#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jb0 s VAL 14 N 0.00 5.25 -0.02 5.15 1.01 -1.26 -4.80 120.40 125.73 1jb0 s VAL 14 Ca 0.00 0.15 0.06 0.00 0.00 0.00 0.00 61.98 62.19 1jb0 s VAL 14 Cb 0.00 -3.49 -0.01 0.00 0.00 0.00 0.00 36.38 32.88 1jb0 s VAL 14 CO 0.00 0.28 -0.21 -0.69 0.00 0.00 0.00 175.10 174.48 1jb0 s VAL 15 N 1.58 1.64 0.15 2.92 1.01 -1.26 -5.09 120.40 121.34 1jb0 s VAL 15 Ca 0.07 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.11 1jb0 s VAL 15 Cb -0.15 -1.37 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1jb0 s VAL 15 CO 0.09 0.47 0.20 -0.69 0.00 0.00 0.00 175.10 175.16 1jb0 s VAL 16 N -0.43 0.08 -0.09 2.92 1.01 -1.26 -1.51 120.40 121.12 1jb0 s VAL 16 Ca 0.07 -1.58 0.04 0.00 0.00 0.00 0.00 61.98 60.51 1jb0 s VAL 16 Cb -0.09 -1.91 -0.00 0.00 0.00 0.00 0.00 36.38 34.38 1jb0 s VAL 16 CO -0.00 -0.37 -0.23 -1.81 0.00 0.00 0.00 175.10 172.69 1jb0 s ASP 17 N -3.00 3.00 0.13 3.32 1.01 -0.81 -4.85 116.67 115.47 1jb0 s ASP 17 Ca 0.20 -0.54 -0.21 0.00 0.71 0.00 0.00 52.55 52.71 1jb0 s ASP 17 Cb 0.05 -1.28 -0.07 0.00 1.01 0.00 0.00 42.92 42.62 1jb0 s ASP 17 CO 0.01 0.17 0.65 0.20 0.21 0.00 0.00 175.17 176.40 1jb0 s ASN 18 N 0.28 7.15 -0.73 0.27 0.01 -1.26 -2.19 114.94 118.48 1jb0 s ASN 18 Ca -0.16 1.39 -0.10 0.00 -0.71 0.00 0.00 52.86 53.28 1jb0 s ASN 18 Cb -0.17 -2.41 0.01 0.00 0.41 0.00 0.00 41.25 39.10 1jb0 s ASN 18 CO 0.08 0.21 0.47 0.47 -1.51 0.00 0.00 177.10 176.82 1jb0 n ASP 19 N 1.49 -3.37 0.10 -1.22 9.92 0.92 -4.86 116.55 119.53 1jb0 n ASP 19 Ca -0.07 -0.83 -0.03 0.00 -0.53 0.00 0.00 54.79 53.32 1jb0 n ASP 19 Cb 0.50 -1.18 -0.05 0.00 -0.64 0.00 0.00 41.12 39.75 1jb0 n ASP 19 CO 0.00 0.00 0.00 -0.65 0.13 0.00 0.00 177.20 176.68 1jb0 h PRO 20 N -0.44 0.00 -4.14 -0.24 0.11 -1.70 -3.44 132.00 122.15 1jb0 h PRO 20 Ca -0.50 0.00 -0.51 0.00 0.11 0.00 0.00 66.00 65.09 1jb0 h PRO 20 Cb 1.05 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.79 1jb0 h PRO 20 CO 0.32 0.79 -0.80 0.08 -0.21 0.00 0.00 178.00 178.18 1jb0 s VAL 21 N -2.84 0.92 0.23 3.15 1.01 -1.25 -5.08 120.40 116.53 1jb0 s VAL 21 Ca 0.02 -0.23 -0.31 0.00 0.00 0.00 0.00 61.98 61.47 1jb0 s VAL 21 Cb 0.09 -0.96 -0.10 0.00 0.00 0.00 0.00 36.38 35.40 1jb0 s VAL 21 CO 0.79 0.34 1.54 -2.84 0.00 0.00 0.00 175.10 174.94 1jb0 s PRO 22 N 1.75 4.20 -0.74 2.72 0.02 -1.26 -4.54 135.00 137.16 1jb0 s PRO 22 Ca 0.05 2.41 -0.25 0.00 0.02 0.00 0.00 61.00 63.23 1jb0 s PRO 22 Cb -0.13 -3.10 0.05 0.00 0.02 0.00 0.00 34.50 31.34 1jb0 s PRO 22 CO -0.08 -0.56 1.19 0.99 -0.33 0.00 0.00 177.00 178.21 1jb0 s THR 23 N 0.50 3.96 -0.05 0.99 2.01 -1.26 -4.98 115.64 116.80 1jb0 s THR 23 Ca 0.65 0.03 -0.06 0.00 0.31 0.00 0.00 61.69 62.62 1jb0 s THR 23 Cb -0.44 -4.85 0.01 0.00 0.01 0.00 0.00 72.50 67.23 1jb0 s THR 23 CO 0.39 -1.73 0.17 -0.55 -0.69 0.00 0.00 174.62 172.21 1jb0 s SER 24 N 3.80 -0.14 0.00 3.53 0.15 -1.26 -5.03 113.70 114.75 1jb0 s SER 24 Ca 0.31 0.24 0.26 0.00 0.70 0.00 0.00 55.95 57.46 1jb0 s SER 24 Cb -0.10 0.32 1.54 0.00 -1.71 0.00 0.00 66.02 66.07 1jb0 s SER 24 CO 0.11 -0.12 1.93 0.49 1.20 0.00 0.00 173.24 176.85 1jb0 n PHE 25 N 2.69 0.00 -0.22 3.44 3.01 -1.26 -4.01 117.46 121.11 1jb0 n PHE 25 Ca -0.14 0.00 0.03 0.00 1.01 0.00 0.00 57.45 58.34 1jb0 n PHE 25 Cb 0.58 0.00 0.14 0.00 -0.01 0.00 0.00 39.48 40.19 1jb0 n PHE 25 CO 0.00 0.00 0.00 1.49 1.01 0.00 0.00 176.76 179.26 1jb0 h GLU 26 N 0.00 0.28 0.00 -1.08 4.81 -1.98 -1.66 114.58 114.95 1jb0 h GLU 26 Ca 0.00 -0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.19 1jb0 h GLU 26 Cb 0.00 -0.06 -0.00 0.00 0.63 0.00 0.00 28.75 29.31 1jb0 h GLU 26 CO 0.00 0.19 -0.11 0.87 -0.73 0.00 0.00 179.01 179.23 1jb0 h LYS 27 N 0.29 0.00 -0.05 1.92 1.57 -1.93 -2.90 116.57 115.48 1jb0 h LYS 27 Ca 0.36 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 59.12 1jb0 h LYS 27 Cb 0.56 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.87 1jb0 h LYS 27 CO -0.44 0.11 -0.04 -1.49 -0.57 0.00 0.00 179.45 177.02 1jb0 h TRP 28 N 0.00 0.06 -0.00 -1.35 4.06 -1.55 0.04 115.95 117.21 1jb0 h TRP 28 Ca -0.00 -0.00 0.00 0.00 2.06 0.00 0.00 58.89 60.95 1jb0 h TRP 28 Cb 0.99 -0.02 0.00 0.00 -1.00 0.00 0.00 29.16 29.13 1jb0 h TRP 28 CO 0.00 0.11 -0.06 0.00 -3.56 0.00 0.00 178.44 174.93 1jb0 n ALA 29 N -2.52 2.61 -3.86 1.49 0.00 -1.09 -4.46 120.51 112.68 1jb0 n ALA 29 Ca -0.02 -0.19 -0.32 0.00 0.00 0.00 0.00 53.44 52.91 1jb0 n ALA 29 Cb 0.15 -1.42 -0.12 0.00 0.00 0.00 0.00 19.45 18.06 1jb0 n ALA 29 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1jb0 s LYS 30 N -2.60 2.29 0.03 0.00 1.02 0.00 -5.08 119.74 115.41 1jb0 s LYS 30 Ca 0.27 -2.76 -0.33 0.00 0.02 0.00 0.00 55.97 53.17 1jb0 s LYS 30 Cb 0.20 -3.48 -0.12 0.00 -0.52 0.00 0.00 37.83 33.91 1jb0 s LYS 30 CO 0.48 -1.16 1.82 -2.30 -0.92 0.00 0.00 175.35 173.27 1jb0 n PRO 31 N 2.98 2.39 -0.78 -1.68 -0.02 -1.26 -1.97 135.00 134.66 1jb0 n PRO 31 Ca 0.09 0.87 0.00 0.00 -2.02 0.00 0.00 63.50 62.44 1jb0 n PRO 31 Cb 0.34 -2.73 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 1jb0 n PRO 31 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1jb0 n GLY 32 N 4.17 0.57 0.38 -1.23 0.00 -1.26 -4.94 105.19 102.89 1jb0 n GLY 32 Ca 0.20 -0.35 0.20 0.00 0.00 0.00 0.00 46.02 46.07 1jb0 n GLY 32 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 1jb0 h HIS 33 N 0.00 0.00 0.00 1.61 2.07 -1.72 -2.68 115.15 114.44 1jb0 h HIS 33 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 1jb0 h HIS 33 Cb 0.00 0.00 0.00 0.00 2.57 0.00 0.00 27.41 29.98 1jb0 h HIS 33 CO 0.00 0.00 0.00 0.27 -3.07 0.00 0.00 177.93 175.13 1jb0 h PHE 34 N 0.00 0.00 -3.18 6.12 -5.15 -1.92 -3.43 116.94 109.38 1jb0 h PHE 34 Ca 0.23 0.00 -0.54 0.00 -0.20 0.00 0.00 57.97 57.45 1jb0 h PHE 34 Cb 1.00 0.00 -0.37 0.00 0.22 0.00 0.00 35.95 36.80 1jb0 h PHE 34 CO 0.00 0.00 -0.81 0.34 -2.00 0.00 0.00 178.31 175.84 1jb0 s ASP 35 N -5.27 2.33 0.55 -0.68 3.68 -1.01 -4.37 116.67 111.90 1jb0 s ASP 35 Ca 0.01 -0.37 0.30 0.00 2.13 0.00 0.00 52.55 54.63 1jb0 s ASP 35 Cb 0.09 -0.91 1.47 0.00 -1.45 0.00 0.00 42.92 42.13 1jb0 s ASP 35 CO 0.49 -0.12 1.90 0.03 0.13 0.00 0.00 175.17 177.60 1jb0 h ARG 36 N 8.15 0.00 0.00 4.34 3.08 -1.83 0.09 114.38 128.21 1jb0 h ARG 36 Ca -0.31 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.74 1jb0 h ARG 36 Cb 1.13 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.18 1jb0 h ARG 36 CO 0.43 0.00 0.00 0.25 -1.07 0.00 0.00 179.97 179.58 1jb0 n THR 37 N -4.17 0.96 -0.06 2.04 -2.24 -1.26 -1.80 114.28 107.75 1jb0 n THR 37 Ca 0.16 0.42 0.08 0.00 -2.27 0.00 0.00 64.05 62.44 1jb0 n THR 37 Cb 0.88 -1.36 0.19 0.00 -2.10 0.00 0.00 70.33 67.94 1jb0 n THR 37 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jb0 n LEU 38 N -2.17 3.16 -0.34 3.22 4.77 0.02 -4.70 117.00 120.97 1jb0 n LEU 38 Ca 0.01 -1.79 0.04 0.00 -0.03 0.00 0.00 56.01 54.24 1jb0 n LEU 38 Cb 0.15 -0.27 0.19 0.00 -2.33 0.00 0.00 43.42 41.16 1jb0 n LEU 38 CO 0.15 0.75 1.21 0.00 -1.33 0.00 0.00 177.39 178.18 1jb0 h ALA 39 N 3.04 1.36 -0.01 -1.18 0.00 -1.44 -2.43 119.26 118.60 1jb0 h ALA 39 Ca 0.00 0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.92 1jb0 h ALA 39 Cb 0.81 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jb0 h ALA 39 CO 0.00 0.25 0.00 0.54 0.00 0.00 0.00 179.25 180.04 1jb0 n ARG 40 N -4.63 1.05 -1.19 0.00 1.74 -1.26 -5.01 116.66 107.35 1jb0 n ARG 40 Ca 0.16 -0.05 0.16 0.00 -0.77 0.00 0.00 57.85 57.35 1jb0 n ARG 40 Cb 0.28 -1.23 -0.04 0.00 -1.02 0.00 0.00 32.46 30.45 1jb0 n ARG 40 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jb0 n GLY 41 N 0.30 -1.76 3.43 -0.13 0.00 -0.92 -4.56 105.19 101.56 1jb0 n GLY 41 Ca 0.00 -1.14 -0.30 0.00 0.00 0.00 0.00 46.02 44.59 1jb0 n GLY 41 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jb0 n PRO 42 N -3.83 0.02 0.18 1.61 -0.02 -1.26 -4.69 135.00 127.01 1jb0 n PRO 42 Ca 0.01 -0.99 0.07 0.00 -2.02 0.00 0.00 63.50 60.56 1jb0 n PRO 42 Cb 0.54 -2.58 0.12 0.00 -0.02 0.00 0.00 33.50 31.57 1jb0 n PRO 42 CO 0.00 0.00 0.00 1.96 1.98 0.00 0.00 175.50 179.44 1jb0 h GLN 43 N 9.97 0.00 -3.74 -0.52 4.20 -1.91 -3.41 115.11 119.70 1jb0 h GLN 43 Ca 0.15 0.00 -0.08 0.00 0.06 0.00 0.00 58.65 58.78 1jb0 h GLN 43 Cb 0.76 0.00 -0.12 0.00 0.30 0.00 0.00 27.48 28.42 1jb0 h GLN 43 CO 1.55 0.30 -0.24 0.95 -0.67 0.00 0.00 178.83 180.72 1jb0 s THR 44 N -3.12 0.06 0.44 -0.54 -4.23 -1.26 -3.03 115.64 103.96 1jb0 s THR 44 Ca 0.05 -1.23 0.11 0.00 -1.18 0.00 0.00 61.69 59.43 1jb0 s THR 44 Cb 0.07 -1.75 0.28 0.00 1.34 0.00 0.00 72.50 72.44 1jb0 s THR 44 CO 0.71 -0.28 2.07 0.71 -0.54 0.00 0.00 174.62 177.29 1jb0 h THR 45 N 2.48 1.04 -1.25 3.99 1.35 -1.23 -2.51 112.91 116.78 1jb0 h THR 45 Ca -0.31 -0.14 0.38 0.00 -0.55 0.00 0.00 66.41 65.79 1jb0 h THR 45 Cb 1.23 0.61 -0.11 0.00 -1.73 0.00 0.00 68.15 68.15 1jb0 h THR 45 CO 0.46 0.07 0.82 0.74 -0.25 0.00 0.00 175.52 177.36 1jb0 h THR 46 N 0.40 0.27 -0.91 6.82 2.02 -1.86 0.20 112.91 119.84 1jb0 h THR 46 Ca 0.14 -0.06 0.03 0.00 0.77 0.00 0.00 66.41 67.29 1jb0 h THR 46 Cb 0.07 0.08 -0.05 0.00 -1.74 0.00 0.00 68.15 66.51 1jb0 h THR 46 CO -0.03 0.03 0.59 -0.25 0.37 0.00 0.00 175.52 176.23 1jb0 h TRP 47 N 0.17 1.11 -0.50 3.16 7.01 -1.83 -1.62 115.95 123.46 1jb0 h TRP 47 Ca 0.73 0.03 -0.03 0.00 2.11 0.00 0.00 58.89 61.73 1jb0 h TRP 47 Cb 2.26 -0.37 -0.02 0.00 -2.10 0.00 0.00 29.16 28.92 1jb0 h TRP 47 CO -0.00 0.64 0.19 0.82 -2.79 0.00 0.00 178.44 177.30 1jb0 h ILE 48 N 1.15 1.22 -0.35 2.65 2.04 -0.78 -1.63 117.51 121.81 1jb0 h ILE 48 Ca 0.36 -0.68 -0.08 0.00 1.00 0.00 0.00 64.86 65.47 1jb0 h ILE 48 Cb -0.00 0.73 -0.01 0.00 -0.74 0.00 0.00 36.82 36.80 1jb0 h ILE 48 CO -0.12 0.25 -0.08 -0.50 0.00 0.00 0.00 178.15 177.71 1jb0 h TRP 49 N 0.66 0.75 -0.95 1.37 4.06 -1.53 -3.06 115.95 117.26 1jb0 h TRP 49 Ca 0.16 -0.16 0.04 0.00 2.06 0.00 0.00 58.89 61.00 1jb0 h TRP 49 Cb 0.21 -0.19 -0.06 0.00 -1.00 0.00 0.00 29.16 28.13 1jb0 h TRP 49 CO 0.01 0.83 0.62 -0.91 -3.56 0.00 0.00 178.44 175.42 1jb0 h ASN 50 N 0.46 1.01 -0.69 -3.49 -0.26 -1.14 -0.14 115.58 111.34 1jb0 h ASN 50 Ca 0.09 -0.01 0.15 0.00 -0.56 0.00 0.00 56.30 55.97 1jb0 h ASN 50 Cb 0.58 -0.23 -0.11 0.00 -1.06 0.00 0.00 38.32 37.51 1jb0 h ASN 50 CO 0.03 0.68 0.13 0.25 -1.06 0.00 0.00 177.43 177.46 1jb0 h LEU 51 N 1.17 -0.06 0.20 1.61 6.46 -1.19 0.22 115.31 123.71 1jb0 h LEU 51 Ca 0.39 0.14 -0.27 0.00 -0.12 0.00 0.00 57.88 58.02 1jb0 h LEU 51 Cb 0.06 0.21 0.03 0.00 -0.73 0.00 0.00 40.66 40.23 1jb0 h LEU 51 CO -0.13 -0.05 -1.16 0.45 -0.62 0.00 0.00 178.44 176.93 1jb0 h HIS 52 N 0.23 0.79 -0.47 1.25 3.86 -1.40 -2.76 115.15 116.65 1jb0 h HIS 52 Ca 0.38 -0.57 0.11 0.00 -1.16 0.00 0.00 60.37 59.13 1jb0 h HIS 52 Cb 0.63 -0.03 -0.02 0.00 1.06 0.00 0.00 27.41 29.04 1jb0 h HIS 52 CO -0.29 1.44 0.33 0.00 0.86 0.00 0.00 177.93 180.27 1jb0 h ALA 53 N 0.13 2.26 -0.00 2.45 0.00 -0.48 -2.35 119.26 121.27 1jb0 h ALA 53 Ca -0.20 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.70 1jb0 h ALA 53 Cb 1.91 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.70 1jb0 h ALA 53 CO 0.22 -0.38 -0.84 1.28 0.00 0.00 0.00 179.25 179.52 1jb0 n LEU 54 N -4.44 1.19 -0.39 0.00 4.77 0.71 -4.68 117.00 114.17 1jb0 n LEU 54 Ca 0.08 -0.52 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1jb0 n LEU 54 Cb 0.45 -0.02 0.02 0.00 -2.33 0.00 0.00 43.42 41.54 1jb0 n LEU 54 CO 0.35 0.27 0.57 0.00 -1.33 0.00 0.00 177.39 177.25 1jb0 h ALA 55 N 3.20 0.04 -0.66 -1.18 0.00 -1.11 -2.11 119.26 117.45 1jb0 h ALA 55 Ca 0.00 0.25 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1jb0 h ALA 55 Cb 0.56 1.07 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1jb0 h ALA 55 CO 0.00 -0.68 0.00 0.72 0.00 0.00 0.00 179.25 179.29 1jb0 n HIS 56 N -5.43 0.92 -2.17 0.00 8.25 -1.26 -4.68 115.22 110.84 1jb0 n HIS 56 Ca 0.09 -0.51 -0.42 0.00 -0.26 0.00 0.00 57.72 56.62 1jb0 n HIS 56 Cb 0.38 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.46 1jb0 n HIS 56 CO 0.00 0.00 0.00 -3.47 0.64 0.00 0.00 176.34 173.51 1jb0 n ASP 57 N 1.39 5.50 -0.32 0.41 -0.08 -0.79 -4.82 116.55 117.84 1jb0 n ASP 57 Ca 0.22 -3.06 0.33 0.00 -1.51 0.00 0.00 54.79 50.77 1jb0 n ASP 57 Cb 0.61 -1.49 0.71 0.00 2.34 0.00 0.00 41.12 43.29 1jb0 n ASP 57 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 1jb0 h PHE 58 N 5.57 0.11 -0.07 -0.67 0.05 -1.83 -1.01 116.94 119.09 1jb0 h PHE 58 Ca 0.48 0.00 0.02 0.00 3.82 0.00 0.00 57.97 62.29 1jb0 h PHE 58 Cb 0.57 -0.03 -0.00 0.00 2.00 0.00 0.00 35.95 38.48 1jb0 h PHE 58 CO 1.35 0.01 0.06 -0.44 -0.18 0.00 0.00 178.31 179.11 1jb0 h ASP 59 N 0.06 0.00 0.16 2.17 3.32 -1.88 -0.04 116.42 120.21 1jb0 h ASP 59 Ca 0.57 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.62 1jb0 h ASP 59 Cb 2.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.67 1jb0 h ASP 59 CO -0.06 0.00 -0.26 0.35 -1.72 0.00 0.00 179.24 177.55 1jb0 n THR 60 N -4.23 0.00 -0.01 0.35 -2.24 -0.38 -4.02 114.28 103.74 1jb0 n THR 60 Ca -0.01 -0.17 -0.20 0.00 -2.27 0.00 0.00 64.05 61.39 1jb0 n THR 60 Cb 0.17 0.58 -0.14 0.00 -2.10 0.00 0.00 70.33 68.84 1jb0 n THR 60 CO 0.00 0.00 0.00 0.45 -0.57 0.00 0.00 175.07 174.95 1jb0 h HIS 61 N 1.64 0.33 -4.02 4.78 3.86 -1.07 -3.43 115.15 117.24 1jb0 h HIS 61 Ca 0.00 -0.24 -0.13 0.00 -1.16 0.00 0.00 60.37 58.84 1jb0 h HIS 61 Cb 0.56 -0.01 -0.12 0.00 1.06 0.00 0.00 27.41 28.90 1jb0 h HIS 61 CO 0.00 1.41 -0.34 0.95 0.86 0.00 0.00 177.93 180.81 1jb0 s THR 62 N -2.41 0.02 -1.75 2.45 -4.23 -1.11 -4.86 115.64 103.75 1jb0 s THR 62 Ca -0.20 -1.60 0.15 0.00 -1.18 0.00 0.00 61.69 58.87 1jb0 s THR 62 Cb 0.03 -2.19 0.18 0.00 1.34 0.00 0.00 72.50 71.86 1jb0 s THR 62 CO 0.74 -0.10 1.05 -1.54 -0.54 0.00 0.00 174.62 174.24 1jb0 n SER 63 N -0.29 2.47 -4.50 3.99 3.41 -1.26 -4.57 113.62 112.87 1jb0 n SER 63 Ca -0.02 -1.71 -0.43 0.00 -0.26 0.00 0.00 58.87 56.46 1jb0 n SER 63 Cb 0.63 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.48 1jb0 n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1jb0 s ASP 64 N -1.20 6.24 0.52 4.04 2.15 -1.26 -4.91 116.67 122.25 1jb0 s ASP 64 Ca 0.20 -0.65 0.24 0.00 0.43 0.00 0.00 52.55 52.77 1jb0 s ASP 64 Cb 0.13 -2.45 1.36 0.00 -0.30 0.00 0.00 42.92 41.67 1jb0 s ASP 64 CO 0.19 -1.41 2.00 0.25 -0.17 0.00 0.00 175.17 176.04 1jb0 h LEU 65 N 11.43 0.03 -0.14 -1.34 5.85 -1.99 -1.87 115.31 127.28 1jb0 h LEU 65 Ca -0.28 0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.40 1jb0 h LEU 65 Cb 1.07 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 42.09 1jb0 h LEU 65 CO 1.16 0.02 -0.11 -0.08 -0.34 0.00 0.00 178.44 179.08 1jb0 h GLU 66 N 0.03 0.32 -0.42 1.25 4.81 -1.98 -1.54 114.58 117.05 1jb0 h GLU 66 Ca 0.24 -0.16 -0.01 0.00 -0.13 0.00 0.00 59.36 59.30 1jb0 h GLU 66 Cb 0.92 0.00 -0.02 0.00 0.63 0.00 0.00 28.75 30.28 1jb0 h GLU 66 CO -0.01 0.69 0.21 0.22 -0.73 0.00 0.00 179.01 179.39 1jb0 h ASP 67 N -0.05 0.54 -0.14 1.04 -0.00 -1.77 -1.13 116.42 114.91 1jb0 h ASP 67 Ca 0.02 -0.12 0.04 0.00 -0.00 0.00 0.00 57.03 56.97 1jb0 h ASP 67 Cb 0.62 -0.14 -0.04 0.00 -0.00 0.00 0.00 39.33 39.77 1jb0 h ASP 67 CO 0.03 0.50 -0.11 0.40 -0.00 0.00 0.00 179.24 180.07 1jb0 h ILE 68 N 0.53 0.68 -0.69 2.25 2.04 -1.36 0.13 117.51 121.10 1jb0 h ILE 68 Ca 0.14 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.04 1jb0 h ILE 68 Cb 0.10 0.68 -0.05 0.00 -0.74 0.00 0.00 36.82 36.82 1jb0 h ILE 68 CO -0.02 0.00 0.43 0.28 0.00 0.00 0.00 178.15 178.84 1jb0 h SER 69 N -0.12 0.69 -0.86 1.72 0.02 -1.07 0.04 113.55 113.97 1jb0 h SER 69 Ca 0.09 0.00 0.03 0.00 -0.84 0.00 0.00 61.79 61.07 1jb0 h SER 69 Cb 0.25 -0.14 -0.05 0.00 0.14 0.00 0.00 62.40 62.60 1jb0 h SER 69 CO -0.22 0.47 0.57 0.03 -1.14 0.00 0.00 176.83 176.54 1jb0 h ARG 70 N 0.82 1.06 -0.40 3.45 3.08 -0.39 -0.19 114.38 121.83 1jb0 h ARG 70 Ca 0.28 -0.06 -0.07 0.00 0.07 0.00 0.00 59.98 60.20 1jb0 h ARG 70 Cb 0.05 -0.24 -0.01 0.00 0.08 0.00 0.00 29.97 29.84 1jb0 h ARG 70 CO -0.12 0.70 -0.01 0.87 -1.07 0.00 0.00 179.97 180.34 1jb0 h LYS 71 N 1.10 0.71 0.25 0.04 1.57 0.47 -2.67 116.57 118.03 1jb0 h LYS 71 Ca 0.33 -0.23 -0.01 0.00 -1.87 0.00 0.00 60.65 58.87 1jb0 h LYS 71 Cb -0.02 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.23 1jb0 h LYS 71 CO -0.09 0.81 -0.12 0.82 -0.57 0.00 0.00 179.45 180.29 1jb0 h ILE 72 N 0.54 0.74 -0.51 1.86 2.04 -0.21 0.16 117.51 122.13 1jb0 h ILE 72 Ca 0.11 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.07 1jb0 h ILE 72 Cb 0.50 0.74 -0.08 0.00 -0.74 0.00 0.00 36.82 37.24 1jb0 h ILE 72 CO 0.02 0.00 0.02 0.15 0.00 0.00 0.00 178.15 178.34 1jb0 h PHE 73 N -0.34 -0.00 -0.49 1.37 3.57 -1.05 -0.17 116.94 119.83 1jb0 h PHE 73 Ca -0.03 0.04 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 1jb0 h PHE 73 Cb 0.27 0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.07 1jb0 h PHE 73 CO -0.07 -0.10 -0.17 0.77 -2.23 0.00 0.00 178.31 176.51 1jb0 h SER 74 N 0.13 0.98 -0.89 0.41 0.02 -1.32 -2.66 113.55 110.23 1jb0 h SER 74 Ca 0.26 -0.35 0.04 0.00 -0.84 0.00 0.00 61.79 60.90 1jb0 h SER 74 Cb 0.39 -0.27 -0.05 0.00 0.14 0.00 0.00 62.40 62.61 1jb0 h SER 74 CO -0.41 1.13 0.58 0.00 -1.14 0.00 0.00 176.83 176.99 1jb0 h ALA 75 N 0.95 1.46 -0.71 3.77 0.00 0.01 -0.88 119.26 123.85 1jb0 h ALA 75 Ca 0.12 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 1jb0 h ALA 75 Cb 0.74 -0.30 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 1jb0 h ALA 75 CO 0.06 0.45 0.39 0.45 0.00 0.00 0.00 179.25 180.60 1jb0 h HIS 76 N 1.09 0.97 -0.37 0.00 -0.00 -0.73 0.11 115.15 116.23 1jb0 h HIS 76 Ca 0.36 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.71 1jb0 h HIS 76 Cb 0.05 -0.31 -0.02 0.00 -0.00 0.00 0.00 27.41 27.13 1jb0 h HIS 76 CO -0.00 0.69 0.25 0.74 -0.00 0.00 0.00 177.93 179.60 1jb0 h PHE 77 N 0.98 0.47 -0.73 2.45 -1.00 -1.02 0.32 116.94 118.40 1jb0 h PHE 77 Ca 0.25 0.01 0.06 0.00 2.81 0.00 0.00 57.97 61.10 1jb0 h PHE 77 Cb 0.03 -0.16 -0.06 0.00 3.61 0.00 0.00 35.95 39.38 1jb0 h PHE 77 CO -0.00 0.30 0.43 0.78 -1.61 0.00 0.00 178.31 178.21 1jb0 h GLY 78 N 0.50 1.09 0.87 -1.45 0.00 -0.49 -0.60 103.07 103.00 1jb0 h GLY 78 Ca 0.14 -0.31 -0.03 0.00 0.00 0.00 0.00 47.33 47.13 1jb0 h GLY 78 CO -0.03 0.20 0.05 0.84 0.00 0.00 0.00 176.54 177.61 1jb0 h HIS 79 N 0.80 0.41 -0.93 5.60 -0.00 0.06 -2.35 115.15 118.75 1jb0 h HIS 79 Ca 0.32 -0.05 0.11 0.00 -0.00 0.00 0.00 60.37 60.75 1jb0 h HIS 79 Cb 0.17 -0.12 -0.08 0.00 -0.00 0.00 0.00 27.41 27.38 1jb0 h HIS 79 CO -0.06 0.50 0.56 -0.07 -0.00 0.00 0.00 177.93 178.86 1jb0 h LEU 80 N 0.21 0.81 -0.69 0.26 3.38 0.05 -1.99 115.31 117.33 1jb0 h LEU 80 Ca 0.07 0.05 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1jb0 h LEU 80 Cb 0.30 -0.11 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 1jb0 h LEU 80 CO 0.00 0.43 0.33 0.00 0.09 0.00 0.00 178.44 179.29 1jb0 h ALA 81 N 1.51 0.89 0.00 1.53 0.00 -0.71 -1.59 119.26 120.90 1jb0 h ALA 81 Ca 0.46 -0.15 -0.10 0.00 0.00 0.00 0.00 54.91 55.12 1jb0 h ALA 81 Cb 0.46 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 1jb0 h ALA 81 CO -0.27 0.46 -0.50 -0.39 0.00 0.00 0.00 179.25 178.56 1jb0 h VAL 82 N 0.97 1.35 -0.33 0.00 -1.51 -0.89 -0.79 116.25 115.04 1jb0 h VAL 82 Ca 0.24 -1.72 -0.04 0.00 -1.23 0.00 0.00 66.70 63.94 1jb0 h VAL 82 Cb 0.13 1.93 -0.01 0.00 -2.13 0.00 0.00 31.29 31.20 1jb0 h VAL 82 CO -0.03 0.49 0.03 0.58 -1.23 0.00 0.00 177.57 177.41 1jb0 h VAL 83 N 0.00 1.25 -0.27 7.19 2.07 -0.92 -1.34 116.25 124.23 1jb0 h VAL 83 Ca -0.00 -0.88 0.00 0.00 0.82 0.00 0.00 66.70 66.63 1jb0 h VAL 83 Cb 0.89 1.18 -0.01 0.00 -1.52 0.00 0.00 31.29 31.83 1jb0 h VAL 83 CO 0.06 0.29 0.18 -0.26 0.02 0.00 0.00 177.57 177.87 1jb0 h PHE 84 N 0.38 0.34 -0.77 1.57 0.05 -0.98 0.19 116.94 117.71 1jb0 h PHE 84 Ca 0.10 0.01 0.11 0.00 3.82 0.00 0.00 57.97 62.00 1jb0 h PHE 84 Cb 0.39 -0.12 -0.08 0.00 2.00 0.00 0.00 35.95 38.15 1jb0 h PHE 84 CO 0.03 0.22 0.40 0.82 -0.18 0.00 0.00 178.31 179.59 1jb0 h ILE 85 N 0.37 0.82 -0.36 -0.55 2.04 -0.92 0.24 117.51 119.16 1jb0 h ILE 85 Ca 0.10 -0.22 -0.04 0.00 1.00 0.00 0.00 64.86 65.70 1jb0 h ILE 85 Cb -0.04 0.12 -0.01 0.00 -0.74 0.00 0.00 36.82 36.15 1jb0 h ILE 85 CO -0.02 0.12 0.06 -0.25 0.00 0.00 0.00 178.15 178.05 1jb0 h TRP 86 N 0.64 0.64 -0.27 1.37 7.01 -0.58 -1.52 115.95 123.24 1jb0 h TRP 86 Ca 0.39 -0.09 -0.05 0.00 2.11 0.00 0.00 58.89 61.26 1jb0 h TRP 86 Cb 0.45 -0.17 -0.01 0.00 -2.10 0.00 0.00 29.16 27.33 1jb0 h TRP 86 CO -0.10 0.65 -0.02 1.25 -2.79 0.00 0.00 178.44 177.43 1jb0 h LEU 87 N 0.44 0.48 -1.13 0.65 5.85 0.15 -2.10 115.31 119.65 1jb0 h LEU 87 Ca 0.11 -0.33 -0.05 0.00 0.84 0.00 0.00 57.88 58.45 1jb0 h LEU 87 Cb 0.36 -0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.24 1jb0 h LEU 87 CO 0.01 0.69 0.03 0.77 -0.34 0.00 0.00 178.44 179.60 1jb0 h SER 88 N 0.26 0.61 0.35 1.25 4.64 -0.56 -0.97 113.55 119.12 1jb0 h SER 88 Ca 0.07 -0.12 -0.04 0.00 -0.47 0.00 0.00 61.79 61.23 1jb0 h SER 88 Cb 0.46 -0.16 -0.01 0.00 -0.31 0.00 0.00 62.40 62.38 1jb0 h SER 88 CO 0.02 0.66 -0.20 1.23 -0.87 0.00 0.00 176.83 177.67 1jb0 h GLY 89 N 0.89 0.00 1.25 -0.77 0.00 -1.00 0.17 103.07 103.62 1jb0 h GLY 89 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 47.33 47.22 1jb0 h GLY 89 CO 0.01 0.00 -0.89 -0.33 0.00 0.00 0.00 176.54 175.33 1jb0 h MET 90 N 0.00 0.70 -0.28 4.80 2.07 -0.51 -1.99 114.93 119.73 1jb0 h MET 90 Ca -0.00 -0.65 -0.19 0.00 -2.07 0.00 0.00 59.70 56.79 1jb0 h MET 90 Cb 0.43 0.16 0.00 0.00 -1.87 0.00 0.00 31.60 30.32 1jb0 h MET 90 CO 0.03 1.25 -0.55 1.88 1.07 0.00 0.00 176.91 180.58 1jb0 h TYR 91 N 0.45 1.07 -0.98 -0.22 -1.99 -0.94 -2.43 116.97 111.93 1jb0 h TYR 91 Ca -0.08 -0.38 0.01 0.00 2.00 0.00 0.00 58.73 60.27 1jb0 h TYR 91 Cb 1.52 -0.20 -0.05 0.00 2.00 0.00 0.00 36.73 40.01 1jb0 h TYR 91 CO 0.09 1.21 0.64 0.35 -0.00 0.00 0.00 178.16 180.44 1jb0 h PHE 92 N 0.65 1.24 -0.05 4.88 3.57 -0.65 -1.19 116.94 125.39 1jb0 h PHE 92 Ca 0.01 0.02 -0.11 0.00 3.53 0.00 0.00 57.97 61.42 1jb0 h PHE 92 Cb 1.16 -0.42 -0.01 0.00 2.79 0.00 0.00 35.95 39.47 1jb0 h PHE 92 CO 0.07 0.79 -0.48 0.45 -2.23 0.00 0.00 178.31 176.91 1jb0 h HIS 93 N 1.33 0.16 -0.14 0.41 3.86 -1.28 -0.43 115.15 119.06 1jb0 h HIS 93 Ca 0.36 -0.05 -0.10 0.00 -1.16 0.00 0.00 60.37 59.42 1jb0 h HIS 93 Cb -0.14 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 28.29 1jb0 h HIS 93 CO 0.00 0.59 -0.37 0.78 0.86 0.00 0.00 177.93 179.80 1jb0 h GLY 94 N 1.39 0.32 0.23 2.45 0.00 -0.85 -0.33 103.07 106.28 1jb0 h GLY 94 Ca 0.00 -0.29 -0.01 0.00 0.00 0.00 0.00 47.33 47.03 1jb0 h GLY 94 CO 0.07 0.26 -0.11 0.00 0.00 0.00 0.00 176.54 176.76 1jb0 h ALA 95 N 1.37 -0.36 0.00 3.60 0.00 -0.77 -3.32 119.26 119.78 1jb0 h ALA 95 Ca 0.03 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.82 1jb0 h ALA 95 Cb 0.77 0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 1jb0 h ALA 95 CO 0.06 -0.34 -0.36 0.87 0.00 0.00 0.00 179.25 179.48 1jb0 h LYS 96 N -0.90 0.00 -0.06 0.00 1.79 -1.17 -3.39 116.57 112.84 1jb0 h LYS 96 Ca -0.03 0.00 -0.15 0.00 -2.18 0.00 0.00 60.65 58.29 1jb0 h LYS 96 Cb 0.24 0.00 -0.28 0.00 -1.58 0.00 0.00 32.23 30.61 1jb0 h LYS 96 CO 0.05 0.20 -0.88 1.19 -1.08 0.00 0.00 179.45 178.93 1jb0 n PHE 97 N -3.09 0.21 -4.32 -1.35 3.01 -0.15 -5.07 117.46 106.70 1jb0 n PHE 97 Ca 0.02 -1.00 -0.18 0.00 1.01 0.00 0.00 57.45 57.30 1jb0 n PHE 97 Cb 0.62 -0.19 -0.10 0.00 -0.01 0.00 0.00 39.48 39.80 1jb0 n PHE 97 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 1jb0 s SER 98 N -2.58 2.42 -0.49 4.37 1.04 -1.12 -3.80 113.70 113.55 1jb0 s SER 98 Ca 0.35 -0.98 0.02 0.00 0.48 0.00 0.00 55.95 55.83 1jb0 s SER 98 Cb 0.38 -0.11 0.56 0.00 0.10 0.00 0.00 66.02 66.94 1jb0 s SER 98 CO -0.12 -0.17 1.92 -0.46 0.98 0.00 0.00 173.24 175.38 1jb0 n ASN 99 N -0.17 4.96 0.03 7.02 6.94 -0.89 -4.69 115.26 128.46 1jb0 n ASN 99 Ca -0.10 -3.56 -0.14 0.00 -0.02 0.00 0.00 54.58 50.76 1jb0 n ASN 99 Cb 0.60 -0.87 -0.08 0.00 -2.36 0.00 0.00 39.78 37.06 1jb0 n ASN 99 CO 0.00 0.00 0.00 0.22 -1.03 0.00 0.00 177.26 176.45 1jb0 h TYR 100 N 1.26 -1.36 -0.74 -2.53 3.20 -1.83 0.06 116.97 115.03 1jb0 h TYR 100 Ca 0.59 0.05 0.10 0.00 3.14 0.00 0.00 58.73 62.61 1jb0 h TYR 100 Cb 2.13 0.60 -0.07 0.00 1.54 0.00 0.00 36.73 40.92 1jb0 h TYR 100 CO 1.45 -0.52 0.37 0.93 -1.64 0.00 0.00 178.16 178.75 1jb0 h GLU 101 N -0.58 0.59 -0.19 1.82 5.08 -1.88 0.36 114.58 119.78 1jb0 h GLU 101 Ca 0.04 -0.04 -0.00 0.00 -1.00 0.00 0.00 59.36 58.37 1jb0 h GLU 101 Cb 0.67 -0.13 -0.01 0.00 0.50 0.00 0.00 28.75 29.78 1jb0 h GLU 101 CO -0.37 0.39 0.11 0.00 -1.00 0.00 0.00 179.01 178.14 1jb0 h ALA 102 N 1.45 0.24 -0.85 3.43 0.00 -1.84 -2.66 119.26 119.03 1jb0 h ALA 102 Ca 0.37 -0.05 0.07 0.00 0.00 0.00 0.00 54.91 55.29 1jb0 h ALA 102 Cb 0.41 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.06 1jb0 h ALA 102 CO -0.28 -0.23 0.53 2.35 0.00 0.00 0.00 179.25 181.61 1jb0 h TRP 103 N 0.21 0.97 -0.69 0.00 7.01 0.22 -1.69 115.95 121.97 1jb0 h TRP 103 Ca 0.07 0.03 0.20 0.00 2.11 0.00 0.00 58.89 61.29 1jb0 h TRP 103 Cb 0.06 -0.31 -0.03 0.00 -2.10 0.00 0.00 29.16 26.78 1jb0 h TRP 103 CO -0.04 0.48 0.49 -0.07 -2.79 0.00 0.00 178.44 176.51 1jb0 h LEU 104 N 0.95 0.02 0.00 0.65 3.38 0.02 -0.04 115.31 120.30 1jb0 h LEU 104 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1jb0 h LEU 104 Cb 0.20 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1jb0 h LEU 104 CO -0.18 0.01 -0.58 0.00 0.09 0.00 0.00 178.44 177.78 1jb0 n ALA 105 N -2.66 3.68 -2.91 1.53 0.00 -0.65 -4.49 120.51 115.01 1jb0 n ALA 105 Ca 0.14 -0.38 -0.13 0.00 0.00 0.00 0.00 53.44 53.06 1jb0 n ALA 105 Cb 0.75 -1.07 0.02 0.00 0.00 0.00 0.00 19.45 19.14 1jb0 n ALA 105 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 1jb0 n ASP 106 N -1.53 -1.62 -0.33 0.00 2.03 -0.15 -4.99 116.55 109.95 1jb0 n ASP 106 Ca 0.05 -3.19 0.05 0.00 0.52 0.00 0.00 54.79 52.22 1jb0 n ASP 106 Cb 0.34 0.96 0.24 0.00 -0.72 0.00 0.00 41.12 41.94 1jb0 n ASP 106 CO 0.00 0.00 0.00 -0.65 -1.92 0.00 0.00 177.20 174.63 1jb0 h PRO 107 N 3.71 1.00 0.00 -0.67 0.11 -1.44 -0.62 132.00 134.08 1jb0 h PRO 107 Ca -0.06 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.95 1jb0 h PRO 107 Cb 1.00 -0.22 -0.01 0.00 0.11 0.00 0.00 31.00 31.88 1jb0 h PRO 107 CO 0.34 0.66 -0.18 1.15 -0.21 0.00 0.00 178.00 179.77 1jb0 h THR 108 N 1.03 0.38 -0.00 -1.15 2.02 -1.94 -3.36 112.91 109.88 1jb0 h THR 108 Ca 0.43 -1.15 0.00 0.00 0.77 0.00 0.00 66.41 66.47 1jb0 h THR 108 Cb 0.31 1.