#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2j18 h PRO 2 N 0.00 0.52 0.00 3.49 0.13 -1.92 -0.11 132.00 134.11 2j18 h PRO 2 Ca 0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 2j18 h PRO 2 Cb 0.00 -0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.01 2j18 h PRO 2 CO 0.00 0.34 0.00 0.41 -0.23 0.00 0.00 178.00 178.52 2j18 n GLY 3 N -1.33 -1.32 0.24 1.56 0.00 -1.26 -3.38 105.19 99.70 2j18 n GLY 3 Ca 0.18 0.07 0.08 0.00 0.00 0.00 0.00 46.02 46.35 2j18 n GLY 3 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2j18 h SER 4 N 0.00 0.00 -0.38 1.61 4.64 -1.44 -3.46 113.55 114.52 2j18 h SER 4 Ca 0.00 0.00 -0.17 0.00 -0.47 0.00 0.00 61.79 61.15 2j18 h SER 4 Cb 0.40 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.43 2j18 h SER 4 CO 0.00 0.18 -0.15 0.61 -0.87 0.00 0.00 176.83 176.60 2j18 n GLY 5 N -0.80 0.84 0.37 -0.77 0.00 -1.22 -4.90 105.19 98.71 2j18 n GLY 5 Ca -0.02 -0.07 0.09 0.00 0.00 0.00 0.00 46.02 46.02 2j18 n GLY 5 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2j18 h ILE 6 N 0.00 0.91 0.00 -0.61 2.04 -1.88 -2.31 117.51 115.67 2j18 h ILE 6 Ca -0.17 -0.26 0.00 0.00 1.00 0.00 0.00 64.86 65.43 2j18 h ILE 6 Cb 0.99 0.08 0.00 0.00 -0.74 0.00 0.00 36.82 37.15 2j18 h ILE 6 CO 0.24 0.14 -0.27 0.61 0.00 0.00 0.00 178.15 178.87 2j18 n GLY 7 N -1.43 -1.39 3.77 5.37 0.00 -1.26 -4.93 105.19 105.32 2j18 n GLY 7 Ca 0.15 -0.22 -0.41 0.00 0.00 0.00 0.00 46.02 45.55 2j18 n GLY 7 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 2j18 s TYR 8 N -3.01 3.20 -0.38 1.61 5.04 -0.87 -0.27 117.35 122.67 2j18 s TYR 8 Ca 0.12 1.49 0.12 0.00 -2.44 0.00 0.00 57.07 56.36 2j18 s TYR 8 Cb 0.18 -3.57 0.72 0.00 0.35 0.00 0.00 41.96 39.64 2j18 s TYR 8 CO 0.62 -1.49 1.59 -0.35 -1.34 0.00 0.00 175.55 174.58 2j18 n PRO 9 N 0.95 4.38 0.06 4.97 -0.04 -1.26 -4.88 135.00 139.18 2j18 n PRO 9 Ca -0.00 -2.75 -0.21 0.00 -0.04 0.00 0.00 63.50 60.50 2j18 n PRO 9 Cb 0.43 -2.16 -0.15 0.00 -0.04 0.00 0.00 33.50 31.58 2j18 n PRO 9 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2j18 h TYR 10 N 3.50 0.63 -3.33 0.54 0.05 -1.30 -3.43 116.97 113.64 2j18 h TYR 10 Ca 0.00 -0.46 -0.53 0.00 0.05 0.00 0.00 58.73 57.79 2j18 h TYR 10 Cb 1.78 -0.03 -0.40 0.00 1.01 0.00 0.00 36.73 39.10 2j18 h TYR 10 CO 0.95 1.61 -0.77 0.34 -1.05 0.00 0.00 178.16 179.24 2j18 s ASP 11 N -7.18 3.10 -0.01 3.88 -1.08 0.63 -4.95 116.67 111.05 2j18 s ASP 11 Ca -0.15 -0.91 0.17 0.00 -0.52 0.00 0.00 52.55 51.15 2j18 s ASP 11 Cb 0.06 -0.70 0.51 0.00 -1.46 0.00 0.00 42.92 41.33 2j18 s ASP 11 CO 0.85 -0.30 1.42 0.59 0.52 0.00 0.00 175.17 178.25 2j18 n ASN 12 N 4.98 3.11 -3.00 -0.34 3.02 -1.26 -3.01 115.26 118.76 2j18 n ASN 12 Ca -0.09 -2.04 -0.15 0.00 -0.03 0.00 0.00 54.58 52.27 2j18 n ASN 12 Cb 0.46 -0.39 0.01 0.00 -0.61 0.00 0.00 39.78 39.26 2j18 n ASN 12 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 2j18 n ASN 13 N 1.12 -0.56 -4.89 6.41 4.13 -1.26 -5.04 115.26 115.17 2j18 n ASN 13 Ca 0.19 -3.25 -0.29 0.00 1.68 0.00 0.00 54.58 52.92 2j18 n ASN 13 Cb 0.50 0.42 0.02 0.00 -1.54 0.00 0.00 39.78 39.18 2j18 n ASN 13 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 2j18 s THR 14 N -1.20 4.30 0.08 3.41 -4.23 -1.26 -5.05 115.64 111.70 2j18 s THR 14 Ca 0.33 0.42 0.06 0.00 -1.18 0.00 0.00 61.69 61.32 2j18 s THR 14 Cb 0.31 -3.70 -0.03 0.00 1.34 0.00 0.00 72.50 70.41 2j18 s THR 14 CO -0.08 -0.82 -0.16 -0.76 -0.54 0.00 0.00 174.62 172.26 2j18 s LEU 15 N -5.05 2.29 0.69 4.79 1.43 -1.26 -3.62 118.68 117.94 2j18 s LEU 15 Ca 0.53 -0.65 -0.12 0.00 -1.03 0.00 0.00 54.13 52.86 2j18 s LEU 15 Cb -0.11 -0.61 0.01 0.00 0.03 0.00 0.00 46.19 45.51 2j18 s LEU 15 CO 0.49 -0.05 1.07 -2.16 0.23 0.00 0.00 176.35 175.94 2j18 s PRO 16 N -1.85 2.83 0.23 1.29 0.04 -1.26 -4.53 135.00 131.75 2j18 s PRO 16 Ca 0.01 1.13 -0.30 0.00 0.04 0.00 0.00 61.00 61.87 2j18 s PRO 16 Cb -0.10 -1.97 -0.10 0.00 0.04 0.00 0.00 34.50 32.37 2j18 s PRO 16 CO 0.03 -1.19 1.47 -0.47 0.04 0.00 0.00 177.00 176.87 2j18 s TYR 17 N -2.77 3.03 -0.07 0.56 6.14 -0.11 -4.36 117.35 119.77 2j18 s TYR 17 Ca 0.61 0.94 -0.00 0.00 0.64 0.00 0.00 57.07 59.26 2j18 s TYR 17 Cb -0.16 -3.85 0.02 0.00 0.42 0.00 0.00 41.96 38.40 2j18 s TYR 17 CO 0.49 -2.84 -0.04 0.08 0.64 0.00 0.00 175.55 173.88 2j18 s VAL 18 N 0.26 0.62 0.48 3.14 1.01 -0.06 -4.23 120.40 121.62 2j18 s VAL 18 Ca 0.62 -0.09 -0.24 0.00 0.00 0.00 0.00 61.98 62.27 2j18 s VAL 18 Cb -0.42 -0.69 -0.07 0.00 0.00 0.00 0.00 36.38 35.20 2j18 s VAL 18 CO 0.41 0.28 1.41 0.00 0.00 0.00 0.00 175.10 177.19 2j18 s ALA 19 N 1.47 3.10 0.41 5.51 0.00 -1.26 -4.65 121.76 126.33 2j18 s ALA 19 Ca -0.02 1.43 -0.25 0.00 0.00 0.00 0.00 51.96 53.12 2j18 s ALA 19 Cb -0.13 -3.58 -0.08 0.00 0.00 0.00 0.00 23.12 19.32 2j18 s ALA 19 CO -0.03 -1.26 1.21 -1.25 0.00 0.00 0.00 175.76 174.42 2j18 s PRO 20 N -2.61 4.00 0.57 0.00 0.04 -1.26 -5.04 135.00 130.70 2j18 s PRO 20 Ca 0.65 1.94 -0.01 0.00 0.04 0.00 0.00 61.00 63.62 2j18 s PRO 20 Cb -0.43 -2.69 0.03 0.00 0.04 0.00 0.00 34.50 31.45 2j18 s PRO 20 CO 0.54 -0.39 0.82 0.20 0.04 0.00 0.00 177.00 178.20 2j18 s GLY 21 N -1.01 1.73 0.58 0.56 0.00 -1.26 -4.92 107.32 102.99 2j18 s GLY 21 Ca 0.57 -1.12 0.28 0.00 0.00 0.00 0.00 44.72 44.45 2j18 s GLY 21 CO 0.42 -0.83 2.06 -2.55 0.00 0.00 0.00 173.10 172.19 2j18 h PRO 22 N -0.04 0.00 -0.00 2.90 0.11 -1.96 -1.04 132.00 131.96 2j18 h PRO 22 Ca -0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.67 2j18 h PRO 22 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 2j18 h PRO 22 CO 0.56 0.00 -0.65 0.25 -0.21 0.00 0.00 178.00 177.95 2j18 n THR 23 N -3.87 0.00 -2.37 -1.15 -2.24 -1.26 -4.58 114.28 98.81 2j18 n THR 23 Ca 0.03 -0.07 -0.38 0.00 -2.27 0.00 0.00 64.05 61.36 2j18 n THR 23 Cb 0.40 0.77 -0.03 0.00 -2.10 0.00 0.00 70.33 69.38 2j18 n THR 23 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 2j18 s ASP 24 N -2.82 6.59 -0.14 3.42 1.01 -0.39 -5.02 116.67 119.32 2j18 s ASP 24 Ca 0.13 2.26 -0.20 0.00 0.71 0.00 0.00 52.55 55.46 2j18 s ASP 24 Cb 0.17 -2.61 -0.04 0.00 1.01 0.00 0.00 42.92 41.46 2j18 s ASP 24 CO 0.71 -0.62 0.55 -0.55 0.21 0.00 0.00 175.17 175.48 2j18 s SER 25 N -1.25 6.72 0.29 0.27 0.15 0.01 -4.45 113.70 115.44 2j18 s SER 25 Ca 0.57 0.86 0.07 0.00 0.70 0.00 0.00 55.95 58.14 2j18 s SER 25 Cb -0.28 -2.32 -0.06 0.00 -1.71 0.00 0.00 66.02 61.65 2j18 s SER 25 CO 0.35 -0.11 -0.05 -0.13 1.20 0.00 0.00 173.24 174.51 2j18 s ARG 26 N 1.09 1.60 0.45 5.44 1.81 -1.26 -3.84 118.95 124.24 2j18 s ARG 26 Ca 0.28 -1.82 0.08 0.00 -1.72 0.00 0.00 55.73 52.55 2j18 s ARG 26 Cb -0.16 -1.19 0.00 0.00 -0.45 0.00 0.00 34.95 33.15 2j18 s ARG 26 CO 0.12 0.02 0.45 0.00 -0.68 0.00 0.00 175.30 175.21 2j18 s ALA 27 N -3.00 4.25 -2.03 2.13 0.00 -1.26 -2.85 121.76 119.00 2j18 s ALA 27 Ca 0.31 -1.81 0.15 0.00 0.00 0.00 0.00 51.96 50.61 2j18 s ALA 27 Cb 0.04 -1.13 0.83 0.00 0.00 0.00 0.00 23.12 22.86 2j18 s ALA 27 CO 0.13 -0.32 1.54 -0.35 0.00 0.00 0.00 175.76 176.76 2j18 n PRO 28 N -1.69 1.10 -3.92 0.00 -0.04 -1.26 -4.68 135.00 124.51 2j18 n PRO 28 Ca 0.05 -0.15 -0.36 0.00 -0.04 0.00 0.00 63.50 63.01 2j18 n PRO 28 Cb 0.62 -1.24 -0.12 0.00 -0.04 0.00 0.00 33.50 32.71 2j18 n PRO 28 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2j18 h PRO 30 N 7.60 0.00 0.17 0.00 0.13 -1.95 -1.85 132.00 136.10 2j18 h PRO 30 Ca -0.37 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.75 2j18 h PRO 30 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2j18 h PRO 30 CO 0.62 0.28 -0.08 0.00 -0.23 0.00 0.00 178.00 178.58 2j18 h ALA 31 N 1.72 -0.23 -0.95 -0.56 0.00 -1.94 -2.14 119.26 115.16 2j18 h ALA 31 Ca -0.00 -0.22 0.06 0.00 0.00 0.00 0.00 54.91 54.74 2j18 h ALA 31 Cb 0.63 0.09 -0.06 0.00 0.00 0.00 0.00 17.79 18.44 2j18 h ALA 31 CO 0.04 -0.35 0.62 -0.07 0.00 0.00 0.00 179.25 179.48 2j18 h LEU 32 N -0.77 0.99 -0.59 0.00 3.38 -1.97 -1.37 115.31 114.97 2j18 h LEU 32 Ca -0.02 0.00 -0.07 0.00 0.09 0.00 0.00 57.88 57.88 2j18 h LEU 32 Cb 0.52 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.04 2j18 h LEU 32 CO 0.04 0.65 0.09 0.78 0.09 0.00 0.00 178.44 180.08 2j18 h ASN 33 N 1.13 0.95 -0.53 -0.43 2.35 -1.36 -0.66 115.58 117.04 2j18 h ASN 33 Ca 0.40 -0.26 -0.02 0.00 -0.55 0.00 0.00 56.30 55.86 2j18 h ASN 33 Cb 0.13 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.22 2j18 h ASN 33 CO -0.15 0.98 0.24 0.00 -1.65 0.00 0.00 177.43 176.85 2j18 h ALA 34 N 1.01 0.68 -0.55 -0.83 0.00 -0.92 0.23 119.26 118.88 2j18 h ALA 34 Ca 0.18 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 2j18 h ALA 34 Cb 0.43 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 2j18 h ALA 34 CO 0.01 0.25 0.33 -0.07 0.00 0.00 0.00 179.25 179.78 2j18 h LEU 35 N 0.70 0.67 -0.57 0.00 3.38 -0.94 -2.42 115.31 116.13 2j18 h LEU 35 Ca 0.18 -0.06 -0.12 0.00 0.09 0.00 0.00 57.88 57.97 2j18 h LEU 35 Cb 0.14 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.71 2j18 h LEU 35 CO -0.02 0.53 -0.18 0.00 0.09 0.00 0.00 178.44 178.87 2j18 h ALA 36 N 1.16 0.77 0.00 1.53 0.00 -0.96 -1.11 119.26 120.64 2j18 h ALA 36 Ca 0.20 -0.37 -0.00 0.00 0.00 0.00 0.00 54.91 54.74 2j18 h ALA 36 Cb -0.01 -0.17 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 2j18 h ALA 36 CO -0.04 0.66 -0.01 -0.91 0.00 0.00 0.00 179.25 178.96 2j18 h ASN 37 N 0.84 0.00 0.12 0.00 2.35 -0.71 -1.25 115.58 116.93 2j18 h ASN 37 Ca 0.12 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.87 2j18 h ASN 37 Cb 0.74 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.11 2j18 h ASN 37 CO 0.06 0.01 -0.33 1.41 -1.65 0.00 0.00 177.43 176.92 2j18 n HIS 38 N -4.20 0.00 -1.13 1.19 8.25 -0.93 -0.88 115.22 117.51 2j18 n HIS 38 Ca -0.03 0.00 -0.05 0.00 -0.26 0.00 0.00 57.72 57.38 2j18 n HIS 38 Cb 0.09 -0.06 -0.02 0.00 1.12 0.00 0.00 29.99 31.12 2j18 n HIS 38 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2j18 n GLY 39 N 1.37 0.72 0.12 -1.41 0.00 -0.47 -4.59 105.19 100.92 2j18 n GLY 39 Ca 0.11 -0.48 -0.03 0.00 0.00 0.00 0.00 46.02 45.63 2j18 n GLY 39 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 2j18 h TYR 40 N 0.00 0.00 -2.15 1.61 0.05 -1.49 -3.41 116.97 111.58 2j18 h TYR 40 Ca -0.09 0.00 -0.60 0.00 0.05 0.00 0.00 58.73 58.09 2j18 h TYR 40 Cb 0.42 0.00 -0.13 0.00 1.01 0.00 0.00 36.73 38.03 2j18 h TYR 40 CO 0.20 0.72 -0.72 0.96 -1.05 0.00 0.00 178.16 178.27 2j18 s ILE 41 N -3.35 2.64 0.07 -2.88 -4.36 -1.20 -4.65 121.20 107.47 2j18 s ILE 41 Ca -0.01 -2.26 -0.37 0.00 -0.26 0.00 0.00 60.65 57.76 2j18 s ILE 41 Cb 0.12 -2.49 -0.17 0.00 1.25 0.00 0.00 42.46 41.17 2j18 s ILE 41 CO 0.78 -0.35 1.25 -2.65 0.24 0.00 0.00 174.94 174.20 2j18 n PRO 42 N -0.72 0.85 -0.30 0.37 -0.02 -1.26 -4.31 135.00 129.61 2j18 n PRO 42 Ca -0.05 0.31 0.18 0.00 -2.02 0.00 0.00 63.50 61.91 2j18 n PRO 42 Cb 0.60 -1.89 0.45 0.00 -0.02 0.00 0.00 33.50 32.64 2j18 n PRO 42 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2j18 h HIS 43 N 4.01 0.74 -0.00 6.00 3.86 -1.86 0.66 115.15 128.55 2j18 h HIS 43 Ca -0.48 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 2j18 h HIS 43 Cb 1.36 -0.22 0.00 0.00 1.06 0.00 0.00 27.41 29.61 2j18 h HIS 43 CO 0.58 0.16 -0.04 -0.40 0.86 0.00 0.00 177.93 179.09 2j18 n ASP 44 N -4.61 0.16 -1.28 2.45 5.68 -1.26 -4.74 116.55 112.96 2j18 n ASP 44 Ca 0.22 -0.41 -0.13 0.00 -0.50 0.00 0.00 54.79 53.98 2j18 n ASP 44 Cb 0.70 -0.18 -0.03 0.00 -1.14 0.00 0.00 41.12 40.48 2j18 n ASP 44 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2j18 n GLY 45 N 1.25 0.46 3.32 6.12 0.00 0.22 -0.81 105.19 115.74 2j18 n GLY 45 Ca 0.16 -0.38 -0.24 0.00 0.00 0.00 0.00 46.02 45.56 2j18 n GLY 45 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2j18 s ARG 46 N -4.02 1.21 -0.96 1.61 0.52 -1.26 -1.43 118.95 114.61 2j18 s ARG 46 Ca 0.00 -1.26 -0.05 0.00 -0.52 0.00 0.00 55.73 53.90 2j18 s ARG 46 Cb 0.00 -1.46 -0.06 0.00 0.52 0.00 0.00 34.95 33.95 2j18 s ARG 46 CO 0.00 0.33 0.84 0.00 0.02 0.00 0.00 175.30 176.49 2j18 n ALA 47 N 0.83 -2.30 -3.34 2.13 0.00 -0.63 -4.74 120.51 112.46 2j18 n ALA 47 Ca -0.17 0.12 -0.36 0.00 0.00 0.00 0.00 53.44 53.03 2j18 n ALA 47 Cb 0.54 -5.28 -0.13 0.00 0.00 0.00 0.00 19.45 14.58 2j18 n ALA 47 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2j18 s ILE 48 N -3.35 3.70 0.62 0.00 1.01 -0.85 -4.76 121.20 117.57 2j18 s ILE 48 Ca 0.41 -0.38 -0.09 0.00 0.00 0.00 0.00 60.65 60.59 2j18 s ILE 48 Cb -0.05 -2.70 -0.02 0.00 0.01 0.00 0.00 42.46 39.70 2j18 s ILE 48 CO 0.67 0.39 0.99 -0.94 0.00 0.00 0.00 174.94 176.05 2j18 s SER 49 N 1.52 5.91 0.17 3.58 1.04 -1.25 -0.26 113.70 124.41 2j18 s SER 49 Ca 0.06 1.14 -0.15 0.00 0.48 0.00 0.00 55.95 57.48 2j18 s SER 49 Cb -0.15 -2.16 0.05 0.00 0.10 0.00 0.00 66.02 63.87 2j18 s SER 49 CO -0.01 -0.98 1.82 0.03 0.98 0.00 0.00 173.24 175.08 