Cb 0.58 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.28 3i04 h ALA 362 CO 0.03 0.68 -0.04 0.28 0.00 0.00 0.00 179.25 180.20 3i04 h VAL 363 N 0.45 1.04 -0.68 0.00 2.07 -0.77 -3.20 116.25 115.16 3i04 h VAL 363 Ca 0.02 -0.48 0.10 0.00 0.82 0.00 0.00 66.70 67.15 3i04 h VAL 363 Cb 1.05 1.35 -0.04 0.00 -1.52 0.00 0.00 31.29 32.13 3i04 h VAL 363 CO 0.10 0.12 0.45 0.00 0.02 0.00 0.00 177.57 178.26 3i04 h ALA 364 N 0.54 1.90 -0.20 1.67 0.00 -0.95 -1.15 119.26 121.07 3i04 h ALA 364 Ca -0.01 -0.01 0.06 0.00 0.00 0.00 0.00 54.91 54.95 3i04 h ALA 364 Cb 0.29 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3i04 h ALA 364 CO 0.02 -0.04 0.24 1.49 0.00 0.00 0.00 179.25 180.96 3i04 h GLU 365 N 0.56 0.00 0.00 0.00 4.81 -1.44 0.56 114.58 119.06 3i04 h GLU 365 Ca 0.31 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.54 3i04 h GLU 365 Cb 0.49 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.87 3i04 h GLU 365 CO -0.10 0.00 0.00 0.00 -0.73 0.00 0.00 179.01 178.18 3i04 n TYR 367 N -2.73 0.00 -0.48 0.00 4.02 0.19 -5.04 117.16 113.12 3i04 n TYR 367 Ca 0.04 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 58.03 3i04 n TYR 367 Cb 0.41 0.00 0.32 0.00 -0.02 0.00 0.00 39.34 40.06 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 1.16 -2.22 -0.72 8.25 -1.26 -4.99 115.22 115.44 3i04 n HIS 368 Ca 0.00 -0.56 -0.41 0.00 -0.26 0.00 0.00 57.72 56.49 3i04 n HIS 368 Cb 0.00 -0.12 -0.03 0.00 1.12 0.00 0.00 29.99 30.96 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 -1.42 3.28 -0.23 1.59 2.01 -1.24 -4.89 115.64 114.72 3i04 s THR 369 Ca 0.48 1.02 -0.20 0.00 0.31 0.00 0.00 61.69 63.30 3i04 s THR 369 Cb 0.28 -3.65 -0.02 0.00 0.01 0.00 0.00 72.50 69.12 3i04 s THR 369 CO 0.27 0.14 0.61 -0.13 -0.69 0.00 0.00 174.62 174.82 3i04 s ARG 370 N 0.15 4.14 -0.08 4.92 1.81 -1.09 -4.67 118.95 124.13 3i04 s ARG 370 Ca 0.58 0.54 -0.17 0.00 -1.72 0.00 0.00 55.73 54.95 3i04 s ARG 370 Cb -0.36 -3.62 -0.05 0.00 -0.45 0.00 0.00 34.95 30.47 3i04 s ARG 370 CO 0.36 -0.34 0.46 0.42 -0.68 0.00 0.00 175.30 175.52 3i04 s ILE 371 N 2.25 5.13 -0.21 1.52 -1.09 -1.26 -1.15 121.20 126.39 3i04 s ILE 371 Ca 0.26 0.93 -0.01 0.00 -2.23 0.00 0.00 60.65 59.60 3i04 s ILE 371 Cb -0.16 -3.79 0.06 0.00 -1.58 0.00 0.00 42.46 36.99 3i04 s ILE 371 CO 0.09 0.40 -0.01 -0.63 -1.23 0.00 0.00 174.94 173.56 3i04 s ILE 372 N 0.15 0.99 0.49 2.92 1.01 -0.67 -1.35 121.20 124.74 3i04 s ILE 372 Ca 0.25 -0.86 -0.04 0.00 0.00 0.00 0.00 60.65 60.00 3i04 s ILE 372 Cb -0.16 -1.38 -0.02 0.00 0.01 0.00 0.00 42.46 40.91 3i04 s ILE 372 CO 0.11 -0.16 0.77 0.42 0.00 0.00 0.00 174.94 176.08 3i04 s THR 373 N 1.64 4.45 0.00 2.92 -4.23 0.06 -1.03 115.64 119.46 3i04 s THR 373 Ca -0.03 -0.05 0.00 0.00 -1.18 0.00 0.00 61.69 60.43 3i04 s THR 373 Cb -0.18 -3.69 0.00 0.00 1.34 0.00 0.00 72.50 69.97 3i04 s THR 373 CO -0.07 -0.63 0.00 0.35 -0.54 0.00 0.00 174.62 173.73 3i04 n THR 374 N -2.26 0.00 -4.11 3.99 -2.24 -1.01 -0.82 114.28 107.83 3i04 n THR 374 Ca 0.01 0.00 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 3i04 n THR 374 Cb 0.56 0.61 -0.07 0.00 -2.10 0.00 0.00 70.33 69.33 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 0.00 3.54 -0.87 6.98 0.00 -1.26 -1.94 121.76 128.20 3i04 s ALA 375 Ca 0.00 -0.91 0.27 0.00 0.00 0.00 0.00 51.96 51.32 3i04 s ALA 375 Cb 0.00 -1.52 1.03 0.00 0.00 0.00 0.00 23.12 22.63 3i04 s ALA 375 CO 0.00 0.70 1.83 -0.40 0.00 0.00 0.00 175.76 177.89 3i04 n ASP 376 N 1.04 0.35 -0.96 0.00 5.68 -1.26 -2.86 116.55 118.54 3i04 n ASP 376 Ca -0.12 0.54 0.08 0.00 -0.50 0.00 0.00 54.79 54.78 3i04 n ASP 376 Cb 0.52 -0.63 0.25 0.00 -1.14 0.00 0.00 41.12 40.12 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 -1.83 3.77 -3.33 -1.12 0.23 -1.26 -4.83 115.26 106.89 3i04 n ASN 377 Ca 0.06 -2.57 -0.12 0.00 -0.53 0.00 0.00 54.58 51.41 3i04 n ASN 377 Cb 0.36 -0.45 -0.06 0.00 -2.08 0.00 0.00 39.78 37.55 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 -2.04 -0.90 0.17 -2.53 0.00 -1.14 -5.05 121.76 110.28 3i04 s ALA 378 Ca 0.38 -0.43 0.11 0.00 0.00 0.00 0.00 51.96 52.01 3i04 s ALA 378 Cb 0.27 -2.13 -0.04 0.00 0.00 0.00 0.00 23.12 21.22 3i04 s ALA 378 CO 0.14 -2.00 -0.24 0.15 0.00 0.00 0.00 175.76 173.81 3i04 s LYS 379 N 1.88 1.44 -0.17 0.00 1.02 -1.26 -4.39 119.74 118.27 3i04 s LYS 379 Ca 0.14 -1.46 -0.03 0.00 0.02 0.00 0.00 55.97 54.64 3i04 s LYS 379 Cb -0.13 -1.77 0.05 0.00 -0.52 0.00 0.00 37.83 35.47 3i04 s LYS 379 CO -0.14 0.39 0.03 0.42 -0.92 0.00 0.00 175.35 175.13 3i04 s ILE 380 N -1.57 0.45 0.48 2.17 1.01 -1.26 -5.11 121.20 117.37 3i04 s ILE 380 Ca 0.18 -0.38 -0.23 0.00 0.00 0.00 0.00 60.65 60.22 3i04 s ILE 380 Cb -0.08 -0.89 -0.08 0.00 0.01 0.00 0.00 42.46 41.42 3i04 s ILE 380 CO 0.08 -0.11 1.12 -2.65 0.00 0.00 0.00 174.94 173.38 3i04 n PRO 381 N 5.09 1.45 0.00 2.79 -0.02 -1.26 -2.11 135.00 140.95 3i04 n PRO 381 Ca -0.08 0.53 0.00 0.00 -2.02 0.00 0.00 63.50 61.92 3i04 n PRO 381 Cb 0.48 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.72 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 1.05 2.22 3.65 -1.23 0.00 -1.26 -4.88 105.19 104.74 3i04 n GLY 382 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.81 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 -2.33 3.19 0.52 4.61 0.00 -0.89 -4.92 121.76 121.93 3i04 s ALA 383 Ca 0.00 -1.13 -0.22 0.00 0.00 0.00 0.00 51.96 50.61 3i04 s ALA 383 Cb 0.00 -1.12 -0.05 0.00 0.00 0.00 0.00 23.12 21.94 3i04 s ALA 383 CO 0.00 0.68 1.30 0.71 0.00 0.00 0.00 175.76 178.45 3i04 s TYR 384 N -1.25 2.45 -0.10 0.00 4.12 -0.46 -4.82 117.35 117.29 3i04 s TYR 384 Ca 0.24 1.42 0.03 0.00 0.02 0.00 0.00 57.07 58.78 3i04 s TYR 384 Cb -0.11 -3.67 0.01 0.00 -1.52 0.00 0.00 41.96 36.66 3i04 s TYR 384 CO 0.16 -2.49 -0.19 -1.58 0.02 0.00 0.00 175.55 171.47 3i04 s HIS 385 N -1.38 2.18 -0.18 2.71 5.65 -1.26 -0.76 115.29 122.25 3i04 s HIS 385 Ca 0.69 -0.95 -0.04 0.00 0.25 0.00 0.00 55.06 55.01 3i04 s HIS 385 Cb -0.37 -1.51 -0.03 0.00 -1.18 0.00 0.00 32.58 29.50 3i04 s HIS 385 CO 0.44 -0.43 -0.02 0.42 -0.65 0.00 0.00 174.74 174.49 3i04 s ILE 386 N 0.66 3.94 -1.10 0.89 1.01 -0.00 -4.95 121.20 121.64 3i04 s ILE 386 Ca -0.13 -0.33 -0.22 0.00 0.00 0.00 0.00 60.65 59.97 3i04 s ILE 386 Cb -0.16 -2.75 0.00 0.00 0.01 0.00 0.00 42.46 39.56 3i04 s ILE 386 CO 0.03 0.46 1.74 -0.62 0.00 0.00 0.00 174.94 176.56 3i04 s ASP 387 N 0.64 5.95 -0.11 3.58 2.15 -1.26 -4.00 116.67 123.63 3i04 s ASP 387 Ca -0.01 -1.57 -0.30 0.00 0.43 0.00 0.00 52.55 51.10 3i04 s ASP 387 Cb -0.14 -2.57 -0.02 0.00 -0.30 0.00 0.00 42.92 39.89 3i04 s ASP 387 CO 0.02 -2.05 1.12 -0.47 -0.17 0.00 0.00 175.17 173.63 3i04 s TYR 388 N 7.28 3.28 0.01 -5.34 5.04 -0.82 -5.02 117.35 121.77 3i04 s TYR 388 Ca 0.58 1.35 0.05 0.00 -2.44 0.00 0.00 57.07 56.62 3i04 s TYR 388 Cb -0.01 -3.33 -0.02 0.00 0.35 0.00 0.00 41.96 38.95 3i04 s TYR 388 CO 0.02 -0.89 -0.16 -0.65 -1.34 0.00 0.00 175.55 172.53 3i04 s GLN 389 N 2.42 1.21 0.49 4.97 -0.21 -1.26 -4.90 119.66 122.37 3i04 s GLN 389 Ca 0.52 -0.64 0.19 0.00 0.02 0.00 0.00 55.36 55.44 3i04 s GLN 389 Cb -0.21 -1.20 1.23 0.00 1.00 0.00 0.00 33.01 33.83 3i04 s GLN 389 CO 0.18 0.32 2.02 1.79 -2.12 0.00 0.00 175.29 177.48 3i04 h THR 390 N 4.65 0.85 -0.57 -0.19 1.35 -1.95 -2.01 112.91 115.04 3i04 h THR 390 Ca -0.37 -0.05 -0.00 0.00 -0.55 0.00 0.00 66.41 65.44 3i04 h THR 390 Cb 1.16 0.69 -0.03 0.00 -1.73 0.00 0.00 68.15 68.24 3i04 h THR 390 CO 0.47 0.03 0.35 0.00 -0.25 0.00 0.00 175.52 176.12 3i04 h ALA 391 N 1.78 1.54 -0.49 6.62 0.00 -1.95 -3.22 119.26 123.53 3i04 h ALA 391 Ca 0.21 -0.06 -0.36 0.00 0.00 0.00 0.00 54.91 54.69 3i04 h ALA 391 Cb 0.62 -0.23 -0.33 0.00 0.00 0.00 0.00 17.79 17.84 3i04 h ALA 391 CO -0.03 0.41 -0.82 0.25 0.00 0.00 0.00 179.25 179.06 3i04 n THR 392 N -4.42 2.10 -0.07 0.00 -2.24 -0.78 -4.72 114.28 104.15 3i04 n THR 392 Ca 0.05 -3.60 -0.10 0.00 -2.27 0.00 0.00 64.05 58.13 3i04 n THR 392 Cb 0.07 -0.41 -0.03 0.00 -2.10 0.00 0.00 70.33 67.85 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 1.93 0.31 -0.44 6.98 0.00 -1.49 -2.78 119.26 123.77 3i04 h ALA 393 Ca 0.17 -0.09 0.03 0.00 0.00 0.00 0.00 54.91 55.02 3i04 h ALA 393 Cb 1.40 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 19.06 3i04 h ALA 393 CO 0.46 -0.13 0.22 0.97 0.00 0.00 0.00 179.25 180.77 3i04 h ILE 394 N 0.25 0.97 -0.60 0.00 6.09 -1.89 -1.54 117.51 120.78 3i04 h ILE 394 Ca 0.08 -0.15 -0.10 0.00 -1.37 0.00 0.00 64.86 63.33 3i04 h ILE 394 Cb 0.13 0.49 -0.02 0.00 0.47 0.00 0.00 36.82 37.89 3i04 h ILE 394 CO -0.01 0.08 0.00 1.05 -3.07 0.00 0.00 178.15 176.20 3i04 h GLU 395 N 0.44 1.05 -0.86 2.19 4.11 -1.92 -0.27 114.58 119.32 3i04 h GLU 395 Ca 0.19 -0.33 -0.01 0.00 0.07 0.00 0.00 59.36 59.28 3i04 h GLU 395 Cb 0.09 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.20 3i04 h GLU 395 CO -0.13 1.03 0.49 0.77 0.07 0.00 0.00 179.01 181.24 3i04 h SER 396 N 0.96 1.06 -0.41 3.06 0.02 -1.37 0.51 113.55 117.38 3i04 h SER 396 Ca 0.17 -0.08 -0.08 0.00 -0.84 0.00 0.00 61.79 60.97 3i04 h SER 396 Cb 0.55 -0.27 -0.01 0.00 0.14 0.00 0.00 62.40 62.81 3i04 h SER 396 CO 0.03 0.83 -0.04 0.00 -1.14 0.00 0.00 176.83 176.51 3i04 h ALA 397 N 1.34 0.56 -0.41 3.77 0.00 -0.97 -1.00 119.26 122.55 3i04 h ALA 397 Ca 0.31 -0.29 -0.01 0.00 0.00 0.00 0.00 54.91 54.92 3i04 h ALA 397 Cb -0.01 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 3i04 h ALA 397 CO -0.05 0.39 0.23 0.87 0.00 0.00 0.00 179.25 180.68 3i04 h LYS 398 N 0.58 0.57 -0.45 0.00 1.57 -0.89 -0.37 116.57 117.58 3i04 h LYS 398 Ca 0.11 -0.06 0.08 0.00 -1.87 0.00 0.00 60.65 58.91 3i04 h LYS 398 Cb 0.55 -0.11 -0.07 0.00 0.08 0.00 0.00 32.23 32.68 3i04 h LYS 398 CO 0.03 0.45 0.04 1.15 -0.57 0.00 0.00 179.45 180.55 3i04 h THR 399 N 0.53 0.69 0.04 -0.16 2.02 -0.73 0.15 112.91 115.45 3i04 h THR 399 Ca 0.15 -0.05 0.00 0.00 0.77 0.00 0.00 66.41 67.28 3i04 h THR 399 Cb 0.04 0.52 -0.01 0.00 -1.74 0.00 0.00 68.15 66.97 3i04 h THR 399 CO -0.02 0.03 -0.04 0.00 0.37 0.00 0.00 175.52 175.85 3i04 h ALA 400 N 1.38 -0.07 -0.92 6.16 0.00 -0.66 -1.59 119.26 123.54 3i04 h ALA 400 Ca 0.23 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.23 3i04 h ALA 400 Cb 0.32 0.06 -0.07 0.00 0.00 0.00 0.00 17.79 18.10 3i04 h ALA 400 CO -0.34 -0.55 0.59 0.82 0.00 0.00 0.00 179.25 179.77 3i04 h ILE 401 N -0.09 0.97 -0.31 0.00 2.04 -0.85 -1.93 117.51 117.33 3i04 h ILE 401 Ca 0.01 -0.32 -0.06 0.00 