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.59 1jb0 h THR 108 CO -0.19 0.17 -0.19 0.61 0.37 0.00 0.00 175.52 176.30 1jb0 n GLY 109 N 0.49 0.42 3.51 2.16 0.00 -0.73 -5.01 105.19 106.04 1jb0 n GLY 109 Ca 0.01 -0.13 -0.33 0.00 0.00 0.00 0.00 46.02 45.57 1jb0 n GLY 109 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jb0 s ILE 110 N -1.31 3.46 -0.14 -0.61 1.01 -0.32 -4.89 121.20 118.40 1jb0 s ILE 110 Ca 0.02 -0.56 -0.25 0.00 0.00 0.00 0.00 60.65 59.86 1jb0 s ILE 110 Cb 0.03 -2.42 -0.02 0.00 0.01 0.00 0.00 42.46 40.06 1jb0 s ILE 110 CO 0.17 0.57 0.81 -0.54 0.00 0.00 0.00 174.94 175.95 1jb0 s LYS 111 N -0.47 4.34 0.41 2.79 -0.14 -0.41 -4.85 119.74 121.41 1jb0 s LYS 111 Ca 0.07 1.00 -0.27 0.00 -1.36 0.00 0.00 55.97 55.41 1jb0 s LYS 111 Cb -0.12 -3.54 -0.10 0.00 -1.68 0.00 0.00 37.83 32.39 1jb0 s LYS 111 CO 0.02 -0.22 1.42 -2.30 -0.76 0.00 0.00 175.35 173.51 1jb0 n PRO 112 N 4.83 2.37 -3.64 -1.68 -0.02 -1.26 -4.82 135.00 130.77 1jb0 n PRO 112 Ca 0.03 0.84 -0.09 0.00 -2.02 0.00 0.00 63.50 62.26 1jb0 n PRO 112 Cb 0.49 -2.59 -0.07 0.00 -0.02 0.00 0.00 33.50 31.31 1jb0 n PRO 112 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1jb0 s SER 113 N -0.32 -0.84 0.00 2.55 0.15 -1.26 -2.13 113.70 111.84 1jb0 s SER 113 Ca 0.57 1.43 0.00 0.00 0.70 0.00 0.00 55.95 58.65 1jb0 s SER 113 Cb -0.48 1.35 0.00 0.00 -1.71 0.00 0.00 66.02 65.18 1jb0 s SER 113 CO 0.61 -0.24 0.00 0.00 1.20 0.00 0.00 173.24 174.81 1jb0 n ALA 114 N 3.80 0.00 -1.84 5.45 0.00 -1.26 -2.09 120.51 124.57 1jb0 n ALA 114 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.26 1jb0 n ALA 114 Cb 0.58 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.03 1jb0 n ALA 114 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.50 178.44 1jb0 n GLN 115 N 0.00 0.00 -5.12 0.00 7.27 -1.25 -4.13 117.38 114.16 1jb0 n GLN 115 Ca 0.00 0.00 -0.29 0.00 0.07 0.00 0.00 57.00 56.78 1jb0 n GLN 115 Cb 0.00 -0.47 -0.16 0.00 2.41 0.00 0.00 30.24 32.02 1jb0 n GLN 115 CO 0.00 0.00 0.00 0.08 0.07 0.00 0.00 177.06 177.21 1jb0 s VAL 116 N 0.00 1.81 -0.04 1.69 1.01 -1.26 -2.56 120.40 121.05 1jb0 s VAL 116 Ca 0.00 -0.96 -0.16 0.00 0.00 0.00 0.00 61.98 60.86 1jb0 s VAL 116 Cb 0.00 -1.52 -0.05 0.00 0.00 0.00 0.00 36.38 34.81 1jb0 s VAL 116 CO 0.00 0.51 0.43 -0.69 0.00 0.00 0.00 175.10 175.35 1jb0 s VAL 117 N -0.34 5.07 0.42 2.92 1.01 -1.26 -5.05 120.40 123.17 1jb0 s VAL 117 Ca 0.03 0.88 -0.24 0.00 0.00 0.00 0.00 61.98 62.65 1jb0 s VAL 117 Cb -0.11 -3.75 -0.08 0.00 0.00 0.00 0.00 36.38 32.45 1jb0 s VAL 117 CO 0.01 0.50 1.18 0.26 0.00 0.00 0.00 175.10 177.05 1jb0 s TRP 118 N -0.53 2.97 -0.87 5.22 0.51 -1.26 -4.85 118.94 120.13 1jb0 s TRP 118 Ca 0.24 1.53 -0.24 0.00 -2.12 0.00 0.00 56.10 55.51 1jb0 s TRP 118 Cb -0.16 -3.42 0.05 0.00 -0.81 0.00 0.00 33.47 29.13 1jb0 s TRP 118 CO 0.12 -1.48 1.31 -2.14 -0.51 0.00 0.00 176.95 174.25 1jb0 s PRO 119 N -2.43 3.40 0.07 4.98 0.02 -1.26 -4.23 135.00 135.55 1jb0 s PRO 119 Ca 0.59 -0.84 -0.17 0.00 0.02 0.00 0.00 61.00 60.61 1jb0 s PRO 119 Cb -0.31 -4.77 0.03 0.00 0.02 0.00 0.00 34.50 29.48 1jb0 s PRO 119 CO 0.38 -2.10 0.40 -1.50 -0.33 0.00 0.00 177.00 173.85 1jb0 s ILE 120 N 4.93 0.06 0.00 2.83 2.07 -1.26 -4.90 121.20 124.93 1jb0 s ILE 120 Ca 0.38 -0.51 0.00 0.00 -1.41 0.00 0.00 60.65 59.11 1jb0 s ILE 120 Cb -0.05 -1.03 0.00 0.00 0.13 0.00 0.00 42.46 41.51 1jb0 s ILE 120 CO 0.01 -0.28 0.00 1.33 -1.91 0.00 0.00 174.94 174.09 1jb0 n VAL 121 N 0.27 0.00 0.00 4.00 0.24 -1.26 -0.53 118.33 121.05 1jb0 n VAL 121 Ca -0.18 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.12 1jb0 n VAL 121 Cb 0.61 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.75 1jb0 n VAL 121 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jb0 n GLY 122 N -0.65 1.37 0.15 7.63 0.00 -1.26 -4.97 105.19 107.46 1jb0 n GLY 122 Ca 0.00 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.12 1jb0 n GLY 122 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLN 123 N -0.79 0.12 0.16 1.61 10.64 0.31 -2.05 117.38 127.40 1jb0 n GLN 123 Ca 0.00 0.62 0.16 0.00 -1.83 0.00 0.00 57.00 55.95 1jb0 n GLN 123 Cb 0.00 -1.96 0.74 0.00 -0.86 0.00 0.00 30.24 28.16 1jb0 n GLN 123 CO 0.00 0.00 0.00 0.78 -1.83 0.00 0.00 177.06 176.01 1jb0 h GLY 124 N 0.00 0.00 1.42 2.61 0.00 -1.73 0.12 103.07 105.48 1jb0 h GLY 124 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1jb0 h GLY 124 CO 0.00 0.00 0.28 1.19 0.00 0.00 0.00 176.54 178.01 1jb0 h ILE 125 N 0.00 0.00 0.00 2.60 2.10 -1.80 0.29 117.51 120.70 1jb0 h ILE 125 Ca 0.11 0.00 0.00 0.00 1.08 0.00 0.00 64.86 66.05 1jb0 h ILE 125 Cb 0.49 0.67 0.00 0.00 -1.09 0.00 0.00 36.82 36.89 1jb0 h ILE 125 CO -0.00 0.00 0.00 0.18 -1.08 0.00 0.00 178.15 177.25 1jb0 n LEU 126 N -2.83 0.58 -4.36 2.19 4.77 0.03 -3.85 117.00 113.53 1jb0 n LEU 126 Ca -0.02 0.63 -0.43 0.00 -0.03 0.00 0.00 56.01 56.16 1jb0 n LEU 126 Cb 0.33 -0.53 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 1jb0 n LEU 126 CO 0.13 -0.45 1.87 0.59 -1.33 0.00 0.00 177.39 178.20 1jb0 n ASN 127 N -2.13 4.92 -4.83 -1.43 3.02 0.09 -4.09 115.26 110.82 1jb0 n ASN 127 Ca 0.03 -2.95 -0.30 0.00 -0.03 0.00 0.00 54.58 51.33 1jb0 n ASN 127 Cb 0.25 -1.65 0.08 0.00 -0.61 0.00 0.00 39.78 37.85 1jb0 n ASN 127 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1jb0 s GLY 128 N 3.27 1.63 -0.64 7.41 0.00 -0.92 -4.17 107.32 113.90 1jb0 s GLY 128 Ca 0.48 -0.22 -0.28 0.00 0.00 0.00 0.00 44.72 44.70 1jb0 s GLY 128 CO 0.02 0.18 1.32 -0.35 0.00 0.00 0.00 173.10 174.27 1jb0 s ASP 129 N -4.01 6.19 0.00 1.64 2.15 -1.26 -1.89 116.67 119.49 1jb0 s ASP 129 Ca 0.60 -0.06 0.19 0.00 0.43 0.00 0.00 52.55 53.70 1jb0 s ASP 129 Cb -0.13 -2.55 0.63 0.00 -0.30 0.00 0.00 42.92 40.56 1jb0 s ASP 129 CO 0.54 -1.73 1.47 1.33 -0.17 0.00 0.00 175.17 176.61 1jb0 n VAL 130 N 6.63 0.29 0.00 1.11 0.24 -1.11 -5.02 118.33 120.48 1jb0 n VAL 130 Ca 0.08 -0.40 0.00 0.00 -2.04 0.00 0.00 64.34 61.98 1jb0 n VAL 130 Cb 0.49 0.36 0.00 0.00 -1.47 0.00 0.00 33.84 33.23 1jb0 n VAL 130 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1jb0 n GLY 131 N 1.14 0.88 2.30 7.63 0.00 -1.25 -1.29 105.19 114.60 1jb0 n GLY 131 Ca 0.15 -1.81 -0.14 0.00 0.00 0.00 0.00 46.02 44.22 1jb0 n GLY 131 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 132 N 0.97 -0.19 2.96 -0.02 0.00 -1.26 -2.32 105.19 105.34 1jb0 n GLY 132 Ca 0.00 -0.29 -0.02 0.00 0.00 0.00 0.00 46.02 45.71 1jb0 n GLY 132 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 133 N -1.05 0.20 3.89 -0.02 0.00 -1.26 -4.95 105.19 102.01 1jb0 n GLY 133 Ca -0.15 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1jb0 n GLY 133 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1jb0 s PHE 134 N -1.17 3.48 -0.06 1.61 5.36 -0.98 -5.06 117.98 121.16 1jb0 s PHE 134 Ca 0.00 0.65 0.02 0.00 -0.96 0.00 0.00 56.93 56.64 1jb0 s PHE 134 Cb 0.00 -2.08 0.02 0.00 -0.34 0.00 0.00 43.02 40.62 1jb0 s PHE 134 CO 0.00 0.42 -0.10 -1.01 -1.46 0.00 0.00 175.22 173.07 1jb0 s HIS 135 N -1.65 1.23 -0.03 10.12 3.76 -1.26 -2.74 115.29 124.72 1jb0 s HIS 135 Ca 0.41 -0.43 -0.11 0.00 -0.15 0.00 0.00 55.06 54.79 1jb0 s HIS 135 Cb -0.12 -0.94 0.03 0.00 1.11 0.00 0.00 32.58 32.67 1jb0 s HIS 135 CO 0.23 -0.24 0.47 0.41 -0.85 0.00 0.00 174.74 174.75 1jb0 n GLY 136 N 3.86 0.30 3.72 -2.22 0.00 -0.79 -4.85 105.19 105.20 1jb0 n GLY 136 Ca -0.24 -0.87 -0.39 0.00 0.00 0.00 0.00 46.02 44.51 1jb0 n GLY 136 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jb0 s ILE 137 N -2.01 5.06 -0.10 -0.61 1.01 -1.06 -2.16 121.20 121.33 1jb0 s ILE 137 Ca 0.11 1.39 -0.29 0.00 0.00 0.00 0.00 60.65 61.85 1jb0 s ILE 137 Cb -0.00 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1jb0 s ILE 137 CO -0.01 0.26 1.50 -1.58 0.00 0.00 0.00 174.94 175.11 1jb0 s GLN 138 N 0.79 4.18 0.32 2.79 0.74 -1.26 -4.03 119.66 123.20 1jb0 s GLN 138 Ca 0.36 1.96 -0.08 0.00 0.05 0.00 0.00 55.36 57.65 1jb0 s GLN 138 Cb -0.17 -3.90 -0.06 0.00 1.10 0.00 0.00 33.01 29.97 1jb0 s GLN 138 CO 0.17 -0.81 0.64 0.96 -0.55 0.00 0.00 175.29 175.69 1jb0 s ILE 139 N 3.89 4.91 -0.05 -2.34 -4.36 -0.91 -5.00 121.20 117.33 1jb0 s ILE 139 Ca 0.66 0.37 0.08 0.00 -0.26 0.00 0.00 60.65 61.51 1jb0 s ILE 139 Cb -0.28 -3.70 0.12 0.00 1.25 0.00 0.00 42.46 39.84 1jb0 s ILE 139 CO 0.24 -0.34 1.00 0.35 0.24 0.00 0.00 174.94 176.43 1jb0 n THR 140 N -0.89 0.98 0.72 8.37 -2.24 -1.26 -4.76 114.28 115.21 1jb0 n THR 140 Ca 0.00 -1.14 0.13 0.00 -2.27 0.00 0.00 64.05 60.78 1jb0 n THR 140 Cb 0.54 0.25 0.45 0.00 -2.10 0.00 0.00 70.33 69.46 1jb0 n THR 140 CO 0.00 0.00 0.00 -1.54 -0.57 0.00 0.00 175.07 172.96 1jb0 n SER 141 N -0.70 0.60 -0.14 3.42 3.41 -1.26 -4.41 113.62 114.55 1jb0 n SER 141 Ca 0.07 0.53 -0.02 0.00 -0.26 0.00 0.00 58.87 59.18 1jb0 n SER 141 Cb 0.57 -0.67 -0.01 0.00 -0.26 0.00 0.00 64.21 63.85 1jb0 n SER 141 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1jb0 n GLY 142 N 1.36 0.54 0.14 5.00 0.00 -1.26 -4.96 105.19 106.01 1jb0 n GLY 142 Ca 0.06 -0.64 -0.07 0.00 0.00 0.00 0.00 46.02 45.37 1jb0 n GLY 142 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jb0 h LEU 143 N 0.00 0.06 -0.20 0.99 3.38 -1.96 -2.26 115.31 115.32 1jb0 h LEU 143 Ca -0.04 0.04 0.05 0.00 0.09 0.00 0.00 57.88 58.03 1jb0 h LEU 143 Cb 0.16 0.04 -0.07 0.00 0.09 0.00 0.00 40.66 40.88 1jb0 h LEU 143 CO 0.05 0.07 -0.33 -0.26 0.09 0.00 0.00 178.44 178.07 1jb0 h PHE 144 N 0.21 -0.91 0.00 1.13 0.05 -1.99 0.34 116.94 115.76 1jb0 h PHE 144 Ca 0.14 0.04 -0.02 0.00 3.82 0.00 0.00 57.97 61.96 1jb0 h PHE 144 Cb 0.13 0.43 -0.00 0.00 2.00 0.00 0.00 35.95 38.51 1jb0 h PHE 144 CO -0.15 -0.40 -0.09 -0.56 -0.18 0.00 0.00 178.31 176.93 1jb0 h GLN 145 N -0.36 0.00 -0.02 1.51 -0.00 -1.78 0.92 115.11 115.36 1jb0 h GLN 145 Ca 0.11 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.74 1jb0 h GLN 145 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.03 1jb0 h GLN 145 CO -0.40 0.09 -0.07 1.25 -0.00 0.00 0.00 178.83 179.70 1jb0 h LEU 146 N 0.00 0.10 0.03 0.06 5.85 -0.49 -2.51 115.31 118.35 1jb0 h LEU 146 Ca -0.00 -0.61 0.02 0.00 0.84 0.00 0.00 57.88 58.13 1jb0 h LEU 146 Cb 0.21 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 41.16 1jb0 h LEU 146 CO 0.01 0.69 -0.52 -0.50 -0.34 0.00 0.00 178.44 177.79 1jb0 h TRP 147 N -0.49 -1.50 -1.01 1.25 -0.00 0.43 -1.83 115.95 112.81 1jb0 h TRP 147 Ca -0.00 0.05 0.17 0.00 -0.00 0.00 0.00 58.89 59.11 1jb0 h TRP 147 Cb 0.68 0.65 -0.10 0.00 -0.00 0.00 0.00 29.16 30.39 1jb0 h TRP 147 CO 0.13 -0.57 0.62 -0.09 -0.00 0.00 0.00 178.44 178.53 1jb0 h ARG 148 N -0.68 0.80 0.00 0.49 2.43 -0.91 0.22 114.38 116.73 1jb0 h ARG 148 Ca 0.01 -0.05 -0.07 0.00 -0.81 0.00 0.00 59.98 59.07 1jb0 h ARG 148 Cb 0.72 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 30.08 1jb0 h ARG 148 CO -0.34 0.53 -0.33 0.00 -1.51 0.00 0.00 179.97 178.32 1jb0 h ALA 149 N 1.62 1.37 -0.00 2.80 0.00 -0.94 -2.14 119.26 121.96 1jb0 h ALA 149 Ca 0.56 -0.30 0.00 0.00 0.00 0.00 0.00 54.91 55.17 1jb0 h ALA 149 Cb 0.80 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.53 1jb0 h ALA 149 CO -0.35 0.41 -0.05 0.43 0.00 0.00 0.00 179.25 179.69 1jb0 n SER 150 N -4.02 0.06 0.00 0.00 7.64 0.73 -4.65 113.62 113.37 1jb0 n SER 150 Ca -0.02 0.33 0.00 0.00 1.01 0.00 0.00 58.87 60.20 1jb0 n SER 150 Cb 0.38 -0.39 0.00 0.00 -1.01 0.00 0.00 64.21 63.19 1jb0 n SER 150 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jb0 n GLY 151 N 1.47 0.79 3.66 0.23 0.00 -0.80 -4.30 105.19 106.25 1jb0 n GLY 151 Ca 0.08 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 1jb0 n GLY 151 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jb0 s ILE 152 N -2.13 4.35 -0.25 -0.61 1.01 -1.04 -4.91 121.20 117.62 1jb0 s ILE 152 Ca 0.00 1.63 0.05 0.00 0.00 0.00 0.00 60.65 62.33 1jb0 s ILE 152 Cb 0.00 -4.05 -0.04 0.00 0.01 0.00 0.00 42.46 38.37 1jb0 s ILE 152 CO 0.00 -0.12 0.23 0.35 0.00 0.00 0.00 174.94 175.40 1jb0 n THR 153 N 5.23 0.00 -3.88 2.92 -2.24 -1.26 -4.34 114.28 110.71 1jb0 n THR 153 Ca 0.13 -0.40 -0.09 0.00 -2.27 0.00 0.00 64.05 61.42 1jb0 n THR 153 Cb 0.45 1.01 -0.08 0.00 -2.10 0.00 0.00 70.33 69.61 1jb0 n THR 153 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1jb0 s ASN 154 N -1.35 0.14 0.48 3.42 2.20 -1.26 -4.83 114.94 113.74 1jb0 s ASN 154 Ca 0.02 -0.60 0.27 0.00 -0.94 0.00 0.00 52.86 51.61 1jb0 s ASN 154 Cb 0.03 0.30 1.32 0.00 -2.00 0.00 0.00 41.25 40.91 1jb0 s ASN 154 CO 0.18 -0.65 1.84 -0.33 -2.94 0.00 0.00 177.10 175.19 1jb0 h GLU 155 N 3.05 0.17 -0.54 3.55 4.39 -1.92 -1.70 114.58 121.58 1jb0 h GLU 155 Ca -0.33 -0.01 -0.08 0.00 0.34 0.00 0.00 59.36 59.28 1jb0 h GLU 155 Cb 1.19 -0.04 -0.02 0.00 -0.10 0.00 0.00 28.75 29.78 1jb0 h GLU 155 CO 0.55 0.11 0.03 0.35 -1.16 0.00 0.00 179.01 178.89 1jb0 h PHE 156 N 0.18 1.01 -0.82 4.33 3.57 -1.96 -1.92 116.94 121.33 1jb0 h PHE 156 Ca 0.50 -0.17 -0.03 0.00 3.53 0.00 0.00 57.97 61.81 1jb0 h PHE 156 Cb 1.66 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 40.10 1jb0 h PHE 156 CO -0.00 0.92 0.39 1.96 -2.23 0.00 0.00 178.31 179.35 1jb0 h GLN 157 N 0.81 1.18 -0.29 1.11 4.20 -1.74 -1.17 115.11 119.22 1jb0 h GLN 157 Ca 0.16 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.66 1jb0 h GLN 157 Cb 0.50 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 28.05 1jb0 h GLN 157 CO 0.02 0.91 0.09 -0.07 -0.67 0.00 0.00 178.83 179.11 1jb0 h LEU 158 N 1.16 0.42 -1.31 1.46 3.38 -1.50 -1.91 115.31 117.00 1jb0 h LEU 158 Ca 0.28 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 58.06 1jb0 h LEU 158 Cb 0.12 -0.11 -0.04 0.00 0.09 0.00 0.00 40.66 40.73 1jb0 h LEU 158 CO -0.03 0.52 0.47 0.22 0.09 0.00 0.00 178.44 179.71 1jb0 h TYR 159 N 0.30 0.87 -0.27 1.13 3.20 -1.08 0.47 116.97 121.60 1jb0 h TYR 159 Ca 0.09 0.02 -0.15 0.00 3.14 0.00 0.00 58.73 61.83 1jb0 h TYR 159 Cb 0.25 -0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 1jb0 h TYR 159 CO 0.01 0.53 -0.44 0.00 -1.64 0.00 0.00 178.16 176.61 1jb0 h THR 161 N 0.54 1.27 -0.52 0.00 2.02 -0.69 -1.00 112.91 114.54 1jb0 h THR 161 Ca 0.04 -1.16 0.06 0.00 0.77 0.00 0.00 66.41 66.12 1jb0 h THR 161 Cb 0.99 1.21 -0.05 0.00 -1.74 0.00 0.00 68.15 68.55 1jb0 h THR 161 CO 0.09 0.39 0.22 0.00 0.37 0.00 0.00 175.52 176.59 1jb0 h ALA 162 N 0.85 0.66 -0.06 6.16 0.00 -0.77 0.12 119.26 126.22 1jb0 h ALA 162 Ca 0.10 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 1jb0 h ALA 162 Cb 0.60 -0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.38 1jb0 h ALA 162 CO 0.04 -0.16 0.01 0.82 0.00 0.00 0.00 179.25 179.96 1jb0 h ILE 163 N 0.43 1.20 -0.85 0.00 1.08 -1.16 -2.19 117.51 116.02 1jb0 h ILE 163 Ca 0.25 -0.61 0.14 0.00 -0.39 0.00 0.00 64.86 64.25 1jb0 h ILE 163 Cb 0.23 1.50 -0.06 0.00 -3.07 0.00 0.00 36.82 35.42 1jb0 h ILE 163 CO -0.22 0.17 0.55 1.23 -0.69 0.00 0.00 178.15 179.19 1jb0 h GLY 164 N -0.14 1.05 0.82 5.37 0.00 -0.68 -0.48 103.07 109.02 1jb0 h GLY 164 Ca 0.02 -0.27 -0.03 0.00 0.00 0.00 0.00 47.33 47.06 1jb0 h GLY 164 CO 0.00 0.09 0.02 -1.33 0.00 0.00 0.00 176.54 175.31 1jb0 h GLY 165 N 0.62 0.34 1.51 4.60 0.00 -0.45 -1.13 103.07 108.56 1jb0 h GLY 165 Ca 0.42 -0.24 -0.02 0.00 0.00 0.00 0.00 47.33 47.50 1jb0 h GLY 165 CO -0.18 0.22 0.22 1.41 0.00 0.00 0.00 176.54 178.21 1jb0 h LEU 166 N 0.09 0.58 0.53 3.11 3.38 -0.65 0.21 115.31 122.56 1jb0 h LEU 166 Ca 0.05 -0.05 -0.03 0.00 0.09 0.00 0.00 57.88 57.95 1jb0 h LEU 166 Cb 0.35 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 40.95 1jb0 h LEU 166 CO 0.01 0.50 -0.26 0.58 0.09 0.00 0.00 178.44 179.36 1jb0 h VAL 167 N 0.65 0.44 -0.97 1.22 2.07 -0.89 -1.61 116.25 117.17 1jb0 h VAL 167 Ca 0.16 -0.18 0.17 0.00 0.82 0.00 0.00 66.70 67.67 1jb0 h VAL 167 Cb 0.07 0.52 -0.09 0.00 -1.52 0.00 0.00 31.29 30.28 1jb0 h VAL 167 CO -0.02 0.03 0.61 0.24 0.02 0.00 0.00 177.57 178.45 1jb0 h MET 168 N -0.84 0.69 -0.03 1.57 2.86 -0.76 0.16 114.93 118.59 1jb0 h MET 168 Ca -0.07 -0.04 0.01 0.00 -2.06 0.00 0.00 59.70 57.54 1jb0 h MET 168 Cb 0.60 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 32.09 1jb0 h MET 168 CO 0.12 0.46 -0.04 0.00 1.06 0.00 0.00 176.91 178.51 1jb0 h ALA 169 N 1.61 -0.02 -0.38 6.32 0.00 -0.18 0.59 119.26 127.20 1jb0 h ALA 169 Ca 0.52 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.41 1jb0 h ALA 169 Cb 0.87 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1jb0 h ALA 169 CO -0.29 -0.53 0.08 0.78 0.00 0.00 0.00 179.25 179.30 1jb0 h GLY 170 N -0.06 0.66 0.69 0.00 0.00 -0.24 0.32 103.07 104.45 1jb0 h GLY 170 Ca 0.03 -0.43 0.06 0.00 0.00 0.00 0.00 47.33 46.99 1jb0 h GLY 170 CO -0.06 0.40 0.46 -2.00 0.00 0.00 0.00 176.54 175.34 1jb0 h LEU 171 N 0.47 0.71 -0.07 3.11 5.85 -0.44 0.51 115.31 125.46 1jb0 h LEU 171 Ca 0.12 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1jb0 h LEU 171 Cb 0.33 -0.12 -0.00 0.00 0.37 0.00 0.00 40.66 41.24 1jb0 h LEU 171 CO 0.00 0.45 0.02 -0.03 -0.34 0.00 0.00 178.44 178.54 1jb0 h MET 172 N 0.84 0.10 0.00 1.25 4.05 0.61 -2.20 114.93 119.59 1jb0 h MET 172 Ca 0.34 -0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.72 1jb0 h MET 172 Cb 0.19 -0.01 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 1jb0 h MET 172 CO -0.18 0.28 -0.10 1.25 0.23 0.00 0.00 176.91 178.39 1jb0 h LEU 173 N -0.09 0.00 -0.06 3.39 5.85 0.45 -2.66 115.31 122.19 1jb0 h LEU 173 Ca 0.02 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.70 1jb0 h LEU 173 Cb 0.22 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.25 1jb0 h LEU 173 CO -0.00 0.10 -0.13 0.15 -0.34 0.00 0.00 178.44 178.22 1jb0 h PHE 174 N 0.00 0.25 -0.60 1.25 3.57 0.44 -3.22 116.94 118.63 1jb0 h PHE 174 Ca -0.00 -0.09 0.07 0.00 3.53 0.00 0.00 57.97 61.48 1jb0 h PHE 174 Cb 0.21 -0.05 -0.04 0.00 2.79 0.00 0.00 35.95 38.87 1jb0 h PHE 174 CO 0.00 0.73 0.40 0.00 -2.23 0.00 0.00 178.31 177.20 1jb0 h ALA 175 N 0.47 1.86 0.88 2.41 0.00 -1.07 0.11 119.26 123.93 1jb0 h ALA 175 Ca 0.00 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 1jb0 h ALA 175 Cb 0.72 -0.13 0.01 0.00 0.00 0.00 0.00 17.79 18.38 1jb0 h ALA 175 CO 0.03 0.03 -0.42 0.78 0.00 0.00 0.00 179.25 179.66 1jb0 h GLY 176 N 0.54 -1.24 0.17 0.00 0.00 -1.54 0.43 103.07 101.44 1jb0 h GLY 176 Ca 0.26 0.46 0.06 0.00 0.00 0.00 0.00 47.33 48.11 1jb0 h GLY 176 CO -0.08 -0.45 -0.23 -0.25 0.00 0.00 0.00 176.54 175.54 1jb0 h TRP 177 N -1.23 -0.60 -0.59 5.60 7.01 -1.48 -2.31 115.95 122.36 1jb0 h TRP 177 Ca -0.12 0.04 0.08 0.00 2.11 0.00 0.00 58.89 61.00 1jb0 h TRP 177 Cb 0.91 0.30 -0.07 0.00 -2.10 0.00 0.00 29.16 28.21 1jb0 h TRP 177 CO -0.01 -0.30 0.24 0.35 -2.79 0.00 0.00 178.44 175.93 1jb0 h PHE 178 N -0.23 0.43 -0.05 2.65 3.57 -0.83 0.19 116.94 122.67 1jb0 h PHE 178 Ca 0.14 0.03 0.00 0.00 3.53 0.00 0.00 57.97 61.67 1jb0 h PHE 178 Cb 0.44 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.08 1jb0 h PHE 178 CO -0.38 0.14 0.00 0.72 -2.23 0.00 0.00 178.31 176.55 1jb0 n HIS 179 N -4.96 0.06 -0.06 0.41 8.25 0.15 -0.19 115.22 118.88 1jb0 n HIS 179 Ca 0.08 -0.03 -0.10 0.00 -0.26 0.00 0.00 57.72 57.40 1jb0 n HIS 179 Cb 0.24 0.00 -0.05 0.00 1.12 0.00 0.00 29.99 31.31 1jb0 n HIS 179 CO 0.00 0.00 0.00 0.98 0.64 0.00 0.00 176.34 177.96 1jb0 n TYR 180 N -0.41 0.00 -0.07 4.41 9.36 -0.81 -3.68 117.16 125.96 1jb0 n TYR 180 Ca 0.16 0.00 -0.22 0.00 3.32 0.00 0.00 57.90 61.16 1jb0 n TYR 180 Cb 0.17 -0.42 -0.12 0.00 -0.63 0.00 0.00 39.34 38.34 1jb0 n TYR 180 CO 0.00 0.00 0.00 0.72 0.22 0.00 0.00 176.86 177.80 1jb0 n HIS 181 N -3.23 1.06 -0.06 2.98 8.25 0.60 -4.24 115.22 120.59 1jb0 n HIS 181 Ca -0.21 0.36 -0.02 0.00 -0.26 0.00 0.00 57.72 57.59 1jb0 n HIS 181 Cb 0.68 -1.12 -0.01 0.00 1.12 0.00 0.00 29.99 30.67 1jb0 n HIS 181 CO 0.00 0.00 0.00 0.87 0.64 0.00 0.00 176.34 177.85 1jb0 h LYS 182 N -0.62 0.00 -2.87 -0.41 1.79 -1.38 -2.79 116.57 110.29 1jb0 h LYS 182 Ca -0.39 0.00 -0.61 0.00 -2.18 0.00 0.00 60.65 57.47 1jb0 h LYS 182 Cb 1.57 0.00 -0.40 0.00 -1.58 0.00 0.00 32.23 31.83 1jb0 h LYS 182 CO -0.12 0.01 -0.77 1.03 -1.08 0.00 0.00 179.45 178.53 1jb0 s ARG 183 N -1.79 1.25 -0.39 3.15 1.81 0.73 -0.05 118.95 123.66 1jb0 s ARG 183 Ca -0.05 -2.05 -0.22 0.00 -1.72 0.00 0.00 55.73 51.69 1jb0 s ARG 183 Cb 0.01 -2.18 0.01 0.00 -0.45 0.00 0.00 34.95 32.33 1jb0 s ARG 183 CO 0.08 -1.21 0.71 0.00 -0.68 0.00 0.00 175.30 174.20 1jb0 s ALA 184 N 0.25 3.40 0.62 2.13 0.00 -0.93 -4.39 121.76 122.85 1jb0 s ALA 184 Ca 0.20 -0.86 -0.18 0.00 0.00 0.00 0.00 51.96 51.12 1jb0 s ALA 184 Cb -0.19 -3.30 -0.06 0.00 0.00 0.00 0.00 23.12 19.57 1jb0 s ALA 184 CO -0.04 -1.55 0.70 -2.30 0.00 0.00 0.00 175.76 172.58 1jb0 n PRO 185 N 6.31 0.59 -3.00 0.00 -0.02 -1.26 -1.92 135.00 135.71 1jb0 n PRO 185 Ca 0.01 0.24 -0.33 0.00 -2.02 0.00 0.00 63.50 61.39 1jb0 n PRO 185 Cb 0.48 -1.91 -0.06 0.00 -0.02 0.00 0.00 33.50 31.99 1jb0 n PRO 185 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 1jb0 s LYS 186 N -2.51 4.14 0.35 -0.52 2.47 -0.57 -4.80 119.74 118.30 1jb0 s LYS 186 Ca 0.71 0.89 0.17 0.00 -1.56 0.00 0.00 55.97 56.18 1jb0 s LYS 186 Cb -0.41 -2.39 1.17 0.00 -1.46 0.00 0.00 37.83 34.74 1jb0 s LYS 186 CO 0.52 0.11 1.64 1.25 0.16 0.00 0.00 175.35 179.03 1jb0 h LEU 187 N 2.27 0.46 -1.14 5.43 5.85 -1.91 0.53 115.31 126.78 1jb0 h LEU 187 Ca -0.48 0.21 0.13 0.00 0.84 0.00 0.00 57.88 58.58 1jb0 h LEU 187 Cb 1.18 0.17 -0.08 0.00 0.37 0.00 0.00 40.66 42.30 1jb0 h LEU 187 CO 0.64 -0.21 0.60 -0.08 -0.34 0.00 0.00 178.44 179.05 1jb0 h GLU 188 N 0.23 0.82 0.19 1.25 4.81 -1.94 -2.57 114.58 117.36 1jb0 h GLU 188 Ca 0.77 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.96 1jb0 h GLU 188 Cb 1.86 -0.18 -0.03 0.00 0.63 0.00 0.00 28.75 31.03 1jb0 h GLU 188 CO -0.64 0.54 -0.25 2.35 -0.73 0.00 0.00 179.01 180.28 1jb0 h TRP 189 N 0.84 -0.68 -0.84 0.92 7.01 -0.23 -2.87 115.95 120.10 1jb0 h TRP 189 Ca 0.48 0.01 0.06 0.00 2.11 0.00 0.00 58.89 61.55 1jb0 h TRP 189 Cb 0.62 0.27 -0.05 0.00 -2.10 0.00 0.00 29.16 27.90 1jb0 h TRP 189 CO -0.00 -0.36 0.55 0.74 -2.79 0.00 0.00 178.44 176.57 1jb0 h PHE 190 N -0.50 0.95 0.00 2.65 -1.00 -1.51 -2.65 116.94 114.88 1jb0 h PHE 190 Ca 0.01 0.02 0.00 0.00 2.81 0.00 0.00 57.97 60.82 1jb0 h PHE 190 Cb 0.49 -0.31 0.00 0.00 3.61 0.00 0.00 35.95 39.74 1jb0 h PHE 190 CO -0.20 0.50 0.00 1.04 -1.61 0.00 0.00 178.31 178.04 1jb0 n GLN 191 N -4.48 0.52 -2.29 1.51 6.02 -1.08 -4.26 117.38 113.32 1jb0 n GLN 191 Ca 0.13 0.00 -0.42 0.00 -0.01 0.00 0.00 57.00 56.69 1jb0 n GLN 191 Cb 0.20 -1.09 0.00 0.00 1.02 0.00 0.00 30.24 30.38 1jb0 n GLN 191 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1jb0 n ASN 192 N -0.25 5.40 -0.16 1.08 3.02 -1.00 -4.78 115.26 118.56 1jb0 n ASN 192 Ca 0.00 -3.11 -0.09 0.00 -0.03 0.00 0.00 54.58 51.35 1jb0 n ASN 192 Cb 0.04 -1.47 0.00 0.00 -0.61 0.00 0.00 39.78 37.75 1jb0 n ASN 192 CO 0.00 0.00 0.00 -0.37 -2.62 0.00 0.00 177.26 174.27 1jb0 h VAL 193 N 3.61 1.22 -0.47 2.41 -1.51 -1.89 -0.75 116.25 118.87 1jb0 h VAL 193 Ca 0.43 -0.71 0.03 0.00 -1.23 0.00 0.00 66.70 65.21 1jb0 h VAL 193 Cb 0.59 0.80 -0.03 0.00 -2.13 0.00 0.00 31.29 30.52 1jb0 h VAL 193 CO 1.62 0.26 0.27 -0.33 -1.23 0.00 0.00 177.57 178.16 1jb0 h GLU 194 N 0.62 0.52 -0.41 5.19 3.07 -1.89 0.13 114.58 121.81 1jb0 h GLU 194 Ca 0.15 -0.03 -0.06 0.00 -0.50 0.00 0.00 59.36 58.93 1jb0 h GLU 194 Cb 0.24 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.02 1jb0 h GLU 194 CO -0.01 0.34 0.03 1.03 -1.40 0.00 0.00 179.01 179.00 1jb0 h SER 195 N 0.54 0.68 -0.92 1.42 0.87 -1.82 -1.20 113.55 113.11 1jb0 h SER 195 Ca 0.20 -0.29 0.02 0.00 -1.23 0.00 0.00 61.79 60.49 1jb0 h SER 195 Cb 0.05 -0.18 -0.05 0.00 -0.44 0.00 0.00 62.40 61.78 1jb0 h SER 195 CO -0.10 0.80 0.61 -0.03 -0.53 0.00 0.00 176.83 177.57 1jb0 h MET 196 N 0.54 1.18 -0.02 2.24 -1.53 -0.68 -1.24 114.93 115.42 1jb0 h MET 196 Ca 0.12 -0.07 -0.00 0.00 -3.44 0.00 0.00 59.70 56.30 1jb0 h MET 196 Cb 0.43 -0.27 -0.00 0.00 -0.55 0.00 0.00 31.60 31.22 1jb0 h MET 196 CO 0.02 0.78 -0.01 -0.07 0.14 0.00 0.00 176.91 177.77 1jb0 h LEU 197 N 1.21 0.04 -0.61 3.39 3.38 -0.60 0.08 115.31 122.20 1jb0 h LEU 197 Ca 0.35 -0.42 0.10 0.00 0.09 0.00 0.00 57.88 57.99 1jb0 h LEU 197 Cb -0.08 -0.01 -0.07 0.00 0.09 0.00 0.00 40.66 40.58 1jb0 h LEU 197 CO -0.09 0.45 0.21 0.78 0.09 0.00 0.00 178.44 179.88 1jb0 h ASN 198 N -0.38 0.20 -0.38 -0.43 2.35 -1.03 0.31 115.58 116.21 1jb0 h ASN 198 Ca 0.00 0.08 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 1jb0 h ASN 198 Cb 0.44 0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.87 1jb0 h ASN 198 CO 0.00 0.12 -0.08 0.45 -1.65 0.00 0.00 177.43 176.27 1jb0 h HIS 199 N 0.39 0.82 -0.13 1.19 3.86 -1.20 -1.72 115.15 