2j18 h ARG 50 N -0.30 0.58 -0.44 4.02 3.08 -1.97 -2.47 114.38 116.89 2j18 h ARG 50 Ca -0.45 -0.04 -0.07 0.00 0.07 0.00 0.00 59.98 59.50 2j18 h ARG 50 Cb 1.22 -0.13 -0.02 0.00 0.08 0.00 0.00 29.97 31.12 2j18 h ARG 50 CO 0.62 0.39 -0.01 1.49 -1.07 0.00 0.00 179.97 181.39 2j18 h GLU 51 N 0.60 0.73 -0.33 0.04 4.81 -1.94 0.59 114.58 119.08 2j18 h GLU 51 Ca 0.18 -0.19 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 2j18 h GLU 51 Cb -0.04 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.22 2j18 h GLU 51 CO -0.05 0.75 0.12 1.15 -0.73 0.00 0.00 179.01 180.24 2j18 h THR 52 N 0.68 0.92 -0.32 0.32 2.02 -1.90 0.70 112.91 115.34 2j18 h THR 52 Ca 0.13 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 2j18 h THR 52 Cb 0.44 0.63 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 2j18 h THR 52 CO 0.02 0.05 0.16 -0.07 0.37 0.00 0.00 175.52 176.04 2j18 h LEU 53 N 0.27 0.41 -0.21 2.58 3.38 -0.97 -1.27 115.31 119.50 2j18 h LEU 53 Ca 0.14 -0.12 0.02 0.00 0.09 0.00 0.00 57.88 58.01 2j18 h LEU 53 Cb 0.11 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2j18 h LEU 53 CO -0.14 0.42 0.09 1.56 0.09 0.00 0.00 178.44 180.46 2j18 h GLN 54 N 0.38 0.20 -0.68 1.13 4.20 -0.48 -0.86 115.11 119.00 2j18 h GLN 54 Ca 0.11 -0.01 -0.08 0.00 0.06 0.00 0.00 58.65 58.73 2j18 h GLN 54 Cb 0.11 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 2j18 h GLN 54 CO -0.01 0.13 0.12 -0.91 -0.67 0.00 0.00 178.83 177.49 2j18 h ASN 55 N 0.21 1.07 -0.31 1.46 -0.26 -0.83 -1.29 115.58 115.63 2j18 h ASN 55 Ca 0.09 -0.25 -0.02 0.00 -0.56 0.00 0.00 56.30 55.56 2j18 h ASN 55 Cb 0.04 -0.28 -0.01 0.00 -1.06 0.00 0.00 38.32 37.00 2j18 h ASN 55 CO -0.07 1.05 0.13 0.00 -1.06 0.00 0.00 177.43 177.47 2j18 h ALA 56 N 1.06 0.40 -0.37 -0.83 0.00 -0.82 0.17 119.26 118.86 2j18 h ALA 56 Ca 0.21 -0.12 -0.08 0.00 0.00 0.00 0.00 54.91 54.92 2j18 h ALA 56 Cb 0.43 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.08 2j18 h ALA 56 CO 0.01 -0.01 -0.06 0.74 0.00 0.00 0.00 179.25 179.93 2j18 h PHE 57 N 0.35 0.78 -0.09 0.00 0.04 -1.03 -1.61 116.94 115.38 2j18 h PHE 57 Ca 0.10 -0.16 -0.03 0.00 2.80 0.00 0.00 57.97 60.69 2j18 h PHE 57 Cb 0.17 -0.19 -0.00 0.00 2.20 0.00 0.00 35.95 38.13 2j18 h PHE 57 CO -0.01 0.83 -0.05 1.25 -0.60 0.00 0.00 178.31 179.73 2j18 h LEU 58 N 0.50 0.20 0.00 1.54 5.85 -0.77 -1.60 115.31 121.04 2j18 h LEU 58 Ca 0.10 -0.43 -0.08 0.00 0.84 0.00 0.00 57.88 58.30 2j18 h LEU 58 Cb 0.56 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2j18 h LEU 58 CO 0.03 0.59 -0.67 0.78 -0.34 0.00 0.00 178.44 178.83 2j18 h ASN 59 N -0.19 0.00 0.00 1.25 -0.26 -0.70 -3.20 115.58 112.49 2j18 h ASN 59 Ca 0.02 0.00 0.00 0.00 -0.56 0.00 0.00 56.30 55.76 2j18 h ASN 59 Cb 0.52 0.00 0.00 0.00 -1.06 0.00 0.00 38.32 37.78 2j18 h ASN 59 CO 0.02 0.36 -0.41 1.41 -1.06 0.00 0.00 177.43 177.74 2j18 n HIS 60 N -3.06 0.00 -0.55 1.19 8.25 -0.61 -4.74 115.22 115.71 2j18 n HIS 60 Ca -0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 2j18 n HIS 60 Cb 0.69 -0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.78 2j18 n HIS 60 CO 0.00 0.00 0.00 -1.33 0.64 0.00 0.00 176.34 175.65 2j18 n MET 61 N -1.22 -0.16 -3.02 -0.41 2.81 -0.67 -4.80 117.12 109.65 2j18 n MET 61 Ca 0.00 -0.35 -0.20 0.00 -1.81 0.00 0.00 57.70 55.35 2j18 n MET 61 Cb 0.06 -0.73 0.04 0.00 -0.71 0.00 0.00 33.22 31.88 2j18 n MET 61 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 2j18 n GLY 62 N -0.04 -0.35 3.13 3.03 0.00 -0.82 -4.20 105.19 105.94 2j18 n GLY 62 Ca 0.00 0.03 -0.33 0.00 0.00 0.00 0.00 46.02 45.72 2j18 n GLY 62 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2j18 s ILE 63 N -3.13 2.41 0.79 -0.61 -1.09 -0.81 -0.62 121.20 118.15 2j18 s ILE 63 Ca 0.31 -1.27 -0.11 0.00 -2.23 0.00 0.00 60.65 57.35 2j18 s ILE 63 Cb -0.14 -2.26 0.07 0.00 -1.58 0.00 0.00 42.46 38.55 2j18 s ILE 63 CO 0.39 0.17 1.09 0.00 -1.23 0.00 0.00 174.94 175.35 2j18 s ALA 64 N 1.22 2.19 0.29 9.38 0.00 -0.35 -2.24 121.76 132.26 2j18 s ALA 64 Ca -0.03 -0.06 0.03 0.00 0.00 0.00 0.00 51.96 51.90 2j18 s ALA 64 Cb -0.17 -3.16 0.64 0.00 0.00 0.00 0.00 23.12 20.43 2j18 s ALA 64 CO -0.06 -1.76 1.80 -0.91 0.00 0.00 0.00 175.76 174.82 2j18 h ASN 65 N -1.11 0.80 -0.34 0.00 4.21 -1.87 -1.83 115.58 115.43 2j18 h ASN 65 Ca -0.46 0.08 0.04 0.00 1.21 0.00 0.00 56.30 57.17 2j18 h ASN 65 Cb 1.26 -0.07 -0.02 0.00 -1.12 0.00 0.00 38.32 38.37 2j18 h ASN 65 CO 0.57 0.35 0.23 0.77 -1.29 0.00 0.00 177.43 178.06 2j18 h SER 66 N 0.83 0.25 -0.14 5.81 4.64 -1.92 -2.00 113.55 121.01 2j18 h SER 66 Ca 0.53 -0.00 -0.04 0.00 -0.47 0.00 0.00 61.79 61.81 2j18 h SER 66 Cb 0.71 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.73 2j18 h SER 66 CO -0.34 0.17 -0.03 0.58 -0.87 0.00 0.00 176.83 176.34 2j18 h VAL 67 N 0.28 1.18 -0.47 0.95 2.07 -1.61 -3.17 116.25 115.48 2j18 h VAL 67 Ca 0.15 -0.71 0.00 0.00 0.82 0.00 0.00 66.70 66.96 2j18 h VAL 67 Cb 0.23 1.01 0.00 0.00 -1.52 0.00 0.00 31.29 31.01 2j18 h VAL 67 CO -0.03 0.24 0.00 2.30 0.02 0.00 0.00 177.57 180.10 2j18 n ILE 68 N -4.30 1.02 0.19 4.57 -5.35 -0.77 -4.69 119.36 110.03 2j18 n ILE 68 Ca 0.01 -1.01 -0.15 0.00 -0.27 0.00 0.00 62.75 61.33 2j18 n ILE 68 Cb 0.23 0.49 -0.07 0.00 -1.74 0.00 0.00 39.64 38.55 2j18 n ILE 68 CO 0.00 0.00 0.00 -0.08 -1.76 0.00 0.00 176.55 174.71 2j18 h GLU 69 N 2.72 -0.54 -0.68 6.28 4.81 -1.48 0.92 114.58 126.61 2j18 h GLU 69 Ca 0.00 0.04 -0.07 0.00 -0.13 0.00 0.00 59.36 59.20 2j18 h GLU 69 Cb 0.82 0.12 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 2j18 h GLU 69 CO 0.00 -0.36 0.15 1.25 -0.73 0.00 0.00 179.01 179.32 2j18 h LEU 70 N -0.57 1.05 -0.85 1.64 5.85 -1.84 -2.35 115.31 118.25 2j18 h LEU 70 Ca -0.02 -0.24 0.02 0.00 0.84 0.00 0.00 57.88 58.47 2j18 h LEU 70 Cb 0.50 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.21 2j18 h LEU 70 CO -0.02 1.03 0.56 0.00 -0.34 0.00 0.00 178.44 179.66 2j18 h ALA 71 N 1.07 1.09 -0.18 1.25 0.00 -1.77 0.79 119.26 121.52 2j18 h ALA 71 Ca 0.21 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.06 2j18 h ALA 71 Cb 0.40 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.85 2j18 h ALA 71 CO 0.01 0.46 0.07 -0.07 0.00 0.00 0.00 179.25 179.72 2j18 h LEU 72 N 1.13 0.24 -0.33 0.00 3.38 -0.64 0.87 115.31 119.96 2j18 h LEU 72 Ca 0.32 -0.16 0.06 0.00 0.09 0.00 0.00 57.88 58.19 2j18 h LEU 72 Cb -0.09 -0.06 -0.06 0.00 0.09 0.00 