1.00 0.00 0.00 64.86 65.49 3i04 h ILE 401 Cb 0.10 -0.04 -0.02 0.00 -0.74 0.00 0.00 36.82 36.11 3i04 h ILE 401 CO -0.02 0.17 -0.06 0.03 0.00 0.00 0.00 178.15 178.27 3i04 h ARG 402 N 0.93 0.49 -0.47 2.37 3.08 -0.18 -1.64 114.38 118.96 3i04 h ARG 402 Ca 0.43 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.28 3i04 h ARG 402 Cb 0.41 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 30.37 3i04 h ARG 402 CO -0.19 0.57 -0.04 0.52 -1.07 0.00 0.00 179.97 179.76 3i04 h MET 403 N 0.47 0.80 -0.21 0.04 2.86 -0.56 -2.04 114.93 116.29 3i04 h MET 403 Ca 0.10 -0.23 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3i04 h MET 403 Cb 0.40 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.96 3i04 h MET 403 CO 0.02 0.83 0.09 0.00 1.06 0.00 0.00 176.91 178.91 3i04 h ALA 404 N 1.22 0.27 -0.44 6.32 0.00 -1.06 -1.86 119.26 123.70 3i04 h ALA 404 Ca 0.14 -0.10 0.05 0.00 0.00 0.00 0.00 54.91 54.99 3i04 h ALA 404 Cb 0.50 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 18.16 3i04 h ALA 404 CO 0.03 -0.15 0.18 0.82 0.00 0.00 0.00 179.25 180.13 3i04 h ILE 405 N 0.19 0.90 -1.00 0.00 2.04 -1.17 0.44 117.51 118.91 3i04 h ILE 405 Ca 0.07 -0.13 0.05 0.00 1.00 0.00 0.00 64.86 65.85 3i04 h ILE 405 Cb 0.16 0.50 -0.06 0.00 -0.74 0.00 0.00 36.82 36.67 3i04 h ILE 405 CO -0.01 0.07 0.65 -0.33 0.00 0.00 0.00 178.15 178.53 3i04 h GLU 406 N 0.37 1.19 -0.15 2.37 4.39 -1.33 -1.48 114.58 119.94 3i04 h GLU 406 Ca 0.20 -0.07 -0.16 0.00 0.34 0.00 0.00 59.36 59.67 3i04 h GLU 406 Cb 0.17 -0.27 -0.01 0.00 -0.10 0.00 0.00 28.75 28.54 3i04 h GLU 406 CO -0.18 0.79 -0.57 0.00 -1.16 0.00 0.00 179.01 177.89 3i04 h ALA 407 N 1.43 0.75 0.24 3.43 0.00 -0.34 -2.10 119.26 122.66 3i04 h ALA 407 Ca 0.41 -0.52 0.01 0.00 0.00 0.00 0.00 54.91 54.81 3i04 h ALA 407 Cb 0.07 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.75 3i04 h ALA 407 CO -0.15 0.70 -0.43 0.35 0.00 0.00 0.00 179.25 179.72 3i04 h PHE 408 N 0.35 -1.19 -0.76 0.00 3.57 0.19 -1.63 116.94 117.46 3i04 h PHE 408 Ca 0.00 0.02 0.17 0.00 3.53 0.00 0.00 57.97 61.70 3i04 h PHE 408 Cb 1.09 0.49 -0.12 0.00 2.79 0.00 0.00 35.95 40.21 3i04 h PHE 408 CO 0.04 -0.55 0.13 0.87 -2.23 0.00 0.00 178.31 176.57 3i04 h LYS 409 N -0.74 0.20 -0.90 1.11 1.57 -1.19 -0.99 116.57 115.63 3i04 h LYS 409 Ca -0.00 -0.01 0.01 0.00 -1.87 0.00 0.00 60.65 58.78 3i04 h LYS 409 Cb 0.72 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.94 3i04 h LYS 409 CO -0.18 0.13 0.59 0.93 -0.57 0.00 0.00 179.45 180.36 3i04 h GLU 410 N 0.20 1.16 0.02 3.15 5.08 -1.00 -1.25 114.58 121.95 3i04 h GLU 410 Ca 0.43 -0.07 -0.00 0.00 -1.00 0.00 0.00 59.36 58.72 3i04 h GLU 410 Cb 0.77 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.76 3i04 h GLU 410 CO -0.58 0.77 -0.01 -0.09 -1.00 0.00 0.00 179.01 178.10 3i04 h ARG 411 N 1.20 -0.03 -0.84 2.33 2.43 -0.26 -2.06 114.38 117.16 3i04 h ARG 411 Ca 0.34 0.00 -0.04 0.00 -0.81 0.00 0.00 59.98 59.47 3i04 h ARG 411 Cb -0.11 0.01 -0.04 0.00 -0.42 0.00 0.00 29.97 29.41 3i04 h ARG 411 CO -0.08 0.27 0.37 0.87 -1.51 0.00 0.00 179.97 179.89 3i04 h LYS 412 N -0.33 1.22 0.00 0.20 1.79 -1.12 -2.68 116.57 115.65 3i04 h LYS 412 Ca -0.00 -0.20 0.00 0.00 -2.18 0.00 0.00 60.65 58.27 3i04 h LYS 412 Cb 0.32 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 30.76 3i04 h LYS 412 CO 0.01 0.96 0.00 0.93 -1.08 0.00 0.00 179.45 180.26 3i04 h GLU 413 N 1.20 0.00 0.00 3.15 5.08 -1.19 -3.07 114.58 119.75 3i04 h GLU 413 Ca 0.28 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.64 3i04 h GLU 413 Cb 0.16 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3i04 h GLU 413 CO -0.03 0.00 -0.69 -1.13 -1.00 0.00 0.00 179.01 176.16 3i04 n SER 414 N -3.00 0.63 -1.75 1.42 3.41 -0.78 -4.99 113.62 108.56 3i04 n SER 414 Ca 0.01 -0.04 0.00 0.00 -0.26 0.00 0.00 58.87 58.58 3i04 n SER 414 Cb 0.34 0.33 0.00 0.00 -0.26 0.00 0.00 64.21 64.62 3i04 n SER 414 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3i04 n ASN 415 N -1.94 0.00 -4.84 4.04 4.13 -1.09 -4.95 115.26 110.60 3i04 n ASN 415 Ca 0.03 0.00 -0.32 0.00 1.68 0.00 0.00 54.58 55.97 3i04 n ASN 415 Cb 0.42 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.61 3i04 n ASN 415 CO 0.00 0.00 0.00 -0.13 0.28 0.00 0.00 177.26 177.41 3i04 s ARG 416 N -1.41 3.98 0.33 3.52 0.52 -1.26 -5.02 118.95 119.61 3i04 s ARG 416 Ca 0.00 0.86 -0.28 0.00 -0.52 0.00 0.00 55.73 55.78 3i04 s ARG 416 Cb 0.00 -2.23 -0.12 0.00 0.52 0.00 0.00 34.95 33.11 3i04 s ARG 416 CO 0.00 -0.12 1.30 -0.35 0.02 0.00 0.00 175.30 176.15 3i04 n PRO 417 N -1.18 2.11 -4.84 3.54 -0.04 -1.26 -5.03 135.00 128.29 3i04 n PRO 417 Ca 0.05 0.74 -0.33 0.00 -0.04 0.00 0.00 63.50 63.93 3i04 n PRO 417 Cb 0.54 -2.33 -0.13 0.00 -0.04 0.00 0.00 33.50 31.54 3i04 n PRO 417 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 3i04 s VAL 418 N -0.98 3.14 -0.22 0.52 -7.23 -1.26 -4.68 120.40 109.68 3i04 s VAL 418 Ca 0.57 -0.69 0.01 0.00 -1.81 0.00 0.00 61.98 60.07 3i04 s VAL 418 Cb -0.58 -2.25 0.05 0.00 0.56 0.00 0.00 36.38 34.17 3i04 s VAL 418 CO 0.61 0.58 -0.10 -0.47 -0.31 0.00 0.00 175.10 175.41 3i04 s TYR 419 N -0.60 2.69 -0.25 2.82 5.04 -0.35 -5.04 117.35 121.66 3i04 s TYR 419 Ca 0.09 -1.85 -0.01 0.00 -2.44 0.00 0.00 57.07 52.86 3i04 s TYR 419 Cb -0.11 -1.73 0.03 0.00 0.35 0.00 0.00 41.96 40.50 3i04 s TYR 419 CO 0.01 -0.80 -0.07 0.42 -1.34 0.00 0.00 175.55 173.77 3i04 s ILE 420 N 1.30 2.74 0.22 3.14 1.01 -1.26 -4.33 121.20 124.02 3i04 s ILE 420 Ca -0.04 -1.12 -0.32 0.00 0.00 0.00 0.00 60.65 59.17 3i04 s ILE 420 Cb -0.18 -2.41 -0.12 0.00 0.01 0.00 0.00 42.46 39.76 3i04 s ILE 420 CO -0.07 0.17 1.70 -2.84 0.00 0.00 0.00 174.94 173.90 3i04 s PRO 421 N 1.29 4.12 -1.34 2.79 0.02 -1.26 -4.84 135.00 135.78 3i04 s PRO 421 Ca -0.01 2.60 -0.10 0.00 0.02 0.00 0.00 61.00 63.51 3i04 s PRO 421 Cb -0.17 -3.07 0.13 0.00 0.02 0.00 0.00 34.50 31.41 3i04 s PRO 421 CO -0.05 -0.73 2.06 1.04 -0.33 0.00 0.00 177.00 178.99 3i04 n GLN 422 N 3.69 3.61 -3.70 5.54 1.13 -1.26 -2.74 117.38 123.65 3i04 n GLN 422 Ca 0.15 -3.28 -0.23 0.00 -1.94 0.00 0.00 57.00 51.69 3i04 n GLN 422 Cb 0.36 -2.95 -0.17 0.00 0.11 0.00 0.00 30.24 27.58 3i04 n GLN 422 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3i04 s ILE 423 N 0.79 0.14 0.10 5.09 1.01 -1.26 -4.96 121.20 122.10 3i04 s ILE 423 Ca 0.44 0.06 -0.22 0.00 0.00 0.00 0.00 60.65 60.93 3i04 s ILE 423 Cb 0.12 -0.49 0.06 0.00 0.01 0.00 0.00 42.46 42.15 3i04 s ILE 423 CO -0.03 0.04 0.53 -1.59 0.00 0.00 0.00 174.94 173.90 3i04 s LYS 424 N 2.06 1.13 0.14 2.79 -2.85 -1.26 -1.14 119.74 120.61 3i04 s LYS 424 Ca 0.03 -0.40 0.05 0.00 -1.00 0.00 0.00 55.97 54.65 3i04 s LYS 424 Cb -0.14 0.52 -0.04 0.00 -2.06 0.00 0.00 37.83 36.11 3i04 s LYS 424 CO -0.06 -0.45 -0.12 -0.80 0.10 0.00 0.00 175.35 174.03 3i04 s ASN 425 N -2.40 1.89 0.43 0.03 0.01 -0.26 -4.95 114.94 109.69 3i04 s ASN 425 Ca -0.01 -0.94 -0.15 0.00 -0.71 0.00 0.00 52.86 51.04 3i04 s ASN 425 Cb -0.00 -0.04 -0.08 0.00 0.41 0.00 0.00 41.25 41.54 3i04 s ASN 425 CO -0.08 -0.26 0.86 -0.60 -1.51 0.00 0.00 177.10 175.52 3i04 s ARG 426 N -3.38 3.96 -0.01 -0.60 3.52 -1.26 -0.95 118.95 120.23 3i04 s ARG 426 Ca 0.14 0.78 0.00 0.00 -0.13 0.00 0.00 55.73 56.52 3i04 s ARG 426 Cb -0.00 -2.28 0.02 0.00 -1.56 0.00 0.00 34.95 31.12 3i04 s ARG 426 CO 0.02 -0.07 0.01 0.08 -0.81 0.00 0.00 175.30 174.53 3i04 s VAL 427 N -2.34 0.01 -0.11 7.11 1.01 -0.37 -3.38 120.40 122.34 3i04 s VAL 427 Ca 0.56 0.11 -0.03 0.00 0.00 0.00 0.00 61.98 62.61 3i04 s VAL 427 Cb -0.10 -0.09 -0.03 0.00 0.00 0.00 0.00 36.38 36.15 3i04 s VAL 427 CO 0.25 0.07 0.02 -0.69 0.00 0.00 0.00 175.10 174.75 3i04 s VAL 428 N 0.64 4.49 0.13 2.92 1.01 0.55 -0.88 120.40 129.26 3i04 s VAL 428 Ca -0.06 -0.17 0.00 0.00 0.00 0.00 0.00 61.98 61.76 3i04 s VAL 428 Cb -0.08 -2.92 -0.00 0.00 0.00 0.00 0.00 36.38 33.38 3i04 s VAL 428 CO -0.02 0.58 0.17 0.00 0.00 0.00 0.00 175.10 175.83 3i04 n ALA 429 N 2.38 -0.03 -0.03 5.51 0.00 -0.75 -4.55 120.51 123.04 3i04 n ALA 429 Ca -0.18 -0.65 0.00 0.00 0.00 0.00 0.00 53.44 52.60 3i04 n ALA 429 Cb 0.54 0.53 0.00 0.00 0.00 0.00 0.00 19.45 20.51 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 -0.23 0.98 2.66 0.00 0.00 -1.22 -1.57 105.19 105.81 3i04 n GLY 430 Ca 0.01 -0.02 -0.41 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.03 3.06 -0.59 1.61 7.02 -0.84 -2.98 117.44 122.69 3i04 n TRP 431 Ca 0.00 -2.87 -0.30 0.00 -1.02 0.00 0.00 57.50 53.31 3i04 n TRP 431 Cb 0.00 -2.44 0.21 0.00 -2.42 0.00 0.00 31.31 26.66 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 5.59 -1.67 0.11 -0.99 3.41 -1.26 -4.33 113.62 114.48 3i04 n SER 432 Ca 0.58 -0.02 0.01 0.00 -0.26 0.00 0.00 58.87 59.17 3i04 n SER 432 Cb 0.35 -1.20 0.32 0.00 -0.26 0.00 0.00 64.21 63.42 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 -2.31 0.23 -0.62 1.04 5.85 -1.92 -2.24 115.31 115.35 3i04 h LEU 433 Ca -0.55 -0.07 -0.03 0.00 0.84 0.00 0.00 57.88 58.07 3i04 h LEU 433 Cb 1.33 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 42.27 3i04 h LEU 433 CO 0.43 0.49 0.25 -0.33 -0.34 0.00 0.00 178.44 178.94 3i04 h GLU 434 N 0.22 0.92 -0.47 1.25 3.07 -1.91 0.70 114.58 118.36 3i04 h GLU 434 Ca 0.04 -0.16 -0.10 0.00 -0.50 0.00 0.00 59.36 58.63 3i04 h GLU 434 Cb 0.55 -0.15 -0.02 0.00 -0.84 0.00 0.00 28.75 28.29 3i04 h GLU 434 CO 0.04 0.78 -0.11 0.00 -1.40 0.00 0.00 179.01 178.32 3i04 h ALA 435 N 1.10 0.92 -0.30 3.43 0.00 -1.74 -0.45 119.26 122.22 3i04 h ALA 435 Ca 0.21 -0.33 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3i04 h ALA 435 Cb 0.20 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 435 CO -0.02 0.63 -0.12 -0.07 0.00 0.00 0.00 179.25 179.67 3i04 h LEU 436 N 0.78 0.63 -1.21 0.00 3.38 -1.19 -1.92 115.31 115.78 3i04 h LEU 436 Ca 0.13 -0.39 -0.03 0.00 0.09 0.00 0.00 57.88 57.67 3i04 h LEU 436 Cb 0.62 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.17 3i04 h LEU 436 CO 0.04 0.88 0.19 0.74 0.09 0.00 0.00 178.44 180.38 3i04 h THR 437 N 0.38 1.19 -0.22 0.22 2.02 -0.77 -1.77 112.91 113.95 3i04 h THR 437 Ca 0.07 -0.63 -0.05 0.00 0.77 0.00 0.00 66.41 66.57 3i04 h THR 437 Cb 0.63 0.61 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3i04 h THR 437 CO 0.04 0.24 -0.07 0.50 0.37 0.00 0.00 175.52 176.60 3i04 h LYS 438 N 0.73 0.44 -0.10 6.66 1.63 -0.85 0.65 116.57 125.72 3i04 h LYS 438 Ca 0.17 -0.18 0.04 0.00 -0.85 0.00 0.00 60.65 59.83 3i04 h LYS 438 Cb 0.17 -0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 31.74 3i04 h LYS 438 CO -0.01 0.69 -0.16 1.25 -3.45 0.00 0.00 179.45 177.77 3i04 h LEU 439 N 0.15 -0.50 -1.53 5.20 5.85 -1.21 -2.62 115.31 120.66 3i04 h LEU 439 Ca 0.05 0.09 -0.04 0.00 0.84 0.00 0.00 57.88 58.82 3i04 h LEU 439 Cb 0.55 0.23 -0.01 0.00 0.37 0.00 0.00 40.66 41.80 3i04 h LEU 439 CO 0.03 -0.21 -0.10 -0.07 -0.34 0.00 0.00 178.44 177.75 3i04 h LEU 440 N -0.22 0.17 -2.53 2.25 3.38 -1.23 -2.07 115.31 115.06 3i04 h LEU 440 Ca 0.09 -0.03 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 440 Cb 0.34 -0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.05 3i04 h LEU 440 CO -0.23 0.30 -0.02 0.00 0.09 0.00 0.00 178.44 178.58 3i04 h ALA 441 N 1.73 1.20 0.00 1.53 0.00 -0.47 -1.40 119.26 121.84 3i04 h ALA 441 Ca 0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 441 Cb 0.29 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.08 3i04 h ALA 441 CO 0.02 0.02 0.00 1.79 0.00 0.00 0.00 179.25 181.08 3i04 h THR 442 N 0.00 0.00 0.00 0.00 1.35 -1.33 -2.93 112.91 110.01 3i04 h THR 442 Ca -0.00 -0.14 -0.26 0.00 -0.55 0.00 0.00 66.41 65.46 3i04 h THR 442 Cb 0.10 0.81 -0.05 0.00 -1.73 0.00 0.00 68.15 67.28 3i04 h THR 442 CO 0.00 0.00 -2.07 0.00 -0.25 0.00 0.00 175.52 173.21 3i04 n GLN 443 N -2.41 1.29 -3.25 4.72 1.13 -0.56 -4.91 117.38 113.40 3i04 n GLN 443 Ca -0.00 -0.02 -0.04 0.00 -1.94 0.00 0.00 57.00 54.99 3i04 n GLN 443 Cb 0.14 -1.41 -0.03 0.00 0.11 0.00 0.00 30.24 29.04 3i04 n GLN 443 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 3i04 s ASN 444 N -4.86 -0.50 0.17 1.08 3.84 -1.03 -5.03 114.94 108.61 3i04 s ASN 444 Ca -0.08 -0.57 -0.00 0.00 0.21 0.00 0.00 52.86 52.42 3i04 s ASN 444 Cb 0.05 1.47 0.05 0.00 -0.55 0.00 0.00 41.25 42.27 3i04 s ASN 444 CO 0.66 -0.27 1.42 0.00 -2.79 0.00 0.00 177.10 176.12 3i04 h ALA 445 N 7.60 0.58 -0.15 1.71 0.00 -1.79 -2.29 119.26 124.92 3i04 h ALA 445 Ca -0.01 -0.64 -0.10 0.00 0.00 0.00 0.00 54.91 54.16 3i04 h ALA 445 Cb 1.14 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3i04 h ALA 445 CO 0.18 0.80 -0.37 1.96 0.00 0.00 0.00 179.25 181.83 3i04 h GLN 446 N 0.21 0.32 -1.32 0.00 7.50 -1.96 -3.41 115.11 116.46 3i04 h GLN 446 Ca -0.04 -0.14 -0.29 0.00 0.50 0.00 0.00 58.65 58.68 3i04 h GLN 446 Cb 1.37 -0.01 -0.23 0.00 0.05 0.00 0.00 27.48 28.66 3i04 h GLN 446 CO 0.13 0.65 -0.65 -1.71 -1.50 0.00 0.00 178.83 175.75 3i04 n ASN 447 N -4.06 -2.48 -0.04 1.46 2.85 -1.18 -5.05 115.26 106.76 3i04 n ASN 447 Ca -0.01 -2.80 -0.04 0.00 -0.11 0.00 0.00 54.58 51.62 3i04 n ASN 447 Cb 0.46 1.05 0.17 0.00 1.24 0.00 0.00 39.78 42.70 3i04 n ASN 447 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3i04 h PRO 448 N 5.05 0.64 0.00 1.20 0.11 -1.65 -2.43 132.00 134.92 3i04 h PRO 448 Ca 0.10 -0.22 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 3i04 h PRO 448 Cb 1.04 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.09 3i04 h PRO 448 CO 0.15 0.77 -0.19 0.97 -0.21 0.00 0.00 178.00 179.49 3i04 h ILE 449 N 0.58 0.67 -0.98 4.15 6.09 -1.91 -1.89 117.51 124.22 3i04 h ILE 449 Ca 0.10 -0.82 0.27 0.00 -1.37 0.00 0.00 64.86 63.03 3i04 h ILE 449 Cb 0.60 1.52 -0.05 0.00 0.47 0.00 0.00 36.82 39.36 3i04 h ILE 449 CO 0.04 0.19 0.69 -0.09 -3.07 0.00 0.00 178.15 175.90 3i04 h ARG 450 N 0.00 0.12 -0.82 2.19 9.65 -1.81 -1.73 114.38 121.97 3i04 h ARG 450 Ca -0.00 -0.01 -0.03 0.00 -1.10 0.00 0.00 59.98 58.85 3i04 h ARG 450 Cb 0.51 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.02 3i04 h ARG 450 CO 0.02 0.08 0.42 0.28 2.80 0.00 0.00 179.97 183.57 3i04 h VAL 451 N 0.12 1.25 0.03 0.20 2.07 -1.48 0.77 116.25 119.21 3i04 h VAL 451 Ca 0.49 -0.68 -0.15 0.00 0.82 0.00 0.00 66.70 67.19 3i04 h VAL 451 Cb 1.71 0.18 0.01 0.00 -1.52 0.00 0.00 31.29 31.68 3i04 h VAL 451 CO -0.08 0.29 -0.58 0.25 0.02 0.00 0.00 177.57 177.47 3i04 h LEU 452 N 1.16 0.47 -0.12 2.57 5.85 -1.50 -3.02 115.31 120.72 3i04 h LEU 452 Ca 0.29 -0.80 0.02 0.00 0.84 0.00 0.00 57.88 58.23 3i04 h LEU 452 Cb 0.09 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3i04 h LEU 452 CO -0.04 1.22 -0.04 0.78 -0.34 0.00 0.00 178.44 180.02 3i04 h ASN 453 N -0.22 -0.13 -0.74 1.25 2.35 -1.08 -2.65 115.58 114.36 3i04 h ASN 453 Ca -0.08 0.04 0.03 0.00 -0.55 0.00 0.00 56.30 55.73 3i04 h ASN 453 Cb 1.33 0.08 -0.04 0.00 0.05 0.00 0.00 38.32 39.74 3i04 h ASN 453 CO 0.11 -0.05 0.47 -0.61 -1.65 0.00 0.00 177.43 175.71 3i04 h GLN 454 N -0.01 0.91 0.00 0.81 5.75 0.42 -0.95 115.11 122.04 3i04 h GLN 454 Ca 0.06 -0.05 -0.02 0.00 -0.15 0.00 0.00 58.65 58.48 3i04 h GLN 454 Cb 0.10 -0.21 -0.00 0.00 1.07 0.00 0.00 27.48 28.44 3i04 h GLN 454 CO -0.13 0.60 -0.10 0.00 -2.65 0.00 0.00 178.83 176.56 3i04 h ALA 455 N 1.31 1.28 0.11 3.38 0.00 -1.41 0.78 119.26 124.71 3i04 h ALA 455 Ca 0.29 -0.09 -0.15 0.00 0.00 0.00 0.00 54.91 54.96 3i04 h ALA 455 Cb -0.01 -0.02 0.02 0.00 0.00 0.00 0.00 17.79 17.78 3i04 h ALA 455 CO -0.10 0.12 -0.68 0.82 0.00 0.00 0.00 179.25 179.41 3i04 h ILE 456 N 0.00 1.55 -0.56 0.00 2.04 -1.09 0.75 117.51 120.20 3i04 h ILE 456 Ca -0.00 -2.49 -0.03 0.00 1.00 0.00 0.00 64.86 63.34 3i04 h ILE 456 Cb 0.29 3.21 -0.03 0.00 -0.74 0.00 0.00 36.82 39.56 3i04 h ILE 456 CO 0.01 0.69 0.22 -0.07 0.00 0.00 0.00 178.15 179.01 3i04 h LEU 457 N -0.51 0.74 0.00 1.44 3.38 -0.83 -1.94 115.31 117.59 3i04 h LEU 457 Ca -0.12 -0.09 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3i04 h LEU 457 Cb 1.51 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 42.07 3i04 h LEU 457 CO 0.11 0.66 0.00 0.47 0.09 0.00 0.00 178.44 179.78 3i04 n ASP 458 N -4.33 0.00 0.00 -0.43 8.00 0.24 -4.93 116.55 115.10 3i04 n ASP 458 Ca 0.05 0.42 0.00 0.00 0.71 0.00 0.00 54.79 55.97 3i04 n ASP 458 Cb 0.16 -0.47 0.00 0.00 -0.02 0.00 0.00 41.12 40.79 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 0.82 0.79 0.28 0.44 0.00 -0.73 -4.93 105.19 101.87 3i04 n GLY 459 Ca 0.06 0.00 -0.11 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 3.46 0.99 -6.54 1.61 4.81 -1.57 -3.43 114.58 113.91 3i04 h GLU 460 Ca 0.00 -0.41 -0.67 0.00 -0.13 0.00 0.00 59.36 58.15 3i04 h GLU 460 Cb 0.00 -0.04 -0.18 0.00 0.63 0.00 0.00 28.75 29.16 3i04 h GLU 460 CO 0.00 1.09 -0.76 -0.51 -0.73 0.00 0.00 179.01 178.10 3i04 s LEU 461 N -9.13 2.90 0.43 1.64 1.43 0.17 -3.90 118.68 112.23 3i04 s LEU 461 Ca -0.12 -0.38 0.24 0.00 -1.03 0.00 0.00 54.13 52.84 3i04 s LEU 461 Cb 0.12 -1.71 0.66 0.00 0.03 0.00 0.00 46.19 45.29 3i04 s LEU 461 CO 0.87 0.21 1.72 0.00 0.23 0.00 0.00 176.35 179.38 3i04 h ALA 462 N 4.00 0.94 0.00 4.21 0.00 -1.32 -3.38 119.26 123.70 3i04 h ALA 462 Ca -0.49 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.27 3i04 h ALA 462 Cb 1.16 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 3i04 h ALA 462 CO 0.50 0.21 0.00 0.41 0.00 0.00 0.00 179.25 180.38 3i04 n GLY 463 N 0.63 0.00 3.46 0.00 0.00 -1.26 -4.71 105.19 103.30 3i04 n GLY 463 Ca 0.02 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.17 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 -2.73 3.41 -0.11 1.61 1.01 -0.50 -1.59 120.40 121.50 3i04 s VAL 464 Ca 0.00 -0.55 0.03 0.00 0.00 0.00 0.00 61.98 61.46 3i04 s VAL 464 Cb 0.00 -2.43 -0.00 0.00 0.00 0.00 0.00 36.38 33.94 3i04 s VAL 464 CO 0.00 0.54 -0.21 0.00 0.00 0.00 0.00 175.10 175.42 3i04 s ALA 465 N 0.01 2.28 -0.22 5.51 0.00 -0.74 -1.49 121.76 127.10 3i04 s ALA 465 Ca -0.02 -0.95 -0.14 0.00 0.00 0.00 0.00 51.96 50.84 3i04 s ALA 465 Cb -0.14 -0.91 -0.04 0.00 0.00 0.00 0.00 23.12 22.03 3i04 s ALA 465 CO 0.04 0.28 0.33 -1.17 0.00 0.00 0.00 175.76 175.23 3i04 s LEU 466 N 0.35 4.12 -0.13 0.00 1.98 -0.06 -0.45 118.68 124.49 3i04 s LEU 466 Ca -0.17 0.37 -0.03 0.00 -2.89 0.00 0.00 54.13 51.41 3i04 s LEU 466 Cb -0.17 -2.39 -0.03 0.00 0.66 0.00 0.00 46.19 44.25 3i04 s LEU 466 CO 0.08 -0.06 -0.03 -0.63 -1.89 0.00 0.00 176.35 173.82 3i04 s ILE 467 N 1.37 3.99 0.33 6.68 -1.09 -0.34 0.42 121.20 132.57 3i04 s ILE 467 Ca 0.15 -0.34 -0.05 0.00 -2.23 0.00 0.00 60.65 58.19 3i04 s ILE 467 Cb -0.15 -2.72 0.01 0.00 -1.58 0.00 0.00 42.46 38.01 3i04 s ILE 467 CO 0.07 0.52 0.49 0.00 -1.23 0.00 0.00 174.94 174.80 3i04 n GLY 469 N -0.53 -2.40 2.03 0.00 0.00 -1.26 -4.16 105.19 98.87 3i04 n GLY 469 Ca -0.00 -1.70 -0.16 0.00 0.00 0.00 0.00 46.02 44.15 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 -3.46 5.69 -0.22 0.00 0.02 -1.22 -4.29 114.94 111.47 3i04 s ASN 471 Ca 0.40 -0.07 -0.03 0.00 -1.02 0.00 0.00 52.86 52.14 3i04 s ASN 471 Cb -0.02 -1.54 0.12 0.00 0.02 0.00 0.00 41.25 39.83 3i04 s ASN 471 CO 0.29 0.06 0.33 0.21 0.02 0.00 0.00 177.10 178.02 3i04 s ASN 472 N -3.15 0.49 0.00 -1.22 3.84 -1.11 -4.41 114.94 109.38 3i04 s ASN 472 Ca 0.32 0.19 0.14 0.00 0.21 0.00 0.00 52.86 53.72 3i04 s ASN 472 Cb -0.10 0.93 0.83 0.00 -0.55 0.00 0.00 41.25 42.36 3i04 s ASN 472 CO 0.24 -0.30 1.27 0.18 -2.79 0.00 0.00 177.10 175.70 3i04 n LEU 473 N 5.35 0.00 -0.35 3.21 4.77 -1.26 -1.75 117.00 126.98 3i04 n LEU 473 Ca -0.05 0.01 0.12 0.00 -0.03 0.00 0.00 56.01 56.06 3i04 n LEU 473 Cb 0.50 -0.01 0.31 0.00 -2.33 0.00 0.00 43.42 41.89 3i04 n LEU 473 CO 0.06 -0.01 1.21 0.11 -1.33 0.00 0.00 177.39 177.43 3i04 h LYS 474 N 0.00 0.79 -6.18 3.23 1.57 -1.96 -3.41 116.57 110.61 3i04 h LYS 474 Ca 0.00 -0.05 -0.56 0.00 -1.87 0.00 0.00 60.65 58.17 3i04 h LYS 474 Cb 0.01 -0.18 -0.06 0.00 0.08 0.00 0.00 32.23 32.08 3i04 h LYS 474 CO 0.00 0.52 -0.55 0.20 -0.57 0.00 0.00 179.45 179.05 3i04 s GLY 475 N -3.66 1.68 0.02 3.86 0.00 -0.72 -1.72 107.32 106.78 3i04 s GLY 475 Ca -0.11 -1.22 -0.34 0.00 0.00 0.00 0.00 44.72 43.05 3i04 s GLY 475 CO 0.80 -1.23 1.72 0.69 0.00 0.00 0.00 173.10 175.08 3i04 n PHE 476 N -0.45 2.26 -1.48 1.90 3.01 -1.26 -4.66 117.46 116.77 3i04 n PHE 476 Ca -0.08 0.16 -0.58 0.00 1.01 0.00 0.00 57.45 57.96 3i04 n PHE 476 Cb 0.55 -2.59 -0.08 0.00 -0.01 0.00 0.00 39.48 37.35 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 5.01 0.00 -0.07 -1.08 7.27 0.03 -1.48 117.38 127.05 3i04 n GLN 477 Ca 0.20 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.27 3i04 n GLN 477 Cb 0.28 -1.34 0.00 0.00 2.41 0.00 0.00 30.24 31.59 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 2.72 0.00 -0.16 1.69 8.00 -1.26 -1.52 116.55 126.02 3i04 n ASP 478 Ca 0.24 0.00 -0.06 0.00 0.71 0.00 0.00 54.79 55.68 3i04 n ASP 478 Cb -0.01 -0.67 0.03 0.00 -0.02 0.00 0.00 41.12 40.46 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 0.46 -0.01 -2.24 -1.24 -1.64 -1.35 115.58 109.56 3i04 h ASN 479 Ca 0.00 0.01 -0.26 0.00 0.71 0.00 0.00 56.30 56.76 3i04 h ASN 479 Cb 0.00 -0.09 0.02 0.00 0.73 0.00 0.00 38.32 38.98 3i04 h ASN 479 CO 0.00 0.32 -1.01 0.28 -1.29 0.00 0.00 177.43 175.74 3i04 h SER 480 N 0.57 0.91 -0.30 1.15 0.02 -1.89 -1.37 113.55 112.65 3i04 h SER 480 Ca 0.20 -0.71 0.07 0.00 -0.84 0.00 0.00 61.79 60.50 3i04 h SER 480 Cb 0.03 -0.28 -0.07 0.00 0.14 0.00 0.00 62.40 62.22 3i04 h SER 480 CO -0.10 1.51 -0.17 0.45 -1.14 0.00 0.00 176.83 177.39 3i04 h HIS 481 N 0.42 -0.43 -0.17 3.45 3.86 -1.86 -0.68 115.15 119.74 3i04 h HIS 481 Ca -0.12 0.04 -0.11 0.00 -1.16 0.00 0.00 60.37 59.01 3i04 h HIS 481 Cb 1.66 0.23 0.00 0.00 1.06 0.00 0.00 27.41 30.36 3i04 h HIS 481 CO 0.10 -0.25 -0.33 -0.07 0.86 0.00 0.00 177.93 178.24 3i04 h LEU 482 N -0.13 0.59 -0.27 2.43 -0.00 -1.22 0.10 115.31 116.80 3i04 h LEU 482 Ca 0.16 -0.55 0.01 0.00 -0.00 0.00 0.00 57.88 57.49 3i04 h LEU 482 Cb 0.37 -0.17 -0.02 0.00 -0.00 0.00 0.00 40.66 40.85 3i04 h LEU 482 CO -0.38 1.03 0.16 0.74 -0.00 0.00 0.00 178.44 179.99 3i04 h THR 483 N 0.17 1.04 -0.07 0.22 2.02 -1.23 -0.52 112.91 114.54 3i04 h THR 483 Ca 0.01 -0.11 -0.00 0.00 0.77 0.00 0.00 66.41 67.07 3i04 h THR 483 Cb 0.93 0.68 -0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3i04 h THR 483 CO 0.07 0.06 0.03 0.58 0.37 0.00 0.00 175.52 176.63 3i04 h VAL 484 N 0.33 1.15 -0.87 3.16 2.07 -1.11 -2.30 116.25 118.69 3i04 h VAL 484 Ca 0.10 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3i04 h VAL 484 Cb -0.01 1.32 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 3i04 h VAL 484 CO -0.04 0.13 0.48 0.24 0.02 0.00 0.00 177.57 178.40 3i04 h MET 485 N -0.05 1.21 -0.31 1.57 2.07 -0.60 -1.65 114.93 117.16 3i04 h MET 485 Ca 0.02 -0.14 -0.15 0.00 -2.07 0.00 0.00 59.70 57.36 3i04 h MET 485 Cb 0.18 -0.24 -0.00 0.00 -1.87 0.00 0.00 31.60 29.67 3i04 h MET 485 CO -0.00 0.88 -0.41 0.87 1.07 0.00 0.00 176.91 179.33 3i04 h LYS 486 N 1.22 0.82 -0.44 1.72 1.57 -1.06 0.53 116.57 120.93 3i04 h LYS 486 Ca 0.31 -0.47 -0.08 0.00 -1.87 0.00 0.00 60.65 58.54 3i04 h LYS 486 Cb 0.02 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.35 3i04 h LYS 486 CO -0.05 1.11 -0.05 1.49 -0.57 0.00 0.00 179.45 181.37 3i04 h GLU 487 N 0.60 0.76 -0.17 3.15 4.57 -1.22 -0.82 114.58 121.45 3i04 h GLU 487 Ca 0.04 -0.22 -0.21 0.00 -1.18 0.00 0.00 59.36 57.79 3i04 h GLU 487 Cb 1.00 -0.08 0.01 0.00 -0.16 0.00 0.00 28.75 29.52 3i04 h GLU 487 CO 0.10 0.80 -0.69 -0.07 -1.18 0.00 0.00 179.01 177.97 3i04 h LEU 488 N 0.70 0.91 -0.62 1.64 3.38 -1.01 -2.91 115.31 117.41 3i04 h LEU 488 Ca 0.13 -0.61 0.00 0.00 0.09 0.00 0.00 57.88 57.49 3i04 h LEU 488 Cb 0.51 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.96 3i04 h LEU 488 CO 0.03 1.37 0.40 -0.07 0.09 0.00 0.00 178.44 180.26 3i04 h LEU 489 N 0.51 0.72 -1.48 1.67 3.38 -0.69 -1.33 115.31 118.08 3i04 h LEU 489 Ca -0.04 -0.03 0.12 0.00 0.09 0.00 0.00 57.88 58.02 3i04 h LEU 489 Cb 1.32 -0.18 -0.05 0.00 0.09 0.00 0.00 40.66 41.84 3i04 h LEU 489 CO 0.15 0.53 0.49 0.50 0.09 0.00 0.00 178.44 180.20 3i04 h LYS 490 N 0.84 0.53 -0.71 1.13 3.64 -1.03 -1.78 116.57 119.19 3i04 h LYS 490 Ca 0.22 -0.03 -0.16 0.00 -1.27 0.00 0.00 60.65 59.42 3i04 h LYS 490 Cb -0.07 -0.12 -0.09 0.00 -0.41 0.00 0.00 32.23 31.53 3i04 h LYS 490 CO -0.05 0.35 0.20 0.09 -2.27 0.00 0.00 179.45 177.77 3i04 n ASN 491 N -4.49 5.09 -1.89 4.20 3.02 -0.61 -3.48 115.26 117.10 3i04 n ASN 491 Ca 0.13 -3.12 -0.16 0.00 -0.03 0.00 0.00 54.58 51.41 3i04 n ASN 491 Cb 0.41 -0.73 0.00 0.00 -0.61 0.00 0.00 39.78 38.85 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 0.09 -4.68 -4.72 6.41 3.02 -0.94 -4.34 115.26 110.10 3i04 n ASN 492 Ca 0.37 -0.07 -0.40 0.00 -0.03 0.00 0.00 54.58 54.44 3i04 n ASN 492 Cb 1.33 -3.73 -0.04 0.00 -0.61 0.00 0.00 39.78 36.73 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 -2.83 4.91 -0.30 2.41 1.01 -0.60 -1.14 120.40 123.86 3i04 s VAL 493 Ca 0.07 1.68 -0.29 0.00 0.00 0.00 0.00 61.98 63.43 3i04 s VAL 493 Cb -0.03 -4.14 -0.01 0.00 0.00 0.00 0.00 36.38 32.20 3i04 s VAL 493 CO 0.08 0.25 1.48 0.12 0.00 0.00 0.00 175.10 177.04 3i04 s PHE 494 N 0.64 2.33 -0.28 5.22 5.36 -0.62 -4.52 117.98 126.11 3i04 s PHE 494 Ca 0.42 0.69 -0.09 0.00 -0.96 0.00 0.00 56.93 56.99 3i04 s PHE 494 Cb -0.19 -4.05 -0.02 0.00 -0.34 0.00 0.00 43.02 38.42 3i04 s PHE 494 CO 0.22 -2.32 0.12 0.08 -1.46 0.00 0.00 175.22 171.86 3i04 s VAL 495 N 5.16 4.49 0.18 3.12 1.01 -1.26 -1.80 120.40 131.30 3i04 s VAL 495 Ca 0.65 -0.31 0.05 0.00 0.00 0.00 0.00 61.98 62.38 3i04 s VAL 495 Cb -0.19 -3.21 -0.04 0.00 0.00 0.00 0.00 36.38 32.94 3i04 s VAL 495 CO 0.28 0.18 0.15 0.68 0.00 0.00 0.00 175.10 176.40 3i04 s VAL 496 N 1.62 4.49 0.00 2.92 -7.23 0.40 -1.74 120.40 120.86 3i04 s VAL 496 Ca 0.05 -1.13 -0.08 0.00 -1.81 0.00 0.00 61.98 59.01 3i04 s VAL 496 Cb -0.16 -3.32 0.00 0.00 0.56 0.00 0.00 36.38 33.47 3i04 s VAL 496 CO 0.05 -0.15 0.16 0.00 -0.31 0.00 0.00 175.10 174.86 3i04 s ALA 497 N -1.81 -0.39 0.22 1.32 0.00 -0.31 -1.20 121.76 119.60 3i04 s ALA 497 Ca 0.31 -0.09 0.00 0.00 0.00 0.00 0.00 51.96 52.19 3i04 s ALA 497 Cb -0.10 0.12 -0.05 0.00 0.00 0.00 0.00 23.12 23.10 3i04 s ALA 497 CO 0.24 -0.23 0.10 0.95 0.00 0.00 0.00 175.76 176.82 3i04 s THR 498 N -1.48 0.33 0.00 0.00 -4.23 -0.79 -1.00 115.64 108.47 3i04 s THR 498 Ca -0.14 -1.99 0.00 0.00 -1.18 0.00 0.00 61.69 58.38 3i04 s THR 498 Cb -0.07 -2.52 0.00 0.00 1.34 0.00 0.00 72.50 71.26 3i04 s THR 498 CO 0.02 -0.06 0.00 0.61 -0.54 0.00 0.00 174.62 174.65 3i04 n GLY 499 N -0.35 0.18 0.26 3.99 0.00 -0.73 -1.76 105.19 106.79 3i04 n GLY 499 Ca 0.00 -0.91 0.15 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.49 -0.91 0.00 0.87 -0.96 0.45 113.55 112.50 3i04 h SER 501 Ca -0.00 0.03 0.07 0.00 -1.23 0.00 0.00 61.79 60.66 3i04 h SER 501 Cb 0.52 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 62.56 3i04 h SER 501 CO 0.01 -0.32 0.59 0.00 -0.53 0.00 0.00 176.83 176.59 3i04 h ALA 502 N 0.15 1.52 -0.63 6.23 0.00 -0.89 -1.33 119.26 124.30 3i04 h ALA 502 Ca -0.04 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.85 3i04 h ALA 502 Cb 0.41 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 3i04 h ALA 502 CO 0.04 0.34 0.40 1.96 0.00 0.00 0.00 179.25 181.99 3i04 h GLN 503 N 1.02 0.85 -0.15 0.00 4.20 -1.22 -0.47 115.11 119.34 3i04 h GLN 503 Ca 0.40 -0.07 0.02 0.00 0.06 0.00 0.00 58.65 59.06 3i04 h GLN 503 Cb 0.22 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 27.80 3i04 h GLN 503 CO -0.15 0.59 0.04 0.00 -0.67 0.00 0.00 178.83 178.63 3i04 h ALA 504 N 1.21 0.16 -0.81 3.87 0.00 0.05 -0.87 119.26 122.86 3i04 h ALA 504 Ca 0.23 0.02 0.13 0.00 0.00 0.00 0.00 54.91 55.29 3i04 h ALA 504 Cb -0.06 0.02 -0.09 0.00 0.00 0.00 0.00 17.79 17.67 3i04 h ALA 504 CO -0.05 -0.40 0.42 0.00 0.00 0.00 0.00 179.25 179.22 3i04 h ALA 505 N 1.10 1.19 0.02 0.00 0.00 -1.14 -1.95 119.26 118.48 3i04 h ALA 505 Ca 0.07 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.05 3i04 h ALA 505 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 505 CO -0.08 -0.05 -0.01 0.78 0.00 0.00 0.00 179.25 179.89 3i04 h GLY 506 N 0.64 -0.03 1.60 0.00 0.00 -0.55 0.30 103.07 105.04 3i04 h GLY 506 Ca 0.43 0.01 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 3i04 h GLY 506 CO -0.32 -0.01 0.21 0.50 0.00 0.00 0.00 176.54 176.91 3i04 h LYS 507 N -0.42 0.52 -0.27 4.80 1.57 -1.09 -3.26 116.57 118.42 3i04 h LYS 507 Ca -0.00 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.73 3i04 h LYS 507 Cb 0.40 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.60 3i04 h LYS 507 CO 0.00 0.39 0.00 1.28 -0.57 0.00 0.00 179.45 180.56 3i04 n LEU 508 N -4.43 2.71 0.00 2.94 4.77 -0.74 -4.44 117.00 117.81 3i04 n LEU 508 Ca 0.03 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.29 3i04 n LEU 508 Cb 0.10 -0.18 0.00 0.00 -2.33 0.00 0.00 43.42 41.01 3i04 n LEU 508 CO 0.36 0.64 0.00 0.61 -1.33 0.00 0.00 177.39 177.67 3i04 n GLY 509 N 0.61 0.64 0.28 -0.72 0.00 -0.98 -4.99 105.19 100.04 3i04 n GLY 509 Ca 0.11 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.27 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 0.95 -1.09 0.99 4.32 0.10 -2.62 117.00 119.66 3i04 n LEU 510 Ca 0.00 -0.27 0.11 0.00 -0.02 0.00 0.00 56.01 55.83 3i04 n LEU 510 Cb 0.00 -0.06 0.20 0.00 -1.62 0.00 0.00 43.42 41.94 3i04 n LEU 510 CO 0.00 0.17 0.68 0.18 -1.22 0.00 0.00 177.39 177.20 3i04 n LEU 511 N -0.41 3.37 -4.54 2.23 4.77 -1.15 -2.45 117.00 118.82 3i04 n LEU 511 Ca 0.17 -1.52 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 3i04 n LEU 511 Cb 0.30 -0.24 -0.08 0.00 -2.33 0.00 0.00 43.42 41.07 3i04 n LEU 511 CO 0.20 0.73 0.26 -0.62 -1.33 0.00 0.00 177.39 176.64 3i04 s ASP 512 N -1.41 6.31 0.63 -1.43 -1.08 -1.08 -0.33 116.67 118.28 3i04 s ASP 512 Ca 0.36 -0.16 0.24 0.00 -0.52 0.00 0.00 52.55 52.47 3i04 s ASP 512 Cb 0.21 -2.28 1.13 0.00 -1.46 0.00 0.00 42.92 40.53 3i04 s ASP 512 CO 0.30 -0.57 1.61 -0.65 0.52 0.00 0.00 175.17 176.37 3i04 h PRO 513 N 8.59 0.00 0.00 4.34 0.11 -1.87 0.12 132.00 143.29 3i04 h PRO 513 Ca -0.27 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.84 3i04 h PRO 513 Cb 1.11 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.22 3i04 h PRO 513 CO 0.81 0.00 0.00 0.00 -0.21 0.00 0.00 178.00 178.60 3i04 n ALA 514 N -2.05 1.90 0.25 -0.75 0.00 -1.26 -2.56 120.51 116.04 3i04 n ALA 514 Ca 0.08 -0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3i04 n ALA 514 Cb 0.85 -1.28 0.15 0.00 0.00 0.00 0.00 19.45 19.17 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 -1.36 2.92 -0.20 0.00 5.03 0.42 -4.42 115.26 117.65 3i04 n ASN 515 Ca 0.07 -1.85 0.00 0.00 0.87 0.00 0.00 54.58 53.67 3i04 n ASN 515 Cb 0.16 -0.17 0.24 0.00 -1.02 0.00 0.00 39.78 38.99 3i04 n ASN 515 CO 0.00 0.00 0.00 0.58 -1.83 0.00 0.00 177.26 176.01 3i04 h VAL 516 N 3.29 1.20 -0.28 2.41 2.07 -1.64 -2.60 116.25 120.70 3i04 h VAL 516 Ca 0.00 -0.42 -0.15 0.00 0.82 0.00 0.00 66.70 66.95 3i04 h VAL 516 Cb 0.79 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.74 3i04 h VAL 516 CO 0.00 0.20 -0.43 -0.33 0.02 0.00 0.00 177.57 177.04 3i04 h GLU 517 N 0.98 0.69 0.00 1.57 4.39 -1.83 -2.17 114.58 118.21 3i04 h GLU 517 Ca 0.26 -0.37 -0.07 0.00 0.34 0.00 0.00 59.36 59.52 3i04 h GLU 517 Cb -0.05 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.61 3i04 h GLU 517 CO -0.05 0.99 -0.33 0.00 -1.16 0.00 0.00 179.01 178.46 3i04 h THR 518 N 0.56 0.80 0.00 1.13 1.03 -1.72 -3.39 112.91 111.31 3i04 h THR 518 Ca 0.04 -1.38 -0.09 0.00 -0.01 0.00 0.00 66.41 64.97 3i04 h THR 518 Cb 0.97 1.86 -0.02 0.00 -1.07 0.00 0.00 68.15 69.89 3i04 h THR 518 CO 0.09 0.32 -1.34 -1.22 -0.01 0.00 0.00 175.52 173.37 3i04 n TYR 519 N -3.52 0.00 -2.94 0.00 0.53 -1.03 -5.05 117.16 105.15 3i04 n TYR 519 Ca -0.00 0.00 -0.40 0.00 -1.02 0.00 0.00 57.90 56.48 3i04 n TYR 519 Cb 0.48 -0.23 -0.05 0.00 -1.03 0.00 0.00 39.34 38.51 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 -0.15 1.59 0.37 0.00 0.00 -0.71 -4.62 107.32 103.81 3i04 s GLY 521 Ca 0.40 -0.17 0.06 0.00 0.00 0.00 0.00 44.72 45.02 3i04 s GLY 521 CO 0.24 0.40 1.94 -0.55 0.00 0.00 0.00 173.10 175.13 3i04 h ASP 522 N -1.84 0.41 0.04 1.64 3.32 -1.92 0.18 116.42 118.26 3i04 h ASP 522 Ca -0.53 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.46 3i04 h ASP 522 Cb 1.31 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.75 3i04 h ASP 522 CO 0.55 0.45 -0.02 1.23 -1.72 0.00 0.00 179.24 179.73 3i04 h GLY 523 N 0.72 -0.06 0.79 2.75 0.00 -1.92 -1.36 103.07 103.97 3i04 h GLY 523 Ca 0.10 0.02 -0.01 0.00 0.00 0.00 0.00 47.33 47.45 3i04 h GLY 523 CO 0.00 -0.02 0.01 -2.00 0.00 0.00 0.00 176.54 174.53 3i04 h LEU 524 N -0.41 0.08 -0.96 3.11 5.85 -1.58 -0.03 115.31 121.37 3i04 h LEU 524 Ca -0.01 -0.24 0.18 0.00 0.84 0.00 0.00 57.88 58.65 3i04 h LEU 524 Cb 0.37 -0.02 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 3i04 h LEU 524 CO 0.01 0.30 0.56 0.50 -0.34 0.00 0.00 178.44 179.47 3i04 h LYS 525 N -0.14 0.71 0.05 1.25 3.64 -0.68 0.35 116.57 121.75 3i04 h LYS 525 Ca 0.02 -0.04 -0.24 0.00 -1.27 0.00 0.00 60.65 59.11 3i04 h LYS 525 Cb 0.25 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.89 3i04 h LYS 525 CO 0.00 0.47 -1.16 0.78 -2.27 0.00 0.00 179.45 177.27 3i04 h GLY 526 N 0.73 0.11 0.98 5.01 0.00 -1.09 -1.25 103.07 107.56 3i04 h GLY 526 Ca 0.54 -0.28 0.01 0.00 0.00 0.00 0.00 47.33 47.60 3i04 h GLY 526 CO -0.38 0.25 0.31 -2.75 0.00 0.00 0.00 176.54 173.97 3i04 h PHE 527 N 0.03 0.59 -0.29 5.60 3.57 0.04 -1.35 116.94 125.13 3i04 h PHE 527 Ca -0.08 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.32 3i04 h PHE 527 Cb 1.86 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 40.39 3i04 h PHE 527 CO 0.02 0.36 -0.30 -0.07 -2.23 0.00 0.00 178.31 176.09 3i04 h LEU 528 N 0.63 0.62 -0.02 0.59 3.38 -0.24 -1.32 115.31 118.95 3i04 h LEU 528 Ca 0.18 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.91 3i04 h LEU 528 Cb -0.05 -0.17 -0.00 0.00 0.09 0.00 0.00 40.66 40.53 3i04 h LEU 528 CO -0.05 0.89 0.00 0.11 0.09 0.00 0.00 178.44 179.48 3i04 h LYS 529 N 0.51 0.03 -0.24 1.13 1.57 -1.16 0.13 116.57 118.55 3i04 h LYS 529 Ca 0.06 -0.01 0.06 0.00 -1.87 0.00 0.00 60.65 58.89 3i04 h LYS 529 Cb 0.78 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 33.03 3i04 h LYS 529 CO 0.06 0.30 -0.15 -0.09 -0.57 0.00 0.00 179.45 179.00 3i04 h ARG 530 N -0.24 -0.13 0.04 3.15 2.43 -1.20 -0.52 114.38 117.92 3i04 h ARG 530 Ca 0.01 0.01 0.02 0.00 -0.81 0.00 0.00 59.98 59.20 3i04 h ARG 530 Cb 0.28 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.83 3i04 h ARG 530 CO 0.00 -0.09 -0.16 -0.07 -1.51 0.00 0.00 179.97 178.14 3i04 h LEU 531 N -0.14 -0.45 -0.46 3.80 3.38 -1.19 -1.94 115.31 118.32 3i04 h LEU 531 Ca 0.13 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.10 3i04 h LEU 531 Cb 0.34 0.18 -0.02 0.00 0.09 0.00 0.00 40.66 41.26 3i04 h LEU 531 CO -0.33 -0.22 0.03 1.23 0.09 0.00 0.00 178.44 179.23 3i04 h GLY 532 N -0.28 0.85 0.84 0.83 0.00 -0.72 -2.20 103.07 102.39 3i04 h GLY 532 Ca 0.04 -0.61 -0.04 0.00 0.00 0.00 0.00 47.33 46.72 3i04 h GLY 532 CO -0.13 0.56 -0.01 0.83 0.00 0.00 0.00 176.54 177.79 3i04 h GLU 533 N 0.64 0.42 0.00 4.80 5.08 -1.14 -1.24 114.58 123.14 3i04 h GLU 533 Ca 0.13 -0.14 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3i04 h GLU 533 Cb 0.46 -0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.68 3i04 h GLU 533 CO 0.02 0.61 -0.05 0.78 -1.00 0.00 0.00 179.01 179.37 3i04 h GLY 534 N 0.18 0.00 -0.95 -3.84 0.00 -1.29 -1.68 103.07 95.49 3i04 h GLY 534 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.39 3i04 h GLY 534 CO 0.01 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.55 3i04 n ALA 535 N -2.50 2.54 -3.69 3.60 0.00 -0.83 -4.96 120.51 114.65 3i04 n ALA 535 Ca -0.03 -0.53 -0.25 0.00 0.00 0.00 0.00 53.44 52.64 3i04 n ALA 535 Cb 0.13 -1.05 0.03 0.00 0.00 0.00 0.00 19.45 18.56 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 0.56 -2.85 -4.40 0.00 3.02 -0.63 -4.96 115.26 106.00 3i04 n ASN 536 Ca 0.17 -0.91 -0.44 0.00 -0.03 0.00 0.00 54.58 53.37 3i04 n ASN 536 Cb 0.43 -3.78 -0.05 0.00 -0.61 0.00 0.00 39.78 35.78 3i04 n ASN 536 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 3i04 s ILE 537 N -3.63 4.85 0.08 2.41 1.01 -0.51 -4.99 121.20 120.42 3i04 s ILE 537 Ca 0.20 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.78 3i04 s ILE 537 Cb -0.06 -4.42 -0.08 0.00 0.01 0.00 0.00 42.46 37.91 3i04 s ILE 537 CO 0.83 -1.01 1.36 -0.33 0.00 0.00 0.00 174.94 175.79 3i04 h GLU 538 N 9.12 -0.33 0.00 2.79 3.07 -1.93 -2.41 114.58 124.89 3i04 h GLU 538 Ca -0.29 0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.59 3i04 h GLU 538 Cb 1.09 0.08 0.00 0.00 -0.84 0.00 0.00 28.75 29.08 3i04 h GLU 538 CO 1.05 -0.22 0.00 0.44 -1.40 0.00 0.00 179.01 178.88 3i04 n ILE 539 N -4.46 0.38 0.00 3.13 -5.35 -1.26 -5.02 119.36 106.78 3i04 n ILE 539 Ca -0.03 0.09 0.00 0.00 -0.27 0.00 0.00 62.75 62.54 3i04 n ILE 539 Cb 0.24 -0.69 0.00 0.00 -1.74 0.00 0.00 39.64 37.45 3i04 n ILE 539 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3i04 n GLY 540 N 0.91 -0.46 3.89 3.28 0.00 -0.91 -4.71 105.19 107.19 3i04 n GLY 540 Ca 0.06 -1.81 -0.33 0.00 0.00 0.00 0.00 46.02 43.94 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 -1.16 4.30 0.76 0.99 1.43 -1.26 -4.82 118.68 118.91 3i04 s LEU 541 Ca 0.00 0.65 -0.11 0.00 -1.03 0.00 0.00 54.13 53.64 3i04 s LEU 541 Cb 0.00 -3.14 0.05 0.00 0.03 0.00 0.00 46.19 43.13 3i04 s LEU 541 CO 0.00 0.11 1.09 -2.16 0.23 0.00 0.00 176.35 175.62 3i04 s PRO 542 N -2.32 2.40 0.19 1.29 0.04 -1.26 -4.29 135.00 131.05 3i04 s PRO 542 Ca 0.37 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 62.01 3i04 s PRO 542 Cb -0.13 -1.95 0.12 0.00 0.04 0.00 0.00 34.50 32.58 3i04 s PRO 542 CO 0.21 -1.42 1.80 -1.35 0.04 0.00 0.00 177.00 176.29 3i04 h PRO 543 N -0.94 0.97 -5.79 0.56 0.11 -1.79 -3.44 132.00 121.67 3i04 h PRO 543 Ca -0.46 -0.12 -0.68 0.00 0.11 0.00 0.00 66.00 64.85 3i04 h PRO 543 Cb 1.25 -0.18 -0.29 0.00 0.11 0.00 0.00 31.00 31.89 3i04 h PRO 543 CO 0.59 0.74 -0.83 0.08 -0.21 0.00 0.00 178.00 178.37 3i04 s VAL 544 N -5.80 2.51 -0.45 3.15 1.01 -1.02 -4.52 120.40 115.28 3i04 s VAL 544 Ca -0.13 -0.89 -0.16 0.00 0.00 0.00 0.00 61.98 60.80 3i04 s VAL 544 Cb 0.14 -1.98 0.05 0.00 0.00 0.00 0.00 36.38 34.59 3i04 s VAL 544 CO 0.79 0.56 0.42 -0.36 0.00 0.00 0.00 175.10 176.52 3i04 s PHE 545 N -0.06 3.19 -0.56 5.22 0.40 -0.71 -4.66 117.98 120.80 3i04 s PHE 545 Ca -0.05 -0.65 -0.27 0.00 -0.60 0.00 0.00 56.93 55.36 3i04 s PHE 545 Cb -0.14 -3.04 -0.01 0.00 0.51 0.00 0.00 43.02 40.34 3i04 s PHE 545 CO 0.04 -0.77 1.74 -1.58 0.70 0.00 0.00 175.22 175.35 3i04 s HIS 546 N 1.94 1.83 -2.39 0.36 2.46 -1.26 -1.16 115.29 117.07 3i04 s HIS 546 Ca 0.08 0.67 0.29 0.00 0.47 0.00 0.00 55.06 56.56 3i04 s HIS 546 Cb -0.20 -4.18 1.21 0.00 -0.13 0.00 0.00 32.58 29.28 3i04 s HIS 546 CO 0.10 -2.35 1.84 -1.33 -2.47 0.00 0.00 174.74 170.53 3i04 n MET 547 N 8.95 1.53 0.00 2.88 2.81 -0.17 -1.99 117.12 131.13 3i04 n MET 547 Ca 0.19 -0.77 0.00 0.00 -1.81 0.00 0.00 57.70 55.31 3i04 n MET 547 Cb 0.50 -1.48 0.00 0.00 -0.71 0.00 0.00 33.22 31.53 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 1.14 0.76 3.61 3.03 0.00 -1.25 -4.70 105.19 107.78 3i04 n GLY 548 Ca 0.20 -2.08 -0.29 0.00 0.00 0.00 0.00 46.02 43.85 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 1.90 0.27 1.61 1.04 -1.26 -1.77 113.70 111.49 3i04 s SER 549 Ca 0.00 1.16 -0.02 0.00 0.48 0.00 0.00 55.95 57.57 3i04 s SER 549 Cb 0.00 -1.80 0.44 0.00 0.10 0.00 0.00 66.02 64.76 3i04 s SER 549 CO 0.00 -3.58 1.88 0.00 0.98 0.00 0.00 173.24 172.52 3i04 h VAL 551 N 1.15 0.97 0.00 0.00 -1.51 -1.93 -0.53 116.25 114.40 3i04 h VAL 551 Ca 0.44 -0.16 0.00 0.00 -1.23 0.00 0.00 66.70 65.75 3i04 h VAL 551 Cb 0.22 1.09 0.00 0.00 -2.13 0.00 0.00 31.29 30.46 3i04 h VAL 551 CO -0.18 0.05 0.00 0.47 -1.23 0.00 0.00 177.57 176.67 3i04 n ASP 552 N -4.39 0.00 -0.25 4.19 9.92 -0.29 -1.14 116.55 124.59 3i04 n ASP 552 Ca -0.03 -0.32 0.30 0.00 -0.53 0.00 0.00 54.79 54.21 3i04 n ASP 552 Cb 0.13 -0.08 0.70 0.00 -0.64 0.00 0.00 41.12 41.23 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 0.07 -0.21 -2.24 2.35 -1.04 -1.02 115.58 113.49 3i04 h ASN 553 Ca 0.00 0.01 0.06 0.00 -0.55 0.00 0.00 56.30 55.82 3i04 h ASN 553 Cb 0.04 -0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.40 3i04 h ASN 553 CO 0.00 0.02 0.15 0.77 -1.65 0.00 0.00 177.43 176.72 3i04 h SER 554 N 0.06 0.00 -0.45 5.81 4.64 -1.35 -1.26 113.55 121.00 3i04 h SER 554 Ca 0.50 0.00 -0.13 0.00 -0.47 0.00 0.00 61.79 61.69 3i04 h SER 554 Cb 1.86 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.94 3i04 h SER 554 CO -0.05 0.00 -0.21 0.03 -0.87 0.00 0.00 176.83 175.73 3i04 h ARG 555 N 0.00 0.95 -0.75 4.77 3.08 -1.41 -2.39 114.38 118.63 3i04 h ARG 555 Ca 0.10 -0.41 -0.01 0.00 0.07 0.00 0.00 59.98 59.73 3i04 h ARG 555 Cb 0.40 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 30.38 3i04 h ARG 555 CO -0.00 1.07 0.42 0.00 -1.07 0.00 0.00 179.97 180.39 3i04 h ALA 556 N 0.85 1.33 -0.66 0.04 0.00 -1.27 -0.65 119.26 118.90 3i04 h ALA 556 Ca 0.10 -0.11 0.01 0.00 0.00 0.00 0.00 54.91 54.91 3i04 h ALA 556 Cb 0.79 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.24 3i04 h ALA 556 CO 0.07 0.55 0.43 0.28 0.00 0.00 0.00 179.25 180.58 3i04 h VAL 557 N 1.04 1.16 -0.79 0.00 2.07 -1.16 -1.12 116.25 117.45 3i04 h VAL 557 Ca 0.27 -0.30 0.01 0.00 0.82 0.00 0.00 66.70 67.50 3i04 h VAL 557 Cb 0.01 0.20 -0.04 0.00 -1.52 0.00 0.00 31.29 29.94 3i04 h VAL 557 CO -0.04 0.16 0.53 0.44 0.02 0.00 0.00 177.57 178.67 3i04 h ASP 558 N 0.88 0.90 -0.15 0.57 3.32 -0.76 0.33 116.42 121.52 3i04 h ASP 558 Ca 0.24 -0.02 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3i04 