118.35 1jb0 h HIS 199 Ca 0.31 -0.17 -0.15 0.00 -1.16 0.00 0.00 60.37 59.19 1jb0 h HIS 199 Cb 0.39 -0.20 -0.01 0.00 1.06 0.00 0.00 27.41 28.65 1jb0 h HIS 199 CO -0.18 0.86 -0.57 0.45 0.86 0.00 0.00 177.93 179.36 1jb0 h HIS 200 N 0.54 0.53 0.15 2.45 3.86 -0.53 0.52 115.15 122.66 1jb0 h HIS 200 Ca 0.10 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.11 1jb0 h HIS 200 Cb 0.59 -0.10 0.00 0.00 1.06 0.00 0.00 27.41 28.96 1jb0 h HIS 200 CO 0.05 0.89 -0.07 -0.07 0.86 0.00 0.00 177.93 179.58 1jb0 h LEU 201 N 0.32 -0.17 -0.25 2.43 3.38 -0.96 -0.06 115.31 120.00 1jb0 h LEU 201 Ca 0.00 0.01 -0.08 0.00 0.09 0.00 0.00 57.88 57.90 1jb0 h LEU 201 Cb 1.09 0.04 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 1jb0 h LEU 201 CO 0.10 0.01 -0.16 0.00 0.09 0.00 0.00 178.44 178.48 1jb0 h ALA 202 N -1.65 0.36 -2.27 1.53 0.00 -1.25 0.61 119.26 116.59 1jb0 h ALA 202 Ca -0.02 -0.33 0.00 0.00 0.00 0.00 0.00 54.91 54.56 1jb0 h ALA 202 Cb 0.15 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1jb0 h ALA 202 CO 0.03 0.25 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1jb0 n GLY 203 N 0.04 -0.21 0.31 0.00 0.00 0.17 -1.13 105.19 104.36 1jb0 n GLY 203 Ca -0.04 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.84 1jb0 n GLY 203 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1jb0 h LEU 204 N 0.00 -0.75 0.01 0.99 7.12 -1.12 -1.71 115.31 119.86 1jb0 h LEU 204 Ca 0.00 0.07 -0.00 0.00 0.13 0.00 0.00 57.88 58.08 1jb0 h LEU 204 Cb 0.00 0.26 0.00 0.00 -0.53 0.00 0.00 40.66 40.39 1jb0 h LEU 204 CO 0.00 -0.39 -0.00 -0.07 -0.13 0.00 0.00 178.44 177.84 1jb0 h LEU 205 N -0.57 -0.01 0.70 2.25 3.38 -0.93 -2.39 115.31 117.73 1jb0 h LEU 205 Ca -0.01 -0.78 -0.03 0.00 0.09 0.00 0.00 57.88 57.15 1jb0 h LEU 205 Cb 0.54 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.29 1jb0 h LEU 205 CO -0.07 0.85 -0.42 1.23 0.09 0.00 0.00 178.44 180.13 1jb0 h GLY 206 N -0.96 -1.14 1.98 0.83 0.00 0.43 -2.03 103.07 102.18 1jb0 h GLY 206 Ca -0.00 0.46 -0.06 0.00 0.00 0.00 0.00 47.33 47.73 1jb0 h GLY 206 CO 0.00 -0.40 -0.29 1.41 0.00 0.00 0.00 176.54 177.26 1jb0 h LEU 207 N -1.05 0.02 -0.35 3.11 3.38 -0.15 -1.72 115.31 118.54 1jb0 h LEU 207 Ca -0.09 -0.01 0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jb0 h LEU 207 Cb 0.84 -0.01 -0.02 0.00 0.09 0.00 0.00 40.66 41.56 1jb0 h LEU 207 CO 0.10 0.31 0.21 1.23 0.09 0.00 0.00 178.44 180.39 1jb0 h GLY 208 N 0.90 0.49 1.59 0.83 0.00 -1.19 -1.16 103.07 104.52 1jb0 h GLY 208 Ca 0.00 -0.16 -0.07 0.00 0.00 0.00 0.00 47.33 47.10 1jb0 h GLY 208 CO 0.04 0.14 -0.67 1.48 0.00 0.00 0.00 176.54 177.54 1jb0 h SER 209 N 0.43 0.00 0.02 0.19 4.64 -1.19 -2.54 113.55 115.11 1jb0 h SER 209 Ca 0.14 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jb0 h SER 209 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1jb0 h SER 209 CO -0.06 0.29 -0.01 0.25 -0.87 0.00 0.00 176.83 176.43 1jb0 h LEU 210 N 0.00 -0.02 -0.67 5.97 6.46 -1.09 -0.01 115.31 125.95 1jb0 h LEU 210 Ca -0.04 -0.09 -0.03 0.00 -0.12 0.00 0.00 57.88 57.61 1jb0 h LEU 210 Cb 1.25 0.01 -0.03 0.00 -0.73 0.00 0.00 40.66 41.16 1jb0 h LEU 210 CO 0.03 0.07 0.30 0.00 -0.62 0.00 0.00 178.44 178.22 1jb0 h ALA 211 N 0.86 0.86 -0.38 1.25 0.00 -1.27 -1.58 119.26 119.01 1jb0 h ALA 211 Ca -0.00 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.65 1jb0 h ALA 211 Cb 0.11 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1jb0 h ALA 211 CO 0.00 0.45 -0.19 2.35 0.00 0.00 0.00 179.25 181.86 1jb0 h TRP 212 N 0.93 0.80 -0.28 0.00 2.91 -1.26 -0.17 115.95 118.89 1jb0 h TRP 212 Ca 0.23 -0.17 -0.01 0.00 1.13 0.00 0.00 58.89 60.06 1jb0 h TRP 212 Cb 0.16 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 28.59 1jb0 h TRP 212 CO 0.01 0.86 0.11 0.00 -1.03 0.00 0.00 178.44 178.39 1jb0 h ALA 213 N 1.15 1.67 0.80 2.65 0.00 -0.70 0.18 119.26 125.01 1jb0 h ALA 213 Ca 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 54.89 1jb0 h ALA 213 Cb 0.68 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.36 1jb0 h ALA 213 CO 0.05 0.26 -0.38 0.78 0.00 0.00 0.00 179.25 179.96 1jb0 h GLY 214 N 0.53 -1.12 1.23 0.00 0.00 -0.07 0.72 103.07 104.36 1jb0 h GLY 214 Ca 0.10 0.41 0.07 0.00 0.00 0.00 0.00 47.33 47.91 1jb0 h GLY 214 CO -0.01 -0.41 0.36 0.84 0.00 0.00 0.00 176.54 177.32 1jb0 h HIS 215 N -1.14 0.47 0.47 5.60 -0.00 -0.55 -1.50 115.15 118.49 1jb0 h HIS 215 Ca -0.11 0.01 -0.02 0.00 -0.00 0.00 0.00 60.37 60.25 1jb0 h HIS 215 Cb 0.83 -0.15 0.00 0.00 -0.00 0.00 0.00 27.41 28.09 1jb0 h HIS 215 CO -0.01 0.25 -0.22 1.96 -0.00 0.00 0.00 177.93 179.91 1jb0 h GLN 216 N 0.47 -0.60 -0.64 5.26 4.20 -0.27 0.13 115.11 123.65 1jb0 h GLN 216 Ca 0.23 0.04 0.03 0.00 0.06 0.00 0.00 58.65 59.01 1jb0 h GLN 216 Cb 0.33 0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.21 1jb0 h GLN 216 CO -0.06 -0.31 0.40 0.82 -0.67 0.00 0.00 178.83 179.00 1jb0 h ILE 217 N -0.84 1.08 0.00 2.54 2.04 -0.61 0.27 117.51 121.99 1jb0 h ILE 217 Ca -0.06 -0.27 0.00 0.00 1.00 0.00 0.00 64.86 65.53 1jb0 h ILE 217 Cb 0.57 0.24 0.00 0.00 -0.74 0.00 0.00 36.82 36.88 1jb0 h ILE 217 CO 0.10 0.14 -0.52 1.41 0.00 0.00 0.00 178.15 179.28 1jb0 n HIS 218 N -4.70 0.55 0.00 1.37 8.25 -0.59 -4.44 115.22 115.65 1jb0 n HIS 218 Ca 0.06 0.16 0.00 0.00 -0.26 0.00 0.00 57.72 57.68 1jb0 n HIS 218 Cb 0.08 -0.66 0.00 0.00 1.12 0.00 0.00 29.99 30.53 1jb0 n HIS 218 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1jb0 n VAL 219 N -2.07 0.00 0.12 1.59 0.31 0.43 -4.84 118.33 113.87 1jb0 n VAL 219 Ca 0.04 0.00 -0.13 0.00 -0.01 0.00 0.00 64.34 64.23 1jb0 n VAL 219 Cb 0.43 -0.75 -0.08 0.00 -0.91 0.00 0.00 33.84 32.52 1jb0 n VAL 219 CO 0.00 0.00 0.00 0.28 -1.32 0.00 0.00 176.83 175.79 1jb0 h SER 220 N 0.00 -0.26 0.45 4.52 0.02 -0.70 -2.75 113.55 114.84 1jb0 h SER 220 Ca 0.00 -0.19 -0.01 0.00 -0.84 0.00 0.00 61.79 60.75 1jb0 h SER 220 Cb 0.28 0.07 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1jb0 h SER 220 CO 0.00 0.06 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.18 1jb0 h LEU 221 N -0.60 -1.39 0.08 5.07 -0.00 -0.78 -1.15 115.31 116.54 1jb0 h LEU 221 Ca -0.03 0.12 0.01 0.00 -0.00 0.00 0.00 57.88 57.97 1jb0 h LEU 221 Cb 0.43 0.47 -0.02 0.00 -0.00 0.00 0.00 40.66 41.54 1jb0 h LEU 221 CO 0.05 -0.65 -0.29 -0.65 -0.00 0.00 0.00 178.44 176.91 1jb0 h PRO 222 N -0.97 -0.41 -0.97 1.13 0.11 -1.78 0.20 132.00 129.32 1jb0 h PRO 222 Ca -0.06 0.03 0.15 0.00 0.11 0.00 0.00 66.00 66.23 1jb0 h PRO 222 Cb 0.85 0.09 -0.09 0.00 0.11 0.00 0.00 31.00 31.97 1jb0 h PRO 222 CO -0.09 -0.27 0.61 0.82 -0.21 0.00 0.00 178.00 178.86 1jb0 h ILE 223 N -0.42 0.83 -0.17 4.15 2.04 -1.55 -1.98 117.51 120.40 1jb0 h ILE 223 Ca -0.01 -0.28 -0.19 0.00 1.00 0.00 0.00 64.86 65.38 1jb0 h ILE 223 Cb 0.42 -0.06 0.00 0.00 -0.74 0.00 0.00 36.82 36.44 1jb0 h ILE 223 CO -0.15 0.15 -0.66 0.78 0.00 0.00 0.00 178.15 178.27 1jb0 h ASN 224 N 0.82 0.76 -0.93 1.72 4.21 -0.89 -1.67 115.58 119.61 1jb0 h ASN 224 Ca 0.50 -0.45 0.03 0.00 1.21 0.00 0.00 56.30 57.59 1jb0 h ASN 224 Cb 0.70 -0.22 -0.05 0.00 -1.12 0.00 0.00 38.32 37.62 1jb0 h ASN 224 CO -0.27 1.22 0.61 0.50 -1.29 0.00 0.00 177.43 178.20 1jb0 h LYS 225 N 0.48 1.15 -0.10 0.81 3.64 -0.21 0.32 116.57 122.65 1jb0 h LYS 225 Ca -0.02 -0.07 -0.06 0.00 -1.27 0.00 0.00 60.65 59.23 1jb0 h LYS 225 Cb 1.25 -0.26 0.00 0.00 -0.41 0.00 0.00 32.23 32.81 1jb0 h LYS 225 CO 0.13 0.76 -0.19 -0.07 -2.27 0.00 0.00 179.45 177.81 1jb0 h LEU 226 N 1.18 0.33 -0.81 5.20 3.38 -1.39 -0.79 115.31 122.41 1jb0 h LEU 226 Ca 0.37 -0.56 0.06 0.00 0.09 0.00 0.00 57.88 57.84 1jb0 h LEU 226 Cb -0.01 -0.10 -0.06 0.00 0.09 0.00 0.00 40.66 40.58 1jb0 h LEU 226 CO -0.11 0.83 0.49 -0.07 0.09 0.00 0.00 178.44 179.67 1jb0 h LEU 227 N -0.15 0.76 -0.12 1.67 3.38 -0.89 -0.07 115.31 119.90 1jb0 h LEU 227 Ca 0.00 0.02 0.00 0.00 0.09 0.00 0.00 57.88 58.00 1jb0 h LEU 227 Cb 0.77 -0.14 0.00 0.00 0.09 0.00 0.00 40.66 41.38 1jb0 h LEU 227 CO 0.04 0.48 0.00 0.47 0.09 0.00 0.00 178.44 179.53 1jb0 n ASP 228 N -4.67 0.41 0.11 -0.43 8.00 0.11 -2.24 116.55 117.84 1jb0 n ASP 228 Ca 0.11 0.56 0.11 0.00 0.71 0.00 0.00 54.79 56.28 1jb0 n ASP 228 Cb 0.18 -0.66 0.02 0.00 -0.02 0.00 0.00 41.12 40.64 1jb0 n ASP 228 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 h ALA 229 N 2.63 0.56 0.00 2.24 0.00 0.47 -3.48 119.26 121.68 1jb0 h ALA 229 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1jb0 h ALA 229 Cb 0.53 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jb0 h ALA 229 CO 0.00 0.05 0.00 0.41 0.00 0.00 0.00 179.25 179.71 1jb0 n GLY 230 N 1.18 1.22 0.24 0.00 0.00 -0.41 -5.04 105.19 102.37 1jb0 n GLY 230 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.00 1jb0 n GLY 230 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1jb0 h VAL 231 N 0.00 0.94 -0.32 1.61 2.07 -1.36 -3.49 116.25 115.70 1jb0 h VAL 231 Ca 0.00 -0.20 0.00 0.00 0.82 0.00 0.00 66.70 67.32 1jb0 h VAL 231 Cb 0.00 0.30 0.00 0.00 -1.52 0.00 0.00 31.29 30.07 1jb0 h VAL 231 CO 0.00 0.11 0.00 0.00 0.02 0.00 0.00 177.57 177.70 1jb0 n ALA 232 N -2.36 -1.71 -0.06 1.67 0.00 -1.26 -4.79 120.51 111.99 1jb0 n ALA 232 Ca 0.07 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.49 1jb0 n ALA 232 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 19.45 19.32 1jb0 n ALA 232 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jb0 n ALA 233 N 1.16 -0.09 -0.47 0.00 0.00 -1.26 -2.45 120.51 117.39 1jb0 n ALA 233 Ca 0.00 0.12 -0.26 0.00 0.00 0.00 0.00 53.44 53.31 1jb0 n ALA 233 Cb 0.00 0.35 -0.05 0.00 0.00 0.00 0.00 19.45 19.75 1jb0 n ALA 233 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1jb0 n LYS 234 N -3.25 0.57 0.00 0.00 4.76 -1.26 -0.62 118.16 118.36 1jb0 n LYS 234 Ca 0.00 -1.04 0.00 0.00 -2.87 0.00 0.00 58.31 54.41 1jb0 n LYS 234 Cb 0.04 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 30.84 1jb0 n LYS 234 CO 0.00 0.00 0.00 -3.47 -1.37 0.00 0.00 177.40 172.56 1jb0 n ASP 235 N 6.64 0.00 -4.72 4.39 -0.08 -1.02 -5.14 116.55 116.61 1jb0 n ASP 235 Ca 0.31 0.00 -0.35 0.00 -1.51 0.00 0.00 54.79 53.24 1jb0 n ASP 235 Cb 0.23 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.60 1jb0 n ASP 235 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1jb0 s ILE 236 N 0.00 4.99 0.12 5.18 1.01 0.21 -4.98 121.20 127.73 1jb0 s ILE 236 Ca 0.00 0.03 -0.36 0.00 0.00 0.00 0.00 60.65 60.32 1jb0 s ILE 236 Cb 0.00 -3.21 -0.16 0.00 0.01 0.00 0.00 42.46 39.10 1jb0 s ILE 236 CO 0.00 0.53 1.38 -2.65 0.00 0.00 0.00 174.94 174.19 1jb0 n PRO 237 N 2.86 1.40 -1.08 2.79 -0.02 -1.26 -4.90 135.00 134.78 1jb0 n PRO 237 Ca -0.18 0.50 -0.34 0.00 -2.02 0.00 0.00 63.50 61.47 1jb0 n PRO 237 Cb 0.53 -2.16 0.12 0.00 -0.02 0.00 0.00 33.50 31.97 1jb0 n PRO 237 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 1jb0 n LEU 238 N 2.65 3.04 -0.30 2.45 4.77 -1.26 -4.83 117.00 123.52 1jb0 n LEU 238 Ca 0.17 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.73 1jb0 n LEU 238 Cb 0.22 -1.41 0.11 0.00 -2.33 0.00 0.00 43.42 40.01 1jb0 n LEU 238 CO 0.62 -2.26 0.69 1.55 -1.33 0.00 0.00 177.39 176.67 1jb0 h PRO 239 N -0.91 -0.00 0.00 3.23 0.13 -1.93 -0.86 132.00 131.66 1jb0 h PRO 239 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 1jb0 h PRO 239 Cb 1.31 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.44 1jb0 h PRO 239 CO 0.43 -0.00 0.00 1.12 -0.23 0.00 0.00 178.00 179.32 1jb0 h HIS 240 N -0.00 0.00 -0.10 1.56 2.07 -1.92 -2.57 115.15 114.19 1jb0 h HIS 240 Ca 0.41 0.00 -0.05 0.00 -2.85 0.00 0.00 60.37 57.87 1jb0 h HIS 240 Cb 0.62 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.59 1jb0 h HIS 240 CO -0.67 0.00 -0.18 0.93 -3.07 0.00 0.00 177.93 174.94 1jb0 h GLU 241 N 0.00 0.16 0.00 5.12 4.39 -1.47 -0.41 114.58 122.36 1jb0 h GLU 241 Ca 0.00 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.66 1jb0 h GLU 241 Cb 0.11 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.74 1jb0 h GLU 241 CO 0.00 0.34 0.00 1.19 -1.16 0.00 0.00 179.01 179.38 1jb0 n PHE 242 N -4.25 0.00 -0.12 4.33 3.01 -0.97 -0.42 117.46 119.05 1jb0 n PHE 242 Ca -0.01 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.27 1jb0 n PHE 242 Cb 0.29 -0.38 -0.10 0.00 -0.01 0.00 0.00 39.48 39.27 1jb0 n PHE 242 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 1jb0 n ILE 243 N -1.38 1.33 -0.02 4.37 5.41 -0.59 -4.29 119.36 124.19 1jb0 n ILE 243 Ca 0.09 -0.48 -0.17 0.00 1.00 0.00 0.00 62.75 63.19 1jb0 n ILE 243 Cb 0.24 -1.39 -0.08 0.00 -0.71 0.00 0.00 39.64 37.70 1jb0 n ILE 243 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1jb0 h LEU 244 N -0.13 0.79 -6.86 1.39 3.38 -1.11 -3.37 115.31 109.41 1jb0 h LEU 244 Ca -0.53 -0.66 -0.71 0.00 0.09 0.00 0.00 57.88 56.07 1jb0 h LEU 244 Cb 1.76 -0.24 -0.35 0.00 0.09 0.00 0.00 40.66 41.93 1jb0 h LEU 244 CO -0.12 1.32 0.05 -3.20 0.09 0.00 0.00 178.44 176.59 1jb0 n ASN 245 N -4.06 4.82 0.31 -0.43 5.15 0.45 -4.89 115.26 116.60 1jb0 n ASN 245 Ca -0.08 -3.31 0.11 0.00 -0.60 0.00 0.00 54.58 50.69 1jb0 n ASN 245 Cb 0.70 -1.02 0.55 0.00 -0.53 0.00 0.00 39.78 39.48 1jb0 n ASN 245 CO 0.00 0.00 0.00 -0.65 1.40 0.00 0.00 177.26 178.01 1jb0 h PRO 246 N 5.29 0.00 -0.63 1.20 0.11 -1.75 0.62 132.00 136.84 1jb0 h PRO 246 Ca 0.19 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 66.21 1jb0 h PRO 246 Cb 0.70 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.79 1jb0 h PRO 246 CO 1.01 0.00 0.05 1.03 -0.21 0.00 0.00 178.00 179.88 1jb0 h SER 247 N 0.00 1.05 -0.75 -2.05 0.87 -1.90 -2.25 113.55 108.51 1jb0 h SER 247 Ca 0.02 -0.28 0.15 0.00 -1.23 0.00 0.00 61.79 60.45 1jb0 h SER 247 Cb 1.17 -0.28 -0.05 0.00 -0.44 0.00 0.00 62.40 62.81 1jb0 h SER 247 CO -0.00 1.07 0.50 0.25 -0.53 0.00 0.00 176.83 178.12 1jb0 h LEU 248 N 0.99 0.39 0.23 2.23 5.85 -0.06 -1.52 115.31 123.42 1jb0 h LEU 248 Ca 0.19 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.92 1jb0 h LEU 248 Cb 0.50 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 41.48 1jb0 h LEU 248 CO 0.02 0.20 -0.11 0.24 -0.34 0.00 0.00 178.44 178.45 1jb0 h MET 249 N 0.41 -0.30 -1.55 1.25 2.86 -1.56 -3.32 114.93 112.72 1jb0 h MET 249 Ca 0.37 0.02 0.48 0.00 -2.06 0.00 0.00 59.70 58.50 1jb0 h MET 249 Cb 0.84 0.07 -0.09 0.00 0.06 0.00 0.00 31.60 32.48 1jb0 h MET 249 CO -0.12 -0.04 1.08 0.00 1.06 0.00 0.00 176.91 178.89 1jb0 n ALA 250 N -2.68 1.50 0.24 6.32 0.00 -0.61 0.18 120.51 125.46 1jb0 n ALA 250 Ca -0.06 0.66 -0.17 0.00 0.00 0.00 0.00 53.44 53.87 1jb0 n ALA 250 Cb 0.20 -0.98 -0.09 0.00 0.00 0.00 0.00 19.45 18.58 1jb0 n ALA 250 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 1jb0 h GLU 251 N 0.00 -0.84 -6.69 0.00 3.07 -1.57 -3.18 114.58 105.38 1jb0 h GLU 251 Ca 0.81 0.06 -0.50 0.00 -0.50 0.00 0.00 59.36 59.23 1jb0 h GLU 251 Cb 3.03 0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 31.10 1jb0 h GLU 251 CO -0.17 -0.56 0.10 -0.51 -1.40 0.00 0.00 179.01 176.47 1jb0 s LEU 252 N -10.17 4.13 -1.12 1.33 1.43 0.13 -4.17 118.68 110.23 1jb0 s LEU 252 Ca -0.17 1.31 -0.08 0.00 -1.03 0.00 0.00 54.13 54.16 1jb0 s LEU 252 Cb 0.05 -3.96 -0.04 0.00 0.03 0.00 0.00 46.19 42.27 1jb0 s LEU 252 CO 0.62 -0.15 0.88 -1.22 0.23 0.00 0.00 176.35 176.70 1jb0 n TYR 253 N -0.11 -2.23 0.22 0.29 0.53 -1.26 -4.77 117.16 109.83 1jb0 n TYR 253 Ca 0.02 0.78 0.07 0.00 -1.02 0.00 0.00 57.90 57.76 1jb0 n TYR 253 Cb 0.53 -4.16 0.50 0.00 -1.03 0.00 0.00 39.34 35.18 1jb0 n TYR 253 CO 0.00 0.00 0.00 -1.00 -1.02 0.00 0.00 176.86 174.84 1jb0 h PRO 254 N -1.48 0.00 -0.11 -0.72 0.13 -1.71 -3.22 132.00 124.89 1jb0 h PRO 254 Ca -0.62 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.54 1jb0 h PRO 254 Cb 1.33 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.46 1jb0 h PRO 254 CO 0.47 0.26 0.44 0.87 -0.23 0.00 0.00 178.00 179.81 1jb0 h LYS 255 N 0.00 0.00 -6.34 0.86 1.57 -1.88 -3.42 116.57 107.37 1jb0 h LYS 255 Ca -0.00 0.00 -0.62 0.00 -1.87 0.00 0.00 60.65 58.16 1jb0 h LYS 255 Cb 0.58 0.00 -0.11 0.00 0.08 0.00 0.00 32.23 32.78 1jb0 h LYS 255 CO 0.03 0.00 -0.65 0.08 -0.57 0.00 0.00 179.45 178.34 1jb0 s VAL 256 N -4.20 3.87 0.05 0.50 1.01 -1.22 -4.92 120.40 115.49 1jb0 s VAL 256 Ca -0.03 -1.26 -0.26 0.00 0.00 0.00 0.00 61.98 60.43 1jb0 s VAL 256 Cb 0.09 -2.92 -0.17 0.00 0.00 0.00 0.00 36.38 33.39 1jb0 s VAL 256 CO 0.31 -0.04 1.56 -2.24 0.00 0.00 0.00 175.10 174.68 1jb0 h ASP 257 N 2.90 -0.20 -3.87 3.32 3.04 -1.90 -3.46 116.42 116.26 1jb0 h ASP 257 Ca -0.47 -0.10 0.00 0.00 -3.24 0.00 0.00 57.03 53.21 1jb0 h ASP 257 Cb 1.19 0.05 0.00 0.00 -1.04 0.00 0.00 39.33 39.53 1jb0 h ASP 257 CO 0.59 -0.02 -0.32 0.79 -2.04 0.00 0.00 179.24 178.24 1jb0 n TRP 258 N -5.13 -1.53 -3.54 4.15 5.03 -1.26 -4.81 117.44 110.35 1jb0 n TRP 258 Ca -0.09 0.66 -0.17 0.00 3.03 0.00 0.00 57.50 60.92 1jb0 n TRP 258 Cb 0.17 -2.52 -0.06 0.00 -1.03 0.00 0.00 31.31 27.86 1jb0 n TRP 258 CO 0.00 0.00 0.00 0.20 -0.03 0.00 0.00 177.69 177.86 1jb0 s GLY 259 N -1.02 -0.54 0.00 6.99 0.00 -1.26 -4.56 107.32 106.93 1jb0 s GLY 259 Ca 0.04 1.20 0.00 0.00 0.00 0.00 0.00 44.72 45.96 1jb0 s GLY 259 CO 0.31 0.86 0.08 0.69 0.00 0.00 0.00 173.10 175.04 1jb0 n PHE 260 N 0.92 0.00 0.00 1.90 3.01 -1.26 -1.58 117.46 120.45 1jb0 n PHE 260 Ca -0.19 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.27 1jb0 n PHE 260 Cb 0.57 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 40.04 1jb0 n PHE 260 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1jb0 n PHE 261 N -0.40 0.00 -3.38 1.38 7.35 -1.26 -5.28 117.46 115.87 1jb0 n PHE 261 Ca 0.00 0.00 -0.42 0.00 -0.76 0.00 0.00 57.45 56.27 1jb0 n PHE 261 Cb 0.00 0.00 -0.09 0.00 0.35 0.00 0.00 39.48 39.74 1jb0 n PHE 261 CO 0.00 0.00 0.00 0.45 -0.76 0.00 0.00 176.76 176.45 1jb0 s SER 262 N 0.00 6.16 0.00 -2.13 0.15 -0.62 -5.15 113.70 112.11 1jb0 s SER 262 Ca 0.00 -0.65 0.00 0.00 0.70 0.00 0.00 55.95 56.00 1jb0 s SER 262 Cb 0.00 -2.20 0.00 0.00 -1.71 0.00 0.00 66.02 62.11 1jb0 s SER 262 CO 0.00 -0.48 0.00 -2.65 1.20 0.00 0.00 173.24 171.31 1jb0 n PRO 266 N 5.41 0.00 -0.01 5.44 -0.02 -1.26 -4.78 135.00 139.79 1jb0 n PRO 266 Ca -0.09 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.26 1jb0 n PRO 266 Cb 0.48 0.00 -0.09 0.00 -0.02 0.00 0.00 33.50 33.87 1jb0 n PRO 266 CO 0.00 0.00 0.00 0.35 1.98 0.00 0.00 175.50 177.83 1jb0 h PHE 267 N 0.00 0.04 0.00 6.00 3.57 -1.95 0.21 116.94 124.80 1jb0 h PHE 267 Ca 0.00 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.49 1jb0 h PHE 267 Cb 0.00 -0.01 0.00 0.00 2.79 0.00 0.00 35.95 38.73 1jb0 h PHE 267 CO 0.00 0.40 0.00 1.19 -2.23 0.00 0.00 178.31 177.67 1jb0 n PHE 268 N -4.88 0.00 0.65 0.41 3.01 -1.26 -2.79 117.46 112.60 1jb0 n PHE 268 Ca -0.08 0.00 0.07 0.00 1.01 0.00 0.00 57.45 58.45 1jb0 n PHE 268 Cb 0.21 -0.49 -0.03 0.00 -0.01 0.00 0.00 39.48 39.15 1jb0 n PHE 268 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jb0 n THR 269 N -1.49 0.00 -1.00 4.37 -2.24 -1.14 -4.97 114.28 107.80 1jb0 n THR 269 Ca 0.04 -0.28 -0.00 0.00 -2.27 0.00 0.00 64.05 61.54 1jb0 n THR 269 Cb 0.20 1.11 -0.00 0.00 -2.10 0.00 0.00 70.33 69.54 1jb0 n THR 269 CO 0.00 0.00 0.00 0.49 -0.57 0.00 0.00 175.07 174.99 1jb0 n PHE 270 N -0.58 0.00 -1.56 4.78 0.99 -0.80 -4.92 117.46 115.38 1jb0 n PHE 270 Ca 0.05 0.00 -0.31 0.00 -0.00 0.00 0.00 57.45 57.19 1jb0 n PHE 270 Cb 0.28 -0.18 -0.05 0.00 -1.00 0.00 0.00 39.48 38.52 1jb0 n PHE 270 CO 0.00 0.00 0.00 -1.71 -0.00 0.00 0.00 176.76 175.05 1jb0 n ASN 271 N 0.56 7.21 0.30 4.37 5.15 0.66 -4.69 115.26 128.82 1jb0 n ASN 271 Ca -0.00 -2.96 0.16 0.00 -0.60 0.00 0.00 54.58 51.19 1jb0 n ASN 271 Cb 0.01 -1.36 0.95 0.00 -0.53 0.00 0.00 39.78 38.84 1jb0 n ASN 271 CO 0.00 0.00 0.00 -0.50 1.40 0.00 0.00 177.26 178.16 1jb0 h TRP 272 N 3.89 0.00 0.00 1.20 6.55 -1.92 -2.87 115.95 122.81 1jb0 h TRP 272 Ca 0.55 0.00 0.00 0.00 0.95 0.00 0.00 58.89 60.39 1jb0 h TRP 272 Cb 0.63 0.00 0.00 0.00 -0.86 0.00 0.00 29.16 28.93 1jb0 h TRP 272 CO 1.64 0.02 0.00 0.00 -1.05 0.00 0.00 178.44 179.05 1jb0 h ALA 273 N 1.98 1.00 -0.43 1.49 0.00 -1.94 -2.10 119.26 119.26 1jb0 h ALA 273 Ca -0.00 0.00 0.02 0.00 0.00 0.00 0.00 54.91 54.93 1jb0 h ALA 273 Cb 0.08 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 1jb0 h ALA 273 CO 0.00 0.00 0.28 0.00 0.00 0.00 0.00 179.25 179.54 1jb0 h ALA 274 N 2.00 1.76 -0.04 0.00 0.00 -1.86 -2.00 119.26 119.13 1jb0 h ALA 274 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1jb0 h ALA 274 Cb 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1jb0 h ALA 274 CO 0.00 0.20 0.00 0.66 0.00 0.00 0.00 179.25 180.11 1jb0 n TYR 275 N -4.48 0.05 0.00 0.00 0.53 -0.79 -4.28 117.16 108.19 1jb0 n TYR 275 Ca 0.04 -0.02 0.00 0.00 -1.02 0.00 0.00 57.90 56.90 1jb0 n TYR 275 Cb 0.11 0.00 0.00 0.00 -1.03 0.00 0.00 39.34 38.42 1jb0 n TYR 275 CO 0.00 0.00 0.00 -1.13 -1.02 0.00 0.00 176.86 174.71 1jb0 n SER 276 N -0.51 0.00 0.02 7.72 3.41 -0.75 -0.70 113.62 122.81 1jb0 n SER 276 Ca 0.17 0.00 -0.22 0.00 -0.26 0.00 0.00 58.87 58.56 1jb0 n SER 276 Cb 0.15 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.96 1jb0 n SER 276 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 1jb0 h ASP 277 N 0.00 0.44 -0.01 4.04 3.32 -1.85 -3.39 116.42 118.97 1jb0 h ASP 277 Ca 0.00 -0.90 0.00 0.00 0.02 0.00 0.00 57.03 56.15 1jb0 h ASP 277 Cb 0.00 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.41 1jb0 h ASP 277 CO 0.00 1.76 -0.28 2.22 -1.72 0.00 0.00 179.24 181.22 1jb0 n PHE 278 N -3.68 0.00 -3.91 4.55 1.16 -0.48 -4.73 117.46 110.37 1jb0 n PHE 278 Ca -0.28 0.00 -0.29 0.00 -1.87 0.00 0.00 57.45 55.00 1jb0 n PHE 278 Cb 1.00 0.00 -0.13 0.00 -1.61 0.00 0.00 39.48 38.74 1jb0 n PHE 278 CO 0.00 0.00 0.00 -0.51 -1.87 0.00 0.00 176.76 174.38 1jb0 s LEU 279 N -1.85 4.28 0.00 5.98 1.43 0.13 -4.59 118.68 124.06 1jb0 s LEU 279 Ca 0.11 -3.24 0.07 0.00 -1.03 0.00 0.00 54.13 50.03 1jb0 s LEU 279 Cb 0.11 -1.57 0.08 0.00 0.03 0.00 0.00 46.19 44.84 1jb0 s LEU 279 CO 0.34 -0.19 0.66 0.35 0.23 0.00 0.00 176.35 177.74 1jb0 n THR 280 N 2.79 0.00 -2.71 5.49 -2.24 -1.22 -4.38 114.28 112.01 1jb0 n THR 280 Ca 0.10 -1.52 -0.08 0.00 -2.27 0.00 0.00 64.05 60.29 1jb0 n THR 280 Cb 0.33 -0.65 0.11 0.00 -2.10 0.00 0.00 70.33 68.02 1jb0 n THR 280 CO 0.00 0.00 0.00 0.33 -0.57 0.00 0.00 175.07 174.83 1jb0 n PHE 281 N -2.07 -2.24 -0.02 4.78 -0.00 -1.26 -4.61 117.46 112.04 1jb0 n PHE 281 Ca 0.13 -2.04 -0.13 0.00 -0.00 0.00 0.00 57.45 55.41 1jb0 n PHE 281 Cb 0.48 1.44 -0.10 0.00 -0.00 0.00 0.00 39.48 41.30 1jb0 n PHE 281 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.76 175.85 1jb0 h ASN 282 N 2.24 -0.03 -4.84 -2.13 2.35 -1.94 -2.94 115.58 108.30 1jb0 h ASN 282 Ca -0.23 -0.61 -0.12 0.00 -0.55 0.00 0.00 56.30 54.78 1jb0 h ASN 282 Cb 1.26 0.01 0.09 0.00 0.05 0.00 0.00 38.32 39.73 1jb0 h ASN 282 CO 0.01 0.62 -0.40 0.61 -1.65 0.00 0.00 177.43 176.62 1jb0 n GLY 283 N 0.70 -0.80 0.00 2.83 0.00 -1.26 0.47 105.19 107.13 1jb0 n GLY 283 Ca -0.09 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.29 1jb0 n GLY 283 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 284 N -1.40 3.27 3.04 -0.02 0.00 -1.25 -2.61 105.19 106.22 1jb0 n GLY 284 Ca -0.03 -0.03 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 1jb0 n GLY 284 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1jb0 s LEU 285 N 0.00 2.00 -0.11 0.99 1.43 -1.26 -4.49 118.68 117.23 1jb0 s LEU 285 Ca 0.00 -0.18 -0.29 0.00 -1.03 0.00 0.00 54.13 52.63 1jb0 s LEU 285 Cb 0.00 -0.52 -0.05 0.00 0.03 0.00 0.00 46.19 45.64 1jb0 s LEU 285 CO 0.00 0.12 1.83 0.21 0.23 0.00 0.00 176.35 178.74 1jb0 s ASN 286 N -0.20 6.28 0.50 2.29 3.84 0.56 -4.86 114.94 123.35 1jb0 s ASN 286 Ca 0.03 2.09 0.30 0.00 0.21 0.00 0.00 52.86 55.49 1jb0 s ASN 286 Cb -0.04 -2.53 1.41 0.00 -0.55 0.00 0.00 41.25 39.54 1jb0 s ASN 286 CO -0.00 -1.27 1.81 -0.65 -2.79 0.00 0.00 177.10 174.20 1jb0 h PRO 287 N 11.26 0.11 0.12 0.43 0.11 -1.96 0.21 132.00 142.28 1jb0 h PRO 287 Ca -0.41 -0.01 -0.19 0.00 0.11 0.00 0.00 66.00 65.50 1jb0 h PRO 287 Cb 1.20 -0.03 0.01 0.00 0.11 0.00 0.00 31.00 32.29 1jb0 h PRO 287 CO 0.97 0.07 -0.91 0.28 -0.21 0.00 0.00 178.00 178.21 1jb0 h VAL 288 N 0.12 1.39 0.00 3.15 2.07 -1.91 -3.41 116.25 117.66 1jb0 h VAL 288 Ca 0.55 -2.47 -0.28 0.00 0.82 0.00 0.00 66.70 65.32 1jb0 h VAL 288 Cb 1.93 3.06 -0.05 0.00 -1.52 0.00 0.00 31.29 34.71 1jb0 h VAL 288 CO -0.09 0.69 -1.97 0.35 0.02 0.00 0.00 177.57 176.57 1jb0 n THR 289 N -4.13 1.31 -0.61 2.57 -2.24 -1.02 -4.90 114.28 105.26 1jb0 n THR 289 Ca -0.17 -0.78 0.00 0.00 -2.27 0.00 0.00 64.05 60.83 1jb0 n THR 289 Cb 0.80 -0.66 0.00 0.00 -2.10 0.00 0.00 70.33 68.38 1jb0 n THR 289 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 290 N 1.59 0.80 3.98 3.38 0.00 0.71 -1.59 105.19 114.06 1jb0 n GLY 290 Ca -0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.58 1jb0 n GLY 290 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1jb0 s GLY 291 N -1.61 2.02 0.44 -0.02 0.00 -1.26 -4.66 107.32 102.24 1jb0 s GLY 291 Ca 0.00 -1.73 -0.24 0.00 0.00 0.00 0.00 44.72 42.75 1jb0 s GLY 291 CO 0.00 -1.82 1.18 1.08 0.00 0.00 0.00 173.10 173.55 1jb0 s LEU 292 N -4.51 4.06 0.02 0.66 1.43 -0.07 -0.33 118.68 119.93 1jb0 s LEU 292 Ca 0.49 2.36 -0.30 0.00 -1.03 0.00 0.00 54.13 55.65 1jb0 s LEU 292 Cb -0.04 -4.16 -0.08 0.00 0.03 0.00 0.00 46.19 41.93 1jb0 s LEU 292 CO 0.31 -0.88 1.95 0.26 0.23 0.00 0.00 176.35 178.22 1jb0 s TRP 293 N -1.48 1.33 0.56 0.29 0.52 -1.26 -4.75 118.94 114.15 1jb0 s TRP 293 Ca 0.62 -0.36 0.25 0.00 0.02 0.00 0.00 56.10 56.63 1jb0 s TRP 293 Cb -0.30 -4.20 1.56 0.00 -1.15 0.00 0.00 33.47 29.38 1jb0 s TRP 293 CO 0.37 -5.35 2.16 -0.07 0.02 0.00 0.00 176.95 174.08 1jb0 h LEU 294 N 10.81 0.00 -1.22 2.99 3.38 -1.93 0.35 115.31 129.69 1jb0 h LEU 294 Ca -0.48 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.42 1jb0 h LEU 294 Cb 1.