0.00 40.66 40.54 2j18 h LEU 72 CO -0.08 0.34 -0.04 0.74 0.09 0.00 0.00 178.44 179.49 2j18 h THR 73 N 0.13 0.71 -0.15 0.22 2.02 -0.86 -2.04 112.91 112.94 2j18 h THR 73 Ca 0.06 -0.02 -0.14 0.00 0.77 0.00 0.00 66.41 67.08 2j18 h THR 73 Cb 0.17 0.66 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 2j18 h THR 73 CO -0.01 0.01 -0.49 0.78 0.37 0.00 0.00 175.52 176.18 2j18 h ASN 74 N 0.05 0.44 -0.47 4.18 2.35 -0.69 -1.15 115.58 120.29 2j18 h ASN 74 Ca 0.16 -0.22 0.05 0.00 -0.55 0.00 0.00 56.30 55.75 2j18 h ASN 74 Cb 0.23 -0.13 -0.05 0.00 0.05 0.00 0.00 38.32 38.43 2j18 h ASN 74 CO -0.30 0.87 0.19 0.00 -1.65 0.00 0.00 177.43 176.54 2j18 h ALA 75 N 1.15 0.58 -0.07 -0.83 0.00 -0.54 -0.75 119.26 118.80 2j18 h ALA 75 Ca 0.02 0.05 -0.17 0.00 0.00 0.00 0.00 54.91 54.80 2j18 h ALA 75 Cb 0.98 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.76 2j18 h ALA 75 CO 0.09 -0.19 -0.69 0.74 0.00 0.00 0.00 179.25 179.20 2j18 h PHE 76 N 0.39 0.42 -0.42 0.00 0.04 -1.06 -0.01 116.94 116.30 2j18 h PHE 76 Ca 0.22 -0.18 0.04 0.00 2.80 0.00 0.00 57.97 60.85 2j18 h PHE 76 Cb 0.19 -0.07 -0.04 0.00 2.20 0.00 0.00 35.95 38.23 2j18 h PHE 76 CO -0.14 0.91 0.19 0.28 -0.60 0.00 0.00 178.31 178.95 2j18 h VAL 77 N 0.22 0.93 -0.43 -0.55 2.07 -1.02 -1.68 116.25 115.79 2j18 h VAL 77 Ca -0.02 -0.13 -0.12 0.00 0.82 0.00 0.00 66.70 67.24 2j18 h VAL 77 Cb 1.25 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 31.52 2j18 h VAL 77 CO 0.11 0.07 -0.23 0.58 0.02 0.00 0.00 177.57 178.12 2j18 h VAL 78 N 0.38 1.27 -0.55 2.57 2.07 -0.90 -1.38 116.25 119.71 2j18 h VAL 78 Ca 0.19 -1.37 0.04 0.00 0.82 0.00 0.00 66.70 66.37 2j18 h VAL 78 Cb 0.12 1.19 -0.04 0.00 -1.52 0.00 0.00 31.29 31.04 2j18 h VAL 78 CO -0.15 0.46 0.31 0.00 0.02 0.00 0.00 177.57 178.21 2j18 h GLU 80 N 0.61 1.00 0.03 0.00 4.81 -1.05 -1.80 114.58 118.18 2j18 h GLU 80 Ca 0.23 -0.35 -0.00 0.00 -0.13 0.00 0.00 59.36 59.11 2j18 h GLU 80 Cb 0.08 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 29.38 2j18 h GLU 80 CO -0.13 1.03 -0.02 -0.92 -0.73 0.00 0.00 179.01 178.25 2j18 h TYR 81 N 0.88 -0.04 -0.24 0.92 3.20 -0.78 0.02 116.97 120.93 2j18 h TYR 81 Ca 0.15 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.96 2j18 h TYR 81 Cb 0.62 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.90 2j18 h TYR 81 CO 0.04 0.05 -0.07 0.28 -1.64 0.00 0.00 178.16 176.83 2j18 h VAL 82 N -0.13 1.29 0.00 1.81 2.07 -0.83 -3.29 116.25 117.17 2j18 h VAL 82 Ca -0.00 -1.08 -0.07 0.00 0.82 0.00 0.00 66.70 66.37 2j18 h VAL 82 Cb 0.11 1.51 -0.01 0.00 -1.52 0.00 0.00 31.29 31.38 2j18 h VAL 82 CO 0.01 0.33 -0.61 0.71 0.02 0.00 0.00 177.57 178.04 2j18 h THR 83 N 0.20 0.41 0.00 2.57 1.35 -1.37 -3.47 112.91 112.60 2j18 h THR 83 Ca 0.06 -1.63 0.00 0.00 -0.55 0.00 0.00 66.41 64.29 2j18 h THR 83 Cb 0.53 2.08 0.00 0.00 -1.73 0.00 0.00 68.15 69.03 2j18 h THR 83 CO 0.03 0.23 0.00 0.61 -0.25 0.00 0.00 175.52 176.14 2j18 n GLY 84 N 1.21 0.74 3.21 5.82 0.00 -0.02 -5.04 105.19 111.12 2j18 n GLY 84 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2j18 n GLY 84 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2j18 s SER 85 N -2.46 0.13 0.28 1.61 1.04 -1.18 -5.01 113.70 108.09 2j18 s SER 85 Ca 0.00 -0.69 -0.30 0.00 0.48 0.00 0.00 55.95 55.44 2j18 s SER 85 Cb 0.00 0.34 -0.12 0.00 0.10 0.00 0.00 66.02 66.34 2j18 s SER 85 CO 0.00 -0.74 1.53 -0.67 0.98 0.00 0.00 173.24 174.34 2j18 n ASP 86 N -0.07 3.48 -0.79 7.02 -0.08 -1.26 -4.14 116.55 120.71 2j18 n ASP 86 Ca -0.14 1.15 0.12 0.00 -1.51 0.00 0.00 54.79 54.40 2j18 n ASP 86 Cb 0.62 -1.54 0.30 0.00 2.34 0.00 0.00 41.12 42.85 2j18 n ASP 86 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2j18 n GLY 88 N 1.29 3.73 1.64 0.00 0.00 -1.26 -1.69 105.19 108.90 2j18 n GLY 88 Ca 0.17 0.08 -0.16 0.00 0.00 0.00 0.00 46.02 46.11 2j18 n GLY 88 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2j18 n ASP 89 N 6.17 4.10 -3.54 1.61 2.03 -1.26 -4.88 116.55 120.78 2j18 n ASP 89 Ca 0.00 -3.79 -0.29 0.00 0.52 0.00 0.00 54.79 51.23 2j18 n ASP 89 Cb 0.00 -0.40 -0.13 0.00 -0.72 0.00 0.00 41.12 39.87 2j18 n ASP 89 CO 0.00 0.00 0.00 -0.55 -1.92 0.00 0.00 177.20 174.73 2j18 s SER 90 N -3.46 3.25 0.01 1.67 0.15 -0.68 -3.86 113.70 110.77 2j18 s SER 90 Ca 0.48 -2.17 -0.31 0.00 0.70 0.00 0.00 55.95 54.64 2j18 s SER 90 Cb 0.40 -0.57 -0.10 0.00 -1.71 0.00 0.00 66.02 64.04 2j18 s SER 90 CO 0.01 -0.32 1.94 -0.11 1.20 0.00 0.00 173.24 175.96 2j18 n LEU 91 N 4.09 3.97 -0.04 3.45 7.94 0.65 -4.62 117.00 132.44 2j18 n LEU 91 Ca 0.09 0.93 -0.08 0.00 -1.11 0.00 0.00 56.01 55.83 2j18 n LEU 91 Cb 0.37 -1.49 -0.03 0.00 0.53 0.00 0.00 43.42 42.81 2j18 n LEU 91 CO 0.15 0.13 0.82 0.58 -1.11 0.00 0.00 177.39 177.97 2j18 h VAL 92 N 5.52 0.78 -3.12 1.96 2.07 -1.88 -1.51 116.25 120.06 2j18 h VAL 92 Ca -0.49 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.01 2j18 h VAL 92 Cb 1.25 0.78 -0.02 0.00 -1.52 0.00 0.00 31.29 31.77 2j18 h VAL 92 CO 0.94 0.00 0.20 0.54 0.02 0.00 0.00 177.57 179.28 2j18 s ASN 93 N -5.20 -0.01 0.12 0.57 2.20 -1.26 -2.35 114.94 109.01 2j18 s ASN 93 Ca -0.13 -1.01 0.08 0.00 -0.94 0.00 0.00 52.86 50.86 2j18 s ASN 93 Cb 0.10 0.79 -0.19 0.00 -2.00 0.00 0.00 41.25 39.95 2j18 s ASN 93 CO 0.68 -1.53 1.24 -0.07 -2.94 0.00 0.00 177.10 174.49 2j18 h LEU 94 N 2.02 0.00 -1.00 3.54 3.38 -1.52 -3.37 115.31 118.36 2j18 h LEU 94 Ca -0.28 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 2j18 h LEU 94 Cb 1.25 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.97 2j18 h LEU 94 CO 0.35 0.97 0.13 0.74 0.09 0.00 0.00 178.44 180.72 2j18 h THR 95 N 0.00 1.23 0.00 0.22 2.02 -1.81 -2.04 112.91 112.53 2j18 h THR 95 Ca -0.03 -0.83 0.00 0.00 0.77 0.00 0.00 66.41 66.32 2j18 h THR 95 Cb 1.76 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 68.84 2j18 h THR 95 CO 0.12 0.31 0.00 0.17 0.37 0.00 0.00 175.52 176.49 2j18 h LEU 96 N 0.82 0.00 -0.41 2.58 8.10 -1.87 -1.03 115.31 123.50 2j18 h LEU 96 Ca 0.18 0.00 0.00 0.00 0.11 0.00 0.00 57.88 58.17 2j18 h LEU 96 Cb 0.30 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.52 2j18 h LEU 96 CO -0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 2j18 n LEU 97 N -2.93 0.32 -0.86 0.17 4.77 -0.77 -1.81 117.00 115.89 2j18 n LEU 97 Ca -0.03 0.59 0.04 0.00 -0.03 0.00 0.00 56.01 56.59 2j18 n LEU 97 Cb 0.08 -0.56 0.17 0.00 -2.33 0.00 0.00 43.42 40.77 2j18 n