h ASP 558 Cb -0.09 -0.22 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 3i04 h ASP 558 CO -0.06 0.64 0.01 0.25 -1.72 0.00 0.00 179.24 178.37 3i04 h LEU 559 N 1.06 0.24 -0.34 1.55 5.85 -0.92 0.21 115.31 122.96 3i04 h LEU 559 Ca 0.30 -0.28 0.04 0.00 0.84 0.00 0.00 57.88 58.77 3i04 h LEU 559 Cb -0.09 -0.07 -0.04 0.00 0.37 0.00 0.00 40.66 40.83 3i04 h LEU 559 CO -0.07 0.47 0.11 0.25 -0.34 0.00 0.00 178.44 178.86 3i04 h LEU 560 N 0.01 0.11 -1.12 2.25 5.85 -0.67 -1.50 115.31 120.25 3i04 h LEU 560 Ca 0.04 0.04 -0.06 0.00 0.84 0.00 0.00 57.88 58.74 3i04 h LEU 560 Cb 0.34 0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.38 3i04 h LEU 560 CO 0.01 0.10 -0.02 0.24 -0.34 0.00 0.00 178.44 178.42 3i04 h MET 561 N 0.25 0.59 -0.33 1.25 2.86 -0.17 -1.33 114.93 118.05 3i04 h MET 561 Ca 0.16 -0.14 -0.07 0.00 -2.06 0.00 0.00 59.70 57.58 3i04 h MET 561 Cb 0.14 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.71 3i04 h MET 561 CO -0.17 0.63 -0.08 0.00 1.06 0.00 0.00 176.91 178.35 3i04 h ALA 562 N 1.42 0.46 -0.02 6.32 0.00 -0.55 -1.74 119.26 125.15 3i04 h ALA 562 Ca 0.11 -0.29 0.02 0.00 0.00 0.00 0.00 54.91 54.75 3i04 h ALA 562 Cb 0.39 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.04 3i04 h ALA 562 CO 0.02 0.29 -0.09 0.52 0.00 0.00 0.00 179.25 179.98 3i04 h MET 563 N 0.42 -0.15 -0.39 0.00 2.07 -1.14 -2.11 114.93 113.63 3i04 h MET 563 Ca 0.08 0.01 0.07 0.00 -2.07 0.00 0.00 59.70 57.80 3i04 h MET 563 Cb 0.57 0.03 -0.07 0.00 -1.87 0.00 0.00 31.60 30.27 3i04 h MET 563 CO 0.03 -0.10 -0.02 0.00 1.07 0.00 0.00 176.91 177.89 3i04 h ALA 564 N 0.85 0.33 -0.95 6.32 0.00 -1.23 0.15 119.26 124.73 3i04 h ALA 564 Ca 0.04 0.12 0.04 0.00 0.00 0.00 0.00 54.91 55.12 3i04 h ALA 564 Cb 0.21 0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.16 3i04 h ALA 564 CO -0.11 -0.41 0.62 -0.97 0.00 0.00 0.00 179.25 178.38 3i04 h ASN 565 N 0.08 1.02 0.13 0.00 -1.24 -1.22 -0.26 115.58 114.09 3i04 h ASN 565 Ca 0.19 -0.01 -0.29 0.00 0.71 0.00 0.00 56.30 56.91 3i04 h ASN 565 Cb 0.28 -0.23 0.02 0.00 0.73 0.00 0.00 38.32 39.12 3i04 h ASN 565 CO -0.34 0.69 -1.18 -0.78 -1.29 0.00 0.00 177.43 174.53 3i04 h ASP 566 N 1.18 0.85 0.49 1.15 -0.00 -0.82 -2.90 116.42 116.37 3i04 h ASP 566 Ca 0.38 -0.76 0.00 0.00 -0.00 0.00 0.00 57.03 56.65 3i04 h ASP 566 Cb 0.04 -0.27 0.00 0.00 -0.00 0.00 0.00 39.33 39.10 3i04 h ASP 566 CO -0.12 1.56 0.00 -0.07 -0.00 0.00 0.00 179.24 180.61 3i04 h LEU 567 N 0.30 0.00 0.64 2.28 3.38 -0.65 -3.47 115.31 117.79 3i04 h LEU 567 Ca -0.17 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.67 3i04 h LEU 567 Cb 1.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.60 3i04 h LEU 567 CO 0.23 0.00 -0.19 0.61 0.09 0.00 0.00 178.44 179.18 3i04 n GLY 568 N -0.52 0.15 3.17 0.83 0.00 -0.22 -5.04 105.19 103.57 3i04 n GLY 568 Ca -0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 46.02 45.33 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 -2.49 0.85 0.73 1.61 -7.23 -0.57 -5.02 120.40 108.28 3i04 s VAL 569 Ca 0.04 -1.70 -0.13 0.00 -1.81 0.00 0.00 61.98 58.38 3i04 s VAL 569 Cb -0.02 -1.41 0.04 0.00 0.56 0.00 0.00 36.38 35.55 3i04 s VAL 569 CO 0.04 -0.64 1.12 -0.62 -0.31 0.00 0.00 175.10 174.69 3i04 s ASP 570 N -2.58 4.60 0.50 4.85 3.68 -1.26 -4.42 116.67 122.04 3i04 s ASP 570 Ca 0.07 2.00 0.21 0.00 2.13 0.00 0.00 52.55 56.96 3i04 s ASP 570 Cb -0.01 -2.55 1.27 0.00 -1.45 0.00 0.00 42.92 40.18 3i04 s ASP 570 CO -0.01 -1.97 2.00 0.71 0.13 0.00 0.00 175.17 176.02 3i04 h THR 571 N -0.56 0.80 0.00 1.71 1.35 -1.91 -2.05 112.91 112.25 3i04 h THR 571 Ca -0.45 -0.05 0.00 0.00 -0.55 0.00 0.00 66.41 65.36 3i04 h THR 571 Cb 1.25 0.65 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 3i04 h THR 571 CO 0.51 0.02 0.00 -2.65 -0.25 0.00 0.00 175.52 173.16 3i04 n PRO 572 N -4.42 0.07 0.00 4.72 -0.02 -1.24 -1.80 135.00 132.30 3i04 n PRO 572 Ca 0.09 0.52 0.12 0.00 -2.02 0.00 0.00 63.50 62.21 3i04 n PRO 572 Cb 0.51 -1.70 0.09 0.00 -0.02 0.00 0.00 33.50 32.38 3i04 n PRO 572 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3i04 n LYS 573 N -1.84 2.19 -3.18 -0.52 5.02 -0.77 -4.93 118.16 114.12 3i04 n LYS 573 Ca -0.00 -1.84 -0.39 0.00 -2.02 0.00 0.00 58.31 54.06 3i04 n LYS 573 Cb 0.05 -1.45 -0.06 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 -1.98 5.10 -1.14 -0.18 1.01 -0.75 -4.85 120.40 117.61 3i04 s VAL 574 Ca 0.27 1.16 -0.21 0.00 0.00 0.00 0.00 61.98 63.20 3i04 s VAL 574 Cb 0.19 -3.92 0.00 0.00 0.00 0.00 0.00 36.38 32.66 3i04 s VAL 574 CO 0.31 0.25 1.76 -2.84 0.00 0.00 0.00 175.10 174.58 3i04 s PRO 575 N 0.99 3.26 -0.08 2.72 0.02 -1.26 -4.81 135.00 135.84 3i04 s PRO 575 Ca 0.30 -1.30 -0.04 0.00 0.02 0.00 0.00 61.00 59.98 3i04 s PRO 575 Cb -0.16 -5.34 0.04 0.00 0.02 0.00 0.00 34.50 29.06 3i04 s PRO 575 CO 0.13 -2.91 0.19 0.12 -0.33 0.00 0.00 177.00 174.20 3i04 s PHE 576 N 7.21 -0.23 0.03 6.54 5.36 -1.25 -1.40 117.98 134.24 3i04 s PHE 576 Ca 0.59 0.63 0.06 0.00 -0.96 0.00 0.00 56.93 57.25 3i04 s PHE 576 Cb 0.00 -0.07 -0.02 0.00 -0.34 0.00 0.00 43.02 42.59 3i04 s PHE 576 CO 0.04 -0.22 -0.19 0.08 -1.46 0.00 0.00 175.22 173.48 3i04 s VAL 577 N 1.48 1.51 -0.05 3.12 1.01 -0.56 -4.24 120.40 122.67 3i04 s VAL 577 Ca -0.06 -1.08 0.01 0.00 0.00 0.00 0.00 61.98 60.84 3i04 s VAL 577 Cb -0.11 -1.31 -0.03 0.00 0.00 0.00 0.00 36.38 34.92 3i04 s VAL 577 CO -0.07 0.19 -0.03 0.00 0.00 0.00 0.00 175.10 175.19 3i04 s ALA 578 N -0.75 3.13 -0.04 5.51 0.00 -0.89 -0.88 121.76 127.85 3i04 s ALA 578 Ca 0.06 -0.90 0.02 0.00 0.00 0.00 0.00 51.96 51.14 3i04 s ALA 578 Cb -0.08 -1.30 0.01 0.00 0.00 0.00 0.00 23.12 21.74 3i04 s ALA 578 CO 0.01 0.60 -0.09 0.45 0.00 0.00 0.00 175.76 176.74 3i04 s SER 579 N -1.09 1.24 -0.60 0.00 0.15 0.17 -1.14 113.70 112.42 3i04 s SER 579 Ca 0.15 -0.19 0.04 0.00 0.70 0.00 0.00 55.95 56.65 3i04 s SER 579 Cb -0.11 -0.43 0.16 0.00 -1.71 0.00 0.00 66.02 63.93 3i04 s SER 579 CO 0.05 0.04 0.40 0.00 1.20 0.00 0.00 173.24 174.92 3i04 s ALA 580 N 0.41 3.27 0.35 5.45 0.00 0.09 -0.09 121.76 131.24 3i04 s ALA 580 Ca -0.07 -3.44 0.29 0.00 0.00 0.00 0.00 51.96 48.75 3i04 s ALA 580 Cb -0.11 -2.07 1.45 0.00 0.00 0.00 0.00 23.12 22.39 3i04 s ALA 580 CO 0.01 -2.06 2.05 -1.35 0.00 0.00 0.00 175.76 174.40 3i04 h PRO 581 N 5.81 0.00 -1.01 0.00 0.11 -1.83 0.23 132.00 135.31 3i04 h PRO 581 Ca 0.09 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.79 3i04 h PRO 581 Cb 0.82 0.00 -0.41 0.00 0.11 0.00 0.00 31.00 31.52 3i04 h PRO 581 CO 0.65 0.11 -1.04 0.39 -0.21 0.00 0.00 178.00 177.90 3i04 n GLU 582 N -3.47 2.03 -1.87 1.05 1.02 -1.26 -3.60 120.64 114.54 3i04 n GLU 582 Ca -0.01 -3.69 -0.41 0.00 -0.02 0.00 0.00 57.16 53.03 3i04 n GLU 582 Cb 0.26 -1.65 -0.01 0.00 -0.02 0.00 0.00 31.44 30.03 3i04 n GLU 582 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3i04 s ALA 583 N -3.39 3.58 0.08 0.62 0.00 -1.22 -2.75 121.76 118.69 3i04 s ALA 583 Ca 0.34 1.50 0.00 0.00 0.00 0.00 0.00 51.96 53.81 3i04 s ALA 583 Cb 0.42 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.95 3i04 s ALA 583 CO -0.03 -0.96 0.00 -0.12 0.00 0.00 0.00 175.76 174.65 3i04 n MET 584 N 0.78 0.00 -1.68 0.00 0.00 -1.26 -4.70 117.12 110.25 3i04 n MET 584 Ca 0.02 0.00 -0.32 0.00 0.00 0.00 0.00 57.70 57.40 3i04 n MET 584 Cb 0.40 -0.09 0.04 0.00 0.00 0.00 0.00 33.22 33.56 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 -5.06 5.38 0.44 6.12 1.04 -1.26 -4.89 113.70 115.46 3i04 s SER 585 Ca 0.00 1.72 0.17 0.00 0.48 0.00 0.00 55.95 58.32 3i04 s SER 585 Cb 0.00 -2.51 1.10 0.00 0.10 0.00 0.00 66.02 64.71 3i04 s SER 585 CO 0.00 -1.45 1.93 1.23 0.98 0.00 0.00 173.24 175.94 3i04 h GLY 586 N -0.38 0.60 0.66 7.32 0.00 -1.94 -2.60 103.07 106.72 3i04 h GLY 586 Ca -0.45 -0.15 0.07 0.00 0.00 0.00 0.00 47.33 46.80 3i04 h GLY 586 CO 0.56 0.05 0.42 0.50 0.00 0.00 0.00 176.54 178.08 3i04 h LYS 587 N 0.36 0.74 -0.52 4.80 1.57 -1.82 -0.05 116.57 121.66 3i04 h LYS 587 Ca 0.35 -0.04 -0.10 0.00 -1.87 0.00 0.00 60.65 58.98 3i04 h LYS 587 Cb 0.87 -0.17 -0.02 0.00 0.08 0.00 0.00 32.23 32.99 3i04 h LYS 587 CO -0.10 0.49 -0.09 0.00 -0.57 0.00 0.00 179.45 179.19 3i04 h ALA 588 N 1.38 0.87 -0.14 3.86 0.00 -1.83 -0.69 119.26 122.70 3i04 h ALA 588 Ca 0.33 -0.33 0.02 0.00 0.00 0.00 0.00 54.91 54.93 3i04 h ALA 588 Cb 0.22 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3i04 h ALA 588 CO -0.19 0.65 0.03 0.00 0.00 0.00 0.00 179.25 179.74 3i04 h ALA 589 N 1.04 0.15 -0.69 0.00 0.00 -1.18 0.03 119.26 118.61 3i04 h ALA 589 Ca 0.14 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.14 3i04 h ALA 589 Cb 0.62 0.02 -0.06 0.00 0.00 0.00 0.00 17.79 18.38 3i04 h ALA 589 CO 0.04 -0.41 0.38 0.00 0.00 0.00 0.00 179.25 179.26 3i04 h ALA 590 N 1.10 0.93 -0.34 0.00 0.00 -0.92 -1.55 119.26 118.47 3i04 h ALA 590 Ca 0.06 0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.94 3i04 h ALA 590 Cb 0.05 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.71 3i04 h ALA 590 CO -0.08 0.05 -0.02 0.82 0.00 0.00 0.00 179.25 180.02 3i04 h ILE 591 N 0.69 1.26 -0.84 0.00 2.04 -0.91 -1.65 117.51 118.10 3i04 h ILE 591 Ca 0.31 -1.00 0.01 0.00 1.00 0.00 0.00 64.86 65.18 3i04 h ILE 591 Cb 0.21 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 37.49 3i04 h ILE 591 CO -0.19 0.33 0.56 1.23 0.00 0.00 0.00 178.15 180.07 3i04 h GLY 592 N 0.41 1.18 1.01 5.37 0.00 -0.88 -1.56 103.07 108.60 3i04 h GLY 592 Ca 0.09 -0.44 -0.06 0.00 0.00 0.00 0.00 47.33 46.92 3i04 h GLY 592 CO 0.02 0.43 0.12 -0.84 0.00 0.00 0.00 176.54 176.27 3i04 h THR 593 N 1.14 1.25 0.00 4.70 2.02 -1.00 -2.40 112.91 118.61 3i04 h THR 593 Ca 0.31 -0.93 -0.06 0.00 0.77 0.00 0.00 66.41 66.50 3i04 h THR 593 Cb -0.13 0.77 -0.01 0.00 -1.74 0.00 0.00 68.15 67.04 3i04 h THR 593 CO -0.07 0.34 -0.29 4.11 0.37 0.00 0.00 175.52 179.98 3i04 h TRP 594 N 0.81 0.00 -0.46 3.16 5.08 -1.01 -2.09 115.95 121.43 3i04 h TRP 594 Ca 0.17 0.00 -0.04 0.00 1.08 0.00 0.00 58.89 60.11 3i04 h TRP 594 Cb 0.38 0.00 -0.02 0.00 -3.00 0.00 0.00 29.16 26.52 3i04 h TRP 594 CO 0.03 0.29 0.15 -1.49 -1.28 0.00 0.00 178.44 176.13 3i04 h TRP 595 N 0.00 0.74 -0.55 0.12 -0.00 -1.03 0.53 115.95 115.76 3i04 h TRP 595 Ca -0.00 -0.07 0.03 0.00 -0.00 0.00 0.00 58.89 58.85 3i04 h TRP 595 Cb 0.86 -0.22 -0.04 0.00 -0.00 0.00 0.00 29.16 29.76 3i04 h TRP 595 CO 0.00 0.66 0.32 0.28 -0.00 0.00 0.00 178.44 179.70 3i04 h VAL 596 N 0.61 1.02 -0.70 1.49 2.07 -1.25 -1.58 116.25 117.91 3i04 h VAL 596 Ca 0.15 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.39 3i04 h VAL 596 Cb 0.27 0.35 -0.03 0.00 -1.52 0.00 0.00 31.29 30.35 3i04 h VAL 596 CO -0.00 0.11 0.17 0.28 0.02 0.00 0.00 177.57 178.15 3i04 h SER 597 N 0.62 1.06 0.00 0.57 0.02 -1.13 -1.99 113.55 112.69 3i04 h SER 597 Ca 0.23 -0.22 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3i04 h SER 597 Cb 0.07 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.33 3i04 h SER 597 CO -0.12 1.01 0.00 0.18 -1.14 0.00 0.00 176.83 176.76 3i04 n LEU 598 N -4.23 0.00 0.00 5.07 4.77 0.16 -4.88 117.00 117.88 3i04 n LEU 598 Ca 0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.03 3i04 n LEU 598 Cb 0.26 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.35 3i04 n LEU 598 CO 0.42 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.09 3i04 n GLY 599 N 0.67 0.95 3.66 -0.72 0.00 -0.76 -4.68 105.19 104.30 3i04 n GLY 599 Ca 0.10 -0.07 -0.34 0.00 0.00 0.00 0.00 46.02 45.71 3i04 n GLY 599 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i04 s VAL 600 N -2.00 4.15 0.22 1.61 1.01 -0.63 -3.58 120.40 121.18 3i04 s VAL 600 Ca 0.00 -0.33 -0.30 0.00 0.00 0.00 0.00 61.98 61.34 3i04 s VAL 600 Cb 0.00 -2.74 -0.10 0.00 0.00 0.00 0.00 36.38 33.54 3i04 s VAL 600 CO 0.00 0.58 1.45 -2.84 0.00 0.00 0.00 175.10 174.29 3i04 s PRO 601 N -0.93 4.27 -0.27 2.72 0.02 -1.26 -2.76 135.00 136.79 3i04 s PRO 601 Ca 0.14 2.27 -0.00 0.00 0.02 0.00 0.00 61.00 63.43 3i04 s PRO 601 Cb -0.11 -3.13 0.08 0.00 0.02 0.00 0.00 34.50 31.36 3i04 s PRO 601 CO 0.03 -0.44 0.04 0.99 -0.33 0.00 0.00 177.00 177.29 3i04 s THR 602 N 0.27 1.18 0.18 0.99 2.01 0.15 -2.09 115.64 118.32 3i04 s THR 602 Ca 0.61 -1.34 -0.30 0.00 0.31 0.00 0.00 61.69 60.97 3i04 s THR 602 Cb -0.41 -1.73 -0.08 0.00 0.01 0.00 0.00 72.50 70.29 3i04 s THR 602 CO 0.40 -0.43 1.10 -2.28 -0.69 0.00 0.00 174.62 172.71 3i04 s HIS 603 N 1.50 3.60 -0.07 4.92 5.04 -0.29 -0.41 115.29 129.58 3i04 s HIS 603 Ca 0.04 1.61 0.03 0.00 -1.54 0.00 0.00 55.06 55.20 3i04 s HIS 603 Cb -0.18 -3.27 0.01 0.00 0.04 0.00 0.00 32.58 29.18 3i04 s HIS 603 CO -0.15 -0.58 -0.17 0.08 -2.34 0.00 0.00 174.74 171.58 3i04 s VAL 604 N -0.25 1.51 -1.75 0.89 1.01 -0.36 -0.73 120.40 120.73 3i04 s VAL 604 Ca 0.49 -0.71 0.13 0.00 0.00 0.00 0.00 61.98 61.89 3i04 s VAL 604 Cb -0.29 -1.33 0.40 0.00 0.00 0.00 0.00 36.38 35.16 3i04 s VAL 604 CO 0.35 0.44 1.31 0.61 0.00 0.00 0.00 175.10 177.80 3i04 n GLY 605 N 3.61 1.29 3.10 4.51 0.00 0.07 -2.60 105.19 115.17 3i04 n GLY 605 Ca -0.21 -0.49 -0.13 0.00 0.00 0.00 0.00 46.02 45.19 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 -1.52 0.66 -0.20 2.61 -4.23 -1.26 -4.29 115.64 107.41 3i04 s THR 606 Ca 0.30 -1.32 -0.18 0.00 -1.18 0.00 0.00 61.69 59.30 3i04 s THR 606 Cb 0.17 -0.94 -0.03 0.00 1.34 0.00 0.00 72.50 73.04 3i04 s THR 606 CO 0.18 -0.48 0.50 -0.32 -0.54 0.00 0.00 174.62 173.96 3i04 s MET 607 N -2.16 4.19 0.95 3.99 1.75 -1.26 -4.89 119.30 121.86 3i04 s MET 607 Ca -0.03 0.39 -0.12 0.00 -1.25 0.00 0.00 55.69 54.67 3i04 s MET 607 Cb -0.06 -3.56 0.16 0.00 2.84 0.00 0.00 34.83 34.21 3i04 s MET 607 CO -0.00 -0.13 1.10 -2.14 -0.65 0.00 0.00 175.02 173.20 3i04 s PRO 608 N 1.58 0.85 -1.31 4.11 0.02 -1.26 -4.91 135.00 134.09 3i04 s PRO 608 Ca 0.23 0.52 -0.17 0.00 0.02 0.00 0.00 61.00 61.60 3i04 s PRO 608 Cb -0.15 -1.79 0.03 0.00 0.02 0.00 0.00 34.50 32.61 3i04 s PRO 608 CO 0.09 -2.44 1.95 -0.35 -0.33 0.00 0.00 177.00 175.92 3i04 n PRO 609 N -3.98 2.81 0.00 5.54 -0.04 -1.26 -4.46 135.00 133.61 3i04 n PRO 609 Ca 0.06 -2.86 0.00 0.00 -0.04 0.00 0.00 63.50 60.66 3i04 n PRO 609 Cb 0.57 -3.40 0.00 0.00 -0.04 0.00 0.00 33.50 30.63 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 6.03 0.00 0.37 0.52 0.24 -1.23 -3.90 118.33 120.36 3i04 n VAL 610 Ca 0.50 -0.03 0.14 0.00 -2.04 0.00 0.00 64.34 62.91 3i04 n VAL 610 Cb 0.43 0.31 0.54 0.00 -1.47 0.00 0.00 33.84 33.66 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 -1.78 -2.71 114.58 122.51 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 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 3i04 n GLY 612 N 0.14 -1.08 3.03 -3.84 0.00 -0.08 -4.38 105.19 98.98 3i04 n GLY 612 Ca 0.02 0.01 -0.31 0.00 0.00 0.00 0.00 46.02 45.73 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 -3.48 4.08 0.32 1.61 0.15 -1.02 -4.90 113.70 110.46 3i04 s SER 613 Ca 0.06 -1.23 0.02 0.00 0.70 0.00 0.00 55.95 55.49 3i04 s SER 613 Cb 0.09 -1.41 0.58 0.00 -1.71 0.00 0.00 66.02 63.57 3i04 s SER 613 CO 0.30 -0.18 1.95 0.44 1.20 0.00 0.00 173.24 176.94 3i04 h ASP 614 N 7.85 0.83 0.13 5.45 3.32 -1.83 -0.52 116.42 131.65 3i04 h ASP 614 Ca -0.22 -0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.83 3i04 h ASP 614 Cb 1.06 -0.18 0.00 0.00 0.22 0.00 0.00 39.33 40.43 3i04 h ASP 614 CO 0.46 0.56 -0.06 0.25 -1.72 0.00 0.00 179.24 178.72 3i04 h LEU 615 N 0.95 -0.15 -0.47 1.55 6.46 -1.94 -0.12 115.31 121.60 3i04 h LEU 615 Ca 0.33 -0.11 -0.08 0.00 -0.12 0.00 0.00 57.88 57.90 3i04 h LEU 615 Cb 0.12 0.04 -0.02 0.00 -0.73 0.00 0.00 40.66 40.07 3i04 h LEU 615 CO -0.11 0.02 -0.03 0.40 -0.62 0.00 0.00 178.44 178.10 3i04 h ILE 616 N -0.31 1.27 -0.37 4.05 1.08 -1.84 -0.59 117.51 120.79 3i04 h ILE 616 Ca -0.02 -1.11 0.06 0.00 -0.39 0.00 0.00 64.86 63.40 3i04 h ILE 616 Cb 0.25 1.04 -0.05 0.00 -3.07 0.00 0.00 36.82 34.99 3i04 h ILE 616 CO 0.03 0.38 0.07 0.22 -0.69 0.00 0.00 178.15 178.17 3i04 h TYR 617 N 0.69 0.12 -0.46 1.37 5.03 -1.04 -1.58 116.97 121.10 3i04 h TYR 617 Ca 0.13 0.02 -0.06 0.00 2.58 0.00 0.00 58.73 61.40 3i04 h TYR 617 Cb 0.55 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.81 3i04 h TYR 617 CO 0.04 0.02 0.05 1.03 -1.32 0.00 0.00 178.16 177.98 3i04 h SER 618 N 0.20 0.68 -0.77 -2.11 0.87 -0.71 -1.69 113.55 110.01 3i04 h SER 618 Ca 0.18 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.59 3i04 h SER 618 Cb 0.21 -0.18 -0.04 0.00 -0.44 0.00 0.00 62.40 61.95 3i04 h SER 618 CO -0.23 0.72 0.46 0.40 -0.53 0.00 0.00 176.83 177.64 3i04 h ILE 619 N 0.69 1.22 0.01 2.23 2.04 -0.30 0.22 117.51 123.63 3i04 h ILE 619 Ca 0.15 -0.51 -0.22 0.00 1.00 0.00 0.00 64.86 65.28 3i04 h ILE 619 Cb 0.35 0.16 -0.00 0.00 -0.74 0.00 0.00 36.82 36.59 3i04 h ILE 619 CO 0.01 0.24 -0.94 -0.07 0.00 0.00 0.00 178.15 177.38 3i04 h LEU 620 N 1.06 0.42 0.00 1.44 3.38 -0.86 0.30 115.31 121.06 3i04 h LEU 620 Ca 0.28 -0.35 -0.04 0.00 0.09 0.00 0.00 57.88 57.85 3i04 h LEU 620 Cb -0.02 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3i04 h LEU 620 CO -0.05 1.16 -2.01 0.35 0.09 0.00 0.00 178.44 177.98 3i04 n THR 621 N -3.70 0.19 0.03 0.22 -2.24 -0.68 -1.26 114.28 106.85 3i04 n THR 621 Ca -0.06 -0.55 0.00 0.00 -2.27 0.00 0.00 64.05 61.18 3i04 n THR 621 Cb 0.84 -0.07 0.00 0.00 -2.10 0.00 0.00 70.33 69.00 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 -2.34 0.00 0.05 -0.78 6.02 -0.07 -4.57 117.38 115.69 3i04 n GLN 622 Ca -0.07 0.00 -0.00 0.00 -0.01 0.00 0.00 57.00 56.91 3i04 n GLN 622 Cb 0.64 -0.15 0.29 0.00 1.02 0.00 0.00 30.24 32.04 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 1.22 -1.01 5.09 1.08 -1.19 -1.37 117.51 121.33 3i04 h ILE 623 Ca 0.00 -1.00 0.24 0.00 -0.39 0.00 0.00 64.86 63.71 3i04 h ILE 623 Cb 0.00 1.22 -0.11 0.00 -3.07 0.00 0.00 36.82 34.86 3i04 h ILE 623 CO 0.00 0.32 0.61 0.00 -0.69 0.00 0.00 178.15 178.39 3i04 h ALA 624 N 1.48 1.86 0.00 1.87 0.00 -1.16 -1.05 119.26 122.27 3i04 h ALA 624 Ca 0.07 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 55.03 3i04 h ALA 624 Cb 0.49 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3i04 h ALA 624 CO 0.03 -0.30 -0.24 0.66 0.00 0.00 0.00 179.25 179.40 3i04 h SER 625 N 0.58 0.00 0.19 0.00 4.64 -0.81 0.49 113.55 118.63 3i04 h SER 625 Ca 0.62 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.69 3i04 h SER 625 Cb 1.22 0.00 0.03 0.00 -0.31 0.00 0.00 62.40 63.33 3i04 h SER 625 CO -0.42 0.24 -1.09 0.44 -0.87 0.00 0.00 176.83 175.13 3i04 h ASP 626 N 0.00 0.62 0.00 4.97 3.32 -1.35 -3.04 116.42 120.95 3i04 h ASP 626 Ca -0.00 -0.94 -0.00 0.00 0.02 0.00 0.00 57.03 56.11 3i04 h ASP 626 Cb 0.63 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3i04 h ASP 626 CO 0.03 1.53 -0.00 0.58 -1.72 0.00 0.00 179.24 179.66 3i04 h VAL 627 N -0.17 1.22 0.00 -1.35 2.07 -1.00 -3.42 116.25 113.61 3i04 h VAL 627 Ca -0.19 -1.90 -0.31 0.00 0.82 0.00 0.00 66.70 65.12 3i04 h VAL 627 Cb 1.86 2.30 -0.06 0.00 -1.52 0.00 0.00 31.29 33.86 3i04 h VAL 627 CO 0.20 0.41 -2.27 -1.22 0.02 0.00 0.00 177.57 174.71 3i04 n TYR 628 N -4.67 0.00 0.00 1.57 4.02 0.16 -5.01 117.16 113.23 3i04 n TYR 628 Ca -0.07 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 3i04 n TYR 628 Cb 0.32 -0.89 0.00 0.00 -0.02 0.00 0.00 39.34 38.75 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 1.76 3.12 3.98 2.72 0.00 -0.60 -4.26 105.19 111.92 3i04 n GLY 629 Ca -0.28 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.99 1.85 -0.15 -0.02 0.00 -1.13 -4.55 107.32 100.33 3i04 s GLY 630 Ca 0.00 -1.40 -0.32 0.00 0.00 0.00 0.00 44.72 43.01 3i04 s GLY 630 CO 0.00 -1.13 1.10 -2.52 0.00 0.00 0.00 173.10 170.55 3i04 s TYR 631 N -2.68 -0.23 0.05 1.90 -0.85 -1.11 -2.29 117.35 112.14 3i04 s TYR 631 Ca 0.57 0.24 -0.26 0.00 -0.52 0.00 0.00 57.07 57.10 3i04 s TYR 631 Cb -0.10 0.50 -0.05 0.00 0.38 0.00 0.00 41.96 42.69 3i04 s TYR 631 CO 0.37 -0.29 0.81 -0.06 -1.52 0.00 0.00 175.55 174.86 3i04 s PHE 632 N -2.07 3.74 -0.44 -3.49 0.40 -0.39 0.32 117.98 116.05 3i04 s PHE 632 Ca 0.06 1.53 -0.06 0.00 -0.60 0.00 0.00 56.93 57.86 3i04 s PHE 632 Cb -0.01 -2.87 0.12 0.00 0.51 0.00 0.00 43.02 40.76 3i04 s PHE 632 CO -0.05 0.24 0.28 0.42 0.70 0.00 0.00 175.22 176.81 3i04 s ILE 633 N 0.03 3.76 -0.37 0.64 1.01 0.46 -4.49 121.20 122.24 3i04 s ILE 633 Ca 0.41 -1.92 -0.21 0.00 0.00 0.00 0.00 60.65 58.92 3i04 s ILE 633 Cb -0.21 -3.52 0.01 0.00 0.01 0.00 0.00 42.46 38.74 3i04 s ILE 633 CO 0.24 -0.74 0.68 -0.36 0.00 0.00 0.00 174.94 174.77 3i04 s PHE 634 N 1.25 3.12 -0.25 3.97 2.99 -1.26 -1.22 117.98 126.58 3i04 s PHE 634 Ca 0.07 0.35 -0.05 0.00 0.00 0.00 0.00 56.93 57.30 3i04 s PHE 634 Cb -0.25 -3.26 0.13 0.00 0.00 0.00 0.00 43.02 39.64 3i04 s PHE 634 CO -0.02 -0.70 0.50 -2.00 -0.00 0.00 0.00 175.22 173.00 3i04 s GLU 635 N 2.86 0.44 0.23 0.44 2.56 -1.07 -3.54 118.70 120.62 3i04 s GLU 635 Ca 0.26 1.02 0.16 0.00 0.00 0.00 0.00 54.97 56.41 3i04 s GLU 