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.97 1jb0 h LEU 294 CO 0.94 0.00 -0.34 0.77 0.09 0.00 0.00 178.44 179.90 1jb0 h SER 295 N 0.00 0.00 -0.07 -0.43 4.64 -1.87 -1.61 113.55 114.20 1jb0 h SER 295 Ca 0.05 0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.34 1jb0 h SER 295 Cb 0.24 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.33 1jb0 h SER 295 CO -0.00 0.34 -0.09 0.44 -0.87 0.00 0.00 176.83 176.65 1jb0 h ASP 296 N 0.00 0.20 -0.63 4.97 3.32 -0.59 -2.21 116.42 121.49 1jb0 h ASP 296 Ca -0.00 -0.51 0.05 0.00 0.02 0.00 0.00 57.03 56.58 1jb0 h ASP 296 Cb 0.73 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 40.17 1jb0 h ASP 296 CO 0.04 0.67 0.36 0.71 -1.72 0.00 0.00 179.24 179.30 1jb0 h THR 297 N -0.26 1.00 -0.82 0.35 1.35 -1.06 0.25 112.91 113.72 1jb0 h THR 297 Ca 0.01 -0.23 -0.03 0.00 -0.55 0.00 0.00 66.41 65.61 1jb0 h THR 297 Cb 0.62 0.26 -0.04 0.00 -1.73 0.00 0.00 68.15 67.27 1jb0 h THR 297 CO 0.02 0.12 0.41 0.00 -0.25 0.00 0.00 175.52 175.82 1jb0 h ALA 298 N 1.31 1.06 -0.57 6.62 0.00 -1.30 0.61 119.26 126.98 1jb0 h ALA 298 Ca 0.27 -0.15 -0.09 0.00 0.00 0.00 0.00 54.91 54.94 1jb0 h ALA 298 Cb 0.12 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.56 1jb0 h ALA 298 CO -0.15 0.61 0.00 1.25 0.00 0.00 0.00 179.25 180.96 1jb0 h HIS 299 N 1.16 1.07 0.24 0.00 6.17 -0.74 -1.36 115.15 121.70 1jb0 h HIS 299 Ca 0.28 -0.17 -0.01 0.00 0.71 0.00 0.00 60.37 61.19 1jb0 h HIS 299 Cb 0.10 -0.28 -0.01 0.00 2.52 0.00 0.00 27.41 29.74 1jb0 h HIS 299 CO 0.01 0.95 -0.16 1.25 0.71 0.00 0.00 177.93 180.69 1jb0 h HIS 300 N 0.91 -0.42 0.00 5.26 6.17 0.63 -1.99 115.15 125.71 1jb0 h HIS 300 Ca 0.17 -0.00 -0.02 0.00 0.71 0.00 0.00 60.37 61.23 1jb0 h HIS 300 Cb 0.52 0.15 -0.00 0.00 2.52 0.00 0.00 27.41 30.61 1jb0 h HIS 300 CO 0.03 -0.25 -0.07 0.45 0.71 0.00 0.00 177.93 178.80 1jb0 h HIS 301 N -0.40 0.00 -0.02 5.26 3.86 0.53 -1.24 115.15 123.14 1jb0 h HIS 301 Ca -0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.17 1jb0 h HIS 301 Cb 0.34 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1jb0 h HIS 301 CO -0.10 0.07 -0.06 1.25 0.86 0.00 0.00 177.93 179.96 1jb0 h LEU 302 N 0.00 0.08 -0.75 2.43 5.85 -0.95 -1.93 115.31 120.04 1jb0 h LEU 302 Ca -0.00 -0.63 0.00 0.00 0.84 0.00 0.00 57.88 58.09 1jb0 h LEU 302 Cb 0.15 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.12 1jb0 h LEU 302 CO 0.01 0.70 0.48 0.00 -0.34 0.00 0.00 178.44 179.29 1jb0 h ALA 303 N 0.38 0.96 -0.11 1.25 0.00 -1.10 -1.48 119.26 119.16 1jb0 h ALA 303 Ca -0.00 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1jb0 h ALA 303 Cb 0.69 -0.30 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1jb0 h ALA 303 CO 0.01 0.39 -0.18 0.82 0.00 0.00 0.00 179.25 180.29 1jb0 h ILE 304 N 1.02 0.54 -0.41 0.00 1.08 -1.23 -1.23 117.51 117.28 1jb0 h ILE 304 Ca 0.27 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.82 1jb0 h ILE 304 Cb -0.09 0.54 -0.06 0.00 -3.07 0.00 0.00 36.82 34.13 1jb0 h ILE 304 CO -0.06 0.00 0.03 0.00 -0.69 0.00 0.00 178.15 177.43 1jb0 h ALA 305 N 0.77 0.40 -0.09 1.87 0.00 -0.86 -0.91 119.26 120.44 1jb0 h ALA 305 Ca 0.09 0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.14 1jb0 h ALA 305 Cb 0.37 0.17 -0.04 0.00 0.00 0.00 0.00 17.79 18.29 1jb0 h ALA 305 CO -0.25 -0.37 -0.15 0.28 0.00 0.00 0.00 179.25 178.76 1jb0 h VAL 306 N 0.14 0.60 -0.09 0.00 2.07 -0.73 -0.37 116.25 117.87 1jb0 h VAL 306 Ca 0.20 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.76 1jb0 h VAL 306 Cb 0.27 0.60 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 1jb0 h VAL 306 CO -0.31 0.00 -0.23 -0.07 0.02 0.00 0.00 177.57 176.99 1jb0 h LEU 307 N -0.21 -0.69 -0.61 2.57 3.38 -0.70 -1.83 115.31 117.23 1jb0 h LEU 307 Ca 0.08 0.11 0.00 0.00 0.09 0.00 0.00 57.88 58.16 1jb0 h LEU 307 Cb 0.32 0.30 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 1jb0 h LEU 307 CO -0.21 -0.28 0.39 -0.26 0.09 0.00 0.00 178.44 178.16 1jb0 h PHE 308 N -0.31 0.78 -0.27 1.13 -1.00 -0.88 0.17 116.94 116.57 1jb0 h PHE 308 Ca 0.09 0.01 0.02 0.00 2.81 0.00 0.00 57.97 60.90 1jb0 h PHE 308 Cb 0.44 -0.26 -0.02 0.00 3.61 0.00 0.00 35.95 39.71 1jb0 h PHE 308 CO -0.31 0.51 0.12 0.82 -1.61 0.00 0.00 178.31 177.83 1jb0 h ILE 309 N 0.82 0.97 -0.32 -0.55 1.08 -0.91 0.47 117.51 119.08 1jb0 h ILE 309 Ca 0.22 -0.09 0.05 0.00 -0.39 0.00 0.00 64.86 64.65 1jb0 h ILE 309 Cb -0.07 0.69 -0.04 0.00 -3.07 0.00 0.00 36.82 34.33 1jb0 h ILE 309 CO -0.05 0.05 0.06 0.40 -0.69 0.00 0.00 178.15 177.92 1jb0 h ILE 310 N 0.26 0.84 -0.80 -0.67 2.04 -0.92 -1.74 117.51 116.52 1jb0 h ILE 310 Ca 0.11 -0.06 0.00 0.00 1.00 0.00 0.00 64.86 65.92 1jb0 h ILE 310 Cb 0.05 0.65 -0.04 0.00 -0.74 0.00 0.00 36.82 36.74 1jb0 h ILE 310 CO -0.09 0.03 0.51 0.00 0.00 0.00 0.00 178.15 178.60 1jb0 h ALA 311 N 1.24 1.40 0.00 1.87 0.00 0.17 -1.93 119.26 122.02 1jb0 h ALA 311 Ca 0.15 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 311 Cb 0.17 -0.32 0.00 0.00 0.00 0.00 0.00 17.79 17.63 1jb0 h ALA 311 CO -0.20 0.54 0.00 0.41 0.00 0.00 0.00 179.25 180.00 1jb0 n GLY 312 N -1.37 -0.56 1.47 0.00 0.00 0.16 -2.13 105.19 102.75 1jb0 n GLY 312 Ca 0.09 -0.01 0.08 0.00 0.00 0.00 0.00 46.02 46.18 1jb0 n GLY 312 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jb0 n HIS 313 N -1.49 1.56 0.04 1.61 8.25 -0.72 -4.31 115.22 120.14 1jb0 n HIS 313 Ca 0.00 -0.75 -0.10 0.00 -0.26 0.00 0.00 57.72 56.61 1jb0 n HIS 313 Cb 0.02 -0.39 -0.13 0.00 1.12 0.00 0.00 29.99 30.61 1jb0 n HIS 313 CO 0.00 0.00 0.00 1.98 0.64 0.00 0.00 176.34 178.96 1jb0 h MET 314 N 3.20 0.08 -5.78 -0.41 4.05 -1.59 -3.45 114.93 111.03 1jb0 h MET 314 Ca 0.00 -0.13 -0.65 0.00 -0.28 0.00 0.00 59.70 58.64 1jb0 h MET 314 Cb 1.68 0.05 -0.06 0.00 -0.80 0.00 0.00 31.60 32.47 1jb0 h MET 314 CO 0.35 0.89 -0.41 0.71 0.23 0.00 0.00 176.91 178.68 1jb0 s TYR 315 N -2.65 3.62 0.05 1.39 1.51 -1.26 -0.04 117.35 119.97 1jb0 s TYR 315 Ca -0.04 0.62 -0.31 0.00 -1.01 0.00 0.00 57.07 56.34 1jb0 s TYR 315 Cb 0.08 -2.01 -0.07 0.00 -0.11 0.00 0.00 41.96 39.85 1jb0 s TYR 315 CO 0.83 0.69 1.50 0.50 -1.11 0.00 0.00 175.55 177.96 1jb0 s ARG 316 N -1.23 4.25 0.00 -0.62 3.52 -0.34 -4.58 118.95 119.95 1jb0 s ARG 316 Ca 0.20 2.13 0.00 0.00 -0.13 0.00 0.00 55.73 57.93 1jb0 s ARG 316 Cb -0.13 -3.51 0.00 0.00 -1.56 0.00 0.00 34.95 29.74 1jb0 s ARG 316 CO 0.09 -0.61 0.00 0.25 -0.81 0.00 0.00 175.30 174.22 1jb0 n THR 317 N 4.55 0.00 0.42 4.11 -2.24 -1.26 -4.75 114.28 115.11 1jb0 n THR 317 Ca 0.14 0.00 0.08 0.00 -2.27 0.00 0.00 64.05 62.00 1jb0 n THR 317 Cb 0.42 0.00 0.23 0.00 -2.10 0.00 0.00 70.33 68.88 1jb0 n THR 317 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1jb0 n ASN 318 N 0.00 2.69 -2.48 3.42 3.02 -1.26 -4.55 115.26 116.09 1jb0 n ASN 318 Ca 0.00 -1.99 -0.11 0.00 -0.03 0.00 0.00 54.58 52.45 1jb0 n ASN 318 Cb 0.00 -0.33 0.04 0.00 -0.61 0.00 0.00 39.78 38.88 1jb0 n ASN 318 CO 0.00 0.00 0.00 0.79 -2.62 0.00 0.00 177.26 175.43 1jb0 n TRP 319 N 0.97 1.94 0.00 3.10 8.01 -1.26 -5.04 117.44 125.17 1jb0 n TRP 319 Ca 0.17 -2.24 0.00 0.00 -1.31 0.00 0.00 57.50 54.12 1jb0 n TRP 319 Cb 0.43 -0.28 0.00 0.00 -2.01 0.00 0.00 31.31 29.45 1jb0 n TRP 319 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1jb0 n GLY 320 N -0.62 0.43 3.55 6.99 0.00 -1.26 -4.88 105.19 109.40 1jb0 n GLY 320 Ca 0.23 -0.01 -0.41 0.00 0.00 0.00 0.00 46.02 45.84 1jb0 n GLY 320 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1jb0 n ILE 321 N 0.00 2.37 0.00 -0.61 -5.35 -1.26 -4.83 119.36 109.68 1jb0 n ILE 321 Ca 0.00 -0.50 0.00 0.00 -0.27 0.00 0.00 62.75 61.98 1jb0 n ILE 321 Cb 0.00 -0.92 0.00 0.00 -1.74 0.00 0.00 39.64 36.98 1jb0 n ILE 321 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1jb0 n GLY 322 N 1.43 2.52 3.94 3.28 0.00 -1.26 -4.06 105.19 111.05 1jb0 n GLY 322 Ca 0.11 -2.02 -0.25 0.00 0.00 0.00 0.00 46.02 43.86 1jb0 n GLY 322 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1jb0 s HIS 323 N -2.53 3.48 -0.27 1.61 3.76 0.95 -4.20 115.29 118.09 1jb0 s HIS 323 Ca 0.00 0.29 -0.09 0.00 -0.15 0.00 0.00 55.06 55.12 1jb0 s HIS 323 Cb 0.00 -1.83 -0.03 0.00 1.11 0.00 0.00 32.58 31.83 1jb0 s HIS 323 CO 0.00 0.31 0.12 0.45 -0.85 0.00 0.00 174.74 174.77 1jb0 s SER 324 N -3.54 5.46 0.29 1.40 0.15 -1.26 -1.20 113.70 115.01 1jb0 s SER 324 Ca 0.38 -0.23 0.01 0.00 0.70 0.00 0.00 55.95 56.81 1jb0 s SER 324 Cb -0.10 -1.99 0.53 0.00 -1.71 0.00 0.00 66.02 62.74 1jb0 s SER 324 CO 0.31 -0.08 1.89 -0.07 1.20 0.00 0.00 173.24 176.49 1jb0 h LEU 325 N 8.30 0.92 -1.29 3.45 3.38 -1.98 -0.90 115.31 127.19 1jb0 h LEU 325 Ca -0.36 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 57.62 1jb0 h LEU 325 Cb 1.17 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1jb0 h LEU 325 CO 0.58 0.57 0.37 0.50 0.09 0.00 0.00 178.44 180.55 1jb0 h LYS 326 N 1.03 0.85 -0.15 1.13 3.64 -1.98 -1.08 116.57 120.02 1jb0 h LYS 326 Ca 0.42 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.64 1jb0 h LYS 326 Cb 0.27 -0.18 -0.00 0.00 -0.41 0.00 0.00 32.23 31.91 1jb0 h LYS 326 CO -0.17 0.61 -0.23 0.93 -2.27 0.00 0.00 179.45 178.31 1jb0 h GLU 327 N 0.87 0.42 0.25 1.90 5.08 -1.61 -1.76 114.58 119.72 1jb0 h GLU 327 Ca 0.23 -0.25 -0.01 0.00 -1.00 0.00 0.00 59.36 58.33 1jb0 h GLU 327 Cb -0.02 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1jb0 h GLU 327 CO -0.04 0.84 -0.13 0.82 -1.00 0.00 0.00 179.01 179.50 1jb0 h ILE 328 N 0.03 0.73 -0.10 3.13 2.04 -1.02 -1.57 117.51 120.75 1jb0 h ILE 328 Ca 0.01 0.00 0.04 0.00 1.00 0.00 0.00 64.86 65.92 1jb0 h ILE 328 Cb 0.80 0.73 -0.05 0.00 -0.74 0.00 0.00 36.82 37.56 1jb0 h ILE 328 CO 0.05 0.00 -0.24 -0.07 0.00 0.00 0.00 178.15 177.89 1jb0 h LEU 329 N -0.35 -0.73 -2.50 1.44 3.38 -1.25 -1.79 115.31 113.52 1jb0 h LEU 329 Ca -0.03 0.11 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1jb0 h LEU 329 Cb 0.28 0.32 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1jb0 h LEU 329 CO 0.04 -0.29 -0.02 -0.33 0.09 0.00 0.00 178.44 177.93 1jb0 h GLU 330 N -0.32 0.00 0.00 1.13 5.08 -1.20 -2.24 114.58 117.03 1jb0 h GLU 330 Ca 0.09 0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.39 1jb0 h GLU 330 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1jb0 h GLU 330 CO -0.28 0.02 -0.38 0.00 -1.00 0.00 0.00 179.01 177.37 1jb0 h ALA 331 N 1.98 0.79 -1.89 3.43 0.00 -0.39 -3.42 119.26 119.76 1jb0 h ALA 331 Ca -0.00 -0.27 -0.68 0.00 0.00 0.00 0.00 54.91 53.95 1jb0 h ALA 331 Cb 0.14 -0.03 -0.17 0.00 0.00 0.00 0.00 17.79 17.73 1jb0 h ALA 331 CO 0.00 0.36 0.76 -1.01 0.00 0.00 0.00 179.25 179.36 1jb0 s HIS 332 N -3.08 3.05 -0.12 0.00 3.76 -0.84 -4.95 115.29 113.12 1jb0 s HIS 332 Ca 0.05 -1.26 -0.16 0.00 -0.15 0.00 0.00 55.06 53.54 1jb0 s HIS 332 Cb 0.07 -4.27 0.04 0.00 1.11 0.00 0.00 32.58 29.53 1jb0 s HIS 332 CO 0.72 -1.50 0.41 -1.59 -0.85 0.00 0.00 174.74 171.93 1jb0 s LYS 333 N 2.87 0.57 0.27 1.40 -2.85 -1.26 -2.86 119.74 117.88 1jb0 s LYS 333 Ca 0.30 0.38 0.03 0.00 -1.00 0.00 0.00 55.97 55.68 1jb0 s LYS 333 Cb -0.07 0.27 -0.01 0.00 -2.06 0.00 0.00 37.83 35.96 1jb0 s LYS 333 CO -0.06 -0.11 0.10 0.41 0.10 0.00 0.00 175.35 175.79 1jb0 n GLY 334 N 2.35 3.54 0.07 0.59 0.00 -1.26 -4.96 105.19 105.51 1jb0 n GLY 334 Ca -0.16 -2.05 0.07 0.00 0.00 0.00 0.00 46.02 43.89 1jb0 n GLY 334 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1jb0 n PRO 335 N -0.61 0.08 -0.04 1.61 -0.02 -1.26 -2.23 135.00 132.52 1jb0 n PRO 335 Ca -0.04 0.43 0.03 0.00 -2.02 0.00 0.00 63.50 61.90 1jb0 n PRO 335 Cb 0.40 -1.69 -0.15 0.00 -0.02 0.00 0.00 33.50 32.04 1jb0 n PRO 335 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 1jb0 n PHE 336 N -1.84 0.00 -1.17 6.00 3.01 -1.26 -4.64 117.46 117.55 1jb0 n PHE 336 Ca 0.01 0.00 0.04 0.00 1.01 0.00 0.00 57.45 58.52 1jb0 n PHE 336 Cb 0.12 -0.63 0.22 0.00 -0.01 0.00 0.00 39.48 39.18 1jb0 n PHE 336 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1jb0 n THR 337 N -2.38 2.33 0.00 4.37 -2.24 -0.95 -5.07 114.28 110.34 1jb0 n THR 337 Ca -0.14 -2.25 0.00 0.00 -2.27 0.00 0.00 64.05 59.39 1jb0 n THR 337 Cb 0.74 -0.28 0.00 0.00 -2.10 0.00 0.00 70.33 68.70 1jb0 n THR 337 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 338 N -0.86 3.30 0.00 3.38 0.00 -1.19 -0.35 105.19 109.46 1jb0 n GLY 338 Ca 0.25 0.20 0.06 0.00 0.00 0.00 0.00 46.02 46.53 1jb0 n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jb0 n ALA 339 N 11.33 2.49 -0.76 4.61 0.00 0.14 -4.39 120.51 133.92 1jb0 n ALA 339 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.36 1jb0 n ALA 339 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1jb0 n ALA 339 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1jb0 n GLY 340 N 0.59 3.77 1.00 0.00 0.00 0.52 -2.43 105.19 108.64 1jb0 n GLY 340 Ca 0.09 0.15 0.08 0.00 0.00 0.00 0.00 46.02 46.34 1jb0 n GLY 340 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1jb0 n HIS 341 N 14.00 0.77 -1.75 1.61 8.25 -1.14 -0.36 115.22 136.61 1jb0 n HIS 341 Ca 0.00 -0.36 -0.41 0.00 -0.26 0.00 0.00 57.72 56.70 1jb0 n HIS 341 Cb 0.00 -0.05 0.01 0.00 1.12 0.00 0.00 29.99 31.07 1jb0 n HIS 341 CO 0.00 0.00 0.00 1.17 0.64 0.00 0.00 176.34 178.15 1jb0 n LYS 342 N 0.90 2.32 0.00 -0.41 4.81 -1.02 -2.14 118.16 122.61 1jb0 n LYS 342 Ca 0.17 0.82 0.00 0.00 -0.87 0.00 0.00 58.31 58.43 1jb0 n LYS 342 Cb 0.49 -2.58 0.00 0.00 0.02 0.00 0.00 35.03 32.96 1jb0 n LYS 342 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1jb0 n GLY 343 N 0.59 3.18 0.21 3.14 0.00 -1.26 -4.80 105.19 106.25 1jb0 n GLY 343 Ca 0.04 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.14 1jb0 n GLY 343 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1jb0 h LEU 344 N 0.00 0.00 -0.44 0.99 3.38 -1.72 -1.68 115.31 115.84 1jb0 h LEU 344 Ca 0.00 0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.93 1jb0 h LEU 344 Cb 0.00 0.00 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 1jb0 h LEU 344 CO 0.00 0.30 0.11 0.22 0.09 0.00 0.00 178.44 179.15 1jb0 h TYR 345 N 0.00 0.73 -0.12 1.13 3.20 -1.89 0.47 116.97 120.49 1jb0 h TYR 345 Ca -0.00 -0.09 -0.11 0.00 3.14 0.00 0.00 58.73 61.67 1jb0 h TYR 345 Cb 0.73 -0.21 -0.01 0.00 1.54 0.00 0.00 36.73 38.79 1jb0 h TYR 345 CO 0.00 0.68 -0.42 0.93 -1.64 0.00 0.00 178.16 177.71 1jb0 h GLU 346 N 0.57 0.28 0.18 1.82 3.07 -1.90 -1.68 114.58 116.92 1jb0 h GLU 346 Ca 0.14 -0.14 -0.01 0.00 -0.50 0.00 0.00 59.36 58.85 1jb0 h GLU 346 Cb 0.32 -0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.23 1jb0 h GLU 346 CO 0.00 0.66 -0.09 0.28 -1.40 0.00 0.00 179.01 178.47 1jb0 h VAL 347 N 0.23 0.93 0.00 3.13 2.07 -0.93 -2.40 116.25 119.29 1jb0 h VAL 347 Ca 0.02 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.83 1jb0 h VAL 347 Cb 0.85 1.35 0.00 0.00 -1.52 0.00 0.00 31.29 31.97 1jb0 h VAL 347 CO 0.07 0.16 0.00 0.18 0.02 0.00 0.00 177.57 178.00 1jb0 n LEU 348 N -5.04 0.00 -0.12 2.57 4.77 0.12 -1.71 117.00 117.59 1jb0 n LEU 348 Ca -0.09 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.92 1jb0 n LEU 348 Cb 0.23 0.00 -0.00 0.00 -2.33 0.00 0.00 43.42 41.32 1jb0 n LEU 348 CO 0.31 0.00 0.17 0.41 -1.33 0.00 0.00 177.39 176.95 1jb0 n THR 349 N -0.85 0.00 -0.27 -5.08 -1.04 -0.64 -4.68 114.28 101.72 1jb0 n THR 349 Ca 0.12 -0.44 0.00 0.00 -2.04 0.00 0.00 64.05 61.69 1jb0 n THR 349 Cb 0.06 1.06 0.00 0.00 -1.82 0.00 0.00 70.33 69.63 1jb0 n THR 349 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1jb0 n THR 350 N -0.39 0.00 -4.08 12.58 -2.24 -0.92 -4.90 114.28 114.34 1jb0 n THR 350 Ca 0.02 -0.14 -0.33 0.00 -2.27 0.00 0.00 64.05 61.34 1jb0 n THR 350 Cb 0.11 1.27 -0.15 0.00 -2.10 0.00 0.00 70.33 69.46 1jb0 n THR 350 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1jb0 s SER 351 N -0.17 4.00 0.16 3.42 0.15 -0.70 -4.98 113.70 115.58 1jb0 s SER 351 Ca 0.00 -1.11 -0.12 0.00 0.70 0.00 0.00 55.95 55.42 1jb0 s SER 351 Cb 0.00 -1.54 0.03 0.00 -1.71 0.00 0.00 66.02 62.80 1jb0 s SER 351 CO 0.00 -0.12 1.62 -0.50 1.20 0.00 0.00 173.24 175.43 1jb0 h TRP 352 N 7.84 0.98 -0.66 3.44 4.06 -1.94 -3.01 115.95 126.66 1jb0 h TRP 352 Ca -0.29 -0.16 0.00 0.00 2.06 0.00 0.00 58.89 60.50 1jb0 h TRP 352 Cb 1.08 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.95 1jb0 h TRP 352 CO 0.58 0.90 0.42 0.45 -3.56 0.00 0.00 178.44 177.23 1jb0 h HIS 353 N 0.78 0.84 -0.38 0.49 3.86 -1.94 0.20 115.15 119.00 1jb0 h HIS 353 Ca 0.15 0.01 -0.01 0.00 -1.16 0.00 0.00 60.37 59.37 1jb0 h HIS 353 Cb 0.49 -0.28 -0.02 0.00 1.06 0.00 0.00 27.41 28.66 1jb0 h HIS 353 CO 0.04 0.54 0.21 0.00 0.86 0.00 0.00 177.93 179.58 1jb0 h ALA 354 N 1.57 0.49 -0.27 2.45 0.00 -1.77 0.86 119.26 122.58 1jb0 h ALA 354 Ca 0.24 -0.08 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 1jb0 h ALA 354 Cb -0.08 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1jb0 h ALA 354 CO -0.05 0.01 0.05 1.96 0.00 0.00 0.00 179.25 181.22 1jb0 h GLN 355 N 0.49 0.45 -0.50 0.00 1.08 -1.28 -2.31 115.11 113.05 1jb0 h GLN 355 Ca 0.14 -0.12 -0.03 0.00 -1.45 0.00 0.00 58.65 57.19 1jb0 h GLN 355 Cb 0.05 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 1jb0 h GLN 355 CO -0.02 0.57 0.20 1.25 -0.95 0.00 0.00 178.83 179.88 1jb0 h LEU 356 N 0.27 0.64 0.50 1.46 5.85 -0.37 0.58 115.31 124.24 1jb0 h LEU 356 Ca 0.08 -0.07 -0.02 0.00 0.84 0.00 0.00 57.88 58.72 1jb0 h LEU 356 Cb 0.33 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.19 1jb0 h LEU 356 CO 0.01 0.58 -0.36 0.00 -0.34 0.00 0.00 178.44 178.32 1jb0 h ALA 357 N 1.52 -0.86 0.54 1.25 0.00 -0.52 0.35 119.26 121.54 1jb0 h ALA 357 Ca 0.17 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.90 1jb0 h ALA 357 Cb 0.13 0.47 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jb0 h ALA 357 CO -0.02 -1.00 -0.29 0.82 0.00 0.00 0.00 179.25 178.76 1jb0 h ILE 358 N -0.84 0.41 -0.52 0.00 2.04 -1.14 -1.42 117.51 116.04 1jb0 h ILE 358 Ca -0.05 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.81 1jb0 h ILE 358 Cb 0.70 0.41 -0.03 0.00 -0.74 0.00 0.00 36.82 37.16 1jb0 h ILE 358 CO 0.02 0.00 0.34 0.78 0.00 0.00 0.00 178.15 179.30 1jb0 h ASN 359 N -0.77 0.60 -0.26 1.72 -0.26 -0.81 -0.56 115.58 115.24 1jb0 h ASN 359 Ca -0.07 -0.02 -0.18 0.00 -0.56 0.00 0.00 56.30 55.48 1jb0 h ASN 359 Cb 0.61 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.72 1jb0 h ASN 359 CO 0.10 0.44 -0.52 0.25 -1.06 0.00 0.00 177.43 176.64 1jb0 h LEU 360 N 0.71 0.92 -0.62 1.61 5.85 -0.23 -0.64 115.31 122.92 1jb0 h LEU 360 Ca 0.19 -0.54 -0.01 0.00 0.84 0.00 0.00 57.88 58.37 1jb0 h LEU 360 Cb -0.07 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.66 1jb0 h LEU 360 CO -0.04 1.29 0.36 0.00 -0.34 0.00 0.00 178.44 179.71 1jb0 h ALA 361 N 0.66 0.79 -0.04 1.25 0.00 -0.39 -1.29 119.26 120.23 1jb0 h ALA 361 Ca 0.01 -0.08 -0.23 0.00 0.00 0.00 0.00 54.91 54.61 1jb0 h ALA 361 Cb 1.13 -0.25 0.01 0.00 0.00 0.00 0.00 17.79 18.68 1jb0 h ALA 361 CO 0.12 0.27 -0.91 0.52 0.00 0.00 0.00 179.25 179.25 1jb0 h MET 362 N 0.83 0.56 -0.57 0.00 2.86 -1.09 -2.31 114.93 115.21 1jb0 h MET 362 Ca 0.22 -0.55 -0.02 0.00 -2.06 0.00 0.00 59.70 57.29 1jb0 h MET 362 Cb -0.01 0.14 -0.03 0.00 0.06 0.00 0.00 31.60 31.77 1jb0 h MET 362 CO -0.04 1.18 0.27 0.52 1.06 0.00 0.00 176.91 179.90 1jb0 h MET 363 N 0.34 0.83 -0.44 1.72 2.07 -0.95 0.21 114.93 118.70 1jb0 h MET 363 Ca -0.08 -0.12 -0.05 0.00 -2.07 0.00 0.00 59.70 57.38 1jb0 h MET 363 Cb 1.54 -0.15 -0.02 0.00 -1.87 0.00 0.00 31.60 31.11 1jb0 h MET 363 CO 0.17 0.68 0.10 0.78 1.07 0.00 0.00 176.91 179.70 1jb0 h GLY 364 N 0.78 0.77 1.23 8.32 0.00 -1.28 -0.21 103.07 112.69 1jb0 h GLY 364 Ca 0.20 -0.49 -0.03 0.00 0.00 0.00 0.00 47.33 47.00 1jb0 h GLY 364 CO -0.02 0.46 0.28 1.76 0.00 0.00 0.00 176.54 179.01 1jb0 h SER 365 N 0.58 0.90 -0.15 0.19 0.02 -1.12 -2.03 113.55 111.94 1jb0 h SER 365 Ca 0.14 -0.12 -0.02 0.00 -0.84 0.00 0.00 61.79 60.95 1jb0 h SER 365 Cb 0.34 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.64 1jb0 h SER 365 CO 0.00 0.79 0.03 0.25 -1.14 0.00 0.00 176.83 176.77 1jb0 h LEU 366 N 0.97 0.23 -1.40 5.07 5.85 -0.28 -0.46 115.31 125.28 1jb0 h LEU 366 Ca 0.23 -0.24 0.10 0.00 0.84 0.00 0.00 57.88 58.81 1jb0 h LEU 366 Cb 0.17 -0.06 -0.05 0.00 0.37 0.00 0.00 40.66 41.08 1jb0 h LEU 366 CO -0.02 0.42 0.50 -1.28 -0.34 0.00 0.00 178.44 177.72 1jb0 h SER 367 N 0.04 0.59 -0.33 1.25 0.87 -0.65 0.26 113.55 115.59 1jb0 h SER 367 Ca 0.05 0.02 -0.12 0.00 -1.23 0.00 0.00 61.79 60.50 1jb0 h SER 367 Cb 0.28 -0.11 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 1jb0 h SER 367 CO 0.00 0.35 -0.27 0.40 -0.53 0.00 0.00 176.83 176.78 1jb0 h ILE 368 N 0.65 1.29 -0.38 2.23 2.04 -1.08 -1.78 117.51 120.48 1jb0 h ILE 368 Ca 0.36 -1.43 -0.05 0.00 1.00 0.00 0.00 64.86 64.74 1jb0 h ILE 368 Cb 0.51 1.48 -0.02 0.00 -0.74 0.00 0.00 36.82 38.05 1jb0 h ILE 368 CO -0.13 0.47 0.04 0.40 0.00 0.00 0.00 178.15 178.92 1jb0 h ILE 369 N 0.54 1.20 -0.35 -0.67 2.04 0.73 -1.53 117.51 119.47 1jb0 h ILE 369 Ca 0.06 -0.77 -0.11 0.00 1.00 0.00 0.00 64.86 65.04 1jb0 h ILE 369 Cb 0.84 0.87 -0.01 0.00 -0.74 0.00 0.00 36.82 37.78 1jb0 h ILE 369 CO 0.07 0.27 -0.23 0.58 0.00 0.00 0.00 178.15 178.84 1jb0 h VAL 370 N 0.57 1.27 -0.51 1.67 2.07 -0.42 -0.48 116.25 120.42 1jb0 h VAL 370 Ca 0.12 -1.33 -0.12 0.00 0.82 0.00 0.00 66.70 66.20 1jb0 h VAL 370 Cb 0.31 1.25 -0.02 0.00 -1.52 0.00 0.00 31.29 31.31 1jb0 h VAL 370 CO 0.01 0.44 -0.17 0.00 0.02 0.00 0.00 177.57 177.86 1jb0 h ALA 371 N 1.13 0.74 -0.12 1.67 0.00 -0.62 -1.65 119.26 120.42 1jb0 h ALA 371 Ca 0.09 -0.37 -0.18 0.00 0.00 0.00 0.00 54.91 54.44 1jb0 h ALA 371 Cb 0.72 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 1jb0 h ALA 371 CO 0.06 0.67 -0.67 1.96 0.00 0.00 0.00 179.25 181.26 1jb0 h GLN 372 N 0.87 0.48 0.13 0.00 1.08 -1.04 -3.29 115.11 113.34 1jb0 h GLN 372 Ca 0.12 -0.36 -0.29 0.00 -1.45 0.00 0.00 58.65 56.67 1jb0 h GLN 372 Cb 0.74 0.06 0.03 0.00 -0.05 0.00 0.00 27.48 28.26 1jb0 h GLN 372 CO 0.06 0.98 -1.23 0.45 -0.95 0.00 0.00 178.83 178.14 1jb0 h HIS 373 N 0.34 0.98 0.00 2.96 3.86 -1.05 -3.36 115.15 118.90 1jb0 h HIS 373 Ca -0.02 -0.63 -0.05 0.00 -1.16 0.00 0.00 60.37 58.51 1jb0 h HIS 373 Cb 1.24 -0.07 -0.01 0.00 1.06 0.00 0.00 27.41 29.63 1jb0 h HIS 373 CO 0.05 1.47 -0.24 0.52 0.86 0.00 0.00 177.93 180.59 1jb0 h MET 374 N 0.22 0.00 0.06 2.45 2.86 -1.40 -2.60 114.93 116.51 1jb0 h MET 374 Ca -0.19 0.00 -0.26 0.00 -2.06 0.00 0.00 59.70 57.19 1jb0 h MET 374 Cb 1.92 0.00 0.01 0.00 0.06 0.00 0.00 31.60 33.59 1jb0 h MET 374 CO 0.24 0.24 -1.09 0.10 1.06 0.00 0.00 176.91 177.45 1jb0 h TYR 375 N 0.00 0.77 -0.01 -0.22 -0.00 -1.70 -2.97 116.97 112.85 1jb0 h TYR 375 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 58.73 58.27 1jb0 h TYR 375 Cb 0.54 -0.07 0.00 0.00 0.00 0.00 0.00 36.73 37.20 1jb0 h TYR 375 CO 0.00 1.30 -0.23 0.00 -0.00 0.00 0.00 178.16 179.23 1jb0 n ALA 376 N -2.60 3.03 -3.10 0.10 0.00 -1.21 -4.17 120.51 112.56 1jb0 n ALA 376 Ca -0.10 -0.48 -0.18 0.00 0.00 0.00 0.00 53.44 52.68 1jb0 n ALA 376 Cb 0.92 -1.05 -0.02 0.00 0.00 0.00 0.00 19.45 19.29 1jb0 n ALA 376 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 1jb0 n MET 377 N -0.22 0.88 -1.37 0.00 2.81 -0.98 -4.39 117.12 113.84 1jb0 n MET 377 Ca 0.13 -3.02 -0.54 0.00 -1.81 0.00 0.00 57.70 52.46 1jb0 n MET 377 Cb 0.39 -1.45 -0.09 0.00 -0.71 0.00 0.00 33.22 31.36 1jb0 n MET 377 CO 0.00 0.00 0.00 -2.30 1.51 0.00 0.00 175.97 175.18 1jb0 n PRO 378 N 0.77 0.62 0.20 0.03 -0.02 -1.12 -4.65 135.00 130.83 1jb0 n PRO 378 Ca 0.20 0.16 0.14 0.00 -2.02 0.00 0.00 63.50 61.99 1jb0 n PRO 378 Cb 0.62 -2.07 0.44 0.00 -0.02 0.00 0.00 33.50 32.47 1jb0 n PRO 378 CO 0.00 0.00 0.00 -1.00 1.98 0.00 0.00 175.50 176.48 1jb0 h PRO 379 N 11.15 0.00 -6.17 0.52 0.14 -1.93 -0.17 132.00 135.56 1jb0 h PRO 379 Ca -0.20 0.00 -0.57 0.00 0.14 0.00 0.00 66.00 65.37 1jb0 h PRO 379 Cb 1.36 0.00 -0.10 0.00 0.14 0.00 0.00 31.00 32.40 1jb0 h PRO 379 CO 1.06 0.00 -0.65 0.71 0.14 0.00 0.00 178.00 179.26 1jb0 s TYR 380 N -3.36 2.61 0.12 1.56 1.51 -1.26 -4.29 117.35 114.25 1jb0 s TYR 380 Ca 0.05 -0.29 -0.30 0.00 -1.01 0.00 0.00 57.07 55.52 1jb0 s TYR 380 Cb 0.08 -1.25 -0.07 0.00 -0.11 0.00 0.00 41.96 40.62 1jb0 s TYR 380 CO 0.56 0.59 1.17 -2.14 -1.11 0.00 0.00 175.55 174.62 1jb0 s PRO 381 N -3.67 4.49 -1.73 -1.71 0.02 -1.26 -3.42 135.00 127.73 1jb0 s PRO 381 Ca 0.32 1.78 0.00 0.00 0.02 0.00 0.00 61.00 63.12 1jb0 s PRO 381 Cb -0.05 -3.30 0.00 0.00 0.02 0.00 0.00 34.50 31.17 1jb0 s PRO 381 CO 0.19 -0.12 0.00 0.66 -0.33 0.00 0.00 177.00 177.40 1jb0 n TYR 382 N 3.13 -0.56 -0.08 6.54 4.02 -0.62 -4.63 117.16 124.97 1jb0 n TYR 382 Ca 0.06 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.81 1jb0 n TYR 382 Cb 0.46 -3.46 -0.09 0.00 -0.02 0.00 0.00 39.34 36.23 1jb0 n TYR 382 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 176.86 177.10 1jb0 h LEU 383 N 0.00 0.00 -1.86 7.72 5.85 -1.79 -3.32 115.31 121.91 1jb0 h LEU 383 Ca -0.42 -0.48 0.29 0.00 0.84 0.00 0.00 57.88 58.11 1jb0 h LEU 383 Cb 1.28 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 42.26 1jb0 h LEU 383 CO 0.53 1.09 0.72 0.00 -0.34 0.00 0.00 178.44 180.45 1jb0 h ALA 384 N -0.52 2.80 -0.01 1.25 0.00 -1.83 0.10 119.26 121.06 1jb0 h ALA 384 Ca -0.15 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.75 1jb0 h ALA 384 Cb 0.91 