LEU 97 CO 0.19 -0.46 0.58 0.00 -1.33 0.00 0.00 177.39 176.36 2j18 n ALA 98 N -1.64 2.77 -1.67 -1.18 0.00 -0.39 -3.54 120.51 114.87 2j18 n ALA 98 Ca 0.02 -0.72 -0.45 0.00 0.00 0.00 0.00 53.44 52.29 2j18 n ALA 98 Cb 0.17 -1.01 -0.04 0.00 0.00 0.00 0.00 19.45 18.56 2j18 n ALA 98 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2j18 n GLU 99 N 0.39 2.55 -1.41 0.00 4.07 -0.75 -4.87 120.64 120.62 2j18 n GLU 99 Ca 0.12 0.93 -0.30 0.00 -0.06 0.00 0.00 57.16 57.85 2j18 n GLU 99 Cb 0.47 -2.85 0.09 0.00 -0.06 0.00 0.00 31.44 29.09 2j18 n GLU 99 CO 0.00 0.00 0.00 -1.25 -0.06 0.00 0.00 177.13 175.82 2j18 s PRO 100 N 4.34 2.19 -1.53 5.31 0.04 -1.26 -3.82 135.00 140.27 2j18 s PRO 100 Ca 0.91 0.90 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 2j18 s PRO 100 Cb -0.55 -1.91 0.06 0.00 0.04 0.00 0.00 34.50 32.14 2j18 s PRO 100 CO 0.46 -1.61 0.51 0.72 0.04 0.00 0.00 177.00 177.13 2j18 n HIS 101 N -3.47 -1.65 0.00 0.56 8.25 -1.11 -4.84 115.22 112.97 2j18 n HIS 101 Ca 0.08 0.75 0.00 0.00 -0.26 0.00 0.00 57.72 58.29 2j18 n HIS 101 Cb 0.54 -3.36 0.00 0.00 1.12 0.00 0.00 29.99 28.29 2j18 n HIS 101 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 2j18 n ALA 102 N -4.42 0.00 -0.07 -1.41 0.00 -1.25 -5.01 120.51 108.35 2j18 n ALA 102 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.15 2j18 n ALA 102 Cb 0.62 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.97 2j18 n ALA 102 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 2j18 h PHE 103 N 0.00 0.00 -3.91 0.00 3.04 -1.85 -3.44 116.94 110.78 2j18 h PHE 103 Ca 0.00 0.00 -0.55 0.00 3.98 0.00 0.00 57.97 61.40 2j18 h PHE 103 Cb 0.00 0.00 0.12 0.00 2.56 0.00 0.00 35.95 38.63 2j18 h PHE 103 CO 0.00 0.85 0.68 -1.91 -2.02 0.00 0.00 178.31 175.91 2j18 n GLU 104 N -4.61 2.22 -3.99 1.11 0.00 -1.23 -5.00 120.64 109.14 2j18 n GLU 104 Ca -0.12 0.79 -0.10 0.00 0.00 0.00 0.00 57.16 57.74 2j18 n GLU 104 Cb 0.42 -2.60 -0.07 0.00 0.00 0.00 0.00 31.44 29.18 2j18 n GLU 104 CO 0.00 0.00 0.00 -3.38 0.00 0.00 0.00 177.13 173.75 2j18 s HIS 105 N -1.19 0.46 0.97 4.31 -3.43 -1.26 -2.74 115.29 112.41 2j18 s HIS 105 Ca 0.61 -0.81 -0.13 0.00 -0.80 0.00 0.00 55.06 53.93 2j18 s HIS 105 Cb -0.46 -0.06 0.17 0.00 -1.43 0.00 0.00 32.58 30.81 2j18 s HIS 105 CO 0.58 -0.77 1.13 -0.51 -2.00 0.00 0.00 174.74 173.17 2j18 s ASP 106 N -3.00 2.96 -1.53 7.38 1.01 -1.26 -4.22 116.67 118.02 2j18 s ASP 106 Ca 0.20 0.95 -0.10 0.00 0.71 0.00 0.00 52.55 54.31 2j18 s ASP 106 Cb 0.03 -1.50 0.08 0.00 1.01 0.00 0.00 42.92 42.54 2j18 s ASP 106 CO 0.03 -2.89 0.77 0.00 0.21 0.00 0.00 175.17 173.28 2j18 n HIS 107 N -3.99 -1.95 -1.25 4.23 1.44 -1.26 -4.77 115.22 107.67 2j18 n HIS 107 Ca 0.07 0.83 -0.32 0.00 -2.01 0.00 0.00 57.72 56.30 2j18 n HIS 107 Cb 0.59 -3.69 0.10 0.00 0.12 0.00 0.00 29.99 27.11 2j18 n HIS 107 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 2j18 s SER 108 N -3.68 4.29 0.26 4.39 0.01 -1.26 -4.67 113.70 113.03 2j18 s SER 108 Ca 0.45 1.95 0.10 0.00 1.31 0.00 0.00 55.95 59.76 2j18 s SER 108 Cb -0.24 -2.54 0.29 0.00 0.21 0.00 0.00 66.02 63.75 2j18 s SER 108 CO 0.87 -2.18 1.58 -0.26 0.41 0.00 0.00 173.24 173.65 2j18 h PHE 109 N -1.03 0.02 0.00 2.43 0.04 -1.94 -3.39 116.94 113.07 2j18 h PHE 109 Ca -0.44 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.32 2j18 h PHE 109 Cb 1.24 -0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.39 2j18 h PHE 109 CO 0.55 0.67 0.00 -1.13 -0.60 0.00 0.00 178.31 177.80 2j18 n SER 110 N -3.77 0.14 -4.31 2.17 3.41 -1.26 -3.68 113.62 106.32 2j18 n SER 110 Ca -0.01 -1.05 -0.26 0.00 -0.26 0.00 0.00 58.87 57.28 2j18 n SER 110 Cb 0.65 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.47 2j18 n SER 110 CO 0.00 0.00 0.00 -0.13 -0.16 0.00 0.00 175.04 174.75 2j18 s ARG 111 N -0.05 1.30 0.74 4.33 3.00 -1.26 -0.67 118.95 126.34 2j18 s ARG 111 Ca 0.00 -1.16 -0.11 0.00 0.00 0.00 0.00 55.73 54.46 2j18 s ARG 111 Cb 0.00 -1.59 0.03 0.00 0.00 0.00 0.00 34.95 33.39 2j18 s ARG 111 CO 0.00 0.38 1.07 0.15 0.00 0.00 0.00 175.30 176.91 2j18 s LYS 112 N -1.75 2.58 0.51 3.54 1.02 -1.26 -4.35 119.74 120.04 2j18 s LYS 112 Ca 0.09 0.97 -0.17 0.00 0.02 0.00 0.00 55.97 56.88 2j18 s LYS 112 Cb -0.10 -1.95 -0.08 0.00 -0.52 0.00 0.00 37.83 35.18 2j18 s LYS 112 CO 0.04 -1.35 0.99 -0.51 -0.92 0.00 0.00 175.35 173.59 2j18 s ASP 113 N -3.68 6.58 0.29 2.83 1.01 -1.26 -4.25 116.67 118.19 2j18 s ASP 113 Ca 0.59 1.61 0.03 0.00 0.71 0.00 0.00 52.55 55.49 2j18 s ASP 113 Cb -0.15 -2.51 0.66 0.00 1.01 0.00 0.00 42.92 41.93 2j18 s ASP 113 CO 0.55 -0.61 1.77 0.22 0.21 0.00 0.00 175.17 177.31 2j18 h TYR 114 N 0.99 0.94 -0.44 4.23 3.20 -1.91 -1.33 116.97 122.65 2j18 h TYR 114 Ca -0.47 0.03 -0.30 0.00 3.14 0.00 0.00 58.73 61.13 2j18 h TYR 114 Cb 1.19 -0.27 -0.21 0.00 1.54 0.00 0.00 36.73 38.98 2j18 h TYR 114 CO 0.63 0.20 -0.42 1.63 -1.64 0.00 0.00 178.16 178.56 2j18 n LYS 115 N -4.82 2.49 -2.27 1.82 5.02 -1.26 -1.07 118.16 118.06 2j18 n LYS 115 Ca 0.21 -3.60 -0.42 0.00 -2.02 0.00 0.00 58.31 52.47 2j18 n LYS 115 Cb 0.53 -1.96 -0.03 0.00 -0.02 0.00 0.00 35.03 33.55 2j18 n LYS 115 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2j18 s GLN 116 N -3.42 4.26 -1.60 1.97 0.74 -0.50 -1.12 119.66 119.99 2j18 s GLN 116 Ca 0.46 1.88 0.00 0.00 0.05 0.00 0.00 55.36 57.75 2j18 s GLN 116 Cb 0.40 -3.69 0.00 0.00 1.10 0.00 0.00 33.01 30.82 2j18 s GLN 116 CO -0.01 -0.64 0.00 0.41 -0.55 0.00 0.00 175.29 174.50 2j18 n GLY 117 N 3.68 1.49 3.78 2.59 0.00 0.05 -4.92 105.19 111.85 2j18 n GLY 117 Ca 0.14 -0.30 -0.39 0.00 0.00 0.00 0.00 46.02 45.47 2j18 n GLY 117 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2j18 s VAL 118 N -2.57 4.36 0.14 1.61 -7.23 -1.23 -4.97 120.40 110.51 2j18 s VAL 118 Ca 0.00 1.67 0.04 0.00 -1.81 0.00 0.00 61.98 61.89 2j18 s VAL 118 Cb 0.00 -4.09 -0.19 0.00 0.56 0.00 0.00 36.38 32.65 2j18 s VAL 118 CO 0.00 0.43 1.31 0.00 -0.31 0.00 0.00 175.10 176.53 2j18 h ALA 119 N 4.04 0.40 -4.28 1.32 0.00 -1.94 -3.44 119.26 115.36 2j18 h ALA 119 Ca -0.47 -0.83 -0.69 0.00 0.00 0.00 0.00 54.91 52.91 2j18 h ALA 119 Cb 1.20 -0.10 -0.26 0.00 0.00 0.00 0.00 17.79 18.63 2j18 h ALA 119 CO 0.66 1.08 -0.87 -0.80 0.00 0.00 0.00 179.25 179.32 2j18 s ASN 120 N -6.85 3.28 0.42 0.00 -0.87 -1.26 -5.04 114.94 104.61 2j18 s ASN 120 Ca -0.01 -0.54 0.10 0.00 -1.57 0.00 0.00 52.86 50.84 2j18 s ASN 120 Cb 0.10 -0.36 0.94 0.00 -0.02 0.00 0.00 41.25 41.91 2j18 s ASN 120 CO 0.83 0.27 2.02 0.77 -2.57 0.00 0.00 177.10 178.41 2j18 h SER 121 N 4.83 0.43 1.21 -1.22 4.64 -2.00 -1.36 113.55 120.08 2j18 h SER 121 Ca -0.46 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.86 2j18 h SER 121 Cb 1.14 -0.09 0.00 0.00 -0.31 0.00 0.00 62.40 63.14 2j18 h SER 121 CO 0.45 0.28 0.00 0.59 -0.87 0.00 0.00 176.83 177.28 2j18 n ASN 122 N -4.47 0.45 -4.76 4.97 5.03 -1.26 -4.89 115.26 110.32 2j18 n ASN 122 Ca 0.07 0.55 -0.34 0.00 0.87 0.00 0.00 54.58 55.72 2j18 n ASN 122 Cb 0.22 -0.67 0.05 0.00 -1.02 0.00 0.00 39.78 38.36 2j18 n ASN 122 CO 0.00 0.00 0.00 -1.81 -1.83 0.00 0.00 177.26 173.62 2j18 s ASP 123 N -3.85 5.04 0.11 6.41 1.01 -0.52 -5.07 116.67 119.81 2j18 s ASP 123 Ca 0.12 2.14 -0.10 0.00 0.71 0.00 0.00 52.55 55.42 2j18 s ASP 123 Cb 0.15 -2.57 0.00 0.00 1.01 0.00 0.00 42.92 41.51 2j18 s ASP 123 CO 0.55 -1.68 0.24 0.72 0.21 0.00 0.00 175.17 175.21 2j18 s PHE 124 N -2.09 0.15 0.35 4.23 -0.12 -1.26 -4.77 117.98 114.46 2j18 s PHE 124 Ca 0.71 -0.55 0.03 0.00 -0.05 0.00 0.00 56.93 57.07 2j18 s PHE 124 Cb -0.24 -0.01 -0.01 0.00 -0.63 0.00 0.00 43.02 42.13 2j18 s PHE 124 CO 0.39 -0.61 0.11 0.44 -0.05 0.00 0.00 175.22 175.50 2j18 n ILE 125 N -0.12 0.00 -2.29 -4.49 -5.35 -0.23 -5.03 119.36 101.85 2j18 n ILE 125 Ca -0.14 -1.98 -0.40 0.00 -0.27 0.00 0.00 62.75 59.97 2j18 n ILE 125 Cb 0.63 0.69 -0.03 0.00 -1.74 0.00 0.00 39.64 39.18 2j18 n ILE 125 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 2j18 s ASP 126 N -3.10 5.72 -0.14 7.28 -1.08 -1.26 -4.69 116.67 119.39 2j18 s ASP 126 Ca 0.16 -0.02 0.15 0.00 -0.52 0.00 0.00 52.55 52.32 2j18 s ASP 126 Cb 0.01 -2.54 0.70 0.00 -1.46 0.00 0.00 42.92 39.62 2j18 s ASP 126 CO 0.11 -2.10 1.59 -0.46 0.52 0.00 0.00 175.17 174.83 2j18 n ASN 127 N 11.06 4.73 -0.02 -0.34 6.94 -1.26 -4.30 115.26 132.07 2j18 n ASN 127 Ca 0.12 -2.56 -0.06 0.00 -0.02 0.00 0.00 54.58 52.06 2j18 n ASN 127 Cb 0.51 -0.60 -0.02 0.00 -2.36 0.00 0.00 39.78 37.31 2j18 n ASN 127 CO 0.00 0.00 0.00 -1.14 -1.03 0.00 0.00 177.26 175.09 2j18 n ARG 128 N 0.87 0.12 -2.44 -3.83 0.63 -1.26 -4.76 116.66 105.99 2j18 n ARG 128 Ca 0.24 0.05 -0.35 0.00 -0.92 0.00 0.00 57.85 56.88 2j18 n ARG 128 Cb 0.93 -0.70 -0.02 0.00 0.45 0.00 0.00 32.46 33.12 2j18 n ARG 128 CO 0.00 0.00 0.00 -0.80 -2.51 0.00 0.00 177.63 174.32 2j18 s ASN 129 N -5.55 6.13 0.15 6.15 0.01 -1.26 -4.05 114.94 116.51 2j18 s ASN 129 Ca -0.08 2.03 -0.34 0.00 -0.71 0.00 0.00 52.86 53.76 2j18 s ASN 129 Cb 0.03 -2.57 -0.15 0.00 0.41 0.00 0.00 41.25 38.97 2j18 s ASN 129 CO 0.10 -0.93 1.37 0.33 -1.51 0.00 0.00 177.10 176.45 2j18 n PHE 130 N -1.05 1.76 -4.03 2.20 7.35 -1.26 -4.69 117.46 117.75 2j18 n PHE 130 Ca 0.10 0.52 -0.31 0.00 -0.76 0.00 0.00 57.45 57.00 2j18 n PHE 130 Cb 0.52 -2.39 -0.15 0.00 0.35 0.00 0.00 39.48 37.80 2j18 n PHE 130 CO 0.00 0.00 0.00 0.34 -0.76 0.00 0.00 176.76 176.34 2j18 s ASP 131 N 0.43 4.19 0.23 -2.13 2.15 0.16 -5.02 116.67 116.68 2j18 s ASP 131 Ca 0.77 -1.29 -0.06 0.00 0.43 0.00 0.00 52.55 52.40 2j18 s ASP 131 Cb -0.81 -1.43 0.32 0.00 -0.30 0.00 0.00 42.92 40.70 2j18 s ASP 131 CO 0.46 -0.19 1.84 0.00 -0.17 0.00 0.00 175.17 177.11 2j18 h ALA 132 N 7.84 1.12 -0.50 3.66 0.00 -1.94 -1.47 119.26 127.97 2j18 h ALA 132 Ca -0.20 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.68 2j18 h ALA 132 Cb 1.05 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.62 2j18 h ALA 132 CO 0.45 0.22 0.21 1.49 0.00 0.00 0.00 179.25 181.63 2j18 h GLU 133 N 0.90 0.74 -0.36 0.00 4.22 -1.95 0.58 114.58 118.70 2j18 h GLU 133 Ca 0.36 -0.12 -0.02 0.00 0.08 0.00 0.00 59.36 59.65 2j18 h GLU 133 Cb 0.19 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 2j18 h GLU 133 CO -0.18 0.64 0.14 1.15 -2.18 0.00 0.00 179.01 178.58 2j18 h THR 134 N 0.66 1.19 -0.37 0.32 2.02 -1.72 -2.26 112.91 112.76 2j18 h THR 134 Ca 0.17 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.72 2j18 h THR 134 Cb 0.17 0.90 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 2j18 h THR 134 CO -0.02 0.21 0.09 0.15 0.37 0.00 0.00 175.52 176.32 2j18 h PHE 135 N 0.44 0.54 -0.09 3.16 3.57 -0.98 -1.21 116.94 122.38 2j18 h PHE 135 Ca 0.12 -0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.54 2j18 h PHE 135 Cb 0.19 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 38.76 2j18 h PHE 135 CO -0.00 0.47 -0.16 0.37 -2.23 0.00 0.00 178.31 176.76 2j18 h GLN 136 N 0.53 0.14 -0.05 1.11 5.75 -0.32 -0.51 115.11 121.76 2j18 h GLN 136 Ca 0.12 -0.03 -0.07 0.00 -0.15 0.00 0.00 58.65 58.52 2j18 h GLN 136 Cb 0.21 -0.02 -0.01 0.00 1.07 0.00 0.00 27.48 28.73 2j18 h GLN 136 CO -0.00 0.31 -0.29 1.79 -2.65 0.00 0.00 178.83 177.98 2j18 h THR 137 N 0.13 1.23 -0.01 2.39 1.35 -0.81 0.72 112.91 117.90 2j18 h THR 137 Ca 0.03 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.78 2j18 h THR 137 Cb 0.37 1.52 0.00 0.00 -1.73 0.00 0.00 68.15 68.32 2j18 h THR 137 CO 0.02 0.32 -0.06 0.28 -0.25 0.00 0.00 175.52 175.83 2j18 h SER 138 N 0.08 0.08 -0.20 5.36 0.02 -1.14 -3.31 113.55 114.43 2j18 h SER 138 Ca 0.01 -0.65 -0.04 0.00 -0.84 0.00 0.00 61.79 60.27 2j18 h SER 138 Cb 0.56 -0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.06 2j18 h SER 138 CO 0.04 0.72 0.03 -0.07 -1.14 0.00 0.00 176.83 176.41 2j18 h LEU 139 N -0.55 0.41 -1.94 5.07 3.38 -0.83 -2.85 115.31 118.00 2j18 h LEU 139 Ca -0.00 -0.06 -0.02 0.00 0.09 0.00 0.00 57.88 57.88 2j18 h LEU 139 Cb 0.72 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.36 2j18 h LEU 139 CO 0.01 0.45 -0.11 0.44 0.09 0.00 0.00 178.44 179.32 2j18 h ASP 140 N 0.43 0.00 0.29 -0.43 3.32 -0.95 -0.41 116.42 118.67 2j18 h ASP 140 Ca 0.10 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.11 2j18 h ASP 140 Cb 0.