635 Cb -0.14 0.33 0.02 0.00 2.00 0.00 0.00 34.13 36.35 3i04 s GLU 635 CO 0.16 -0.40 1.29 0.52 -0.56 0.00 0.00 175.26 176.27 3i04 h MET 636 N 8.10 0.00 -6.32 4.30 2.86 -1.81 -3.36 114.93 118.69 3i04 h MET 636 Ca -0.19 0.00 -0.58 0.00 -2.06 0.00 0.00 59.70 56.88 3i04 h MET 636 Cb 1.13 0.00 -0.07 0.00 0.06 0.00 0.00 31.60 32.72 3i04 h MET 636 CO 0.18 0.41 0.80 0.34 1.06 0.00 0.00 176.91 179.70 3i04 s ASP 637 N -6.25 6.82 0.41 1.22 3.68 -1.26 -4.94 116.67 116.36 3i04 s ASP 637 Ca 0.02 0.85 0.09 0.00 2.13 0.00 0.00 52.55 55.64 3i04 s ASP 637 Cb 0.08 -2.52 0.86 0.00 -1.45 0.00 0.00 42.92 39.89 3i04 s ASP 637 CO 0.76 -0.93 1.99 1.55 0.13 0.00 0.00 175.17 178.67 3i04 h PRO 638 N 8.36 0.32 -0.11 4.34 0.13 -1.92 0.16 132.00 143.29 3i04 h PRO 638 Ca -0.22 -0.05 -0.07 0.00 -0.87 0.00 0.00 66.00 64.79 3i04 h PRO 638 Cb 1.06 -0.06 0.00 0.00 0.13 0.00 0.00 31.00 32.14 3i04 h PRO 638 CO 1.04 0.33 -0.22 0.37 -0.23 0.00 0.00 178.00 179.28 3i04 h GLN 639 N 0.32 0.35 -0.81 0.86 5.75 -1.92 -1.41 115.11 118.26 3i04 h GLN 639 Ca 0.08 -0.23 0.04 0.00 -0.15 0.00 0.00 58.65 58.39 3i04 h GLN 639 Cb 0.18 0.03 -0.05 0.00 1.07 0.00 0.00 27.48 28.70 3i04 h GLN 639 CO 0.00 0.82 0.51 0.28 -2.65 0.00 0.00 178.83 177.79 3i04 h VAL 640 N -0.07 1.11 -0.64 2.39 2.07 -1.93 -2.85 116.25 116.32 3i04 h VAL 640 Ca 0.00 -0.34 0.04 0.00 0.82 0.00 0.00 66.70 67.23 3i04 h VAL 640 Cb 0.81 0.03 -0.05 0.00 -1.52 0.00 0.00 31.29 30.56 3i04 h VAL 640 CO 0.05 0.18 0.37 0.00 0.02 0.00 0.00 177.57 178.19 3i04 h ALA 641 N 1.35 0.84 -0.42 1.67 0.00 -0.55 -1.43 119.26 120.71 3i04 h ALA 641 Ca 0.33 -0.00 -0.09 0.00 0.00 0.00 0.00 54.91 55.15 3i04 h ALA 641 Cb 0.03 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3i04 h ALA 641 CO -0.12 0.09 -0.09 0.00 0.00 0.00 0.00 179.25 179.12 3i04 h ALA 642 N 1.31 1.05 -0.32 0.00 0.00 -1.09 0.40 119.26 120.61 3i04 h ALA 642 Ca 0.27 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 54.88 3i04 h ALA 642 Cb 0.10 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3i04 h ALA 642 CO -0.14 0.58 0.21 -0.09 0.00 0.00 0.00 179.25 179.81 3i04 h ARG 643 N 0.67 0.42 -0.40 0.00 2.43 -1.26 -0.49 114.38 115.75 3i04 h ARG 643 Ca 0.12 -0.03 -0.10 0.00 -0.81 0.00 0.00 59.98 59.16 3i04 h ARG 643 Cb 0.55 -0.09 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 3i04 h ARG 643 CO 0.03 0.29 -0.15 0.87 -1.51 0.00 0.00 179.97 179.51 3i04 h LYS 644 N 0.43 0.75 -0.04 0.20 1.57 -0.68 0.12 116.57 118.91 3i04 h LYS 644 Ca 0.12 -0.26 -0.00 0.00 -1.87 0.00 0.00 60.65 58.63 3i04 h LYS 644 Cb -0.03 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.22 3i04 h LYS 644 CO -0.02 0.85 0.02 0.82 -0.57 0.00 0.00 179.45 180.55 3i04 h ILE 645 N 0.67 1.14 -0.89 1.86 2.04 -0.80 0.13 117.51 121.65 3i04 h ILE 645 Ca 0.11 -0.41 0.02 0.00 1.00 0.00 0.00 64.86 65.58 3i04 h ILE 645 Cb 0.63 1.34 -0.05 0.00 -0.74 0.00 0.00 36.82 38.00 3i04 h ILE 645 CO 0.04 0.11 0.59 -0.07 0.00 0.00 0.00 178.15 178.82 3i04 h LEU 646 N -0.09 1.01 -0.78 1.44 3.38 -0.74 -0.44 115.31 119.08 3i04 h LEU 646 Ca 0.01 -0.02 0.13 0.00 0.09 0.00 0.00 57.88 58.10 3i04 h LEU 646 Cb 0.17 -0.25 -0.09 0.00 0.09 0.00 0.00 40.66 40.58 3i04 h LEU 646 CO -0.00 0.72 0.35 -0.78 0.09 0.00 0.00 178.44 178.82 3i04 h ASP 647 N 1.19 0.39 0.09 -0.43 1.82 -0.55 0.00 116.42 118.94 3i04 h ASP 647 Ca 0.33 0.09 -0.18 0.00 -0.39 0.00 0.00 57.03 56.89 3i04 h ASP 647 Cb -0.10 0.04 -0.00 0.00 0.68 0.00 0.00 39.33 39.95 3i04 h ASP 647 CO -0.08 0.17 -0.64 0.00 -1.61 0.00 0.00 179.24 177.08 3i04 h ALA 648 N 1.53 0.62 -0.26 -0.78 0.00 0.53 -0.97 119.26 119.93 3i04 h ALA 648 Ca 0.42 -0.56 -0.18 0.00 0.00 0.00 0.00 54.91 54.59 3i04 h ALA 648 Cb 0.59 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 3i04 h ALA 648 CO -0.36 0.71 -0.56 -0.07 0.00 0.00 0.00 179.25 178.97 3i04 h LEU 649 N 0.39 0.88 -0.90 0.00 3.38 -0.83 -2.97 115.31 115.26 3i04 h LEU 649 Ca -0.01 -0.47 -0.06 0.00 0.09 0.00 0.00 57.88 57.43 3i04 h LEU 649 Cb 1.20 -0.25 -0.03 0.00 0.09 0.00 0.00 40.66 41.67 3i04 h LEU 649 CO 0.12 1.25 0.18 -0.08 0.09 0.00 0.00 178.44 180.00 3i04 h GLU 650 N 0.60 0.99 -0.56 1.13 4.22 -1.00 0.80 114.58 120.76 3i04 h GLU 650 Ca 0.01 -0.21 0.11 0.00 0.08 0.00 0.00 59.36 59.35 3i04 h GLU 650 Cb 1.15 -0.15 -0.08 0.00 0.50 0.00 0.00 28.75 30.17 3i04 h GLU 650 CO 0.12 0.86 0.08 -0.92 -2.18 0.00 0.00 179.01 176.97 3i04 h TYR 651 N 0.95 0.11 0.06 0.92 3.20 -1.10 0.14 116.97 121.25 3i04 h TYR 651 Ca 0.21 0.04 -0.28 0.00 3.14 0.00 0.00 58.73 61.84 3i04 h TYR 651 Cb 0.31 0.04 0.02 0.00 1.54 0.00 0.00 36.73 38.63 3i04 h TYR 651 CO 0.02 -0.06 -1.13 0.00 -1.64 0.00 0.00 178.16 175.35 3i04 h ARG 652 N 0.20 0.62 -0.62 1.82 3.08 -1.21 -1.53 114.38 116.74 3i04 h ARG 652 Ca 0.29 -0.74 -0.08 0.00 0.07 0.00 0.00 59.98 59.52 3i04 h ARG 652 Cb 0.43 0.23 -0.02 0.00 0.08 0.00 0.00 29.97 30.69 3i04 h ARG 652 CO -0.41 1.32 0.09 1.79 -1.07 0.00 0.00 179.97 181.69 3i04 h THR 653 N 0.31 1.26 0.31 2.04 1.35 -0.77 -0.84 112.91 116.57 3i04 h THR 653 Ca -0.15 -1.02 -0.01 0.00 -0.55 0.00 0.00 66.41 64.68 3i04 h THR 653 Cb 1.79 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 68.91 3i04 h THR 653 CO 0.21 0.38 -0.21 -0.25 -0.25 0.00 0.00 175.52 175.40 3i04 h TRP 654 N 0.94 -0.55 -0.22 4.73 7.01 -0.71 -1.63 115.95 125.53 3i04 h TRP 654 Ca 0.19 -0.00 -0.12 0.00 2.11 0.00 0.00 58.89 61.07 3i04 h TRP 654 Cb 0.44 0.20 -0.01 0.00 -2.10 0.00 0.00 29.16 27.69 3i04 h TRP 654 CO 0.03 -0.32 -0.37 -0.22 -2.79 0.00 0.00 178.44 174.78 3i04 h LYS 655 N -0.51 0.48 -0.49 2.65 3.64 -1.22 -1.04 116.57 120.08 3i04 h LYS 655 Ca -0.03 -0.23 -0.02 0.00 -1.27 0.00 0.00 60.65 59.11 3i04 h LYS 655 Cb 0.43 -0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 32.22 3i04 h LYS 655 CO 0.01 0.78 0.23 1.25 -2.27 0.00 0.00 179.45 179.46 3i04 h LEU 656 N 0.41 0.65 -0.45 5.20 6.46 -1.07 -1.15 115.31 125.37 3i04 h LEU 656 Ca 0.04 -0.13 -0.06 0.00 -0.12 0.00 0.00 57.88 57.61 3i04 h LEU 656 Cb 0.83 -0.17 -0.02 0.00 -0.73 0.00 0.00 40.66 40.57 3i04 h LEU 656 CO 0.07 0.61 0.06 1.23 -0.62 0.00 0.00 178.44 179.78 3i04 h GLY 657 N 0.66 0.81 0.98 3.75 0.00 -0.89 -1.72 103.07 106.65 3i04 h GLY 657 Ca 0.17 -0.55 0.00 0.00 0.00 0.00 0.00 47.33 46.96 3i04 h GLY 657 CO -0.02 0.51 0.12 -2.08 0.00 0.00 0.00 176.54 175.07 3i04 h VAL 658 N 0.61 1.04 -0.67 4.60 2.07 -1.07 -1.34 116.25 121.48 3i04 h VAL 658 Ca 0.13 -0.09 -0.05 0.00 0.82 0.00 0.00 66.70 67.52 3i04 h VAL 658 Cb 0.40 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.90 3i04 h VAL 658 CO 0.01 0.05 0.22 0.45 0.02 0.00 0.00 177.57 178.32 3i04 h HIS 659 N 0.26 1.04 -0.58 1.57 -0.00 -1.12 -0.22 115.15 116.10 3i04 h HIS 659 Ca 0.08 -0.09 -0.10 0.00 -0.00 0.00 0.00 60.37 60.26 3i04 h HIS 659 Cb -0.02 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.06 3i04 h HIS 659 CO -0.07 0.82 -0.03 0.87 -0.00 0.00 0.00 177.93 179.52 3i04 h LYS 660 N 0.98 1.03 -0.05 2.45 1.57 -1.12 0.12 116.57 121.56 3i04 h LYS 660 Ca 0.22 -0.33 -0.13 0.00 -1.87 0.00 0.00 60.65 58.53 3i04 h LYS 660 Cb 0.26 -0.09 -0.01 0.00 0.08 0.00 0.00 32.23 32.46 3i04 h LYS 660 CO -0.01 1.02 -0.58 1.49 -0.57 0.00 0.00 179.45 180.80 3i04 h GLU 661 N 0.93 0.15 -0.11 3.15 4.22 -0.88 -2.15 114.58 119.89 3i04 h GLU 661 Ca 0.16 -0.10 -0.12 0.00 0.08 0.00 0.00 59.36 59.39 3i04 h GLU 661 Cb 0.58 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.85 3i04 h GLU 661 CO 0.03 0.69 -0.39 0.28 -2.18 0.00 0.00 179.01 177.45 3i04 h VAL 662 N 0.11 1.38 -0.45 0.32 2.07 -0.96 -1.99 116.25 116.73 3i04 h VAL 662 Ca -0.00 -1.71 0.02 0.00 0.82 0.00 0.00 66.70 65.82 3i04 h VAL 662 Cb 1.06 2.16 -0.02 0.00 -1.52 0.00 0.00 31.29 32.97 3i04 h VAL 662 CO 0.09 0.51 0.30 0.00 0.02 0.00 0.00 177.57 178.48 3i04 h ALA 663 N 0.49 1.75 -0.07 1.67 0.00 -0.91 0.69 119.26 122.88 3i04 h ALA 663 Ca -0.02 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.73 3i04 h ALA 663 Cb 1.02 -0.16 0.01 0.00 0.00 0.00 0.00 17.79 18.66 3i04 h ALA 663 CO 0.08 0.21 -0.49 1.49 0.00 0.00 0.00 179.25 180.55 3i04 h GLU 664 N 0.55 0.44 0.46 0.00 4.81 -1.38 -0.28 114.58 119.17 3i04 h GLU 664 Ca 0.17 -0.39 -0.01 0.00 -0.13 0.00 0.00 59.36 59.00 3i04 h GLU 664 Cb 0.03 0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.47 3i04 h GLU 664 CO -0.04 1.03 -0.50 0.00 -0.73 0.00 0.00 179.01 178.77 3i04 h ARG 665 N -0.01 -0.94 -0.00 1.92 3.08 -1.06 -3.08 114.38 114.29 3i04 h ARG 665 Ca -0.04 0.06 0.00 0.00 0.07 0.00 0.00 59.98 60.07 3i04 h ARG 665 Cb 1.15 0.21 0.00 0.00 0.08 0.00 0.00 29.97 31.42 3i04 h ARG 665 CO 0.10 -0.62 -0.24 0.66 -1.07 0.00 0.00 179.97 178.80 3i04 n TYR 666 N -5.55 0.00 -2.90 3.04 4.02 0.21 -4.98 117.16 111.00 3i04 n TYR 666 Ca -0.12 0.00 -0.06 0.00 -0.01 0.00 0.00 57.90 57.72 3i04 n TYR 666 Cb 0.46 -0.31 0.03 0.00 -0.02 0.00 0.00 39.34 39.49 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 -1.34 -1.48 -4.29 -0.72 1.02 -0.30 -5.05 120.64 108.49 3i04 n GLU 667 Ca 0.08 1.08 -0.17 0.00 -0.02 0.00 0.00 57.16 58.14 3i04 n GLU 667 Cb 0.32 -5.17 -0.09 0.00 -0.02 0.00 0.00 31.44 26.48 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 -3.15 0.20 1.01 2.62 -4.23 -0.27 -5.03 115.64 106.79 3i04 s THR 668 Ca 0.17 -2.00 -0.12 0.00 -1.18 0.00 0.00 61.69 58.57 3i04 s THR 668 Cb -0.02 -2.52 0.17 0.00 1.34 0.00 0.00 72.50 71.47 3i04 s THR 668 CO 0.64 0.00 0.91 0.29 -0.54 0.00 0.00 174.62 175.92 3i04 n LYS 669 N -0.49 -1.07 -2.54 3.99 5.02 -1.26 -4.73 118.16 117.07 3i04 n LYS 669 Ca 0.02 -0.26 -0.40 0.00 -2.02 0.00 0.00 58.31 55.65 3i04 n LYS 669 Cb 0.65 -2.19 -0.05 0.00 -0.02 0.00 0.00 35.03 33.42 3i04 n LYS 669 CO 0.00 0.00 0.00 -1.17 -0.52 0.00 0.00 177.40 175.71 3i04 s LEU 670 N -5.53 4.56 0.23 -0.35 2.96 -1.26 -4.79 118.68 114.51 3i04 s LEU 670 Ca 0.65 2.16 -0.30 0.00 -0.22 0.00 0.00 54.13 56.42 3i04 s LEU 670 Cb -0.23 -3.62 -0.10 0.00 0.50 0.00 0.00 46.19 42.74 3i04 s LEU 670 CO 0.62 -0.09 1.52 0.00 -1.32 0.00 0.00 176.35 177.08 3i04 n GLN 672 N 2.79 2.39 -1.72 0.00 1.13 -1.26 -4.95 117.38 115.75 3i04 n GLN 672 Ca 0.09 -2.10 -0.42 0.00 -1.94 0.00 0.00 57.00 52.63 3i04 n GLN 672 Cb 0.39 -1.50 -0.00 0.00 0.11 0.00 0.00 30.24 29.24 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 1.45 0.79 0.00 1.08 0.00 -1.26 -4.96 105.19 102.29 3i04 n GLY 673 Ca 0.19 0.31 0.08 0.00 0.00 0.00 0.00 46.02 46.59 3i04 n GLY 673 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60