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.76 1jb0 h ALA 384 CO -0.09 -1.11 -0.52 2.41 0.00 0.00 0.00 179.25 179.93 1jb0 n THR 385 N -4.31 0.00 -3.10 0.00 -1.04 -1.26 -4.50 114.28 100.07 1jb0 n THR 385 Ca 0.22 -0.17 -0.44 0.00 -2.04 0.00 0.00 64.05 61.62 1jb0 n THR 385 Cb 1.03 0.97 -0.00 0.00 -1.82 0.00 0.00 70.33 70.51 1jb0 n THR 385 CO 0.00 0.00 0.00 -0.62 -0.64 0.00 0.00 175.07 173.81 1jb0 s ASP 386 N -2.61 7.12 0.21 8.00 -1.08 0.35 -4.88 116.67 123.78 1jb0 s ASP 386 Ca 0.17 -3.13 -0.09 0.00 -0.52 0.00 0.00 52.55 48.98 1jb0 s ASP 386 Cb 0.18 -2.32 0.26 0.00 -1.46 0.00 0.00 42.92 39.58 1jb0 s ASP 386 CO 0.62 -0.60 1.79 1.88 0.52 0.00 0.00 175.17 179.38 1jb0 h TYR 387 N 7.12 0.59 -0.37 -5.34 0.99 -1.78 -1.31 116.97 116.86 1jb0 h TYR 387 Ca 0.25 0.03 0.10 0.00 2.00 0.00 0.00 58.73 61.10 1jb0 h TYR 387 Cb 0.89 -0.17 -0.02 0.00 1.00 0.00 0.00 36.73 38.44 1jb0 h TYR 387 CO 0.98 0.25 0.26 -1.35 -0.00 0.00 0.00 178.16 178.30 1jb0 h PRO 388 N 0.59 0.06 0.14 4.88 0.11 -1.90 -0.58 132.00 135.30 1jb0 h PRO 388 Ca 0.30 -0.00 -0.26 0.00 0.11 0.00 0.00 66.00 66.15 1jb0 h PRO 388 Cb 0.26 -0.01 0.03 0.00 0.11 0.00 0.00 31.00 31.39 1jb0 h PRO 388 CO -0.22 0.04 -1.11 1.15 -0.21 0.00 0.00 178.00 177.64 1jb0 h THR 389 N 0.06 1.35 -0.01 -1.15 2.02 -1.47 -2.40 112.91 111.31 1jb0 h THR 389 Ca 0.18 -2.48 0.01 0.00 0.77 0.00 0.00 66.41 64.89 1jb0 h THR 389 Cb 0.62 2.88 -0.01 0.00 -1.74 0.00 0.00 68.15 69.90 1jb0 h THR 389 CO -0.01 0.74 -0.03 1.56 0.37 0.00 0.00 175.52 178.15 1jb0 h GLN 390 N 0.05 -0.04 0.16 6.66 1.08 -0.63 0.01 115.11 122.39 1jb0 h GLN 390 Ca -0.18 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.03 1jb0 h GLN 390 Cb 1.83 0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 29.26 1jb0 h GLN 390 CO 0.21 -0.03 -0.15 1.25 -0.95 0.00 0.00 178.83 179.16 1jb0 h LEU 391 N -0.05 -0.41 -0.19 1.46 5.85 -1.22 -2.22 115.31 118.53 1jb0 h LEU 391 Ca 0.02 0.04 0.04 0.00 0.84 0.00 0.00 57.88 58.81 1jb0 h LEU 391 Cb 0.07 0.14 -0.04 0.00 0.37 0.00 0.00 40.66 41.20 1jb0 h LEU 391 CO -0.04 -0.23 -0.05 0.28 -0.34 0.00 0.00 178.44 178.06 1jb0 h SER 392 N -0.34 -0.18 -0.61 1.25 0.02 -1.29 -1.54 113.55 110.86 1jb0 h SER 392 Ca 0.00 0.06 0.00 0.00 -0.84 0.00 0.00 61.79 61.01 1jb0 h SER 392 Cb 0.32 0.12 -0.03 0.00 0.14 0.00 0.00 62.40 62.95 1jb0 h SER 392 CO -0.04 -0.06 0.39 -0.07 -1.14 0.00 0.00 176.83 175.91 1jb0 h LEU 393 N 0.00 0.71 0.64 5.07 3.38 -0.91 0.33 115.31 124.54 1jb0 h LEU 393 Ca 0.09 -0.04 -0.03 0.00 0.09 0.00 0.00 57.88 58.00 1jb0 h LEU 393 Cb 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 40.66 40.72 1jb0 h LEU 393 CO -0.20 0.53 -0.31 0.15 0.09 0.00 0.00 178.44 178.71 1jb0 h PHE 394 N 0.82 -0.80 -0.31 1.13 3.57 -1.10 -1.91 116.94 118.35 1jb0 h PHE 394 Ca 0.22 -0.02 -0.08 0.00 3.53 0.00 0.00 57.97 61.62 1jb0 h PHE 394 Cb -0.06 0.26 -0.02 0.00 2.79 0.00 0.00 35.95 38.92 1jb0 h PHE 394 CO -0.03 -0.48 -0.16 1.79 -2.23 0.00 0.00 178.31 177.21 1jb0 h THR 395 N -0.93 1.24 0.36 4.41 1.35 -1.24 -1.75 112.91 116.36 1jb0 h THR 395 Ca -0.09 -1.11 -0.00 0.00 -0.55 0.00 0.00 66.41 64.65 1jb0 h THR 395 Cb 0.68 1.18 -0.02 0.00 -1.73 0.00 0.00 68.15 68.27 1jb0 h THR 395 CO 0.15 0.36 -0.31 -0.74 -0.25 0.00 0.00 175.52 174.72 1jb0 h HIS 396 N 0.50 -0.84 0.00 4.73 -0.00 -0.84 -0.37 115.15 118.32 1jb0 h HIS 396 Ca 0.09 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.45 1jb0 h HIS 396 Cb 0.56 0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 28.29 1jb0 h HIS 396 CO 0.02 -0.46 -0.03 0.45 -0.00 0.00 0.00 177.93 177.91 1jb0 h HIS 397 N -0.69 0.00 -0.02 5.26 -0.00 -1.25 -1.34 115.15 117.11 1jb0 h HIS 397 Ca -0.03 0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.33 1jb0 h HIS 397 Cb 0.61 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 28.02 1jb0 h HIS 397 CO -0.17 0.03 -0.04 0.52 -0.00 0.00 0.00 177.93 178.27 1jb0 h MET 398 N 0.00 0.06 -0.67 2.45 2.86 -0.78 -1.95 114.93 116.90 1jb0 h MET 398 Ca -0.00 -0.04 0.03 0.00 -2.06 0.00 0.00 59.70 57.63 1jb0 h MET 398 Cb 0.46 0.00 -0.04 0.00 0.06 0.00 0.00 31.60 32.08 1jb0 h MET 398 CO 0.00 0.60 0.42 -1.49 1.06 0.00 0.00 176.91 177.50 1jb0 h TRP 399 N -0.47 0.78 -0.52 -0.22 -0.00 -0.63 -0.03 115.95 114.86 1jb0 h TRP 399 Ca 0.00 0.02 -0.02 0.00 -0.00 0.00 0.00 58.89 58.90 1jb0 h TRP 399 Cb 0.59 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.47 1jb0 h TRP 399 CO 0.12 0.45 0.26 0.82 -0.00 0.00 0.00 178.44 180.08 1jb0 h ILE 400 N 0.82 1.19 -0.68 1.49 1.08 -1.27 -1.73 117.51 118.42 1jb0 h ILE 400 Ca 0.27 -0.52 -0.01 0.00 -0.39 0.00 0.00 64.86 64.21 1jb0 h ILE 400 Cb 0.02 0.59 -0.03 0.00 -3.07 0.00 0.00 36.82 34.32 1jb0 h ILE 400 CO -0.11 0.21 0.39 1.23 -0.69 0.00 0.00 178.15 179.18 1jb0 h GLY 401 N 0.69 0.99 0.51 5.37 0.00 -0.83 -1.46 103.07 108.34 1jb0 h GLY 401 Ca 0.18 -0.43 0.03 0.00 0.00 0.00 0.00 47.33 47.11 1jb0 h GLY 401 CO -0.02 0.42 -0.19 -1.33 0.00 0.00 0.00 176.54 175.41 1jb0 h GLY 402 N 0.92 -0.24 0.94 4.60 0.00 -0.52 -0.59 103.07 108.18 1jb0 h GLY 402 Ca 0.24 0.23 -0.02 0.00 0.00 0.00 0.00 47.33 47.78 1jb0 h GLY 402 CO -0.04 -0.17 0.15 0.74 0.00 0.00 0.00 176.54 177.22 1jb0 h PHE 403 N -0.29 0.51 -0.52 5.60 -1.00 -1.10 -2.41 116.94 117.72 1jb0 h PHE 403 Ca 0.07 -0.03 -0.01 0.00 2.81 0.00 0.00 57.97 60.80 1jb0 h PHE 403 Cb 0.38 -0.15 -0.03 0.00 3.61 0.00 0.00 35.95 39.76 1jb0 h PHE 403 CO -0.25 0.45 0.26 -0.07 -1.61 0.00 0.00 178.31 177.10 1jb0 h LEU 404 N 0.41 0.65 -0.13 1.54 3.38 -1.08 -1.37 115.31 118.71 1jb0 h LEU 404 Ca 0.12 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 58.03 1jb0 h LEU 404 Cb 0.15 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 1jb0 h LEU 404 CO -0.01 0.54 0.05 0.58 0.09 0.00 0.00 178.44 179.69 1jb0 h VAL 405 N 0.73 1.14 -0.70 1.22 2.07 -0.85 -1.29 116.25 118.57 1jb0 h VAL 405 Ca 0.18 -0.43 0.01 0.00 0.82 0.00 0.00 66.70 67.29 1jb0 h VAL 405 Cb 0.06 1.20 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 1jb0 h VAL 405 CO -0.03 0.13 0.46 0.58 0.02 0.00 0.00 177.57 178.74 1jb0 h VAL 406 N 0.06 1.16 -0.58 2.57 2.07 -1.12 -2.29 116.25 118.12 1jb0 h VAL 406 Ca 0.04 -0.32 -0.01 0.00 0.82 0.00 0.00 66.70 67.23 1jb0 h VAL 406 Cb 0.16 0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 1jb0 h VAL 406 CO -0.00 0.17 0.31 1.23 0.02 0.00 0.00 177.57 179.30 1jb0 h GLY 407 N 0.92 0.86 0.69 2.17 0.00 -0.72 0.12 103.07 107.11 1jb0 h GLY 407 Ca 0.26 -0.39 0.04 0.00 0.00 0.00 0.00 47.33 47.24 1jb0 h GLY 407 CO -0.06 0.38 0.12 -1.33 0.00 0.00 0.00 176.54 175.64 1jb0 h GLY 408 N 0.78 0.44 0.86 4.60 0.00 -0.70 0.30 103.07 109.35 1jb0 h GLY 408 Ca 0.20 -0.07 0.03 0.00 0.00 0.00 0.00 47.33 47.50 1jb0 h GLY 408 CO -0.03 0.02 0.44 0.00 0.00 0.00 0.00 176.54 176.97 1jb0 h ALA 409 N 1.23 0.92 -0.11 3.60 0.00 -1.00 0.15 119.26 124.04 1jb0 h ALA 409 Ca 0.16 -0.02 0.03 0.00 0.00 0.00 0.00 54.91 55.08 1jb0 h ALA 409 Cb 0.14 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 1jb0 h ALA 409 CO -0.17 0.21 -0.06 0.00 0.00 0.00 0.00 179.25 179.23 1jb0 h ALA 410 N 1.30 0.04 0.00 0.00 0.00 0.26 -1.56 119.26 119.29 1jb0 h ALA 410 Ca 0.28 0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.24 1jb0 h ALA 410 Cb 0.03 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.96 1jb0 h ALA 410 CO -0.11 -0.52 0.00 0.45 0.00 0.00 0.00 179.25 179.07 1jb0 h HIS 411 N -0.06 0.00 -0.24 0.00 -0.00 -0.36 -1.14 115.15 113.35 1jb0 h HIS 411 Ca 0.07 0.00 -0.16 0.00 -0.00 0.00 0.00 60.37 60.27 1jb0 h HIS 411 Cb 0.16 0.00 -0.00 0.00 -0.00 0.00 0.00 27.41 27.56 1jb0 h HIS 411 CO -0.19 0.00 -0.51 0.78 -0.00 0.00 0.00 177.93 178.01 1jb0 h GLY 412 N 2.25 0.75 1.56 2.45 0.00 0.20 -1.38 103.07 108.90 1jb0 h GLY 412 Ca 0.00 -0.84 -0.22 0.00 0.00 0.00 0.00 47.33 46.27 1jb0 h GLY 412 CO 0.00 0.76 -0.92 0.00 0.00 0.00 0.00 176.54 176.38 1jb0 h ALA 413 N 0.89 0.39 -0.49 3.60 0.00 -0.40 -2.44 119.26 120.80 1jb0 h ALA 413 Ca 0.02 -0.70 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1jb0 h ALA 413 Cb 1.07 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.82 1jb0 h ALA 413 CO 0.10 0.82 0.19 0.82 0.00 0.00 0.00 179.25 181.19 1jb0 h ILE 414 N 0.23 1.21 -0.37 0.00 2.04 -1.16 -2.17 117.51 117.30 1jb0 h ILE 414 Ca -0.07 -0.66 0.07 0.00 1.00 0.00 0.00 64.86 65.19 1jb0 h ILE 414 Cb 1.55 0.72 -0.06 0.00 -0.74 0.00 0.00 36.82 38.29 1jb0 h ILE 414 CO 0.16 0.25 -0.00 0.15 0.00 0.00 0.00 178.15 178.70 1jb0 h PHE 415 N 0.66 -0.03 -0.93 1.37 3.57 -1.19 0.28 116.94 120.67 1jb0 h PHE 415 Ca 0.16 0.03 0.07 0.00 3.53 0.00 0.00 57.97 61.76 1jb0 h PHE 415 Cb 0.20 0.07 -0.06 0.00 2.79 0.00 0.00 35.95 38.95 1jb0 h PHE 415 CO 0.00 -0.07 0.60 0.52 -2.23 0.00 0.00 178.31 177.13 1jb0 h MET 416 N 0.10 1.00 0.00 1.11 2.86 -0.92 0.04 114.93 119.11 1jb0 h MET 416 Ca 0.18 -0.06 -0.00 0.00 -2.06 0.00 0.00 59.70 57.76 1jb0 h MET 416 Cb 0.25 -0.23 0.00 0.00 0.06 0.00 0.00 31.60 31.69 1jb0 h MET 416 CO -0.31 0.66 -0.00 0.28 1.06 0.00 0.00 176.91 178.60 1jb0 h VAL 417 N 1.03 1.75 0.09 -2.22 2.07 -0.75 -3.36 116.25 114.85 1jb0 h VAL 417 Ca 0.41 -2.19 -0.34 0.00 0.82 0.00 0.00 66.70 65.39 1jb0 h VAL 417 Cb 0.24 3.24 -0.02 0.00 -1.52 0.00 0.00 31.29 33.23 1jb0 h VAL 417 CO -0.16 0.57 -1.88 0.03 0.02 0.00 0.00 177.57 176.15 1jb0 h ARG 418 N -0.93 0.20 0.00 1.57 3.08 -0.35 -3.42 114.38 114.52 1jb0 h ARG 418 Ca -0.00 -0.34 -0.12 0.00 0.07 0.00 0.00 59.98 59.59 1jb0 h ARG 418 Cb 0.93 0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 1jb0 h ARG 418 CO 0.00 1.02 -1.73 -0.25 -1.07 0.00 0.00 179.97 177.94 1jb0 n ASP 419 N -3.37 2.01 -4.61 7.04 8.00 -0.25 -5.00 116.55 120.38 1jb0 n ASP 419 Ca -0.27 0.00 -0.51 0.00 0.71 0.00 0.00 54.79 54.73 1jb0 n ASP 419 Cb 1.05 1.16 -0.06 0.00 -0.02 0.00 0.00 41.12 43.25 1jb0 n ASP 419 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1jb0 n TYR 420 N -2.22 1.67 -3.85 1.24 9.36 -0.17 -4.97 117.16 118.22 1jb0 n TYR 420 Ca -0.12 0.56 -0.27 0.00 3.32 0.00 0.00 57.90 61.40 1jb0 n TYR 420 Cb 0.64 -2.37 -0.17 0.00 -0.63 0.00 0.00 39.34 36.81 1jb0 n TYR 420 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1jb0 s ASP 421 N 0.60 2.45 0.15 2.98 2.15 -1.26 -4.99 116.67 118.75 1jb0 s ASP 421 Ca 0.83 -0.49 -0.31 0.00 0.43 0.00 0.00 52.55 53.02 1jb0 s ASP 421 Cb -0.90 -0.77 -0.06 0.00 -0.30 0.00 0.00 42.92 40.89 1jb0 s ASP 421 CO 0.45 -0.19 1.55 -0.65 -0.17 0.00 0.00 175.17 176.17 1jb0 h PRO 422 N 8.19 -0.29 -1.01 4.34 0.11 -1.93 -1.69 132.00 139.72 1jb0 h PRO 422 Ca -0.24 0.02 0.26 0.00 0.11 0.00 0.00 66.00 66.15 1jb0 h PRO 422 Cb 1.12 0.07 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1jb0 h PRO 422 CO 0.37 -0.19 0.60 0.00 -0.21 0.00 0.00 178.00 178.57 1jb0 h ALA 423 N 0.21 1.86 0.00 -0.75 0.00 -2.02 0.24 119.26 118.80 1jb0 h ALA 423 Ca 0.11 0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.15 1jb0 h ALA 423 Cb 0.56 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.39 1jb0 h ALA 423 CO -0.67 -0.35 0.00 1.98 0.00 0.00 0.00 179.25 180.21 1jb0 h MET 424 N 0.53 0.00 -2.14 0.00 -1.53 -1.73 -3.33 114.93 106.73 1jb0 h MET 424 Ca 0.66 0.00 -0.57 0.00 -3.44 0.00 0.00 59.70 56.35 1jb0 h MET 424 Cb 1.32 0.00 -0.41 0.00 -0.55 0.00 0.00 31.60 31.96 1jb0 h MET 424 CO -0.48 0.00 -0.83 0.09 0.14 0.00 0.00 176.91 175.83 1jb0 n ASN 425 N -2.56 2.63 -4.53 1.39 3.02 0.82 -4.47 115.26 111.57 1jb0 n ASN 425 Ca 0.03 -3.27 -0.43 0.00 -0.03 0.00 0.00 54.58 50.88 1jb0 n ASN 425 Cb 0.32 -0.62 -0.06 0.00 -0.61 0.00 0.00 39.78 38.81 1jb0 n ASN 425 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1jb0 s GLN 426 N -2.47 3.33 -1.41 3.52 -0.21 -1.21 -4.31 119.66 116.89 1jb0 s GLN 426 Ca 0.41 -0.27 -0.02 0.00 0.02 0.00 0.00 55.36 55.50 1jb0 s GLN 426 Cb 0.23 -3.95 0.01 0.00 1.00 0.00 0.00 33.01 30.30 1jb0 s GLN 426 CO -0.08 -1.06 0.17 -1.71 -2.12 0.00 0.00 175.29 170.48 1jb0 n ASN 427 N 6.46 -4.95 -4.29 5.90 5.15 -1.26 -4.70 115.26 117.57 1jb0 n ASN 427 Ca -0.00 -0.03 -0.19 0.00 -0.60 0.00 0.00 54.58 53.76 1jb0 n ASN 427 Cb 0.48 -4.12 0.09 0.00 -0.53 0.00 0.00 39.78 35.70 1jb0 n ASN 427 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1jb0 n ASN 428 N -2.06 1.37 0.18 1.20 6.94 -1.26 0.25 115.26 121.88 1jb0 n ASN 428 Ca -0.16 -2.09 0.06 0.00 -0.02 0.00 0.00 54.58 52.38 1jb0 n ASN 428 Cb 0.63 -0.49 0.55 0.00 -2.36 0.00 0.00 39.78 38.11 1jb0 n ASN 428 CO 0.00 0.00 0.00 -0.37 -1.03 0.00 0.00 177.26 175.86 1jb0 h VAL 429 N -0.36 1.05 -0.05 3.53 -1.51 -0.89 -0.46 116.25 117.56 1jb0 h VAL 429 Ca -0.27 -0.18 -0.02 0.00 -1.23 0.00 0.00 66.70 65.01 1jb0 h VAL 429 Cb 1.05 0.92 -0.00 0.00 -2.13 0.00 0.00 31.29 31.13 1jb0 h VAL 429 CO 0.31 0.06 -0.03 0.25 -1.23 0.00 0.00 177.57 176.94 1jb0 h LEU 430 N 0.16 0.12 -0.98 4.19 5.85 -1.94 -1.59 115.31 121.12 1jb0 h LEU 430 Ca 0.04 -0.42 -0.01 0.00 0.84 0.00 0.00 57.88 58.34 1jb0 h LEU 430 Cb 0.05 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.00 1jb0 h LEU 430 CO -0.00 0.51 0.51 -0.78 -0.34 0.00 0.00 178.44 178.34 1jb0 h ASP 431 N -0.27 1.09 0.16 1.25 3.58 -1.68 -2.72 116.42 117.82 1jb0 h ASP 431 Ca 0.01 -0.08 -0.14 0.00 0.42 0.00 0.00 57.03 57.25 1jb0 h ASP 431 Cb 0.46 -0.28 -0.01 0.00 1.72 0.00 0.00 39.33 41.23 1jb0 h ASP 431 CO 0.01 0.85 -0.50 0.03 -2.88 0.00 0.00 179.24 176.75 1jb0 h ARG 432 N 1.23 0.39 -0.17 0.28 3.08 -1.03 -2.13 114.38 116.02 1jb0 h ARG 432 Ca 0.32 -0.22 -0.16 0.00 0.07 0.00 0.00 59.98 59.98 1jb0 h ARG 432 Cb -0.01 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.05 1jb0 h ARG 432 CO -0.06 0.80 -0.56 -0.39 -1.07 0.00 0.00 179.97 178.69 1jb0 h VAL 433 N 0.31 1.33 -0.07 2.04 -1.51 -1.05 -2.56 116.25 114.73 1jb0 h VAL 433 Ca 0.01 -1.82 -0.03 0.00 -1.23 0.00 0.00 66.70 63.64 1jb0 h VAL 433 Cb 0.98 1.80 -0.01 0.00 -2.13 0.00 0.00 31.29 31.94 1jb0 h VAL 433 CO 0.08 0.56 -0.07 -0.07 -1.23 0.00 0.00 177.57 176.85 1jb0 h LEU 434 N 0.41 0.09 0.00 4.19 3.38 -1.37 -1.92 115.31 120.09 1jb0 h LEU 434 Ca 0.00 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.96 1jb0 h LEU 434 Cb 1.11 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 41.83 1jb0 h LEU 434 CO 0.10 0.19 0.00 0.54 0.09 0.00 0.00 178.44 179.36 1jb0 n ARG 435 N -4.39 0.47 -1.53 1.13 1.74 -0.81 -2.99 116.66 110.27 1jb0 n ARG 435 Ca -0.02 0.03 0.02 0.00 -0.77 0.00 0.00 57.85 57.11 1jb0 n ARG 435 Cb 0.19 -1.50 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 1jb0 n ARG 435 CO 0.00 0.00 0.00 -2.39 -1.52 0.00 0.00 177.63 173.72 1jb0 n HIS 436 N -1.23 0.40 0.14 -1.55 1.44 -0.77 -4.88 115.22 108.76 1jb0 n HIS 436 Ca 0.14 -1.13 0.15 0.00 -2.01 0.00 0.00 57.72 54.87 1jb0 n HIS 436 Cb 0.19 -0.20 0.70 0.00 0.12 0.00 0.00 29.99 30.79 1jb0 n HIS 436 CO 0.00 0.00 0.00 0.07 -2.81 0.00 0.00 176.34 173.60 1jb0 h ARG 437 N 1.34 0.00 -0.18 -1.40 0.11 -1.33 -0.73 114.38 112.20 1jb0 h ARG 437 Ca -0.12 0.00 -0.21 0.00 0.10 0.00 0.00 59.98 59.76 1jb0 h ARG 437 Cb 1.55 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.64 1jb0 h ARG 437 CO 0.14 0.00 -0.70 -0.44 0.10 0.00 0.00 179.97 179.07 1jb0 h ASP 438 N 0.00 0.88 0.13 0.08 5.19 -1.89 -0.77 116.42 120.03 1jb0 h ASP 438 Ca 0.12 -0.54 -0.01 0.00 -0.62 0.00 0.00 57.03 55.99 1jb0 h ASP 438 Cb 0.51 -0.26 0.00 0.00 0.18 0.00 0.00 39.33 39.77 1jb0 h ASP 438 CO -0.00 1.33 -0.06 0.00 -3.12 0.00 0.00 179.24 177.38 1jb0 h ALA 439 N 0.67 -0.17 -0.06 3.45 0.00 -1.57 -0.98 119.26 120.59 1jb0 h ALA 439 Ca -0.03 -0.10 0.03 0.00 0.00 0.00 0.00 54.91 54.81 1jb0 h ALA 439 Cb 1.31 0.07 -0.03 0.00 0.00 0.00 0.00 17.79 19.13 1jb0 h ALA 439 CO 0.14 -0.52 -0.11 0.82 0.00 0.00 0.00 179.25 179.58 1jb0 h ILE 440 N -0.32 0.70 -0.39 0.00 2.04 -1.26 -2.12 117.51 116.15 1jb0 h ILE 440 Ca -0.02 0.00 -0.15 0.00 1.00 0.00 0.00 64.86 65.69 1jb0 h ILE 440 Cb 0.26 0.70 -0.01 0.00 -0.74 0.00 0.00 36.82 37.03 1jb0 h ILE 440 CO 0.03 0.00 -0.36 0.40 0.00 0.00 0.00 178.15 178.22 1jb0 h ILE 441 N -0.16 1.27 -0.04 -0.67 1.08 -1.13 -2.45 117.51 115.41 1jb0 h ILE 441 Ca 0.06 -1.53 -0.09 0.00 -0.39 0.00 0.00 64.86 62.91 1jb0 h ILE 441 Cb 0.25 1.35 -0.01 0.00 -3.07 0.00 0.00 36.82 35.34 1jb0 h ILE 441 CO -0.16 0.51 -0.40 0.77 -0.69 0.00 0.00 178.15 178.18 1jb0 h SER 442 N 0.76 0.08 -0.15 1.72 4.64 -1.13 -0.01 113.55 119.46 1jb0 h SER 442 Ca 0.07 -0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.23 1jb0 h SER 442 Cb 0.94 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.01 1jb0 h SER 442 CO 0.09 0.48 -0.40 0.45 -0.87 0.00 0.00 176.83 176.58 1jb0 h HIS 443 N 0.07 0.68 -0.53 4.77 3.86 -1.29 -2.04 115.15 120.67 1jb0 h HIS 443 Ca 0.00 -0.27 -0.08 0.00 -1.16 0.00 0.00 60.37 58.87 1jb0 h HIS 443 Cb 0.74 -0.12 -0.02 0.00 1.06 0.00 0.00 27.41 29.07 1jb0 h HIS 443 CO 0.00 1.02 0.02 1.25 0.86 0.00 0.00 177.93 181.09 1jb0 h LEU 444 N 0.15 0.85 -0.21 2.43 5.85 -1.33 -1.02 115.31 122.04 1jb0 h LEU 444 Ca -0.01 -0.21 0.04 0.00 0.84 0.00 0.00 57.88 58.54 1jb0 h LEU 444 Cb 1.02 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.79 1jb0 h LEU 444 CO 0.09 0.90 -0.01 -1.13 -0.34 0.00 0.00 178.44 177.94 1jb0 h ASN 445 N 0.82 -0.11 -0.23 1.25 -0.73 -0.92 -1.20 115.58 114.47 1jb0 h ASN 445 Ca 0.16 0.05 0.00 0.00 1.87 0.00 0.00 56.30 58.38 1jb0 h ASN 445 Cb 0.46 0.09 -0.01 0.00 0.27 0.00 0.00 38.32 39.13 1jb0 h ASN 445 CO 0.02 -0.03 0.15 -0.25 -0.37 0.00 0.00 177.43 176.95 1jb0 h TRP 446 N 0.05 0.29 -0.82 0.67 7.01 -0.76 -2.17 115.95 120.22 1jb0 h TRP 446 Ca 0.10 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.18 1jb0 h TRP 446 Cb 0.13 -0.10 -0.05 0.00 -2.10 0.00 0.00 29.16 27.04 1jb0 h TRP 446 CO -0.19 0.19 0.53 0.28 -2.79 0.00 0.00 178.44 176.46 1jb0 h VAL 447 N 0.30 1.02 -0.43 2.65 2.07 -0.97 -0.35 116.25 120.54 1jb0 h VAL 447 Ca 0.08 -0.29 -0.13 0.00 0.82 0.00 0.00 66.70 67.18 1jb0 h VAL 447 Cb -0.03 0.09 -0.01 0.00 -1.52 0.00 0.00 31.29 29.82 1jb0 h VAL 447 CO -0.02 0.16 -0.23 0.00 0.02 0.00 0.00 177.57 177.50 1jb0 h ILE 449 N 0.76 1.28 0.37 0.00 2.04 -0.70 -0.28 117.51 120.97 1jb0 h ILE 449 Ca 0.10 -1.71 -0.02 0.00 1.00 0.00 0.00 64.86 64.23 1jb0 h ILE 449 Cb 0.78 1.60 0.00 0.00 -0.74 0.00 0.00 36.82 38.46 1jb0 h ILE 449 CO 0.06 0.56 -0.19 0.15 0.00 0.00 0.00 178.15 178.73 1jb0 h PHE 450 N 0.65 -0.48 -0.89 1.37 3.57 -0.94 -1.76 116.94 118.45 1jb0 h PHE 450 Ca 0.02 -0.01 0.02 0.00 3.53 0.00 0.00 57.97 61.53 1jb0 h PHE 450 Cb 1.11 0.16 -0.05 0.00 2.79 0.00 0.00 35.95 39.97 1jb0 h PHE 450 CO 0.07 -0.30 0.59 -0.07 -2.23 0.00 0.00 178.31 176.36 1jb0 h LEU 451 N -0.51 1.00 0.20 0.59 3.38 -0.89 0.64 115.31 119.71 1jb0 h LEU 451 Ca -0.05 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 1jb0 h LEU 451 Cb 0.40 -0.24 0.00 0.00 0.09 0.00 0.00 40.66 40.91 1jb0 h LEU 451 CO 0.07 0.71 -0.09 1.23 0.09 0.00 0.00 178.44 180.45 1jb0 h GLY 452 N 1.17 -0.27 0.95 0.83 0.00 -0.94 -1.66 103.07 103.15 1jb0 h GLY 452 Ca 0.34 0.10 -0.01 0.00 0.00 0.00 0.00 47.33 47.76 1jb0 h GLY 452 CO -0.09 -0.10 -0.12 0.74 0.00 0.00 0.00 176.54 176.97 1jb0 h PHE 453 N -0.34 -0.30 0.00 5.60 0.05 -1.08 -2.56 116.94 118.31 1jb0 h PHE 453 Ca -0.03 -0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.76 1jb0 h PHE 453 Cb 0.26 0.11 0.00 0.00 2.00 0.00 0.00 35.95 38.32 1jb0 h PHE 453 CO -0.04 -0.18 0.00 0.72 -0.18 0.00 0.00 178.31 178.63 1jb0 n HIS 454 N -5.23 0.00 0.00 -0.55 8.25 0.20 -1.41 115.22 116.47 1jb0 n HIS 454 Ca -0.09 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.37 1jb0 n HIS 454 Cb 0.15 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1jb0 n HIS 454 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1jb0 n SER 455 N -0.59 0.00 -0.34 0.41 3.41 -0.63 -4.66 113.62 111.22 1jb0 n SER 455 Ca 0.04 0.00 0.05 0.00 -0.26 0.00 0.00 58.87 58.70 1jb0 n SER 455 Cb 0.02 0.00 0.23 0.00 -0.26 0.00 0.00 64.21 64.20 1jb0 n SER 455 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 175.04 175.03 1jb0 h PHE 456 N 0.00 1.11 -0.75 7.33 3.57 -1.63 -0.34 116.94 126.23 1jb0 h PHE 456 Ca 0.00 0.03 0.15 0.00 3.53 0.00 0.00 57.97 61.68 1jb0 h PHE 456 Cb 0.00 -0.36 -0.05 0.00 2.79 0.00 0.00 35.95 38.33 1jb0 h PHE 456 CO 0.00 0.53 0.50 0.78 -2.23 0.00 0.00 178.31 177.89 1jb0 h GLY 457 N 1.05 0.66 1.43 2.40 0.00 -1.12 -0.60 103.07 106.89 1jb0 h GLY 457 Ca 0.44 -0.17 -0.09 0.00 0.00 0.00 0.00 47.33 47.51 1jb0 h GLY 457 CO -0.19 0.05 -0.17 1.41 0.00 0.00 0.00 176.54 177.65 1jb0 h LEU 458 N 0.39 0.66 -0.19 3.11 3.38 -1.17 -1.45 115.31 120.05 1jb0 h LEU 458 Ca 0.37 -0.21 -0.02 0.00 0.09 0.00 0.00 57.88 58.11 1jb0 h LEU 458 Cb 0.87 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.43 1jb0 h LEU 458 CO -0.11 0.84 0.05 1.88 0.09 0.00 0.00 178.44 181.19 1jb0 h TYR 459 N 0.60 0.32 0.00 1.13 -1.99 -1.12 -0.51 116.97 115.40 1jb0 h TYR 459 Ca 0.10 -0.04 -0.10 0.00 2.00 0.00 0.00 58.73 60.69 1jb0 h TYR 459 Cb 0.62 -0.09 -0.01 0.00 2.00 0.00 0.00 36.73 39.25 1jb0 h TYR 459 CO 0.03 0.43 -0.49 -0.39 -0.00 0.00 0.00 178.16 177.73 1jb0 h VAL 460 N 0.12 1.25 -0.32 -2.88 -1.51 -1.35 0.11 116.25 111.66 1jb0 h VAL 460 Ca 0.06 -1.74 -0.00 0.00 -1.23 0.00 0.00 66.70 63.78 1jb0 h VAL 460 Cb 0.27 1.97 -0.02 0.00 -2.13 0.00 0.00 31.29 31.38 1jb0 h VAL 460 CO 0.00 0.48 0.19 -0.74 -1.23 0.00 0.00 177.57 176.27 1jb0 h HIS 461 N 0.00 0.42 -0.21 5.19 -0.00 -1.13 -2.13 115.15 117.29 1jb0 h HIS 461 Ca -0.00 -0.00 -0.00 0.00 -0.00 0.00 0.00 60.37 60.36 1jb0 h HIS 461 Cb 0.93 -0.14 -0.01 0.00 -0.00 0.00 0.00 27.41 28.19 1jb0 h HIS 461 CO 0.00 0.31 0.13 -0.91 -0.00 0.00 0.00 177.93 177.46 1jb0 h ASN 462 N 0.41 0.26 -0.82 3.26 2.35 -0.26 -0.55 115.58 120.22 1jb0 h ASN 462 Ca 0.11 -0.05 0.09 0.00 -0.55 0.00 0.00 56.30 55.90 1jb0 h ASN 462 Cb 0.01 -0.06 -0.07 0.00 0.05 0.00 0.00 38.32 38.25 1jb0 h ASN 462 CO -0.02 0.23 0.48 0.44 -1.65 0.00 0.00 177.43 176.91 1jb0 h ASP 463 N 0.26 0.71 -0.01 5.81 5.19 -0.86 0.69 116.42 128.21 1jb0 h ASP 463 Ca 0.08 0.04 -0.00 0.00 -0.62 0.00 0.00 57.03 56.53 1jb0 h ASP 463 Cb 0.02 -0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.43 1jb0 h ASP 463 CO -0.01 0.42 -0.00 0.74 -3.12 0.00 0.00 179.24 177.26 1jb0 h THR 464 N 0.83 1.32 -0.29 0.35 2.02 -1.05 -0.82 112.91 115.27 1jb0 h THR 464 Ca 0.39 -0.95 0.03 0.00 0.77 0.00 0.00 66.41 66.65 1jb0 h THR 464 Cb 0.31 1.96 -0.03 0.00 -1.74 0.00 0.00 68.15 68.65 1jb0 h THR 464 CO -0.23 0.25 0.10 0.24 0.37 0.00 0.00 175.52 176.26 1jb0 h MET 465 N -0.39 0.23 -0.56 6.66 2.86 -0.84 -0.45 114.93 122.44 1jb0 h MET 465 Ca 0.00 -0.01 -0.00 0.00 -2.06 0.00 0.00 59.70 57.63 1jb0 h MET 465 Cb 0.41 -0.05 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 1jb0 h MET 465 CO 0.00 0.15 0.35 -0.09 1.06 0.00 0.00 176.91 178.38 1jb0 h ARG 466 N 0.24 0.76 -0.16 1.72 9.65 -0.84 0.09 114.38 125.84 1jb0 h ARG 466 Ca 0.13 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 58.94 1jb0 h ARG 466 Cb 0.10 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.50 1jb0 h ARG 466 CO -0.13 0.53 0.04 0.00 2.80 0.00 0.00 179.97 183.21 1jb0 h ALA 467 N 1.18 1.78 0.00 2.80 0.00 -0.76 -1.30 119.26 122.96 1jb0 h ALA 467 Ca 0.20 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.05 1jb0 h ALA 467 Cb -0.04 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jb0 h ALA 467 CO -0.04 0.18 0.00 1.19 0.00 0.00 0.00 179.25 180.58 1jb0 n PHE 468 N -4.45 0.00 -2.26 0.00 0.99 -0.21 -4.88 117.46 106.65 1jb0 n PHE 468 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.44 1jb0 n PHE 468 Cb 0.13 -0.48 0.00 0.00 -1.00 0.00 0.00 39.48 38.13 1jb0 n PHE 468 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1jb0 n GLY 469 N 1.20 0.84 2.64 1.37 0.00 -0.49 -5.00 105.19 105.75 1jb0 n GLY 469 Ca 0.07 -0.69 -0.24 0.00 0.00 0.00 0.00 46.02 45.16 1jb0 n GLY 469 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jb0 n ARG 470 N -0.60 2.74 0.00 1.61 1.74 -0.10 -4.91 116.66 117.15 1jb0 n ARG 470 Ca 0.00 -4.34 0.22 0.00 -0.77 0.00 0.00 57.85 52.97 1jb0 n ARG 470 Cb 0.47 -2.05 0.73 0.00 -1.02 0.00 0.00 32.46 30.59 1jb0 n ARG 470 CO 0.00 0.00 0.00 -1.00 -1.52 0.00 0.00 177.63 175.11 1jb0 h PRO 471 N 2.84 0.00 0.00 5.56 0.13 -1.88 0.20 132.00 138.86 1jb0 h PRO 471 Ca 0.16 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.29 1jb0 h PRO 471 Cb 0.80 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.93 1jb0 h PRO 471 CO 0.75 0.00 0.00 -0.56 -0.23 0.00 0.00 178.00 177.96 1jb0 h GLN 472 N 0.00 0.00 -0.33 0.86 -0.00 -1.90 -2.87 115.11 110.87 1jb0 h GLN 472 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.92 1jb0 h GLN 472 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 1jb0 h GLN 472 CO -0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 178.83 178.58 1jb0 n ASP 473 N -3.05 2.14 -4.90 0.06 8.00 0.72 -4.18 116.55 115.33 1jb0 n ASP 473 Ca 0.01 -1.90 -0.28 0.00 0.71 0.00 0.00 54.79 53.34 1jb0 n ASP 473 Cb 0.34 -0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.21 1jb0 n ASP 473 CO 0.00 0.00 0.00 -0.04 -0.39 0.00 0.00 177.20 176.77 1jb0 s MET 474 N -1.57 3.60 -0.41 -1.24 -1.94 -1.08 -4.84 119.30 111.82 1jb0 s MET 474 Ca 0.30 0.17 -0.23 0.00 -1.71 0.00 0.00 55.69 54.22 1jb0 s MET 474 Cb 0.16 -2.45 0.02 0.00 2.01 0.00 0.00 34.83 34.57 1jb0 s MET 474 CO 0.23 -0.06 0.76 -0.06 -0.01 0.00 0.00 175.02 175.87 1jb0 s PHE 475 N -2.51 3.05 0.12 -0.03 0.40 -1.26 0.01 117.98 117.77 1jb0 s PHE 475 Ca 0.47 0.30 -0.26 0.00 -0.60 0.00 0.00 56.93 56.85 1jb0 s PHE 475 Cb -0.10 -3.50 0.08 0.00 0.51 0.00 0.00 43.02 40.01 1jb0 s PHE 475 CO 0.39 -0.85 1.05 -1.54 0.70 0.00 0.00 175.22 174.97 1jb0 s SER 476 N 