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.78 2j18 h ASP 140 CO 0.00 0.11 -0.20 0.58 -1.72 0.00 0.00 179.24 178.01 2j18 h VAL 141 N 0.00 0.98 -0.20 -1.35 2.07 -1.61 -2.77 116.25 113.38 2j18 h VAL 141 Ca -0.00 -0.74 -0.12 0.00 0.82 0.00 0.00 66.70 66.66 2j18 h VAL 141 Cb 0.26 1.42 -0.08 0.00 -1.52 0.00 0.00 31.29 31.37 2j18 h VAL 141 CO 0.01 0.20 -0.35 1.33 0.02 0.00 0.00 177.57 178.78 2j18 n VAL 142 N -4.05 2.38 -1.69 2.57 0.24 -0.22 -5.02 118.33 112.55 2j18 n VAL 142 Ca -0.02 -3.14 -0.42 0.00 -2.04 0.00 0.00 64.34 58.72 2j18 n VAL 142 Cb 0.28 -0.35 0.00 0.00 -1.47 0.00 0.00 33.84 32.31 2j18 n VAL 142 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 2j18 n ALA 143 N -1.09 1.12 -0.98 2.33 0.00 -0.88 -2.42 120.51 118.58 2j18 n ALA 143 Ca 0.27 0.31 0.00 0.00 0.00 0.00 0.00 53.44 54.02 2j18 n ALA 143 Cb 0.84 -2.23 0.00 0.00 0.00 0.00 0.00 19.45 18.06 2j18 n ALA 143 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2j18 n GLY 144 N 0.85 0.62 3.57 0.00 0.00 -1.26 -5.02 105.19 103.95 2j18 n GLY 144 Ca 0.06 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.81 2j18 n GLY 144 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2j18 s LYS 145 N -0.14 2.06 -0.09 1.61 1.02 -1.02 -5.04 119.74 118.14 2j18 s LYS 145 Ca 0.00 -1.23 0.19 0.00 0.02 0.00 0.00 55.97 54.95 2j18 s LYS 145 Cb 0.00 -2.18 -0.27 0.00 -0.52 0.00 0.00 37.83 34.87 2j18 s LYS 145 CO 0.00 0.45 0.35 0.25 -0.92 0.00 0.00 175.35 175.47 2j18 n THR 146 N 0.15 0.81 -4.20 2.17 -2.24 -1.26 -4.87 114.28 104.84 2j18 n THR 146 Ca -0.11 -0.69 -0.12 0.00 -2.27 0.00 0.00 64.05 60.85 2j18 n THR 146 Cb 0.55 -0.32 -0.10 0.00 -2.10 0.00 0.00 70.33 68.36 2j18 n THR 146 CO 0.00 0.00 0.00 -1.00 -0.57 0.00 0.00 175.07 173.50 2j18 s HIS 147 N -2.97 1.05 0.04 4.78 3.76 -1.26 -0.97 115.29 119.72 2j18 s HIS 147 Ca -0.08 -0.83 -0.07 0.00 -0.15 0.00 0.00 55.06 53.93 2j18 s HIS 147 Cb 0.10 -0.57 -0.01 0.00 1.11 0.00 0.00 32.58 33.21 2j18 s HIS 147 CO 0.86 -0.05 0.13 -0.59 -0.85 0.00 0.00 174.74 174.24 2j18 s PHE 148 N -3.38 0.15 0.17 1.40 -0.12 -0.74 -4.93 117.98 110.53 2j18 s PHE 148 Ca 0.13 -0.43 0.02 0.00 -0.05 0.00 0.00 56.93 56.60 2j18 s PHE 148 Cb 0.03 -0.10 0.02 0.00 -0.63 0.00 0.00 43.02 42.34 2j18 s PHE 148 CO -0.02 -0.39 0.16 -0.40 -0.05 0.00 0.00 175.22 174.51 2j18 n ASP 149 N 0.72 1.25 -0.17 1.98 5.68 -1.26 -1.05 116.55 123.70 2j18 n ASP 149 Ca -0.19 -1.53 -0.05 0.00 -0.50 0.00 0.00 54.79 52.52 2j18 n ASP 149 Cb 0.59 -0.05 0.04 0.00 -1.14 0.00 0.00 41.12 40.56 2j18 n ASP 149 CO 0.00 0.00 0.00 1.88 -1.33 0.00 0.00 177.20 177.75 2j18 h TYR 150 N 0.39 0.54 -0.97 2.11 0.05 -1.93 -1.07 116.97 116.09 2j18 h TYR 150 Ca -0.10 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.70 2j18 h TYR 150 Cb 0.38 -0.17 -0.05 0.00 1.01 0.00 0.00 36.73 37.90 2j18 h TYR 150 CO 0.00 0.30 0.61 0.00 -1.05 0.00 0.00 178.16 178.02 2j18 h ALA 151 N 1.24 1.24 -0.29 3.88 0.00 -1.86 -0.91 119.26 122.55 2j18 h ALA 151 Ca 0.21 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 2j18 h ALA 151 Cb 0.05 -0.39 -0.01 0.00 0.00 0.00 0.00 17.79 17.43 2j18 h ALA 151 CO -0.11 0.67 0.16 -0.44 0.00 0.00 0.00 179.25 179.53 2j18 h ASP 152 N 1.33 0.37 -0.78 0.00 3.32 -1.79 -1.86 116.42 117.01 2j18 h ASP 152 Ca 0.35 -0.10 0.02 0.00 0.02 0.00 0.00 57.03 57.32 2j18 h ASP 152 Cb -0.09 -0.09 -0.04 0.00 0.22 0.00 0.00 39.33 39.32 2j18 h ASP 152 CO -0.07 0.36 0.52 -0.03 -1.72 0.00 0.00 179.24 178.30 2j18 h MET 153 N 0.35 0.99 -0.58 3.56 4.05 -0.75 -0.07 114.93 122.48 2j18 h MET 153 Ca 0.10 -0.06 0.00 0.00 -0.28 0.00 0.00 59.70 59.47 2j18 h MET 153 Cb 0.08 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.62 2j18 h MET 153 CO -0.02 0.66 0.37 -0.97 0.23 0.00 0.00 176.91 177.18 2j18 h ASN 154 N 1.02 0.67 -0.74 1.39 -1.24 -0.83 -0.92 115.58 114.93 2j18 h ASN 154 Ca 0.30 -0.03 -0.05 0.00 0.71 0.00 0.00 56.30 57.22 2j18 h ASN 154 Cb -0.06 -0.17 -0.03 0.00 0.73 0.00 0.00 38.32 38.79 2j18 h ASN 154 CO -0.07 0.50 0.25 -0.33 -1.29 0.00 0.00 177.43 176.49 2j18 h GLU 155 N 0.78 1.14 0.33 6.67 4.39 -0.49 -1.58 114.58 125.83 2j18 h GLU 155 Ca 0.21 -0.24 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 2j18 h GLU 155 Cb -0.07 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.40 2j18 h GLU 155 CO -0.04 0.96 -0.23 0.82 -1.16 0.00 0.00 179.01 179.36 2j18 h ILE 156 N 1.10 0.52 -0.38 3.13 2.04 -0.58 -0.86 117.51 122.48 2j18 h ILE 156 Ca 0.24 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.07 2j18 h ILE 156 Cb 0.28 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 2j18 h ILE 156 CO -0.01 0.00 0.11 0.08 0.00 0.00 0.00 178.15 178.33 2j18 h ARG 157 N -0.55 0.55 -0.56 2.37 -0.00 -1.09 -1.25 114.38 113.84 2j18 h ARG 157 Ca -0.03 -0.08 -0.05 0.00 -0.00 0.00 0.00 59.98 59.82 2j18 h ARG 157 Cb 0.47 -0.10 -0.02 0.00 -0.00 0.00 0.00 29.97 30.32 2j18 h ARG 157 CO 0.01 0.49 0.15 -0.07 -0.00 0.00 0.00 179.97 180.55 2j18 h LEU 158 N 0.54 0.83 -0.60 0.08 3.38 -1.05 -0.13 115.31 118.35 2j18 h LEU 158 Ca 0.13 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.90 2j18 h LEU 158 Cb 0.17 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.67 2j18 h LEU 158 CO -0.01 0.84 0.37 -0.61 0.09 0.00 0.00 178.44 179.12 2j18 h GLN 159 N 0.78 0.72 -0.54 1.13 5.75 -0.39 -0.34 115.11 122.22 2j18 h GLN 159 Ca 0.18 -0.04 -0.11 0.00 -0.15 0.00 0.00 58.65 58.53 2j18 h GLN 159 Cb 0.32 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.69 2j18 h GLN 159 CO -0.00 0.48 -0.08 0.00 -2.65 0.00 0.00 178.83 176.58 2j18 h ARG 160 N 0.74 0.99 -0.54 1.69 2.47 -0.98 -1.22 114.38 117.54 2j18 h ARG 160 Ca 0.24 -0.35 -0.02 0.00 -1.26 0.00 0.00 59.98 58.59 2j18 h ARG 160 Cb -0.00 -0.07 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 2j18 h ARG 160 CO -0.09 1.02 0.25 0.93 0.56 0.00 0.00 179.97 182.64 2j18 h GLU 161 N 0.89 0.79 0.04 0.04 5.08 -0.65 -1.31 114.58 119.46 2j18 h GLU 161 Ca 0.15 -0.12 -0.00 0.00 -1.00 0.00 0.00 59.36 58.38 2j18 h GLU 161 Cb 0.63 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.74 2j18 h GLU 161 CO 0.04 0.66 -0.02 1.03 -1.00 0.00 0.00 179.01 179.72 2j18 h SER 162 N 0.73 -0.05 -0.46 1.42 0.87 -0.87 -0.31 113.55 114.88 2j18 h SER 162 Ca 0.18 -0.21 0.04 0.00 -1.23 0.00 0.00 61.79 60.57 2j18 h SER 162 Cb 0.14 0.01 -0.04 0.00 -0.44 0.00 0.00 62.40 62.07 2j18 h SER 162 CO -0.02 0.18 0.24 -0.07 -0.53 0.00 0.00 176.83 176.63 2j18 h LEU 163 N -0.27 0.35 -0.52 2.23 3.38 -1.22 -1.40 115.31 117.86 2j18 h LEU 163 Ca -0.01 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.93 2j18 h LEU 163 Cb 0.25 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 40.94 2j18 h LEU 163 CO 0.01 0.25 0.12 0.28 0.09 0.00 0.00 178.44 179.18 2j18 h SER 164 N 0.47 0.79 -0.24 -0.43 0.02 -1.15 -0.08 113.55 112.93 2j18 h SER 164 Ca 0.20 -0.24 -0.03 0.00 -0.84 0.00 0.00 61.79 60.88 2j18 h SER 164 Cb 0.10 -0.21 -0.02 0.00 0.14 0.00 0.00 62.40 62.41 2j18 h SER 164 CO -0.13 0.82 0.05 -1.13 -1.14 0.00 