1.99 -0.11 0.61 1.36 1.04 -0.09 -4.88 113.70 113.62 1jb0 s SER 476 Ca 0.29 -0.40 0.33 0.00 0.48 0.00 0.00 55.95 56.65 1jb0 s SER 476 Cb -0.13 0.41 1.95 0.00 0.10 0.00 0.00 66.02 68.36 1jb0 s SER 476 CO 0.20 -0.78 2.26 0.44 0.98 0.00 0.00 173.24 176.33 1jb0 h ASP 477 N 2.00 0.00 -0.13 7.02 3.32 -1.87 -2.26 116.42 124.50 1jb0 h ASP 477 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 1jb0 h ASP 477 Cb 1.22 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1jb0 h ASP 477 CO 0.28 0.00 0.00 0.35 -1.72 0.00 0.00 179.24 178.15 1jb0 n THR 478 N -3.63 0.39 0.00 0.35 -2.24 -1.26 -4.87 114.28 103.03 1jb0 n THR 478 Ca -0.02 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.06 1jb0 n THR 478 Cb 0.12 0.93 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 1jb0 n THR 478 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 479 N 0.52 2.44 3.56 3.38 0.00 -0.86 -4.89 105.19 109.35 1jb0 n GLY 479 Ca 0.08 -0.12 -0.42 0.00 0.00 0.00 0.00 46.02 45.55 1jb0 n GLY 479 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1jb0 s ILE 480 N 3.50 4.13 0.45 -0.61 1.01 0.10 -4.71 121.20 125.08 1jb0 s ILE 480 Ca 0.00 0.72 -0.21 0.00 0.00 0.00 0.00 60.65 61.17 1jb0 s ILE 480 Cb 0.00 -4.67 -0.10 0.00 0.01 0.00 0.00 42.46 37.70 1jb0 s ILE 480 CO 0.00 -1.26 0.99 -1.10 0.00 0.00 0.00 174.94 173.56 1jb0 s GLN 481 N 4.64 4.04 -0.38 2.79 -0.21 -1.17 -0.92 119.66 128.44 1jb0 s GLN 481 Ca 0.39 1.23 0.02 0.00 0.02 0.00 0.00 55.36 57.02 1jb0 s GLN 481 Cb -0.09 -2.14 0.16 0.00 1.00 0.00 0.00 33.01 31.93 1jb0 s GLN 481 CO 0.24 -0.21 0.28 -0.51 -2.12 0.00 0.00 175.29 172.97 1jb0 s LEU 482 N -3.31 1.13 0.04 2.90 1.43 -1.26 -4.91 118.68 114.70 1jb0 s LEU 482 Ca 0.64 -2.61 -0.27 0.00 -1.03 0.00 0.00 54.13 50.87 1jb0 s LEU 482 Cb -0.12 -0.37 -0.05 0.00 0.03 0.00 0.00 46.19 45.68 1jb0 s LEU 482 CO 0.16 -0.24 0.83 -1.10 0.23 0.00 0.00 176.35 176.24 1jb0 s GLN 483 N 0.57 4.54 -1.08 1.70 -1.52 -1.26 -3.86 119.66 118.75 1jb0 s GLN 483 Ca 0.26 1.17 -0.07 0.00 -1.95 0.00 0.00 55.36 54.77 1jb0 s GLN 483 Cb -0.09 -3.39 -0.08 0.00 -0.22 0.00 0.00 33.01 29.23 1jb0 s GLN 483 CO -0.10 0.19 2.49 -2.30 -0.25 0.00 0.00 175.29 175.32 1jb0 n PRO 484 N 3.10 2.61 -0.33 2.91 -0.02 -1.26 -4.72 135.00 137.29 1jb0 n PRO 484 Ca 0.00 -1.65 0.16 0.00 -2.02 0.00 0.00 63.50 59.98 1jb0 n PRO 484 Cb 0.50 -2.52 0.35 0.00 -0.02 0.00 0.00 33.50 31.82 1jb0 n PRO 484 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1jb0 h VAL 485 N 3.16 0.52 -0.00 -1.45 2.07 -1.95 -0.86 116.25 117.75 1jb0 h VAL 485 Ca 0.60 -0.18 -0.18 0.00 0.82 0.00 0.00 66.70 67.76 1jb0 h VAL 485 Cb 0.30 -0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 30.00 1jb0 h VAL 485 CO 1.46 0.10 -0.81 -0.26 0.02 0.00 0.00 177.57 178.07 1jb0 h PHE 486 N 0.52 0.12 -0.17 1.57 -1.00 -1.99 -2.15 116.94 113.85 1jb0 h PHE 486 Ca 0.61 -0.06 -0.07 0.00 2.81 0.00 0.00 57.97 61.26 1jb0 h PHE 486 Cb 1.15 -0.01 -0.00 0.00 3.61 0.00 0.00 35.95 40.70 1jb0 h PHE 486 CO -0.05 0.85 -0.17 0.00 -1.61 0.00 0.00 178.31 177.34 1jb0 h ALA 487 N 1.13 0.24 -0.90 2.45 0.00 -1.69 -1.71 119.26 118.79 1jb0 h ALA 487 Ca -0.02 -0.34 0.02 0.00 0.00 0.00 0.00 54.91 54.57 1jb0 h ALA 487 Cb 1.41 -0.05 -0.05 0.00 0.00 0.00 0.00 17.79 19.11 1jb0 h ALA 487 CO 0.11 0.14 0.59 1.96 0.00 0.00 0.00 179.25 182.06 1jb0 h GLN 488 N 0.05 1.16 -0.67 0.00 4.20 -1.20 0.74 115.11 119.40 1jb0 h GLN 488 Ca 0.03 -0.07 0.01 0.00 0.06 0.00 0.00 58.65 58.67 1jb0 h GLN 488 Cb 0.70 -0.26 -0.03 0.00 0.30 0.00 0.00 27.48 28.19 1jb0 h GLN 488 CO 0.04 0.77 0.44 2.35 -0.67 0.00 0.00 178.83 181.76 1jb0 h TRP 489 N 1.20 0.84 -0.23 2.96 7.01 -1.26 -1.96 115.95 124.51 1jb0 h TRP 489 Ca 0.34 0.02 -0.13 0.00 2.11 0.00 0.00 58.89 61.23 1jb0 h TRP 489 Cb -0.11 -0.28 -0.01 0.00 -2.10 0.00 0.00 29.16 26.66 1jb0 h TRP 489 CO -0.01 0.54 -0.39 0.28 -2.79 0.00 0.00 178.44 176.07 1jb0 h VAL 490 N 0.90 1.30 -0.67 2.65 2.07 -0.38 -2.38 116.25 119.74 1jb0 h VAL 490 Ca 0.24 -1.54 -0.00 0.00 0.82 0.00 0.00 66.70 66.22 1jb0 h VAL 490 Cb -0.09 1.55 -0.03 0.00 -1.52 0.00 0.00 31.29 31.19 1jb0 h VAL 490 CO -0.05 0.48 0.41 1.56 0.02 0.00 0.00 177.57 179.99 1jb0 h GLN 491 N 0.43 0.90 -0.17 1.57 4.20 -0.39 -2.21 115.11 119.46 1jb0 h GLN 491 Ca 0.04 -0.08 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 1jb0 h GLN 491 Cb 0.87 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.45 1jb0 h GLN 491 CO 0.07 0.64 0.07 -0.97 -0.67 0.00 0.00 178.83 177.97 1jb0 h ASN 492 N 0.91 0.23 -0.95 1.46 -1.24 -1.25 -1.37 115.58 113.37 1jb0 h ASN 492 Ca 0.24 -0.16 0.09 0.00 0.71 0.00 0.00 56.30 57.18 1jb0 h ASN 492 Cb -0.04 -0.06 -0.07 0.00 0.73 0.00 0.00 38.32 38.88 1jb0 h ASN 492 CO -0.05 0.32 0.61 -0.07 -1.29 0.00 0.00 177.43 176.96 1jb0 h LEU 493 N 0.12 0.90 -0.45 0.34 3.38 -1.14 -0.77 115.31 117.68 1jb0 h LEU 493 Ca 0.06 0.02 -0.12 0.00 0.09 0.00 0.00 57.88 57.93 1jb0 h LEU 493 Cb 0.17 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1jb0 h LEU 493 CO -0.00 0.53 -0.20 0.45 0.09 0.00 0.00 178.44 179.31 1jb0 h HIS 494 N 1.00 1.07 0.00 1.13 3.86 -1.12 -1.42 115.15 119.66 1jb0 h HIS 494 Ca 0.44 -0.26 -0.04 0.00 -1.16 0.00 0.00 60.37 59.34 1jb0 h HIS 494 Cb 0.35 -0.25 -0.01 0.00 1.06 0.00 0.00 27.41 28.56 1jb0 h HIS 494 CO -0.00 1.06 -0.21 1.15 0.86 0.00 0.00 177.93 180.79 1jb0 h THR 495 N 0.77 1.15 -0.01 2.45 2.02 -0.22 -2.46 112.91 116.61 1jb0 h THR 495 Ca 0.10 -0.71 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1jb0 h THR 495 Cb 0.77 1.38 0.00 0.00 -1.74 0.00 0.00 68.15 68.56 1jb0 h THR 495 CO 0.06 0.20 -0.34 0.18 0.37 0.00 0.00 175.52 176.00 1jb0 n LEU 496 N -4.29 1.35 -0.28 2.58 4.77 -0.40 -4.36 117.00 116.37 1jb0 n LEU 496 Ca -0.02 -0.42 0.01 0.00 -0.03 0.00 0.00 56.01 55.54 1jb0 n LEU 496 Cb 0.27 -0.08 0.21 0.00 -2.33 0.00 0.00 43.42 41.49 1jb0 n LEU 496 CO 0.37 0.25 1.26 0.00 -1.33 0.00 0.00 177.39 177.94 1jb0 h ALA 497 N 3.74 1.44 -2.37 -1.18 0.00 -0.76 -3.28 119.26 116.85 1jb0 h ALA 497 Ca 0.00 -0.05 -0.53 0.00 0.00 0.00 0.00 54.91 54.33 1jb0 h ALA 497 Cb 0.59 -0.32 0.02 0.00 0.00 0.00 0.00 17.79 18.08 1jb0 h ALA 497 CO 0.00 0.49 1.19 -2.14 0.00 0.00 0.00 179.25 178.79 1jb0 s PRO 498 N -5.93 4.15 0.00 0.00 0.02 -1.26 0.11 135.00 132.08 1jb0 s PRO 498 Ca -0.12 2.55 0.00 0.00 0.02 0.00 0.00 61.00 63.45 1jb0 s PRO 498 Cb 0.18 -4.03 0.00 0.00 0.02 0.00 0.00 34.50 30.67 1jb0 s PRO 498 CO 0.80 -0.92 0.00 0.41 -0.33 0.00 0.00 177.00 176.96 1jb0 n GLY 499 N 4.42 2.01 0.00 0.52 0.00 -0.93 -4.84 105.19 106.37 1jb0 n GLY 499 Ca 0.19 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.79 1jb0 n GLY 499 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 500 N 0.00 1.12 0.00 -0.02 0.00 -0.73 -4.16 105.19 101.41 1jb0 n GLY 500 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.16 1jb0 n GLY 500 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 501 N 0.00 0.07 -3.19 2.61 -2.24 -0.96 -3.51 114.28 107.06 1jb0 n THR 501 Ca 0.00 0.02 -0.22 0.00 -2.27 0.00 0.00 64.05 61.57 1jb0 n THR 501 Cb 0.00 -0.54 -0.05 0.00 -2.10 0.00 0.00 70.33 67.64 1jb0 n THR 501 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n ALA 502 N -1.36 2.66 -0.28 6.98 0.00 0.30 -5.01 120.51 123.79 1jb0 n ALA 502 Ca 0.11 -3.67 0.06 0.00 0.00 0.00 0.00 53.44 49.95 1jb0 n ALA 502 Cb 0.26 -0.86 0.17 0.00 0.00 0.00 0.00 19.45 19.03 1jb0 n ALA 502 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 177.50 176.15 1jb0 h PRO 503 N 3.54 0.07 -0.04 0.00 0.11 -1.67 -1.22 132.00 132.80 1jb0 h PRO 503 Ca 0.10 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.21 1jb0 h PRO 503 Cb 0.85 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 31.95 1jb0 h PRO 503 CO 0.55 0.05 0.00 0.09 -0.21 0.00 0.00 178.00 178.48 1jb0 n ASN 504 N -5.39 0.57 -4.79 -2.05 4.13 -1.26 -3.76 115.26 102.70 1jb0 n ASN 504 Ca 0.15 -1.37 -0.39 0.00 1.68 0.00 0.00 54.58 54.65 1jb0 n ASN 504 Cb 0.52 -0.02 -0.06 0.00 -1.54 0.00 0.00 39.78 38.68 1jb0 n ASN 504 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1jb0 s ALA 505 N -1.96 3.56 0.00 5.41 0.00 -0.51 -4.78 121.76 123.49 1jb0 s ALA 505 Ca 0.36 0.01 -0.13 0.00 0.00 0.00 0.00 51.96 52.19 1jb0 s ALA 505 Cb 0.18 -2.65 -0.33 0.00 0.00 0.00 0.00 23.12 20.31 1jb0 s ALA 505 CO 0.29 0.32 0.88 0.00 0.00 0.00 0.00 175.76 177.24 1jb0 h ALA 506 N 4.98 -0.02 -2.53 0.00 0.00 -1.21 -3.31 119.26 117.15 1jb0 h ALA 506 Ca -0.48 -0.97 -0.32 0.00 0.00 0.00 0.00 54.91 53.13 1jb0 h ALA 506 Cb 1.21 0.28 -0.14 0.00 0.00 0.00 0.00 17.79 19.13 1jb0 h ALA 506 CO 0.66 0.84 -0.59 0.00 0.00 0.00 0.00 179.25 180.16 1jb0 s ALA 507 N -2.60 1.51 0.70 0.00 0.00 0.18 -4.87 121.76 116.67 1jb0 s ALA 507 Ca -0.11 -1.79 -0.16 0.00 0.00 0.00 0.00 51.96 49.90 1jb0 s ALA 507 Cb 0.05 1.29 0.00 0.00 0.00 0.00 0.00 23.12 24.46 1jb0 s ALA 507 CO 0.91 -0.56 1.08 2.41 0.00 0.00 0.00 175.76 179.60 1jb0 n THR 508 N -0.41 3.43 0.22 0.00 -1.04 -1.07 -4.50 114.28 110.90 1jb0 n THR 508 Ca 0.02 -0.41 0.06 0.00 -2.04 0.00 0.00 64.05 61.68 1jb0 n THR 508 Cb 0.65 -1.22 0.52 0.00 -1.82 0.00 0.00 70.33 68.46 1jb0 n THR 508 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jb0 h ALA 509 N -0.03 1.74 -2.75 2.41 0.00 -1.86 -3.32 119.26 115.45 1jb0 h ALA 509 Ca -0.48 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.16 1jb0 h ALA 509 Cb 1.34 -0.03 -0.26 0.00 0.00 0.00 0.00 17.79 18.84 1jb0 h ALA 509 CO 0.49 0.20 -0.31 0.45 0.00 0.00 0.00 179.25 180.08 1jb0 s SER 510 N -7.00 -0.44 0.45 0.00 0.15 -1.26 -4.77 113.70 100.82 1jb0 s SER 510 Ca -0.04 0.80 0.31 0.00 0.70 0.00 0.00 55.95 57.72 1jb0 s SER 510 Cb 0.16 0.73 1.55 0.00 -1.71 0.00 0.00 66.02 66.75 1jb0 s SER 510 CO 0.70 -0.17 1.93 0.58 1.20 0.00 0.00 173.24 177.48 1jb0 h VAL 511 N 5.19 0.00 -0.19 4.45 2.07 -1.79 -2.22 116.25 123.76 1jb0 h VAL 511 Ca -0.33 -0.11 -0.10 0.00 0.82 0.00 0.00 66.70 66.97 1jb0 h VAL 511 Cb 1.18 0.87 -0.01 0.00 -1.52 0.00 0.00 31.29 31.81 1jb0 h VAL 511 CO 0.29 0.00 -0.31 0.00 0.02 0.00 0.00 177.57 177.57 1jb0 h ALA 512 N 2.05 1.12 0.00 1.67 0.00 -1.80 -2.67 119.26 119.62 1jb0 h ALA 512 Ca 0.00 -0.36 -0.04 0.00 0.00 0.00 0.00 54.91 54.51 1jb0 h ALA 512 Cb 0.14 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1jb0 h ALA 512 CO 0.00 0.56 -0.18 0.74 0.00 0.00 0.00 179.25 180.37 1jb0 h PHE 513 N 0.34 0.00 0.00 0.00 0.05 -1.72 -1.12 116.94 114.49 1jb0 h PHE 513 Ca 0.04 0.00 0.00 0.00 3.82 0.00 0.00 57.97 61.83 1jb0 h PHE 513 Cb 0.71 0.00 0.00 0.00 2.00 0.00 0.00 35.95 38.66 1jb0 h PHE 513 CO 0.02 0.18 0.00 0.41 -0.18 0.00 0.00 178.31 178.74 1jb0 n GLY 514 N -0.11 2.20 0.00 -1.45 0.00 -1.03 -4.49 105.19 100.32 1jb0 n GLY 514 Ca -0.00 -1.43 0.00 0.00 0.00 0.00 0.00 46.02 44.59 1jb0 n GLY 514 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 515 N -1.46 0.00 3.83 -0.02 0.00 -1.26 -4.51 105.19 101.77 1jb0 n GLY 515 Ca 0.00 -2.17 -0.35 0.00 0.00 0.00 0.00 46.02 43.50 1jb0 n GLY 515 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1jb0 s ASP 516 N -4.00 6.92 0.25 1.61 1.01 -1.26 -4.57 116.67 116.63 1jb0 s ASP 516 Ca 0.00 1.25 -0.30 0.00 0.71 0.00 0.00 52.55 54.21 1jb0 s ASP 516 Cb 0.00 -2.35 -0.10 0.00 1.01 0.00 0.00 42.92 41.47 1jb0 s ASP 516 CO 0.00 0.04 1.49 -0.69 0.21 0.00 0.00 175.17 176.22 1jb0 s VAL 517 N -1.54 2.54 -0.16 -1.27 1.01 -1.26 -4.79 120.40 114.93 1jb0 s VAL 517 Ca 0.42 0.45 0.00 0.00 0.00 0.00 0.00 61.98 62.85 1jb0 s VAL 517 Cb -0.15 -3.29 -0.00 0.00 0.00 0.00 0.00 36.38 32.94 1jb0 s VAL 517 CO 0.20 0.07 -0.15 0.68 0.00 0.00 0.00 175.10 175.90 1jb0 s VAL 518 N 0.15 2.66 0.08 2.92 -7.23 -0.62 -5.02 120.40 113.34 1jb0 s VAL 518 Ca 0.61 -0.77 0.07 0.00 -1.81 0.00 0.00 61.98 60.09 1jb0 s VAL 518 Cb -0.43 -2.13 -0.04 0.00 0.56 0.00 0.00 36.38 34.34 1jb0 s VAL 518 CO 0.42 0.51 -0.12 0.00 -0.31 0.00 0.00 175.10 175.60 1jb0 s ALA 519 N 0.89 2.86 -0.03 1.32 0.00 -1.26 -1.07 121.76 124.47 1jb0 s ALA 519 Ca -0.04 -1.22 -0.00 0.00 0.00 0.00 0.00 51.96 50.70 1jb0 s ALA 519 Cb -0.15 -0.87 0.03 0.00 0.00 0.00 0.00 23.12 22.13 1jb0 s ALA 519 CO -0.01 0.62 0.03 0.08 0.00 0.00 0.00 175.76 176.47 1jb0 s VAL 520 N -1.12 0.01 0.00 0.00 1.01 -0.56 -4.89 120.40 114.85 1jb0 s VAL 520 Ca 0.19 0.22 0.00 0.00 0.00 0.00 0.00 61.98 62.39 1jb0 s VAL 520 Cb -0.11 -0.16 0.00 0.00 0.00 0.00 0.00 36.38 36.11 1jb0 s VAL 520 CO 0.11 0.12 0.00 0.61 0.00 0.00 0.00 175.10 175.94 1jb0 n GLY 521 N 4.39 0.18 1.77 4.51 0.00 -1.26 -2.25 105.19 112.53 1jb0 n GLY 521 Ca -0.23 -0.91 -0.04 0.00 0.00 0.00 0.00 46.02 44.84 1jb0 n GLY 521 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 522 N 0.00 3.86 3.62 -0.02 0.00 -1.26 -4.97 105.19 106.42 1jb0 n GLY 522 Ca 0.00 -1.03 -0.23 0.00 0.00 0.00 0.00 46.02 44.75 1jb0 n GLY 522 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1jb0 s LYS 523 N -3.01 2.22 -0.10 1.61 -0.14 -0.96 0.30 119.74 119.67 1jb0 s LYS 523 Ca 0.53 -1.45 -0.29 0.00 -1.36 0.00 0.00 55.97 53.40 1jb0 s LYS 523 Cb 0.43 -2.12 -0.02 0.00 -1.68 0.00 0.00 37.83 34.44 1jb0 s LYS 523 CO 0.11 0.36 0.96 0.08 -0.76 0.00 0.00 175.35 176.11 1jb0 s VAL 524 N -2.32 4.83 -0.12 3.17 1.01 -0.27 -1.50 120.40 125.20 1jb0 s VAL 524 Ca 0.31 1.95 -0.10 0.00 0.00 0.00 0.00 61.98 64.14 1jb0 s VAL 524 Cb -0.06 -4.27 -0.26 0.00 0.00 0.00 0.00 36.38 31.78 1jb0 s VAL 524 CO 0.19 0.05 0.41 0.00 0.00 0.00 0.00 175.10 175.74 1jb0 h ALA 525 N 7.07 0.36 -1.27 5.51 0.00 -1.37 -3.43 119.26 126.13 1jb0 h ALA 525 Ca -0.33 -1.32 0.15 0.00 0.00 0.00 0.00 54.91 53.42 1jb0 h ALA 525 Cb 1.16 0.66 -0.31 0.00 0.00 0.00 0.00 17.79 19.31 1jb0 h ALA 525 CO 0.83 1.18 0.67 1.41 0.00 0.00 0.00 179.25 183.34 1jb0 s MET 526 N -2.54 0.21 0.22 0.00 1.75 -1.16 -4.78 119.30 113.01 1jb0 s MET 526 Ca -0.22 0.29 0.00 0.00 -1.25 0.00 0.00 55.69 54.51 1jb0 s MET 526 Cb 0.06 0.08 -0.04 0.00 2.84 0.00 0.00 34.83 37.77 1jb0 s MET 526 CO 0.76 -0.03 0.14 0.00 -0.65 0.00 0.00 175.02 175.24 1jb0 s MET 527 N 0.55 1.28 0.31 4.11 0.23 -1.26 -1.59 119.30 122.93 1jb0 s MET 527 Ca -0.00 -1.68 -0.29 0.00 -1.03 0.00 0.00 55.69 52.68 1jb0 s MET 527 Cb -0.04 0.22 -0.11 0.00 -1.53 0.00 0.00 34.83 33.37 1jb0 s MET 527 CO -0.12 -0.41 1.51 -2.14 -2.03 0.00 0.00 175.02 171.83 1jb0 s PRO 528 N -4.08 4.16 -0.46 3.16 0.02 -1.08 -4.11 135.00 132.61 1jb0 s PRO 528 Ca 0.39 2.49 -0.15 0.00 0.02 0.00 0.00 61.00 63.76 1jb0 s PRO 528 Cb 0.07 -3.03 0.07 0.00 0.02 0.00 0.00 34.50 31.63 1jb0 s PRO 528 CO 0.14 -0.53 0.37 0.42 -0.33 0.00 0.00 177.00 177.07 1jb0 s ILE 529 N -0.44 5.12 0.16 2.83 1.01 -0.42 -4.95 121.20 124.51 1jb0 s ILE 529 Ca 0.58 -1.06 -0.28 0.00 0.00 0.00 0.00 60.65 59.89 1jb0 s ILE 529 Cb -0.46 -4.04 -0.07 0.00 0.01 0.00 0.00 42.46 37.90 1jb0 s ILE 529 CO 0.52 -0.54 0.89 -0.69 0.00 0.00 0.00 174.94 175.12 1jb0 s VAL 530 N 1.62 4.34 -0.19 2.92 1.01 -1.26 -4.90 120.40 123.94 1jb0 s VAL 530 Ca 0.04 1.95 -0.04 0.00 0.00 0.00 0.00 61.98 63.93 1jb0 s VAL 530 Cb -0.24 -4.26 -0.02 0.00 0.00 0.00 0.00 36.38 31.86 1jb0 s VAL 530 CO 0.06 0.43 -0.02 -0.76 0.00 0.00 0.00 175.10 174.82 1jb0 s LEU 531 N -0.68 3.22 0.00 3.92 1.43 -1.26 -5.01 118.68 120.29 1jb0 s LEU 531 Ca 0.41 -0.20 0.00 0.00 -1.03 0.00 0.00 54.13 53.31 1jb0 s LEU 531 Cb -0.24 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.18 1jb0 s LEU 531 CO 0.29 0.09 0.00 0.61 0.23 0.00 0.00 176.35 177.57 1jb0 n GLY 532 N 4.09 6.60 0.37 -3.19 0.00 -1.26 -4.70 105.19 107.11 1jb0 n GLY 532 Ca -0.17 -1.75 0.03 0.00 0.00 0.00 0.00 46.02 44.13 1jb0 n GLY 532 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1jb0 h THR 533 N 0.00 1.08 0.00 2.61 2.02 -1.92 -0.54 112.91 116.16 1jb0 h THR 533 Ca 0.00 -0.38 -0.05 0.00 0.77 0.00 0.00 66.41 66.75 1jb0 h THR 533 Cb 0.00 -0.13 -0.01 0.00 -1.74 0.00 0.00 68.15 66.28 1jb0 h THR 533 CO 0.00 0.20 -0.25 0.00 0.37 0.00 0.00 175.52 175.84 1jb0 h ALA 534 N 1.48 1.47 0.09 6.16 0.00 -1.86 -1.46 119.26 125.13 1jb0 h ALA 534 Ca 0.41 -0.23 -0.25 0.00 0.00 0.00 0.00 54.91 54.84 1jb0 h ALA 534 Cb 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 17.92 1jb0 h ALA 534 CO -0.16 0.31 -1.15 -0.44 0.00 0.00 0.00 179.25 177.82 1jb0 h ASP 535 N 0.00 0.35 -0.72 0.00 5.19 -1.52 -2.81 116.42 116.91 1jb0 h ASP 535 Ca -0.00 -0.36 -0.03 0.00 -0.62 0.00 0.00 57.03 56.02 1jb0 h ASP 535 Cb 0.48 -0.11 -0.03 0.00 0.18 0.00 0.00 39.33 39.84 1jb0 h ASP 535 CO 0.03 1.26 0.33 0.15 -3.12 0.00 0.00 179.24 177.89 1jb0 h PHE 536 N 0.08 1.05 0.72 4.55 3.57 -0.68 -1.78 116.94 124.45 1jb0 h PHE 536 Ca -0.10 -0.06 -0.04 0.00 3.53 0.00 0.00 57.97 61.30 1jb0 h PHE 536 Cb 1.87 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 40.29 1jb0 h PHE 536 CO 0.05 0.78 -0.35 0.52 -2.23 0.00 0.00 178.31 177.09 1jb0 h MET 537 N 1.01 -0.93 -0.04 1.11 2.86 -1.23 -2.73 114.93 114.98 1jb0 h MET 537 Ca 0.24 0.06 -0.03 0.00 -2.06 0.00 0.00 59.70 57.91 1jb0 h MET 537 Cb 0.14 0.21 -0.01 0.00 0.06 0.00 0.00 31.60 32.01 1jb0 h MET 537 CO -0.03 -0.61 -0.13 -0.39 1.06 0.00 0.00 176.91 176.82 1jb0 h VAL 538 N -1.03 1.12 -0.89 -2.22 -1.51 -1.49 -2.03 116.25 108.20 1jb0 h VAL 538 Ca -0.10 -0.54 -0.02 0.00 -1.23 0.00 0.00 66.70 64.81 1jb0 h VAL 538 Cb 0.76 1.23 -0.04 0.00 -2.13 0.00 0.00 31.29 31.11 1jb0 h VAL 538 CO 0.16 0.16 0.49 0.45 -1.23 0.00 0.00 177.57 177.60 1jb0 h HIS 539 N 0.06 1.22 -0.03 5.19 -0.00 -1.23 -0.20 115.15 120.17 1jb0 h HIS 539 Ca 0.01 -0.03 -0.13 0.00 -0.00 0.00 0.00 60.37 60.23 1jb0 h HIS 539 Cb 0.27 -0.39 -0.02 0.00 -0.00 0.00 0.00 27.41 27.27 1jb0 h HIS 539 CO 0.00 0.84 -0.57 0.45 -0.00 0.00 0.00 177.93 178.65 1jb0 h HIS 540 N 1.25 0.11 -0.73 2.45 3.86 -1.08 -1.21 115.15 119.80 1jb0 h HIS 540 Ca 0.31 -0.04 -0.02 0.00 -1.16 0.00 0.00 60.37 59.46 1jb0 h HIS 540 Cb 0.02 -0.02 -0.03 0.00 1.06 0.00 0.00 27.41 28.44 1jb0 h HIS 540 CO 0.01 0.64 0.38 0.82 0.86 0.00 0.00 177.93 180.63 1jb0 h ILE 541 N 0.07 1.22 -0.30 2.45 1.08 -0.69 -0.51 117.51 120.83 1jb0 h ILE 541 Ca -0.00 -0.59 -0.08 0.00 -0.39 0.00 0.00 64.86 63.80 1jb0 h ILE 541 Cb 1.03 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 35.03 1jb0 h ILE 541 CO 0.08 0.26 -0.11 0.45 -0.69 0.00 0.00 178.15 178.14 1jb0 h HIS 542 N 1.02 0.69 -0.88 1.37 3.86 -0.30 0.30 115.15 121.22 1jb0 h HIS 542 Ca 0.26 -0.16 0.05 0.00 -1.16 0.00 0.00 60.37 59.35 1jb0 h HIS 542 Cb 0.06 -0.16 -0.05 0.00 1.06 0.00 0.00 27.41 28.32 1jb0 h HIS 542 CO 0.01 0.82 0.57 0.00 0.86 0.00 0.00 177.93 180.19 1jb0 h ALA 543 N 0.77 1.48 0.14 2.45 0.00 -0.85 -1.60 119.26 121.65 1jb0 h ALA 543 Ca 0.07 -0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.94 1jb0 h ALA 543 Cb 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1jb0 h ALA 543 CO 0.04 0.42 -0.07 0.35 0.00 0.00 0.00 179.25 179.99 1jb0 h PHE 544 N 1.06 -0.17 -0.02 0.00 3.57 -0.73 -1.30 116.94 119.36 1jb0 h PHE 544 Ca 0.36 -0.00 -0.06 0.00 3.53 0.00 0.00 57.97 61.79 1jb0 h PHE 544 Cb 0.09 0.06 -0.01 0.00 2.79 0.00 0.00 35.95 38.87 1jb0 h PHE 544 CO -0.00 0.13 -0.29 1.79 -2.23 0.00 0.00 178.31 177.71 1jb0 h THR 545 N -0.49 1.22 0.02 4.41 1.35 -0.71 -2.03 112.91 116.68 1jb0 h THR 545 Ca -0.02 -1.04 -0.00 0.00 -0.55 0.00 0.00 66.41 64.80 1jb0 h THR 545 Cb 0.39 1.54 0.00 0.00 -1.73 0.00 0.00 68.15 68.34 1jb0 h THR 545 CO 0.03 0.30 -0.01 0.40 -0.25 0.00 0.00 175.52 175.99 1jb0 h ILE 546 N 0.03 1.39 -0.80 6.82 2.04 -1.27 -2.72 117.51 123.00 1jb0 h ILE 546 Ca 0.00 -1.32 0.12 0.00 1.00 0.00 0.00 64.86 64.66 1jb0 h ILE 546 Cb 0.53 2.27 -0.06 0.00 -0.74 0.00 0.00 36.82 38.83 1jb0 h ILE 546 CO 0.04 0.34 0.52 0.45 0.00 0.00 0.00 178.15 179.50 1jb0 h HIS 547 N -0.60 0.71 -0.24 1.37 3.86 -1.01 -0.88 115.15 118.36 1jb0 h HIS 547 Ca -0.00 0.02 -0.17 0.00 -1.16 0.00 0.00 60.37 59.05 1jb0 h HIS 547 Cb 0.57 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.81 1jb0 h HIS 547 CO 0.12 0.30 -0.53 0.28 0.86 0.00 0.00 177.93 178.96 1jb0 h VAL 548 N 0.64 1.29 -0.40 2.45 2.07 -1.38 -0.04 116.25 120.88 1jb0 h VAL 548 Ca 0.38 -1.73 0.00 0.00 0.82 0.00 0.00 66.70 66.17 1jb0 h VAL 548 Cb 0.60 1.76 -0.02 0.00 -1.52 0.00 0.00 31.29 32.11 1jb0 h VAL 548 CO -0.15 0.55 0.26 0.74 0.02 0.00 0.00 177.57 179.00 1jb0 h THR 549 N 0.53 1.10 -0.02 2.57 2.02 -1.06 -0.77 112.91 117.27 1jb0 h THR 549 Ca 0.00 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.00 1jb0 h THR 549 Cb 1.14 0.52 -0.00 0.00 -1.74 0.00 0.00 68.15 68.07 1jb0 h THR 549 CO 0.12 0.10 0.01 0.58 0.37 0.00 0.00 175.52 176.69 1jb0 h VAL 550 N 0.53 1.00 -0.49 3.16 2.07 -1.12 -1.00 116.25 120.39 1jb0 h VAL 550 Ca 0.15 -0.01 0.10 0.00 0.82 0.00 0.00 66.70 67.76 1jb0 h VAL 550 Cb -0.06 0.97 -0.10 0.00 -1.52 0.00 0.00 31.29 30.59 1jb0 h VAL 550 CO -0.03 0.00 -0.26 0.25 0.02 0.00 0.00 177.57 177.55 1jb0 h LEU 551 N 0.02 -0.90 -0.28 2.57 5.85 -0.40 0.70 115.31 122.87 1jb0 h LEU 551 Ca 0.01 0.19 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 1jb0 h LEU 551 Cb 0.00 0.47 -0.01 0.00 0.37 0.00 0.00 40.66 41.49 1jb0 h LEU 551 CO -0.01 -0.27 0.17 0.40 -0.34 0.00 0.00 178.44 178.38 1jb0 h ILE 552 N -0.15 1.10 -0.14 4.05 2.04 -0.90 -0.83 117.51 122.68 1jb0 h ILE 552 Ca 0.22 -0.23 -0.23 0.00 1.00 0.00 0.00 64.86 65.62 1jb0 h ILE 552 Cb 0.50 0.75 0.01 0.00 -0.74 0.00 0.00 36.82 37.35 1jb0 h ILE 552 CO -0.58 0.10 -0.81 -0.07 0.00 0.00 0.00 178.15 176.78 1jb0 h LEU 553 N 0.35 0.95 -0.90 1.44 3.38 -0.49 -2.08 115.31 117.97 1jb0 h LEU 553 Ca 0.10 -0.64 -0.11 0.00 0.09 0.00 0.00 57.88 57.32 1jb0 h LEU 553 Cb 0.01 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.46 1jb0 h LEU 553 CO -0.02 1.44 -0.34 0.25 0.09 0.00 0.00 178.44 179.86 1jb0 h LEU 554 N 0.53 0.41 -0.63 1.67 5.85 0.38 -1.63 115.31 121.89 1jb0 h LEU 554 Ca -0.06 -0.16 -0.11 0.00 0.84 0.00 0.00 57.88 58.39 1jb0 h LEU 554 Cb 1.45 -0.11 -0.02 0.00 0.37 0.00 0.00 40.66 42.35 1jb0 h LEU 554 CO 0.17 0.73 -0.13 0.50 -0.34 0.00 0.00 178.44 179.36 1jb0 h LYS 555 N 0.34 0.94 -0.58 1.25 3.64 -1.12 0.47 116.57 121.50 1jb0 h LYS 555 Ca 0.04 -0.35 -0.03 0.00 -1.27 0.00 0.00 60.65 59.04 1jb0 h LYS 555 Cb 0.76 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.50 1jb0 h LYS 555 CO 0.06 1.00 0.25 0.78 -2.27 0.00 0.00 179.45 179.27 1jb0 h GLY 556 N 0.95 0.92 0.71 5.01 0.00 -0.87 -1.66 103.07 108.13 1jb0 h GLY 556 Ca 0.13 -0.49 -0.08 0.00 0.00 0.00 0.00 47.33 46.89 1jb0 h GLY 556 CO 0.05 0.46 -0.25 -2.08 0.00 0.00 0.00 176.54 174.72 1jb0 h VAL 557 N 0.80 1.39 0.00 4.60 2.07 -1.12 -2.34 116.25 121.64 1jb0 h VAL 557 Ca 0.20 -1.55 -0.02 0.00 0.82 0.00 0.00 66.70 66.14 1jb0 h VAL 557 Cb 0.18 2.13 -0.00 0.00 -1.52 0.00 0.00 31.29 32.08 1jb0 h VAL 557 CO -0.02 0.45 -0.11 -0.07 0.02 0.00 0.00 177.57 177.84 1jb0 h LEU 558 N -0.09 0.00 -3.06 2.57 3.38 -0.88 -3.05 115.31 114.19 1jb0 h LEU 558 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jb0 h LEU 558 Cb 0.85 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.60 1jb0 h LEU 558 CO 0.05 0.11 0.00 0.49 0.09 0.00 0.00 178.44 179.19 1jb0 n PHE 559 N -3.49 0.34 -0.29 1.13 3.01 -0.63 -4.69 117.46 112.85 1jb0 n PHE 559 Ca -0.01 -0.79 -0.03 0.00 1.01 0.00 0.00 57.45 57.63 1jb0 n PHE 559 Cb 0.26 -0.16 0.09 0.00 -0.01 0.00 0.00 39.48 39.66 1jb0 n PHE 559 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1jb0 h ALA 560 N 0.83 1.03 0.00 4.37 0.00 -1.30 -3.07 119.26 121.12 1jb0 h ALA 560 Ca 0.00 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.80 1jb0 h ALA 560 Cb 0.99 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.47 1jb0 h ALA 560 CO 0.06 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.29 1jb0 h ARG 561 N 1.04 0.00 -1.19 0.00 3.08 -1.83 -3.30 114.38 112.18 1jb0 h ARG 561 Ca 0.31 0.00 0.37 0.00 0.07 0.00 0.00 59.98 60.72 1jb0 h ARG 561 Cb -0.06 0.00 -0.13 0.00 0.08 0.00 0.00 29.97 29.86 1jb0 h ARG 561 CO -0.09 0.29 0.93 -1.54 -1.07 0.00 0.00 179.97 178.48 1jb0 s SER 562 N -6.28 -0.03 0.24 7.04 1.04 -1.16 -0.77 113.70 113.79 1jb0 s SER 562 Ca 0.04 -0.05 -0.22 0.00 0.48 0.00 0.00 55.95 56.20 1jb0 s SER 562 Cb 0.07 0.07 0.04 0.00 0.10 0.00 0.00 66.02 66.29 1jb0 s SER 562 CO 0.72 -0.12 0.81 -0.94 0.98 0.00 0.00 173.24 174.69 1jb0 s SER 563 N -2.96 -0.21 0.46 7.02 1.04 -0.96 -4.55 113.70 113.54 1jb0 s SER 563 Ca 0.14 -0.57 0.12 0.00 0.48 0.00 0.00 55.95 56.12 1jb0 s SER 563 Cb 0.06 0.65 1.03 0.00 0.10 0.00 0.00 66.02 67.87 1jb0 s SER 563 CO -0.06 -1.22 2.06 0.03 0.98 0.00 0.00 173.24 175.03 1jb0 h ARG 564 N 2.00 0.18 0.01 4.02 3.08 -1.99 -3.08 114.38 118.60 1jb0 h ARG 564 Ca -0.21 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.70 1jb0 h ARG 564 Cb 1.24 -0.04 0.01 0.00 0.08 0.00 0.00 29.97 31.27 1jb0 h ARG 564 CO 0.25 0.19 -0.45 1.25 -1.07 0.00 0.00 179.97 180.13 1jb0 h LEU 565 N 0.18 0.38 -7.23 3.04 5.85 -2.02 -3.40 115.31 112.10 1jb0 h LEU 565 Ca 0.05 -0.80 -0.63 0.00 0.84 0.00 0.00 57.88 57.34 1jb0 h LEU 565 Cb 0.11 -0.12 -0.41 0.00 0.37 0.00 0.00 40.66 40.61 1jb0 h LEU 565 CO -0.00 1.13 -0.65 -0.63 -0.34 0.00 0.00 178.44 177.95 1jb0 s ILE 566 N -3.05 2.37 0.54 4.05 -1.09 -1.17 -4.99 121.20 117.87 1jb0 s ILE 566 Ca -0.15 -3.34 0.20 0.00 -2.23 0.00 0.00 60.65 55.14 1jb0 s ILE 566 Cb 0.02 -2.63 0.30 0.00 -1.58 0.00 0.00 42.46 38.56 1jb0 s ILE 566 CO 0.78 -0.86 2.18 -0.65 -1.23 0.00 0.00 174.94 175.16 1jb0 h PRO 567 N 6.33 0.00 -0.72 2.79 0.11 -1.77 -2.49 132.00 136.24 1jb0 h PRO 567 Ca -0.02 0.00 -0.45 0.00 0.11 0.00 0.00 66.00 65.64 1jb0 h PRO 567 Cb 0.87 0.00 -0.26 0.00 0.11 0.00 0.00 31.00 31.72 1jb0 h PRO 567 CO 0.65 0.00 0.14 -0.40 -0.21 0.00 0.00 178.00 178.18 1jb0 n ASP 568 N -4.34 4.62 -0.36 -2.05 5.75 -1.26 -4.67 116.55 114.24 1jb0 n ASP 568 Ca -0.03 -3.76 0.09 0.00 -0.01 0.00 0.00 54.79 51.08 1jb0 n ASP 568 Cb 0.10 -0.70 0.26 0.00 -1.03 0.00 0.00 41.12 39.75 1jb0 n ASP 568 CO 0.00 0.00 0.00 0.50 -0.11 0.00 0.00 177.20 177.59 1jb0 h LYS 569 N 1.52 0.91 -0.39 0.11 3.64 -1.35 -0.68 116.57 120.34 1jb0 h LYS 569 Ca 0.43 -0.05 0.07 0.00 -1.27 0.00 0.00 60.65 59.83 1jb0 h LYS 569 Cb 1.61 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 1jb0 h LYS 569 CO 0.92 0.60 0.27 0.00 -2.27 0.00 0.00 179.45 178.97 1jb0 h ALA 570 N 1.57 2.10 0.00 5.00 0.00 -1.03 0.19 119.26 127.09 1jb0 h ALA 570 Ca 0.52 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.40 1jb0 h ALA 570 Cb 0.60 -0.04 -0.00 0.00 0.00 0.00 0.00 17.79 18.35 1jb0 h ALA 570 CO -0.30 -0.19 -0.10 -0.97 0.00 0.00 0.00 179.25 177.70 1jb0 h ASN 571 N 0.20 0.00 1.82 0.00 -1.24 -1.40 -1.60 115.58 113.36 1jb0 h ASN 571 Ca 0.18 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1jb0 h ASN 571 Cb 0.43 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.48 1jb0 h ASN 571 CO -0.03 0.10 -0.00 -0.07 -1.29 0.00 0.00 177.43 176.13 1jb0 h LEU 572 N 0.00 0.00 0.00 0.34 3.38 -0.60 -3.50 115.31 114.94 1jb0 h LEU 572 Ca -0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1jb0 h LEU 572 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1jb0 h LEU 572 CO 0.01 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.15 1jb0 n GLY 573 N 1.17 0.08 0.15 0.83 0.00 -0.60 -4.70 105.19 102.12 1jb0 n GLY 573 Ca 0.05 -1.98 -0.17 0.00 0.00 0.00 0.00 46.02 43.92 1jb0 n GLY 573 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 1jb0 h PHE 574 N 0.00 0.64 -3.74 1.61 3.57 -1.88 -3.43 116.94 113.70 1jb0 h PHE 574 Ca 0.00 -0.31 -0.67 0.00 3.53 0.00 0.00 57.97 60.51 1jb0 h PHE 574 Cb 0.00 -0.09 -0.37 0.00 2.79 0.00 0.00 35.95 38.29 1jb0 h PHE 574 CO 0.00 1.11 -0.72 0.50 -2.23 0.00 0.00 178.31 176.97 1jb0 s ARG 575 N -3.43 2.02 -0.12 1.11 3.52 -1.26 -2.06 118.95 118.72 1jb0 s ARG 575 Ca -0.13 -1.56 -0.26 0.00 -0.13 0.00 0.00 55.73 53.65 1jb0 s ARG 575 Cb 0.04 -3.15 0.06 0.00 -1.56 0.00 0.00 34.95 30.35 1jb0 s ARG 575 CO 0.82 -0.76 0.63 -0.59 -0.81 0.00 0.00 175.30 174.59 1jb0 s PHE 576 N 1.08 -0.63 0.37 5.12 -0.12 -1.26 -5.08 117.98 117.46 1jb0 s PHE 576 Ca 0.00 1.28 0.25 0.00 -0.05 0.00 0.00 56.93 58.42 1jb0 s PHE 576 Cb -0.20 0.31 1.31 0.00 -0.63 0.00 0.00 43.02 43.81 1jb0 s PHE 576 CO -0.05 -0.48 2.02 -1.00 -0.05 0.00 0.00 175.22 175.66 1jb0 h PRO 577 N 3.93 0.00 0.00 1.99 0.13 -1.96 -3.40 132.00 132.68 1jb0 h PRO 577 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1jb0 h PRO 577 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 1jb0 h PRO 577 CO 0.27 0.15 0.00 0.00 -0.23 0.00 0.00 178.00 178.20 1jb0 n ASP 579 N 1.06 1.71 0.00 0.00 4.64 -1.25 -5.01 116.55 117.70 1jb0 n ASP 579 Ca 0.00 -2.40 0.00 0.00 -1.38 0.00 0.00 54.79 51.01 1jb0 n ASP 579 Cb 0.00 -0.50 0.00 0.00 -1.04 0.00 0.00 41.12 39.58 1jb0 n ASP 579 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 1jb0 n GLY 580 N -0.38 -2.11 0.00 0.27 0.00 -1.26 -4.51 105.19 97.20 1jb0 n GLY 580 Ca 0.10 -1.49 0.03 0.00 0.00 0.00 0.00 46.02 44.66 1jb0 n GLY 580 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 1jb0 n PRO 581 N -2.15 0.05 -1.48 1.61 -0.04 -1.26 -2.23 135.00 129.51 1jb0 n PRO 581 Ca 0.00 0.30 -0.29 0.00 -0.04 0.00 0.00 63.50 63.46 1jb0 n PRO 581 Cb 0.00 -1.50 0.19 0.00 -0.04 0.00 0.00 33.50 32.15 1jb0 n PRO 581 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 1jb0 s GLY 582 N -2.78 1.63 -1.53 0.55 0.00 -1.26 -2.39 107.32 101.54 1jb0 s GLY 582 Ca 0.05 -0.86 -0.03 0.00 0.00 0.00 0.00 44.72 43.88 1jb0 s GLY 582 CO 0.12 -0.12 0.34 0.54 0.00 0.00 0.00 173.10 173.98 1jb0 n ARG 583 N -4.12 -3.46 0.00 2.90 1.74 -1.26 -1.01 116.66 111.44 1jb0 n ARG 583 Ca 0.11 0.85 0.00 0.00 -0.77 0.00 0.00 57.85 58.04 1jb0 n ARG 583 Cb 0.59 -5.60 0.00 0.00 -1.02 0.00 0.00 32.46 26.43 1jb0 n ARG 583 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1jb0 n GLY 584 N -1.24 2.89 0.00 -0.13 0.00 -1.25 -4.75 105.19 100.71 1jb0 n GLY 584 Ca -0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.88 1jb0 n GLY 584 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 585 N -0.93 4.29 0.56 -0.02 0.00 -0.18 -5.02 105.19 103.88 1jb0 n GLY 585 Ca 0.00 -0.89 0.06 0.00 0.00 0.00 0.00 46.02 45.19 1jb0 n GLY 585 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jb0 n THR 586 N -0.35 1.36 -1.75 2.61 -2.24 -0.94 -4.93 114.28 108.03 1jb0 n THR 586 Ca 0.00 -1.99 -0.40 0.00 -2.27 0.00 0.00 64.05 59.39 1jb0 n THR 586 Cb 0.00 0.09 0.02 0.00 -2.10 0.00 0.00 70.33 68.34 1jb0 n THR 586 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jb0 n GLN 588 N -0.13 -6.02 -0.00 0.00 6.02 -0.85 -4.92 117.38 111.47 1jb0 n GLN 588 Ca 0.05 0.82 0.10 0.00 -0.01 0.00 0.00 57.00 57.96 1jb0 n GLN 588 Cb 0.41 -5.76 -0.13 0.00 1.02 0.00 0.00 30.24 25.77 1jb0 n GLN 588 CO 0.00 0.00 0.00 1.33 -1.01 0.00 0.00 177.06 177.38 1jb0 n VAL 589 N -4.08 0.00 -1.19 5.09 0.24 -1.24 -4.77 118.33 112.38 1jb0 n VAL 589 Ca -0.27 -0.25 -0.33 0.00 -2.04 0.00 0.00 64.34 61.45 1jb0 n VAL 589 Cb 0.67 0.52 0.11 0.00 -1.47 0.00 0.00 33.84 33.67 1jb0 n VAL 589 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 1jb0 s SER 590 N -3.55 3.91 0.41 -1.34 1.04 -1.26 -4.89 113.70 108.02 1jb0 s SER 590 Ca -0.00 2.18 0.12 0.00 0.48 0.00 0.00 55.95 58.73 1jb0 s SER 590 Cb 0.14 -2.57 0.88 0.00 0.10 0.00 0.00 66.02 64.57 1jb0 s SER 590 CO 0.81 -2.45 1.95 1.23 0.98 0.00 0.00 173.24 175.76 1jb0 h GLY 591 N -0.93 0.13 0.84 7.32 0.00 -1.79 -2.22 103.07 106.42 1jb0 h GLY 591 Ca -0.45 -0.08 -0.01 0.00 0.00 0.00 0.00 47.33 46.79 1jb0 h GLY 591 CO 0.48 0.07 0.04 -0.25 0.00 0.00 0.00 176.54 176.88 1jb0 h TRP 592 N 0.12 0.21 0.00 5.60 7.01 -1.77 -2.02 115.95 125.10 1jb0 h TRP 592 Ca 0.02 -0.02 -0.01 0.00 2.11 0.00 0.00 58.89 60.99 1jb0 h TRP 592 Cb 0.35 -0.06 -0.00 0.00 -2.10 0.00 0.00 29.16 27.35 1jb0 h TRP 592 CO 0.00 0.34 -0.05 -0.44 -2.79 0.00 0.00 178.44 175.50 1jb0 h ASP 593 N 0.01 0.00 0.08 2.65 3.32 -1.70 0.81 116.42 121.59 1jb0 h ASP 593 Ca 0.04 0.00 -0.13 0.00 0.02 0.00 0.00 57.03 56.96 1jb0 h ASP 593 Cb 0.23 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.77 1jb0 h ASP 593 CO -0.00 0.05 -0.44 0.45 -1.72 0.00 0.00 179.24 177.58 1jb0 h HIS 594 N 0.00 0.53 -0.52 4.55 3.86 -0.92 -0.41 115.15 122.25 1jb0 h HIS 594 Ca -0.00 -0.16 -0.12 0.00 -1.16 0.00 0.00 60.37 58.93 1jb0 h HIS 594 Cb 0.09 -0.11 -0.02 0.00 1.06 0.00 0.00 27.41 28.43 1jb0 h HIS 594 CO 0.00 0.81 -0.14 0.28 0.86 0.00 0.00 177.93 179.74 1jb0 h VAL 595 N 0.36 1.27 0.12 2.45 2.07 -0.24 0.15 116.25 122.43 1jb0 h VAL 595 Ca 0.03 -1.30 0.02 0.00 0.82 0.00 0.00 66.70 66.27 1jb0 h VAL 595 Cb 0.92 1.03 -0.03 0.00 -1.52 0.00 0.00 31.29 31.69 1jb0 h VAL 595 CO 0.08 0.45 -0.26 0.15 0.02 0.00 0.00 177.57 178.01 1jb0 h PHE 596 N 0.87 -0.69 -0.54 1.57 3.57 -0.61 -1.09 116.94 120.03 1jb0 h PHE 596 Ca 0.13 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.55 1jb0 h PHE 596 Cb 0.71 0.29 -0.02 0.00 2.79 0.00 0.00 35.95 39.72 1jb0 h PHE 596 CO 0.05 -0.36 -0.02 -0.07 -2.23 0.00 0.00 178.31 175.68 1jb0 h LEU 597 N -0.47 0.91 -1.50 0.59 3.38 -0.94 -2.89 115.31 114.39 1jb0 h LEU 597 Ca 0.03 -0.25 0.08 0.00 0.09 0.00 0.00 57.88 57.83 1jb0 h LEU 597 Cb 0.49 -0.24 -0.04 0.00 0.09 0.00 0.00 40.66 40.96 1jb0 h LEU 597 CO -0.15 0.98 0.43 1.23 0.09 0.00 0.00 178.44 181.02 1jb0 h GLY 598 N 0.99 0.79 1.01 0.83 0.00 -0.18 -2.02 103.07 104.48 1jb0 h GLY 598 Ca 0.15 -0.24 0.01 0.00 0.00 0.00 0.00 47.33 47.25 1jb0 h GLY 598 CO 0.03 0.17 0.37 1.41 0.00 0.00 0.00 176.54 178.52 1jb0 h LEU 599 N 0.60 0.65 -1.09 3.11 3.38 -0.99 -0.61 115.31 120.36 1jb0 h LEU 599 Ca 0.29 -0.02 -0.02 0.00 0.09 0.00 0.00 57.88 58.22 1jb0 h LEU 599 Cb 0.37 -0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1jb0 h LEU 599 CO -0.09 0.47 0.34 -0.26 0.09 0.00 0.00 178.44 178.99 1jb0 h PHE 600 N 0.76 0.97 -0.02 1.13 -1.00 -1.44 -0.92 116.94 116.42 1jb0 h PHE 600 Ca 0.21 -0.03 -0.15 0.00 2.81 0.00 0.00 57.97 60.80 1jb0 h PHE 600 Cb -0.09 -0.31 -0.02 0.00 3.61 0.00 0.00 35.95 39.15 1jb0 h PHE 600 CO -0.04 0.70 -0.69 -1.49 -1.61 0.00 0.00 178.31 175.19 1jb0 h TRP 601 N 0.98 0.16 -0.57 -0.55 4.06 -1.23 -1.43 115.95 117.36 1jb0 h TRP 601 Ca 0.24 -0.07 -0.07 0.00 2.06 0.00 0.00 58.89 61.05 1jb0 h TRP 601 Cb 0.09 -0.02 -0.02 0.00 -1.00 0.00 0.00 29.16 28.20 1jb0 h TRP 601 CO 0.01 0.76 0.08 1.98 -3.56 0.00 0.00 178.44 177.72 1jb0 h MET 602 N 0.08 0.95 -0.40 0.49 4.05 -0.75 -0.51 114.93 118.84 1jb0 h MET 602 Ca -0.01 -0.26 0.00 0.00 -0.28 0.00 0.00 59.70 59.15 1jb0 h MET 602 Cb 1.22 -0.11 -0.02 0.00 -0.80 0.00 0.00 31.60 31.89 1jb0 h MET 602 CO 0.10 0.91 0.26 -0.92 0.23 0.00 0.00 176.91 177.49 1jb0 h TYR 603 N 0.84 0.50 -0.57 1.39 3.20 -0.91 0.63 116.97 122.06 1jb0 h TYR 603 Ca 0.17 0.01 0.00 0.00 3.14 0.00 0.00 58.73 62.06 1jb0 h TYR 603 Cb 0.43 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.50 1jb0 h TYR 603 CO 0.03 0.32 0.37 -0.97 -1.64 0.00 0.00 178.16 176.28 1jb0 h ASN 604 N 0.54 0.66 0.31 -2.11 -1.24 -1.00 -0.75 115.58 112.00 1jb0 h ASN 604 Ca 0.15 -0.02 -0.02 0.00 0.71 0.00 0.00 56.30 57.12 1jb0 h ASN 604 Cb -0.06 -0.16 0.00 0.00 0.73 0.00 0.00 38.32 38.83 1jb0 h ASN 604 CO -0.03 0.48 -0.15 0.00 -1.29 0.00 0.00 177.43 176.44 1jb0 h ILE 606 N -0.62 1.26 -1.00 0.00 1.08 -0.87 -2.09 117.51 115.27 1jb0 h ILE 606 Ca -0.04 -0.90 0.03 0.00 -0.39 0.00 0.00 64.86 63.56 1jb0 h ILE 606 Cb 0.45 0.43 -0.06 0.00 -3.07 0.00 0.00 36.82 34.57 1jb0 h ILE 606 CO 0.07 0.35 0.65 0.28 -0.69 0.00 0.00 178.15 178.82 1jb0 h SER 607 N 1.11 1.10 0.28 1.72 0.02 -1.13 -1.00 113.55 115.65 1jb0 h SER 607 Ca 0.24 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 61.00 1jb0 h SER 607 Cb 0.29 -0.26 -0.01 0.00 0.14 0.00 0.00 62.40 62.57 1jb0 h SER 607 CO -0.01 0.77 -0.71 0.58 -1.14 0.00 0.00 176.83 176.32 1jb0 h VAL 608 N 1.29 1.38 -0.10 2.27 2.07 -1.17 -1.40 116.25 120.60 1jb0 h VAL 608 Ca 0.39 -2.12 -0.00 0.00 0.82 0.00 0.00 66.70 65.78 1jb0 h VAL 608 Cb -0.05 2.09 -0.00 0.00 -1.52 0.00 0.00 31.29 31.81 1jb0 h VAL 608 CO -0.11 0.64 0.06 0.58 0.02 0.00 0.00 177.57 178.76 1jb0 h VAL 609 N 0.26 1.06 0.00 2.57 2.07 -0.87 0.14 116.25 121.49 1jb0 h VAL 609 Ca -0.03 -0.16 -0.12 0.00 0.82 0.00 0.00 66.70 67.22 1jb0 h VAL 609 Cb 1.27 0.98 -0.02 0.00 -1.52 0.00 0.00 31.29 32.01 1jb0 h VAL 609 CO 0.12 0.05 -0.56 0.16 0.02 0.00 0.00 177.57 177.36 1jb0 h ILE 610 N 0.10 1.26 -0.34 4.57 3.07 -1.13 0.74 117.51 125.79 1jb0 h ILE 610 Ca 0.04 -2.01 -0.16 0.00 1.55 0.00 0.00 64.86 64.28 1jb0 h ILE 610 Cb 0.03 2.12 -0.00 0.00 -0.27 0.00 0.00 36.82 38.70 1jb0 h ILE 610 CO -0.01 0.55 -0.44 -0.26 -1.05 0.00 0.00 178.15 176.94 1jb0 h PHE 611 N 0.00 1.05 0.01 0.16 -1.00 -1.13 -0.05 116.94 115.98 1jb0 h PHE 611 Ca -0.01 -0.33 -0.00 0.00 2.81 0.00 0.00 57.97 60.44 1jb0 h PHE 611 Cb 1.08 -0.21 0.00 0.00 3.61 0.00 0.00 35.95 40.42 1jb0 h PHE 611 CO 0.00 1.14 -0.00 1.25 -1.61 0.00 0.00 178.31 179.09 1jb0 h HIS 612 N 0.70 -0.01 0.45 -0.55 -0.00 -0.04 -1.33 115.15 114.36 1jb0 h HIS 612 Ca 0.05 -0.00 -0.01 0.00 -0.00 0.00 0.00 60.37 60.40 1jb0 h HIS 612 Cb 1.02 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 28.43 1jb0 h HIS 612 CO 0.06 0.01 -0.30 0.35 -0.00 0.00 0.00 177.93 178.05 1jb0 h PHE 613 N -0.02 -0.80 -0.42 5.26 3.57 -0.79 -0.75 116.94 122.99 1jb0 h PHE 613 Ca -0.00 -0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.58 1jb0 h PHE 613 Cb 0.02 0.29 -0.08 0.00 2.79 0.00 0.00 35.95 38.97 1jb0 h PHE 613 CO -0.08 -0.46 -0.10 1.03 -2.23 0.00 0.00 178.31 176.47 1jb0 h SER 614 N -0.72 -0.39 -0.40 0.41 0.87 -0.88 -1.27 113.55 111.16 1jb0 h SER 614 Ca -0.05 0.13 -0.14 0.00 -1.23 0.00 0.00 61.79 60.49 1jb0 h SER 614 Cb 0.61 0.26 -0.01 0.00 -0.44 0.00 0.00 62.40 62.82 1jb0 h SER 614 CO 0.03 -0.14 -0.32 -0.25 -0.53 0.00 0.00 176.83 175.62 1jb0 h TRP 615 N -0.00 1.09 -0.31 2.24 7.01 -1.18 -2.68 115.95 122.11 1jb0 h TRP 615 Ca 0.20 -0.31 -0.02 0.00 2.11 0.00 0.00 58.89 60.88 1jb0 h TRP 615 Cb 0.31 -0.24 -0.01 0.00 -2.10 0.00 0.00 29.16 27.12 1jb0 h TRP 615 CO -0.37 1.12 0.13 -0.22 -2.79 0.00 0.00 178.44 176.32 1jb0 h LYS 616 N 0.74 0.46 -0.31 2.65 1.63 -0.80 -1.31 116.57 119.63 1jb0 h LYS 616 Ca 0.07 -0.08 -0.05 0.00 -0.85 0.00 0.00 60.65 59.75 1jb0 h LYS 616 Cb 0.90 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 32.45 1jb0 h LYS 616 CO 0.08 0.46 0.01 0.52 -3.45 0.00 0.00 179.45 177.08 1jb0 h MET 617 N 0.36 0.54 0.00 1.90 2.86 -1.29 0.31 114.93 119.62 1jb0 h MET 617 Ca 0.11 -0.17 -0.06 0.00 -2.06 0.00 0.00 59.70 57.52 1jb0 h MET 617 Cb 0.16 -0.05 -0.01 0.00 0.06 0.00 0.00 31.60 31.76 1jb0 h MET 617 CO -0.01 0.67 -0.29 1.96 1.06 0.00 0.00 176.91 180.30 1jb0 h GLN 618 N 0.35 0.00 0.10 1.72 4.20 -1.45 0.61 115.11 120.64 1jb0 h GLN 618 Ca 0.09 0.00 -0.35 0.00 0.06 0.00 0.00 58.65 58.45 1jb0 h GLN 618 Cb 0.42 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 28.17 1jb0 h GLN 618 CO 0.01 0.29 -1.97 0.45 -0.67 0.00 0.00 178.83 176.94 1jb0 n SER 619 N -4.07 1.86 0.00 1.46 2.88 -0.50 -0.96 113.62 114.30 1jb0 n SER 619 Ca -0.02 0.23 0.00 0.00 -1.33 0.00 0.00 58.87 57.75 1jb0 n SER 619 Cb 0.35 -0.67 0.00 0.00 -0.75 0.00 0.00 64.21 63.14 1jb0 n SER 619 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1jb0 n ASP 620 N -3.38 1.05 0.00 -3.46 8.00 0.09 -1.03 116.55 117.82 1jb0 n ASP 620 Ca -0.30 -1.40 0.00 0.00 0.71 0.00 0.00 54.79 53.80 1jb0 n ASP 620 Cb 1.05 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.15 1jb0 n ASP 620 CO 0.00 0.00 0.00 0.52 -0.39 0.00 0.00 177.20 177.33 1jb0 n VAL 621 N -0.20 0.00 -1.39 2.53 0.31 -0.63 -4.84 118.33 114.11 1jb0 n VAL 621 Ca 0.00 0.00 -0.34 0.00 -0.01 0.00 0.00 64.34 63.99 1jb0 n VAL 621 Cb 0.24 -0.57 0.10 0.00 -0.91 0.00 0.00 33.84 32.70 1jb0 n VAL 621 CO 0.00 0.00 0.00 0.26 -1.32 0.00 0.00 176.83 175.77 1jb0 s TRP 622 N -0.90 2.01 -5.00 3.52 0.51 0.20 -4.83 118.94 114.46 1jb0 s TRP 622 Ca 0.00 1.61 0.00 0.00 -2.12 0.00 0.00 56.10 55.59 1jb0 s TRP 622 Cb 0.00 -3.48 0.00 0.00 -0.81 0.00 0.00 33.47 29.18 1jb0 s TRP 622 CO 0.00 -2.65 0.00 0.41 -0.51 0.00 0.00 176.95 174.20 1jb0 n GLY 623 N 0.41 -0.23 3.90 0.98 0.00 -1.26 -2.94 105.19 106.04 1jb0 n GLY 623 Ca 0.13 -1.54 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1jb0 n GLY 623 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1jb0 s THR 624 N -2.57 5.40 -0.21 2.61 -4.23 -0.08 -1.11 115.64 115.44 1jb0 s THR 624 Ca 0.00 -0.19 -0.02 0.00 -1.18 0.00 0.00 61.69 60.29 1jb0 s THR 624 Cb 0.00 -3.53 0.00 0.00 1.34 0.00 0.00 72.50 70.31 1jb0 s THR 624 CO 0.00 0.31 -0.09 -0.69 -0.54 0.00 0.00 174.62 173.61 1jb0 s VAL 625 N -1.34 2.96 0.85 2.29 1.01 0.15 -0.79 120.40 125.53 1jb0 s VAL 625 Ca 0.28 -0.67 -0.11 0.00 0.00 0.00 0.00 61.98 61.47 1jb0 s VAL 625 Cb -0.13 -2.34 0.10 0.00 0.00 0.00 0.00 36.38 34.01 1jb0 s VAL 625 CO 0.19 0.43 1.09 0.00 0.00 0.00 0.00 175.10 176.82 1jb0 s ALA 626 N 1.41 1.83 0.28 5.51 0.00 0.47 -4.78 121.76 126.48 1jb0 s ALA 626 Ca 0.05 0.02 0.02 0.00 0.00 0.00 0.00 51.96 52.05 1jb0 s ALA 626 Cb -0.14 -3.21 0.63 0.00 0.00 0.00 0.00 23.12 20.40 1jb0 s ALA 626 CO -0.06 -2.11 1.74 -1.35 0.00 0.00 0.00 175.76 173.98 1jb0 h PRO 627 N -1.38 0.55 -0.10 0.00 0.11 -2.00 0.23 132.00 129.41 1jb0 h PRO 627 Ca -0.47 -0.03 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1jb0 h PRO 627 Cb 1.27 -0.12 0.00 0.00 0.11 0.00 0.00 31.00 32.25 1jb0 h PRO 627 CO 0.54 0.36 0.00 -0.40 -0.21 0.00 0.00 178.00 178.29 1jb0 n ASP 628 N -4.91 0.61 0.00 -2.05 5.75 -1.26 -4.90 116.55 109.79 1jb0 n ASP 628 Ca 0.20 -1.89 0.00 0.00 -0.01 0.00 0.00 54.79 53.09 1jb0 n ASP 628 Cb 0.53 -0.07 0.00 0.00 -1.03 0.00 0.00 41.12 40.55 1jb0 n ASP 628 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1jb0 n GLY 629 N 0.74 1.36 3.71 6.12 0.00 0.80 -5.03 105.19 112.88 1jb0 n GLY 629 Ca 0.06 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 1jb0 n GLY 629 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1jb0 s THR 630 N -2.44 2.33 0.04 2.61 2.01 -1.26 -4.57 115.64 114.37 1jb0 s THR 630 Ca 0.00 0.11 -0.11 0.00 0.31 0.00 0.00 61.69 62.00 1jb0 s THR 630 Cb 0.00 -3.07 -0.06 0.00 0.01 0.00 0.00 72.50 69.38 1jb0 s THR 630 CO 0.00 0.01 0.38 -0.69 -0.69 0.00 0.00 174.62 173.62 1jb0 s VAL 631 N 1.78 5.12 -0.23 3.82 1.01 -1.26 -0.39 120.40 130.24 1jb0 s VAL 631 Ca 0.76 0.52 -0.02 0.00 0.00 0.00 0.00 61.98 63.25 1jb0 s VAL 631 Cb -0.47 -3.64 0.07 0.00 0.00 0.00 0.00 36.38 32.34 1jb0 s VAL 631 CO 0.33 0.39 0.04 -0.55 0.00 0.00 0.00 175.10 175.31 1jb0 s SER 632 N -1.53 3.36 0.39 3.32 0.15 0.03 -4.99 113.70 114.43 1jb0 s SER 632 Ca 0.29 -1.10 -0.21 0.00 0.70 0.00 0.00 55.95 55.63 1jb0 s SER 632 Cb -0.15 -0.75 -0.11 0.00 -1.71 0.00 0.00 66.02 63.31 1jb0 s SER 632 CO 0.16 -0.32 0.92 -1.00 1.20 0.00 0.00 173.24 174.20 1jb0 s HIS 633 N 1.73 3.40 0.33 3.44 3.76 -1.26 -0.91 115.29 125.78 1jb0 s HIS 633 Ca 0.01 1.60 0.11 0.00 -0.15 0.00 0.00 55.06 56.63 1jb0 s HIS 633 Cb -0.17 -2.83 0.91 0.00 1.11 0.00 0.00 32.58 31.60 1jb0 s HIS 633 CO -0.13 -0.02 1.74 0.82 -0.85 0.00 0.00 174.74 176.30 1jb0 h ILE 634 N 2.07 0.55 -0.04 0.60 2.04 -1.26 -1.29 117.51 120.17 1jb0 h ILE 634 Ca -0.48 -0.20 0.00 0.00 1.00 0.00 0.00 64.86 65.18 1jb0 h ILE 634 Cb 1.18 -0.07 0.00 0.00 -0.74 0.00 0.00 36.82 37.19 1jb0 h ILE 634 CO 0.62 0.10 0.00 0.35 0.00 0.00 0.00 178.15 179.23 1jb0 n THR 635 N -4.83 1.69 -3.75 -0.27 -2.24 -0.13 -4.98 114.28 99.77 1jb0 n THR 635 Ca 0.26 -1.88 -0.23 0.00 -2.27 0.00 0.00 64.05 59.94 1jb0 n THR 635 Cb 0.75 -0.04 0.02 0.00 -2.10 0.00 0.00 70.33 68.96 1jb0 n THR 635 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1jb0 n GLY 636 N -1.04 -0.35 3.52 3.38 0.00 -0.49 -3.06 105.19 107.16 1jb0 n GLY 636 Ca 0.13 0.17 -0.26 0.00 0.00 0.00 0.00 46.02 46.05 1jb0 n GLY 636 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1jb0 n GLY 637 N -1.67 -0.50 0.08 -0.02 0.00 -0.19 -4.87 105.19 98.03 1jb0 n GLY 637 Ca -0.28 0.13 0.14 0.00 0.00 0.00 0.00 46.02 46.01 1jb0 n GLY 637 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1jb0 n ASN 638 N -2.53 0.35 0.17 1.61 6.94 -1.17 -4.24 115.26 116.40 1jb0 n ASN 638 Ca -0.01 -0.45 -0.14 0.00 -0.02 0.00 0.00 54.58 53.96 1jb0 n ASN 638 Cb 0.55 -0.12 -0.07 0.00 -2.36 0.00 0.00 39.78 37.78 1jb0 n ASN 638 CO 0.00 0.00 0.00 0.15 -1.03 0.00 0.00 177.26 176.38 1jb0 h PHE 639 N 0.41 -0.55 -0.96 -2.53 3.57 -1.89 -1.01 116.94 113.99 1jb0 h PHE 639 Ca 0.00 -0.00 0.19 0.00 3.53 0.00 0.00 57.97 61.69 1jb0 h PHE 639 Cb 0.34 0.21 -0.11 0.00 2.79 0.00 0.00 35.95 39.18 1jb0 h PHE 639 CO 0.00 -0.32 0.55 0.00 -2.23 0.00 0.00 178.31 176.31 1jb0 h ALA 640 N 0.21 1.56 0.00 2.41 0.00 -1.98 0.33 119.26 121.80 1jb0 h ALA 640 Ca -0.01 0.09 0.00 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 640 Cb 0.43 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.18 1jb0 h ALA 640 CO -0.02 -0.10 -1.46 1.04 0.00 0.00 0.00 179.25 178.72 1jb0 n GLN 641 N -4.83 0.33 -0.10 0.00 1.13 -1.20 -4.50 117.38 108.21 1jb0 n GLN 641 Ca 0.22 -0.09 -0.11 0.00 -1.94 0.00 0.00 57.00 55.08 1jb0 n GLN 641 Cb 0.56 -1.52 -0.15 0.00 0.11 0.00 0.00 30.24 29.24 1jb0 n GLN 641 CO 0.00 0.00 0.00 0.43 -1.44 0.00 0.00 177.06 176.05 1jb0 n SER 642 N -1.89 0.29 -0.33 1.08 7.64 -0.39 -4.43 113.62 115.59 1jb0 n SER 642 Ca 0.00 -0.02 0.01 0.00 1.01 0.00 0.00 58.87 59.87 1jb0 n SER 642 Cb 0.45 0.82 0.03 0.00 -1.01 0.00 0.00 64.21 64.49 1jb0 n SER 642 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1jb0 n ALA 643 N -2.81 2.54 0.00 -0.43 0.00 0.11 -3.59 120.51 116.34 1jb0 n ALA 643 Ca -0.34 -0.11 0.08 0.00 0.00 0.00 0.00 53.44 53.06 1jb0 n ALA 643 Cb 1.13 -1.00 0.17 0.00 0.00 0.00 0.00 19.45 19.75 1jb0 n ALA 643 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1jb0 n ILE 644 N -0.17 0.72 -4.09 0.00 -5.35 -1.26 -4.94 119.36 104.27 1jb0 n ILE 644 Ca 0.02 -0.86 -0.10 0.00 -0.27 0.00 0.00 62.75 61.54 1jb0 n ILE 644 Cb 0.17 0.73 -0.11 0.00 -1.74 0.00 0.00 39.64 38.69 1jb0 n ILE 644 CO 0.00 0.00 0.00 0.42 -1.76 0.00 0.00 176.55 175.21 1jb0 s THR 645 N -1.08 0.45 0.25 7.28 -4.23 -1.24 -4.61 115.64 112.48 1jb0 s THR 645 Ca 0.28 -1.50 0.08 0.00 -1.18 0.00 0.00 61.69 59.37 1jb0 s THR 645 Cb 0.16 -1.11 -0.04 0.00 1.34 0.00 0.00 72.50 72.85 1jb0 s THR 645 CO 0.21 -0.70 1.58 0.40 -0.54 0.00 0.00 174.62 175.57 1jb0 h ILE 646 N 3.72 1.43 -0.57 2.99 1.08 -1.89 -2.73 117.51 121.54 1jb0 h ILE 646 Ca -0.35 -2.10 0.00 0.00 -0.39 0.00 0.00 64.86 62.03 1jb0 h ILE 646 Cb 1.18 2.11 -0.03 0.00 -3.07 0.00 0.00 36.82 37.01 1jb0 h ILE 646 CO 0.54 0.61 0.37 -1.13 -0.69 0.00 0.00 178.15 177.85 1jb0 h ASN 647 N 0.07 0.66 -0.42 1.72 -0.00 -1.94 -0.44 115.58 115.23 1jb0 h ASN 647 Ca -0.01 -0.02 -0.05 0.00 -0.00 0.00 0.00 56.30 56.22 1jb0 h ASN 647 Cb 1.12 -0.17 -0.02 0.00 -0.00 0.00 0.00 38.32 39.26 1jb0 h ASN 647 CO 0.09 0.49 0.07 1.23 -0.00 0.00 0.00 177.43 179.31 1jb0 h GLY 648 N 0.79 0.75 1.71 1.57 0.00 -1.60 -0.45 103.07 105.84 1jb0 h GLY 648 Ca 0.21 -0.50 -0.10 0.00 0.00 0.00 0.00 47.33 46.94 1jb0 h GLY 648 CO -0.04 0.46 -0.33 1.49 0.00 0.00 0.00 176.54 178.12 1jb0 h TRP 649 N 0.56 0.38 -0.16 5.60 4.06 -1.30 0.58 115.95 125.67 1jb0 h TRP 649 Ca 0.13 -0.09 -0.06 0.00 2.06 0.00 0.00 58.89 60.93 1jb0 h TRP 649 Cb 0.37 -0.09 -0.00 0.00 -1.00 0.00 0.00 29.16 28.43 1jb0 h TRP 649 CO 0.03 0.63 -0.14 1.25 -3.56 0.00 0.00 178.44 176.65 1jb0 h LEU 650 N 0.29 0.39 0.00 -4.49 5.85 -0.76 -1.39 115.31 115.21 1jb0 h LEU 650 Ca 0.04 -0.47 0.00 0.00 0.84 0.00 0.00 57.88 58.29 1jb0 h LEU 650 Cb 0.73 -0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.65 1jb0 h LEU 650 CO 0.06 0.78 -0.15 -0.09 -0.34 0.00 0.00 178.44 178.70 1jb0 h ARG 651 N 0.02 0.00 0.00 1.25 2.43 -1.03 -0.60 114.38 116.44 1jb0 h ARG 651 Ca 0.03 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 1jb0 h ARG 651 Cb 0.66 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 1jb0 h ARG 651 CO 0.04 0.00 0.00 -0.25 -1.51 0.00 0.00 179.97 178.25 1jb0 n ASP 652 N -4.62 0.67 -0.00 -3.80 10.43 0.19 -1.23 116.55 118.18 1jb0 n ASP 652 Ca -0.02 0.58 -0.00 0.00 2.57 0.00 0.00 54.79 57.92 1jb0 n ASP 652 Cb 0.08 -0.75 -0.00 0.00 1.84 0.00 0.00 41.12 42.28 1jb0 n ASP 652 CO 0.00 0.00 0.00 0.33 -1.07 0.00 0.00 177.20 176.46 1jb0 n PHE 653 N -2.14 0.00 0.05 1.24 7.35 -1.16 -4.50 117.46 118.30 1jb0 n PHE 653 Ca 0.05 0.00 -0.13 0.00 -0.76 0.00 0.00 57.45 56.61 1jb0 n PHE 653 Cb 0.38 -0.01 -0.09 0.00 0.35 0.00 0.00 39.48 40.11 1jb0 n PHE 653 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1jb0 h LEU 654 N -0.02 -0.14 0.20 -2.13 3.38 -1.29 -1.58 115.31 113.72 1jb0 h LEU 654 Ca 0.00 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.62 1jb0 h LEU 654 Cb 0.02 0.04 0.00 0.00 0.09 0.00 0.00 40.66 40.81 1jb0 h LEU 654 CO 0.00 0.29 -0.09 -0.25 0.09 0.00 0.00 178.44 178.47 1jb0 h TRP 655 N -0.61 -0.24 0.04 1.13 7.01 -1.13 -1.70 115.95 120.45 1jb0 h TRP 655 Ca -0.02 -0.01 -0.00 0.00 2.11 0.00 0.00 58.89 60.97 1jb0 h TRP 655 Cb 0.47 0.08 0.00 0.00 -2.10 0.00 0.00 29.16 27.61 1jb0 h TRP 655 CO 0.06 -0.09 -0.02 0.00 -2.79 0.00 0.00 178.44 175.60 1jb0 h ALA 656 N 0.45 -0.06 0.00 2.65 0.00 -1.28 -3.18 119.26 117.84 1jb0 h ALA 656 Ca -0.03 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1jb0 h ALA 656 Cb 0.27 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.08 1jb0 h ALA 656 CO 0.04 -0.43 0.00 1.04 0.00 0.00 0.00 179.25 179.91 1jb0 n GLN 657 N -5.01 0.39 0.00 0.00 6.02 -0.59 -2.39 117.38 115.80 1jb0 n GLN 657 Ca -0.08 0.01 0.15 0.00 -0.01 0.00 0.00 57.00 57.07 1jb0 n GLN 657 Cb 0.14 -1.50 0.65 0.00 1.02 0.00 0.00 30.24 30.56 1jb0 n GLN 657 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1jb0 n ALA 658 N -1.30 2.70 -0.30 -1.58 0.00 -0.64 -3.94 120.51 115.45 1jb0 n ALA 658 Ca 0.13 -0.32 0.05 0.00 0.00 0.00 0.00 53.44 53.30 1jb0 n ALA 658 Cb 0.24 -1.31 0.20 0.00 0.00 0.00 0.00 19.45 18.58 1jb0 n ALA 658 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1jb0 h SER 659 N 1.11 0.66 0.44 0.00 0.87 -1.56 -2.46 113.55 112.61 1jb0 h SER 659 Ca 0.00 0.07 -0.02 0.00 -1.23 0.00 0.00 61.79 60.60 1jb0 h SER 659 Cb 0.32 -0.06 0.00 0.00 -0.44 0.00 0.00 62.40 62.23 1jb0 h SER 659 CO 0.00 0.34 -0.21 1.56 -0.53 0.00 0.00 176.83 177.98 1jb0 h GLN 660 N 0.76 -0.57 -0.99 2.24 7.50 -1.83 -2.46 115.11 119.75 1jb0 h GLN 660 Ca 0.44 0.04 0.14 0.00 0.50 0.00 0.00 58.65 59.77 1jb0 h GLN 660 Cb 0.50 0.13 -0.09 0.00 0.05 0.00 0.00 27.48 28.07 1jb0 h GLN 660 CO -0.30 -0.29 0.62 -0.24 -1.50 0.00 0.00 178.83 177.13 1jb0 h VAL 661 N -1.05 0.84 0.00 -0.54 3.04 -1.79 -0.42 116.25 116.34 1jb0 h VAL 661 Ca -0.06 -0.31 0.00 0.00 -1.01 0.00 0.00 66.70 65.32 1jb0 h VAL 661 Cb 0.54 -0.13 0.00 0.00 -2.01 0.00 0.00 31.29 29.70 1jb0 h VAL 661 CO 0.10 0.16 -0.02 0.16 -1.01 0.00 0.00 177.57 176.96 1jb0 h ILE 662 N 0.89 0.00 -0.68 3.17 3.07 -1.52 -3.10 117.51 119.34 1jb0 h ILE 662 Ca 0.52 -0.74 0.00 0.00 1.55 0.00 0.00 64.86 66.19 1jb0 h ILE 662 Cb 0.64 1.72 0.00 0.00 -0.27 0.00 0.00 36.82 38.92 1jb0 h ILE 662 CO -0.29 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.42 1jb0 n GLY 663 N 1.21 2.60 0.00 0.16 0.00 -0.28 -4.46 105.19 104.42 1jb0 n GLY 663 Ca 0.05 -0.78 0.14 0.00 0.00 0.00 0.00 46.02 45.43 1jb0 n GLY 663 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jb0 n SER 664 N 1.43 0.00 -4.77 1.61 3.41 -0.53 -4.88 113.62 109.90 1jb0 n SER 664 Ca 0.24 0.23 -0.41 0.00 -0.26 0.00 0.00 58.87 58.67 1jb0 n SER 664 Cb 0.67 -0.41 0.01 0.00 -0.26 0.00 0.00 64.21 64.22 1jb0 n SER 664 CO 0.00 0.00 0.00 -1.22 -0.16 0.00 0.00 175.04 173.66 1jb0 n TYR 665 N -1.41 2.83 -1.07 7.33 4.02 -1.26 -2.29 117.16 125.32 1jb0 n TYR 665 Ca 0.10 0.45 -0.01 0.00 -0.01 0.00 0.00 57.90 58.43 1jb0 n TYR 665 Cb 0.29 -2.50 -0.00 0.00 -0.02 0.00 0.00 39.34 37.10 1jb0 n TYR 665 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1jb0 n GLY 666 N 0.52 0.44 3.10 2.72 0.00 -1.26 -4.94 105.19 105.77 1jb0 n GLY 666 Ca 0.03 -1.05 -0.16 0.00 0.00 0.00 0.00 46.02 44.84 1jb0 n GLY 666 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1jb0 n SER 667 N 1.86 -0.96 0.09 1.61 3.41 -1.06 -5.03 113.62 113.53 1jb0 n SER 667 Ca -0.01 -2.94 0.11 0.00 -0.26 0.00 0.00 58.87 55.78 1jb0 n SER 667 Cb 0.05 1.97 0.45 0.00 -0.26 0.00 0.00 64.21 66.42 1jb0 n SER 667 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jb0 n ALA 668 N -0.83 1.83 0.96 7.33 0.00 -1.25 -2.37 120.51 126.18 1jb0 n ALA 668 Ca -0.12 0.02 0.12 0.00 0.00 0.00 0.00 53.44 53.46 1jb0 n ALA 668 Cb 0.56 -1.38 0.31 0.00 0.00 0.00 0.00 19.45 18.94 1jb0 n ALA 668 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jb0 n LEU 669 N -2.03 2.36 0.32 0.00 4.77 -1.26 -4.25 117.00 116.91 1jb0 n LEU 669 Ca 0.03 -0.94 0.20 0.00 -0.03 0.00 0.00 56.01 55.27 1jb0 n LEU 669 Cb 0.26 -0.12 1.08 0.00 -2.33 0.00 0.00 43.42 42.31 1jb0 n LEU 669 CO 0.21 0.47 1.16 0.77 -1.33 0.00 0.00 177.39 178.68 1jb0 h SER 670 N 3.25 0.00 -0.46 -1.43 4.64 -1.07 0.01 113.55 118.48 1jb0 h SER 670 Ca 0.00 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.25 1jb0 h SER 670 Cb 0.71 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.77 1jb0 h SER 670 CO 0.00 0.00 0.05 0.00 -0.87 0.00 0.00 176.83 176.01 1jb0 h ALA 671 N 1.92 1.11 -0.16 5.18 0.00 -1.84 -1.14 119.26 124.33 1jb0 h ALA 671 Ca 0.01 -0.25 -0.04 0.00 0.00 0.00 0.00 54.91 54.63 1jb0 h ALA 671 Cb 0.10 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1jb0 h ALA 671 CO -0.00 0.58 -0.05 1.88 0.00 0.00 0.00 179.25 181.66 1jb0 h TYR 672 N 0.80 0.36 -0.62 0.00 -1.99 -1.32 0.42 116.97 114.62 1jb0 h TYR 672 Ca 0.16 -0.08 0.09 0.00 2.00 0.00 0.00 58.73 60.90 1jb0 h TYR 672 Cb 0.40 -0.09 -0.04 0.00 2.00 0.00 0.00 36.73 39.01 1jb0 h TYR 672 CO 0.02 0.60 0.41 0.78 -0.00 0.00 0.00 178.16 179.98 1jb0 h GLY 673 N 0.02 0.67 0.37 3.88 0.00 -1.34 0.41 103.07 107.08 1jb0 h GLY 673 Ca 0.04 -0.20 -0.01 0.00 0.00 0.00 0.00 47.33 47.15 1jb0 h GLY 673 CO 0.02 0.13 -0.05 1.41 0.00 0.00 0.00 176.54 178.05 1jb0 h LEU 674 N 0.50 0.06 -1.64 3.11 3.38 -0.89 -3.08 115.31 116.74 1jb0 h LEU 674 Ca 0.28 -0.68 -0.04 0.00 0.09 0.00 0.00 57.88 57.53 1jb0 h LEU 674 Cb 0.45 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.18 1jb0 h LEU 674 CO -0.08 0.73 -0.18 -0.07 0.09 0.00 0.00 178.44 178.92 1jb0 h LEU 675 N -0.61 0.00 -0.16 1.67 4.07 -0.43 -0.52 115.31 119.33 1jb0 h LEU 675 Ca -0.00 0.00 0.03 0.00 0.08 0.00 0.00 57.88 57.99 1jb0 h LEU 675 Cb 0.73 0.00 -0.03 0.00 1.08 0.00 0.00 40.66 42.44 1jb0 h LEU 675 CO 0.01 0.18 -0.05 0.15 -1.08 0.00 0.00 178.44 177.65 1jb0 h PHE 676 N 0.00 -0.12 -0.33 1.13 3.57 -0.20 0.37 116.94 121.37 1jb0 h PHE 676 Ca -0.00 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1jb0 h PHE 676 Cb 0.32 0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.13 1jb0 h PHE 676 CO 0.00 -0.09 -0.39 -0.07 -2.23 0.00 0.00 178.31 175.53 1jb0 h LEU 677 N -0.02 0.85 -0.13 0.59 3.38 -1.36 -2.48 115.31 116.13 1jb0 h LEU 677 Ca 0.08 -0.39 0.03 0.00 0.09 0.00 0.00 57.88 57.70 1jb0 h LEU 677 Cb 0.14 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.62 1jb0 h LEU 677 CO -0.18 1.14 -0.07 1.23 0.09 0.00 0.00 178.44 180.66 1jb0 h GLY 678 N 0.89 0.05 1.02 0.83 0.00 -0.36 -1.49 103.07 104.01 1jb0 h GLY 678 Ca 0.05 0.08 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 1jb0 h GLY 678 CO 0.09 -0.08 0.33 0.00 0.00 0.00 0.00 176.54 176.88 1jb0 h ALA 679 N 1.06 0.95 -0.83 3.60 0.00 -0.27 -1.36 119.26 122.42 1jb0 h ALA 679 Ca 0.07 -0.16 0.06 0.00 0.00 0.00 0.00 54.91 54.88 1jb0 h ALA 679 Cb 0.16 -0.29 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 1jb0 h ALA 679 CO -0.17 0.54 0.54 0.45 0.00 0.00 0.00 179.25 180.61 1jb0 h HIS 680 N 1.04 0.94 -0.01 0.00 -0.00 -1.02 -1.13 115.15 114.96 1jb0 h HIS 680 Ca 0.25 0.02 -0.00 0.00 -0.00 0.00 0.00 60.37 60.64 1jb0 h HIS 680 Cb 0.15 -0.31 -0.00 0.00 -0.00 0.00 0.00 27.41 27.26 1jb0 h HIS 680 CO 0.01 0.50 -0.00 0.35 -0.00 0.00 0.00 177.93 178.79 1jb0 h PHE 681 N 0.93 0.02 -0.57 2.45 3.57 -0.55 -2.15 116.94 120.64 1jb0 h PHE 681 Ca 0.35 -0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.84 1jb0 h PHE 681 Cb 0.19 -0.01 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1jb0 h PHE 681 CO -0.00 0.36 0.32 0.82 -2.23 0.00 0.00 178.31 177.58 1jb0 h ILE 682 N -0.32 1.17 -0.30 1.41 2.04 -0.93 -0.16 117.51 120.42 1jb0 h ILE 682 Ca 0.00 -0.41 -0.03 0.00 1.00 0.00 0.00 64.86 65.42 1jb0 h ILE 682 Cb 0.35 0.39 -0.01 0.00 -0.74 0.00 0.00 36.82 36.81 1jb0 h ILE 682 CO 0.00 0.19 0.08 -0.25 0.00 0.00 0.00 178.15 178.17 1jb0 h TRP 683 N 0.79 0.49 -0.11 1.37 7.01 -1.10 -1.92 115.95 122.48 1jb0 h TRP 683 Ca 0.20 -0.05 -0.11 0.00 2.11 0.00 0.00 58.89 61.04 1jb0 h TRP 683 Cb 0.00 -0.14 -0.01 0.00 -2.10 0.00 0.00 29.16 26.91 1jb0 h TRP 683 CO 0.00 0.52 -0.44 0.00 -2.79 0.00 0.00 178.44 175.74 1jb0 h ALA 684 N 0.92 1.06 -0.80 2.65 0.00 -1.01 -2.73 119.26 119.34 1jb0 h ALA 684 Ca 0.10 -0.43 -0.02 0.00 0.00 0.00 0.00 54.91 54.55 1jb0 h ALA 684 Cb 0.27 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 1jb0 h ALA 684 CO -0.00 0.61 0.41 0.35 0.00 0.00 0.00 179.25 180.63 1jb0 h PHE 685 N 0.21 1.12 0.00 0.00 3.04 -0.82 -1.81 116.94 118.69 1jb0 h PHE 685 Ca 0.02 -0.04 -0.02 0.00 3.98 0.00 0.00 57.97 61.91 1jb0 h PHE 685 Cb 0.86 -0.35 -0.00 0.00 2.56 0.00 0.00 35.95 39.02 1jb0 h PHE 685 CO 0.02 0.79 -0.10 0.66 -2.02 0.00 0.00 178.31 177.66 1jb0 h SER 686 N 1.13 0.00 0.17 0.41 4.64 -1.03 -1.93 113.55 116.95 1jb0 h SER 686 Ca 0.28 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.58 1jb0 h SER 686 Cb 0.07 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.15 1jb0 h SER 686 CO -0.04 0.10 -0.08 -0.07 -0.87 0.00 0.00 176.83 175.87 1jb0 h LEU 687 N 0.00 0.00 -0.66 5.97 3.38 -1.35 -2.04 115.31 120.61 1jb0 h LEU 687 Ca -0.00 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1jb0 h LEU 687 Cb 0.30 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.03 1jb0 h LEU 687 CO 0.01 0.08 0.24 -0.03 0.09 0.00 0.00 178.44 178.83 1jb0 h MET 688 N 0.00 1.01 -0.04 1.13 4.05 -1.45 -0.81 114.93 118.83 1jb0 h MET 688 Ca -0.00 -0.20 -0.24 0.00 -0.28 0.00 0.00 59.70 58.98 1jb0 h MET 688 Cb 0.19 -0.16 0.01 0.00 -0.80 0.00 0.00 31.60 30.85 1jb0 h MET 688 CO 0.01 0.86 -0.94 0.74 0.23 0.00 0.00 176.91 177.82 1jb0 h PHE 689 N 0.95 0.89 -0.00 1.39 -1.00 -1.54 -3.11 116.94 114.51 1jb0 h PHE 689 Ca 0.22 -0.46 -0.15 0.00 2.81 0.00 0.00 57.97 60.39 1jb0 h PHE 689 Cb 0.25 -0.11 -0.02 0.00 3.61 0.00 0.00 35.95 39.68 1jb0 h PHE 689 CO 0.02 1.28 -0.68 -0.07 -1.61 0.00 0.00 178.31 177.25 1jb0 h LEU 690 N 0.37 0.03 0.00 1.54 3.38 -1.26 -3.29 115.31 116.09 1jb0 h LEU 690 Ca -0.09 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.86 1jb0 h LEU 690 Cb 1.57 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 42.31 1jb0 h LEU 690 CO 0.18 0.70 -0.82 0.49 0.09 0.00 0.00 178.44 179.08 1jb0 n PHE 691 N -3.74 0.33 -3.25 1.13 3.72 -0.32 -4.96 117.46 110.38 1jb0 n PHE 691 Ca -0.01 0.10 0.00 0.00 -0.05 0.00 0.00 57.45 57.48 1jb0 n PHE 691 Cb 0.67 -0.48 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 1jb0 n PHE 691 CO 0.00 0.00 0.00 -1.13 -0.05 0.00 0.00 176.76 175.58 1jb0 n SER 692 N -1.95 1.07 -3.79 4.37 3.41 -1.18 -5.09 113.62 110.47 1jb0 n SER 692 Ca 0.03 -0.71 -0.12 0.00 -0.26 0.00 0.00 58.87 57.81 1jb0 n SER 692 Cb 0.42 0.00 -0.08 0.00 -0.26 0.00 0.00 64.21 64.29 1jb0 n SER 692 CO 0.00 0.00 0.00 -0.83 -0.16 0.00 0.00 175.04 174.05 1jb0 s GLY 693 N -1.17 -0.09 0.57 5.00 0.00 -1.26 -4.96 107.32 105.40 1jb0 s GLY 693 Ca 0.00 0.09 0.27 0.00 0.00 0.00 0.00 44.72 45.08 1jb0 s GLY 693 CO 0.00 -0.10 2.05 0.07 0.00 0.00 0.00 173.10 175.12 1jb0 h ARG 694 N 3.69 0.00 -0.93 2.90 0.11 -1.92 -2.64 114.38 115.59 1jb0 h ARG 694 Ca -0.31 0.00 0.06 0.00 0.10 0.00 0.00 59.98 59.83 1jb0 h ARG 694 Cb 1.19 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 32.20 1jb0 h ARG 694 CO 0.43 0.00 0.59 0.78 0.10 0.00 0.00 179.97 181.87 1jb0 h GLY 695 N 0.00 1.39 0.93 0.08 0.00 -1.97 -0.27 103.07 103.22 1jb0 h GLY 695 Ca 0.14 -0.44 -0.04 0.00 0.00 0.00 0.00 47.33 46.99 1jb0 h GLY 695 CO -0.00 0.32 0.07 -1.82 0.00 0.00 0.00 176.54 175.11 1jb0 h TYR 696 N 1.09 0.67 -0.50 5.60 3.20 -1.92 -3.05 116.97 122.07 1jb0 h TYR 696 Ca 0.39 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 62.06 1jb0 h TYR 696 Cb 0.13 -0.19 -0.02 0.00 1.54 0.00 0.00 36.73 38.20 1jb0 h TYR 696 CO -0.02 0.67 -0.15 -1.49 -1.64 0.00 0.00 178.16 175.53 1jb0 h TRP 697 N 0.48 1.08 -0.74 -3.82 4.06 -1.52 -2.27 115.95 113.24 1jb0 h TRP 697 Ca 0.12 -0.23 -0.03 0.00 2.06 0.00 0.00 58.89 60.80 1jb0 h TRP 697 Cb 0.35 -0.26 -0.03 0.00 -1.00 0.00 0.00 29.16 28.21 1jb0 h TRP 697 CO 0.02 1.03 0.33 0.37 -3.56 0.00 0.00 178.44 176.64 1jb0 h GLN 698 N 0.85 1.07 -0.12 0.49 5.75 -1.10 0.06 115.11 122.11 1jb0 h GLN 698 Ca 0.13 -0.16 -0.14 0.00 -0.15 0.00 0.00 58.65 58.33 1jb0 h GLN 698 Cb 0.70 -0.19 -0.01 0.00 1.07 0.00 0.00 27.48 29.05 1jb0 h GLN 698 CO 0.05 0.84 -0.51 0.93 -2.65 0.00 0.00 178.83 177.49 1jb0 h GLU 699 N 1.05 0.34 -0.24 1.69 5.08 -1.40 -1.51 114.58 119.59 1jb0 h GLU 699 Ca 0.25 -0.20 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 1jb0 h GLU 699 Cb 0.14 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 1jb0 h GLU 699 CO -0.03 0.78 -0.05 1.25 -1.00 0.00 0.00 179.01 179.95 1jb0 h LEU 700 N 0.27 0.46 -1.76 1.33 5.85 -0.87 -2.39 115.31 118.20 1jb0 h LEU 700 Ca 0.01 -0.36 0.09 0.00 0.84 0.00 0.00 57.88 58.45 1jb0 h LEU 700 Cb 1.00 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 1jb0 h LEU 700 CO 0.09 0.72 0.33 0.40 -0.34 0.00 0.00 178.44 179.63 1jb0 h ILE 701 N 0.20 0.90 -0.12 4.05 2.04 -0.83 -2.03 117.51 121.72 1jb0 h ILE 701 Ca 0.06 -0.10 0.01 0.00 1.00 0.00 0.00 64.86 65.83 1jb0 h ILE 701 Cb 0.51 0.59 -0.01 0.00 -0.74 0.00 0.00 36.82 37.18 1jb0 h ILE 701 CO 0.02 0.05 0.06 -0.33 0.00 0.00 0.00 178.15 177.95 1jb0 h GLU 702 N 0.28 0.13 -0.21 2.37 5.08 -0.74 0.53 114.58 122.02 1jb0 h GLU 702 Ca 0.22 -0.01 -0.04 0.00 -1.00 0.00 0.00 59.36 58.53 1jb0 h GLU 702 Cb 0.51 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.72 1jb0 h GLU 702 CO -0.05 0.08 -0.06 0.77 -1.00 0.00 0.00 179.01 178.75 1jb0 h SER 703 N 0.13 0.29 -0.08 1.42 0.02 -1.30 -1.63 113.55 112.41 1jb0 h SER 703 Ca 0.05 -0.05 -0.17 0.00 -0.84 0.00 0.00 61.79 60.77 1jb0 h SER 703 Cb 0.00 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 62.48 1jb0 h SER 703 CO -0.03 0.40 -0.62 0.40 -1.14 0.00 0.00 176.83 175.84 1jb0 h ILE 704 N 0.30 1.35 -0.58 3.27 2.04 -0.81 -2.92 117.51 120.17 1jb0 h ILE 704 Ca 0.07 -1.94 0.04 0.00 1.00 0.00 0.00 64.86 64.03 1jb0 h ILE 704 Cb 0.31 2.26 -0.03 0.00 -0.74 0.00 0.00 36.82 38.61 1jb0 h ILE 704 CO 0.01 0.59 0.39 0.58 0.00 0.00 0.00 178.15 179.72 1jb0 h VAL 705 N 0.17 1.05 -0.27 1.67 2.07 0.30 -1.61 116.25 119.63 1jb0 h VAL 705 Ca -0.05 -0.22 0.00 0.00 0.82 0.00 0.00 66.70 67.24 1jb0 h VAL 705 Cb 1.28 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 1jb0 h VAL 705 CO 0.13 0.12 0.18 -0.25 0.02 0.00 0.00 177.57 177.76 1jb0 h TRP 706 N 0.65 0.35 -0.72 1.57 7.01 -1.17 -1.08 115.95 122.56 1jb0 h TRP 706 Ca 0.24 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.30 1jb0 h TRP 706 Cb 0.13 -0.12 -0.04 0.00 -2.10 0.00 0.00 29.16 27.03 1jb0 h TRP 706 CO -0.00 0.23 0.47 0.00 -2.79 0.00 0.00 178.44 176.35 1jb0 h ALA 707 N 1.09 1.66 -0.08 2.65 0.00 -1.11 0.39 119.26 123.86 1jb0 h ALA 707 Ca 0.10 -0.03 -0.18 0.00 0.00 0.00 0.00 54.91 54.81 1jb0 h ALA 707 Cb -0.03 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.54 1jb0 h ALA 707 CO -0.02 0.24 -0.71 0.45 0.00 0.00 0.00 179.25 179.21 1jb0 h HIS 708 N 0.79 0.50 -0.01 0.00 3.86 -1.12 -2.86 115.15 116.30 1jb0 h HIS 708 Ca 0.30 -0.22 -0.11 0.00 -1.16 0.00 0.00 60.37 59.18 1jb0 h HIS 708 Cb 0.18 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.56 1jb0 h HIS 708 CO -0.00 0.96 -0.53 -0.91 0.86 0.00 0.00 177.93 178.31 1jb0 h ASN 709 N 0.26 0.04 0.73 2.45 2.35 -0.22 0.73 115.58 121.92 1jb0 h ASN 709 Ca -0.03 -0.02 -0.03 0.00 -0.55 0.00 0.00 56.30 55.68 1jb0 h ASN 709 Cb 1.27 -0.01 -0.00 0.00 0.05 0.00 0.00 38.32 39.63 1jb0 h ASN 709 CO 0.12 0.56 -0.12 0.50 -1.65 0.00 0.00 177.43 176.84 1jb0 h LYS 710 N 0.03 0.00 -0.11 0.81 1.63 -0.74 -2.79 116.57 115.41 1jb0 h LYS 710 Ca -0.00 0.00 -0.04 0.00 -0.85 0.00 0.00 60.65 59.76 1jb0 h LYS 710 Cb 0.95 0.00 -0.02 0.00 -0.60 0.00 0.00 32.23 32.55 1jb0 h LYS 710 CO 0.07 0.12 -0.21 1.28 -3.45 0.00 0.00 179.45 177.27 1jb0 n LEU 711 N -3.36 3.06 -3.92 5.20 4.77 -0.91 -4.97 117.00 116.87 1jb0 n LEU 711 Ca -0.01 -3.55 -0.31 0.00 -0.03 0.00 0.00 56.01 52.11 1jb0 n LEU 711 Cb 0.32 -0.53 -0.03 0.00 -2.33 0.00 0.00 43.42 40.85 1jb0 n LEU 711 CO 0.30 1.10 -0.05 0.29 -1.33 0.00 0.00 177.39 177.70 1jb0 n LYS 712 N -1.14 -2.73 -0.13 3.23 5.02 -0.67 -4.83 118.16 116.91 1jb0 n LYS 712 Ca 0.22 0.32 0.07 0.00 -2.02 0.00 0.00 58.31 56.90 1jb0 n LYS 712 Cb 0.78 -5.00 0.13 0.00 -0.02 0.00 0.00 35.03 30.91 1jb0 n LYS 712 CO 0.00 0.00 0.00 1.33 -0.52 0.00 0.00 177.40 178.21 1jb0 n VAL 713 N -4.05 1.69 -2.62 -0.18 0.24 0.25 -5.00 118.33 108.66 1jb0 n VAL 713 Ca 0.06 -1.81 -0.41 0.00 -2.04 0.00 0.00 64.34 60.14 1jb0 n VAL 713 Cb 0.50 -0.01 -0.05 0.00 -1.47 0.00 0.00 33.84 32.80 1jb0 n VAL 713 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1jb0 s ALA 714 N -2.29 3.33 0.77 2.33 0.00 -1.14 -4.88 121.76 119.89 1jb0 s ALA 714 Ca 0.26 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.82 1jb0 s ALA 714 Cb 0.21 -3.30 0.05 0.00 0.00 0.00 0.00 23.12 20.09 1jb0 s ALA 714 CO 0.04 -0.06 1.11 -1.25 0.00 0.00 0.00 175.76 175.60 1jb0 s PRO 715 N -0.57 2.30 0.14 0.00 0.04 -1.26 -4.97 135.00 130.68 1jb0 s PRO 715 Ca 0.46 0.51 0.11 0.00 0.04 0.00 0.00 61.00 62.12 1jb0 s PRO 715 Cb -0.27 -1.95 -0.13 0.00 0.04 0.00 0.00 34.50 32.18 1jb0 s PRO 715 CO 0.34 -1.44 1.21 0.00 0.04 0.00 0.00 177.00 177.14 1jb0 h ALA 716 N -0.95 0.52 -1.50 8.56 0.00 -1.96 -3.39 119.26 120.54 1jb0 h ALA 716 Ca -0.46 -0.85 -0.61 0.00 0.00 0.00 0.00 54.91 52.99 1jb0 h ALA 716 Cb 1.27 -0.01 -0.12 0.00 0.00 0.00 0.00 17.79 18.93 1jb0 h ALA 716 CO 0.62 1.09 0.94 0.42 0.00 0.00 0.00 179.25 182.32 1jb0 s ILE 717 N -2.78 4.12 0.05 0.00 1.01 -1.26 -4.79 121.20 117.55 1jb0 s ILE 717 Ca 0.01 -0.41 -0.34 0.00 0.00 0.00 0.00 60.65 59.92 1jb0 s ILE 717 Cb 0.09 -4.85 -0.12 0.00 0.01 0.00 0.00 42.46 37.59 1jb0 s ILE 717 CO 0.80 -1.69 1.75 0.00 0.00 0.00 0.00 174.94 175.80 1jb0 n GLN 718 N 8.27 2.27 -2.00 2.79 6.02 -1.17 -4.51 117.38 129.05 1jb0 n GLN 718 Ca 0.10 0.83 -0.42 0.00 -0.01 0.00 0.00 57.00 57.50 1jb0 n GLN 718 Cb 0.48 -2.65 -0.03 0.00 1.02 0.00 0.00 30.24 29.07 1jb0 n GLN 718 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 177.06 173.91 1jb0 s PRO 719 N 2.53 4.20 0.04 -1.09 0.02 -1.26 -0.87 135.00 138.57 1jb0 s PRO 719 Ca 0.85 2.22 0.09 0.00 0.02 0.00 0.00 61.00 64.18 1jb0 s PRO 719 Cb -0.65 -3.82 -0.03 0.00 0.02 0.00 0.00 34.50 30.02 1jb0 s PRO 719 CO 0.43 -0.78 -0.25 1.03 -0.33 0.00 0.00 177.00 177.10 1jb0 s ARG 720 N 3.42 1.71 0.84 5.54 1.81 -1.26 -4.91 118.95 126.10 1jb0 s ARG 720 Ca 0.73 -1.05 -0.11 0.00 -1.72 0.00 0.00 55.73 53.58 1jb0 s ARG 720 Cb -0.35 -1.85 0.10 0.00 -0.45 0.00 0.00 34.95 32.40 1jb0 s ARG 720 CO 0.30 0.48 1.15 0.00 -0.68 0.00 0.00 175.30 176.55 1jb0 s ALA 721 N -0.78 1.81 0.80 2.13 0.00 -1.26 -4.79 121.76 119.66 1jb0 s ALA 721 Ca 0.10 0.58 -0.13 0.00 0.00 0.00 0.00 51.96 52.51 1jb0 s ALA 721 Cb -0.10 -3.41 0.08 0.00 0.00 0.00 0.00 23.12 19.69 1jb0 s ALA 721 CO 0.02 -2.32 1.21 -0.51 0.00 0.00 0.00 175.76 174.15 1jb0 s LEU 722 N -6.11 3.16 0.90 0.00 1.43 -1.26 -4.92 118.68 111.88 1jb0 s LEU 722 Ca 0.67 2.36 -0.12 0.00 -1.03 0.00 0.00 54.13 56.02 1jb0 s LEU 722 Cb -0.23 -4.59 0.13 0.00 0.03 0.00 0.00 46.19 41.54 1jb0 s LEU 722 CO 0.55 -2.62 1.09 -0.94 0.23 0.00 0.00 176.35 174.65 1jb0 s SER 723 N -2.15 3.42 0.23 2.29 1.04 -1.26 -4.75 113.70 112.53 1jb0 s SER 723 Ca 0.73 1.48 -0.07 0.00 0.48 0.00 0.00 55.95 58.57 1jb0 s SER 723 Cb -0.29 -2.16 0.26 0.00 0.10 0.00 0.00 66.02 63.94 1jb0 s SER 723 CO 0.50 -2.67 1.87 0.40 0.98 0.00 0.00 173.24 174.33 1jb0 h ILE 724 N -1.57 1.13 -0.47 -1.02 2.04 -2.00 -0.73 117.51 114.90 1jb0 h ILE 724 Ca -0.50 -0.36 -0.11 0.00 1.00 0.00 0.00 64.86 64.89 1jb0 h ILE 724 Cb 1.29 -0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 37.33 1jb0 h ILE 724 CO 0.55 0.19 -0.15 0.40 0.00 0.00 0.00 178.15 179.14 1jb0 h ILE 725 N 1.06 1.27 -0.65 -0.67 1.08 -1.96 -3.00 117.51 114.63 1jb0 h ILE 725 Ca 0.34 -1.29 -0.05 0.00 -0.39 0.00 0.00 64.86 63.47 1jb0 h ILE 725 Cb 0.02 1.13 -0.03 0.00 -3.07 0.00 0.00 36.82 34.87 1jb0 h ILE 725 CO -0.12 0.44 0.23 -0.61 -0.69 0.00 0.00 178.15 177.40 1jb0 h GLN 726 N 0.77 1.00 -0.96 2.37 4.15 -1.76 -1.08 115.11 119.60 1jb0 h GLN 726 Ca 0.11 -0.20 0.19 0.00 0.77 0.00 0.00 58.65 59.52 1jb0 h GLN 726 Cb 0.71 -0.15 -0.11 0.00 0.21 0.00 0.00 27.48 28.14 1jb0 h GLN 726 CO 0.05 0.86 0.56 0.78 -1.93 0.00 0.00 178.83 179.15 1jb0 h GLY 727 N 0.94 1.70 1.07 2.39 0.00 -1.05 0.33 103.07 108.45 1jb0 h GLY 727 Ca 0.21 -0.32 -0.17 0.00 0.00 0.00 0.00 47.33 47.05 1jb0 h GLY 727 CO -0.01 -0.09 -0.52 3.21 0.00 0.00 0.00 176.54 179.12 1jb0 h ARG 728 N 0.69 0.77 -0.62 4.80 3.08 -1.23 -0.93 114.38 120.95 1jb0 h ARG 728 Ca 0.56 -0.51 -0.05 0.00 0.07 0.00 0.00 59.98 60.04 1jb0 h ARG 728 Cb 0.90 0.07 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1jb0 h ARG 728 CO -0.40 1.14 0.18 0.00 -1.07 0.00 0.00 179.97 179.82 1jb0 h ALA 729 N 0.63 0.81 -0.03 0.04 0.00 0.08 0.08 119.26 120.87 1jb0 h ALA 729 Ca 0.00 -0.21 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1jb0 h ALA 729 Cb 1.13 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1jb0 h ALA 729 CO 0.11 0.49 0.00 0.28 0.00 0.00 0.00 179.25 180.14 1jb0 h VAL 730 N 0.89 1.22 -0.15 0.00 2.07 -0.39 -1.43 116.25 118.47 1jb0 h VAL 730 Ca 0.20 -0.67 0.03 0.00 0.82 0.00 0.00 66.70 67.08 1jb0 h VAL 730 Cb 0.31 1.61 -0.03 0.00 -1.52 0.00 0.00 31.29 31.66 1jb0 h VAL 730 CO -0.00 0.18 -0.02 1.23 0.02 0.00 0.00 177.57 178.97 1jb0 h GLY 731 N -0.21 0.12 1.96 2.17 0.00 -1.00 -1.54 103.07 104.57 1jb0 h GLY 731 Ca 0.01 0.04 -0.08 0.00 0.00 0.00 0.00 47.33 47.29 1jb0 h GLY 731 CO 0.00 -0.04 -0.37 -0.24 0.00 0.00 0.00 176.54 175.89 1jb0 h VAL 732 N 0.02 1.27 -0.35 4.60 3.04 -0.98 -0.49 116.25 123.37 1jb0 h VAL 732 Ca 0.07 -1.29 -0.12 0.00 -1.01 0.00 0.00 66.70 64.34 1jb0 h VAL 732 Cb 0.10 1.66 -0.01 0.00 -2.01 0.00 0.00 31.29 31.03 1jb0 h VAL 732 CO -0.14 0.37 -0.26 0.00 -1.01 0.00 0.00 177.57 176.54 1jb0 h ALA 733 N 1.59 0.50 -0.04 3.17 0.00 -0.91 -1.32 119.26 122.25 1jb0 h ALA 733 Ca 0.00 -0.39 -0.18 0.00 0.00 0.00 0.00 54.91 54.34 1jb0 h ALA 733 Cb 0.67 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1jb0 h ALA 733 CO 0.05 0.50 -0.78 0.45 0.00 0.00 0.00 179.25 179.47 1jb0 h HIS 734 N 0.57 0.40 -0.24 0.00 3.86 -1.11 -0.41 115.15 118.23 1jb0 h HIS 734 Ca 0.07 -0.19 -0.01 0.00 -1.16 0.00 0.00 60.37 59.07 1jb0 h HIS 734 Cb 0.82 -0.06 -0.01 0.00 1.06 0.00 0.00 27.41 29.23 1jb0 h HIS 734 CO 0.06 0.96 0.10 -0.92 0.86 0.00 0.00 177.93 178.99 1jb0 h TYR 735 N 0.18 0.36 -0.19 2.45 3.20 -1.04 -0.27 116.97 121.66 1jb0 h TYR 735 Ca -0.04 -0.03 -0.03 0.00 3.14 0.00 0.00 58.73 61.78 1jb0 h TYR 735 Cb 1.37 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 39.52 1jb0 h TYR 735 CO 0.04 0.38 0.02 -0.07 -1.64 0.00 0.00 178.16 176.88 1jb0 h LEU 736 N 0.23 0.32 -0.30 2.82 3.38 -1.17 -0.55 115.31 120.04 1jb0 h LEU 736 Ca 0.08 -0.29 0.01 0.00 0.09 0.00 0.00 57.88 57.77 1jb0 h LEU 736 Cb 0.17 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 1jb0 h LEU 736 CO -0.01 0.53 0.19 0.25 0.09 0.00 0.00 178.44 179.48 1jb0 h LEU 737 N 0.10 0.31 -0.37 1.67 5.85 -0.97 -0.39 115.31 121.52 1jb0 h LEU 737 Ca 0.06 -0.00 -0.05 0.00 0.84 0.00 0.00 57.88 58.72 1jb0 h LEU 737 Cb 0.35 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.30 1jb0 h LEU 737 CO 0.01 0.23 0.03 1.23 -0.34 0.00 0.00 178.44 179.60 1jb0 h GLY 738 N 0.38 0.68 0.66 3.75 0.00 -1.03 -0.51 103.07 107.00 1jb0 h GLY 738 Ca 0.11 -0.48 -0.00 0.00 0.00 0.00 0.00 47.33 46.96 1jb0 h GLY 738 CO -0.04 0.44 -0.00 -1.33 0.00 0.00 0.00 176.54 175.61 1jb0 h GLY 739 N 0.46 -0.01 1.03 4.60 0.00 -0.92 -0.94 103.07 107.29 1jb0 h GLY 739 Ca 0.11 0.00 -0.08 0.00 0.00 0.00 0.00 47.33 47.36 1jb0 h GLY 739 CO 0.01 -0.00 0.04 -2.22 0.00 0.00 0.00 176.54 174.37 1jb0 h ILE 740 N -0.35 1.26 -0.85 2.60 2.04 -1.12 -2.40 117.51 118.70 1jb0 h ILE 740 Ca -0.00 -1.06 -0.01 0.00 1.00 0.00 0.00 64.86 64.79 1jb0 h ILE 740 Cb 0.34 0.85 -0.04 0.00 -0.74 0.00 0.00 36.82 37.24 1jb0 h ILE 740 CO 0.00 0.38 0.50 0.00 0.00 0.00 0.00 178.15 179.03 1jb0 h ALA 741 N 0.98 1.08 -0.20 1.87 0.00 -1.07 -0.65 119.26 121.26 1jb0 h ALA 741 Ca 0.16 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.99 1jb0 h ALA 741 Cb 0.49 -0.34 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1jb0 h ALA 741 CO 0.02 0.55 0.08 1.15 0.00 0.00 0.00 179.25 181.06 1jb0 h THR 742 N 1.16 0.97 -0.50 0.00 2.02 -0.99 -0.85 112.91 114.74 1jb0 h THR 742 Ca 0.30 -0.07 -0.05 0.00 0.77 0.00 0.00 66.41 67.37 1jb0 h THR 742 Cb -0.03 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.12 1jb0 h THR 742 CO -0.06 0.03 0.12 0.74 0.37 0.00 0.00 175.52 176.73 1jb0 h THR 743 N 0.19 1.21 0.54 3.16 2.02 -0.97 -2.07 112.91 116.99 1jb0 h THR 743 Ca 0.08 -0.77 -0.02 0.00 0.77 0.00 0.00 66.41 66.48 1jb0 h THR 743 Cb 0.04 0.70 -0.01 0.00 -1.74 0.00 0.00 68.15 67.14 1jb0 h THR 743 CO -0.07 0.28 -0.33 -0.25 0.37 0.00 0.00 175.52 175.52 1jb0 h TRP 744 N 0.73 -0.88 -0.13 3.16 7.01 -0.53 0.28 115.95 125.60 1jb0 h TRP 744 Ca 0.16 -0.01 0.04 0.00 2.11 0.00 0.00 58.89 61.20 1jb0 h TRP 744 Cb 0.27 0.31 -0.05 0.00 -2.10 0.00 0.00 29.16 27.60 1jb0 h TRP 744 CO 0.01 -0.51 -0.15 0.00 -2.79 0.00 0.00 178.44 175.01 1jb0 h ALA 745 N -0.43 -0.07 -0.20 2.65 0.00 -1.01 -1.38 119.26 118.82 1jb0 h ALA 745 Ca -0.06 0.05 0.06 0.00 0.00 0.00 0.00 54.91 54.95 1jb0 h ALA 745 Cb 0.67 0.30 -0.07 0.00 0.00 0.00 0.00 17.79 18.70 1jb0 h ALA 745 CO 0.06 -0.60 -0.26 0.35 0.00 0.00 0.00 179.25 178.80 1jb0 h PHE 746 N -0.18 -0.70 0.62 0.00 3.57 -1.22 -0.40 116.94 118.63 1jb0 h PHE 746 Ca 0.09 0.04 -0.03 0.00 3.53 0.00 0.00 57.97 61.60 1jb0 h PHE 746 Cb 0.32 0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.39 1jb0 h PHE 746 CO -0.26 -0.34 -0.36 0.74 -2.23 0.00 0.00 178.31 175.86 1jb0 h PHE 747 N -0.29 -0.95 -0.40 0.41 -1.00 -0.11 -1.91 116.94 112.68 1jb0 h PHE 747 Ca 0.12 -0.01 -0.02 0.00 2.81 0.00 0.00 57.97 60.87 1jb0 h PHE 747 Cb 0.48 0.33 -0.02 0.00 3.61 0.00 0.00 35.95 40.35 1jb0 h PHE 747 CO -0.39 -0.56 0.17 -0.07 -1.61 0.00 0.00 178.31 175.85 1jb0 h LEU 748 N -0.92 0.55 -1.11 1.54 3.38 -1.20 -0.73 115.31 116.81 1jb0 h LEU 748 Ca -0.08 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.76 1jb0 h LEU 748 Cb 0.74 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.30 1jb0 h LEU 748 CO 0.09 0.56 0.60 0.00 0.09 0.00 0.00 178.44 179.79 1jb0 h ALA 749 N 1.01 1.39 0.63 1.53 0.00 -1.09 -1.92 119.26 120.82 1jb0 h ALA 749 Ca 0.14 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.96 1jb0 h ALA 749 Cb 0.18 -0.34 0.01 0.00 0.00 0.00 0.00 17.79 17.64 1jb0 h ALA 749 CO -0.01 0.53 -0.30 -0.09 0.00 0.00 0.00 179.25 179.38 1jb0 h ARG 750 N 1.18 -0.82 0.00 0.00 9.65 -0.80 -3.01 114.38 120.58 1jb0 h ARG 750 Ca 0.36 0.06 -0.07 0.00 -1.10 0.00 0.00 59.98 59.22 1jb0 h ARG 750 Cb -0.04 0.19 -0.01 0.00 -1.39 0.00 0.00 29.97 28.72 1jb0 h ARG 750 CO -0.10 -0.54 -0.35 0.97 2.80 0.00 0.00 179.97 182.75 1jb0 h ILE 751 N -1.06 0.77 -0.04 1.20 6.09 -1.16 -2.15 117.51 121.17 1jb0 h ILE 751 Ca -0.09 -1.50 -0.15 0.00 -1.37 0.00 0.00 64.86 61.76 1jb0 h ILE 751 Cb 0.65 1.95 -0.01 0.00 0.47 0.00 0.00 36.82 39.88 1jb0 h ILE 751 CO 0.14 0.34 -0.65 0.40 -3.07 0.00 0.00 178.15 175.31 1jb0 h ILE 752 N 0.00 1.42 0.00 2.19 2.04 -1.47 -0.24 117.51 121.45 1jb0 h ILE 752 Ca -0.00 -2.13 -0.06 0.00 1.00 0.00 0.00 64.86 63.67 1jb0 h ILE 752 Cb 0.92 2.11 -0.01 0.00 -0.74 0.00 0.00 36.82 39.11 1jb0 h ILE 752 CO 0.04 0.62 -0.28 -1.28 0.00 0.00 0.00 178.15 177.25 1jb0 h SER 753 N 0.13 0.00 0.00 1.72 0.87 -1.35 -3.37 113.55 111.55 1jb0 h SER 753 Ca -0.01 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.55 1jb0 h SER 753 Cb 1.17 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 1jb0 h SER 753 CO 0.10 0.26 0.00 1.33 -0.53 0.00 0.00 176.83 177.99 1jb0 n VAL 754 N -3.16 0.51 -0.26 2.23 0.24 -0.83 -5.10 118.33 111.96 1jb0 n VAL 754 Ca 0.03 -0.54 0.00 0.00 -2.04 0.00 0.00 64.34 61.79 1jb0 n VAL 754 Cb 0.64 0.79 0.00 0.00 -1.47 0.00 0.00 33.84 33.80 1jb0 n VAL 754 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30