0.00 176.83 175.30 2j18 h ASN 165 N 0.72 0.44 0.19 3.07 -1.24 -0.78 -1.10 115.58 116.88 2j18 h ASN 165 Ca 0.16 -0.06 -0.26 0.00 0.71 0.00 0.00 56.30 56.84 2j18 h ASN 165 Cb 0.35 -0.11 0.02 0.00 0.73 0.00 0.00 38.32 39.30 2j18 h ASN 165 CO 0.00 0.47 -1.09 -0.33 -1.29 0.00 0.00 177.43 175.19 2j18 h GLU 166 N 0.47 0.56 0.00 6.67 5.08 -0.97 -3.38 114.58 123.00 2j18 h GLU 166 Ca 0.11 -0.66 -0.10 0.00 -1.00 0.00 0.00 59.36 57.70 2j18 h GLU 166 Cb 0.23 0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.66 2j18 h GLU 166 CO 0.00 1.27 -1.48 1.28 -1.00 0.00 0.00 179.01 179.08 2j18 n LEU 167 N -3.78 0.62 -4.78 1.33 4.77 -0.07 -4.94 117.00 110.16 2j18 n LEU 167 Ca -0.10 0.26 -0.36 0.00 -0.03 0.00 0.00 56.01 55.78 2j18 n LEU 167 Cb 0.91 0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 42.03 2j18 n LEU 167 CO 0.55 0.05 0.76 -1.81 -1.33 0.00 0.00 177.39 175.60 2j18 s ASP 168 N -5.39 6.42 0.19 -1.43 1.01 -0.44 -0.77 116.67 116.27 2j18 s ASP 168 Ca -0.04 2.09 -0.32 0.00 0.71 0.00 0.00 52.55 54.99 2j18 s ASP 168 Cb 0.10 -2.58 -0.15 0.00 1.01 0.00 0.00 42.92 41.29 2j18 s ASP 168 CO 0.82 -0.73 1.20 0.33 0.21 0.00 0.00 175.17 177.01 2j18 n PHE 169 N -0.50 1.45 -1.64 4.23 7.35 -0.27 -4.78 117.46 123.30 2j18 n PHE 169 Ca 0.07 0.63 -0.48 0.00 -0.76 0.00 0.00 57.45 56.92 2j18 n PHE 169 Cb 0.50 -2.31 -0.04 0.00 0.35 0.00 0.00 39.48 37.97 2j18 n PHE 169 CO 0.00 0.00 0.00 -2.30 -0.76 0.00 0.00 176.76 173.70 2j18 n PRO 170 N 1.78 1.74 0.00 -7.13 -0.02 -1.26 -1.20 135.00 128.90 2j18 n PRO 170 Ca 0.14 0.62 0.00 0.00 -2.02 0.00 0.00 63.50 62.25 2j18 n PRO 170 Cb 0.26 -2.31 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 2j18 n PRO 170 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2j18 n GLY 171 N 2.83 3.39 0.06 -1.23 0.00 -1.26 -4.91 105.19 104.06 2j18 n GLY 171 Ca 0.16 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.05 2j18 n GLY 171 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 173.32 173.07 2j18 h TRP 172 N 0.00 0.00 -2.11 1.61 2.91 -1.48 -3.46 115.95 113.42 2j18 h TRP 172 Ca 0.00 -0.00 -0.61 0.00 1.13 0.00 0.00 58.89 59.41 2j18 h TRP 172 Cb 0.00 -0.00 0.06 0.00 -0.51 0.00 0.00 29.16 28.71 2j18 h TRP 172 CO 0.00 0.60 0.71 0.34 -1.03 0.00 0.00 178.44 179.06 2j18 n PHE 173 N -4.80 2.07 -3.68 2.65 7.35 -1.26 -4.97 117.46 114.82 2j18 n PHE 173 Ca -0.09 0.37 -0.22 0.00 -0.76 0.00 0.00 57.45 56.74 2j18 n PHE 173 Cb 0.30 -2.49 -0.18 0.00 0.35 0.00 0.00 39.48 37.46 2j18 n PHE 173 CO 0.00 0.00 0.00 0.99 -0.76 0.00 0.00 176.76 176.99 2j18 s THR 174 N 0.83 0.04 0.33 -2.13 2.01 -1.26 -5.10 115.64 110.36 2j18 s THR 174 Ca 0.80 0.17 -0.29 0.00 0.31 0.00 0.00 61.69 62.69 2j18 s THR 174 Cb -0.75 -0.38 -0.10 0.00 0.01 0.00 0.00 72.50 71.27 2j18 s THR 174 CO 0.40 0.07 1.29 -0.70 -0.69 0.00 0.00 174.62 175.00 2j18 s GLU 175 N 2.10 4.37 -0.43 4.92 2.12 -1.26 -4.37 118.70 126.16 2j18 s GLU 175 Ca 0.04 2.19 0.09 0.00 0.36 0.00 0.00 54.97 57.64 2j18 s GLU 175 Cb -0.13 -3.08 0.29 0.00 0.26 0.00 0.00 34.13 31.46 2j18 s GLU 175 CO -0.05 -0.16 0.64 0.43 -0.54 0.00 0.00 175.26 175.58 2j18 n SER 176 N 0.86 1.13 -0.18 -1.70 7.64 -1.26 -4.97 113.62 115.14 2j18 n SER 176 Ca 0.00 -2.95 -0.08 0.00 1.01 0.00 0.00 58.87 56.84 2j18 n SER 176 Cb 0.42 -0.63 0.01 0.00 -1.01 0.00 0.00 64.21 63.00 2j18 n SER 176 CO 0.00 0.00 0.00 0.11 -3.01 0.00 0.00 175.04 172.14 2j18 h LYS 177 N 3.64 0.80 -0.18 1.43 1.57 -1.97 -2.18 116.57 119.70 2j18 h LYS 177 Ca 0.10 -0.17 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2j18 h LYS 177 Cb 0.85 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 33.04 2j18 h LYS 177 CO 0.55 0.74 0.08 -1.35 -0.57 0.00 0.00 179.45 178.90 2j18 h PRO 178 N 0.71 0.25 -0.09 3.15 0.11 -1.94 -0.83 132.00 133.36 2j18 h PRO 178 Ca 0.17 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 66.21 2j18 h PRO 178 Cb 0.27 -0.05 -0.00 0.00 0.11 0.00 0.00 31.00 31.34 2j18 h PRO 178 CO -0.01 0.29 -0.07 0.82 -0.21 0.00 0.00 178.00 178.82 2j18 h ILE 179 N 0.15 1.36 -0.83 4.15 2.04 -1.91 -2.81 117.51 119.67 2j18 h ILE 179 Ca 0.06 -1.20 0.12 0.00 1.00 0.00 0.00 64.86 64.84 2j18 h ILE 179 Cb 0.12 1.97 -0.08 0.00 -0.74 0.00 0.00 36.82 38.08 2j18 h ILE 179 CO -0.01 0.34 0.44 -0.61 0.00 0.00 0.00 178.15 178.31 2j18 h GLN 180 N -0.21 0.67 0.00 2.37 4.15 -1.39 -2.47 115.11 118.23 2j18 h GLN 180 Ca 0.02 -0.04 0.00 0.00 0.77 0.00 0.00 58.65 59.39 2j18 h GLN 180 Cb 0.57 -0.15 0.00 0.00 0.21 0.00 0.00 27.48 28.11 2j18 h GLN 180 CO 0.02 0.44 -0.37 0.09 -1.93 0.00 0.00 178.83 177.08 2j18 n ASN 181 N -4.82 0.60 -0.12 -0.69 3.02 -0.32 -0.26 115.26 112.67 2j18 n ASN 181 Ca 0.15 0.22 -0.09 0.00 -0.03 0.00 0.00 54.58 54.83 2j18 n ASN 181 Cb 0.36 -0.15 -0.01 0.00 -0.61 0.00 0.00 39.78 39.37 2j18 n ASN 181 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 2j18 h VAL 182 N 0.00 1.18 -0.43 2.41 2.07 -1.21 -1.03 116.25 119.24 2j18 h VAL 182 Ca 0.00 -0.55 -0.06 0.00 0.82 0.00 0.00 66.70 66.91 2j18 h VAL 182 Cb 0.67 0.85 -0.02 0.00 -1.52 0.00 0.00 31.29 31.27 2j18 h VAL 182 CO 0.00 0.20 0.02 -0.33 0.02 0.00 0.00 177.57 177.48 2j18 h GLU 183 N 0.46 0.68 -0.29 1.57 5.08 -0.70 0.18 114.58 121.55 2j18 h GLU 183 Ca 0.13 -0.16 0.06 0.00 -1.00 0.00 0.00 59.36 58.38 2j18 h GLU 183 Cb 0.16 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.27 2j18 h GLU 183 CO -0.01 0.68 -0.04 0.77 -1.00 0.00 0.00 179.01 179.41 2j18 h SER 184 N 0.65 -0.21 -0.67 1.42 0.02 -0.43 -1.12 113.55 113.21 2j18 h SER 184 Ca 0.13 0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.16 2j18 h SER 184 Cb 0.38 0.16 -0.03 0.00 0.14 0.00 0.00 62.40 63.04 2j18 h SER 184 CO 0.01 -0.07 0.42 1.23 -1.14 0.00 0.00 176.83 177.29 2j18 h GLY 185 N 0.04 0.96 0.88 -3.77 0.00 -0.25 -2.01 103.07 98.91 2j18 h GLY 185 Ca 0.14 -0.37 0.03 0.00 0.00 0.00 0.00 47.33 47.13 2j18 h GLY 185 CO -0.28 0.36 0.48 0.74 0.00 0.00 0.00 176.54 177.85 2j18 h PHE 186 N 0.92 0.90 -0.28 5.60 0.04 -0.11 0.40 116.94 124.40 2j18 h PHE 186 Ca 0.24 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 61.03 2j18 h PHE 186 Cb -0.07 -0.30 -0.01 0.00 2.20 0.00 0.00 35.95 37.77 2j18 h PHE 186 CO 0.00 0.52 0.14 0.82 -0.60 0.00 0.00 178.31 179.19 2j18 h ILE 187 N 0.94 1.14 -0.82 -0.55 2.04 -0.52 -0.18 117.51 119.56 2j18 h ILE 187 Ca 0.30 -0.39 0.01 0.00 1.00 0.00 0.00 64.86 65.78 2j18 h ILE 187 Cb 0.00 0.88 -0.04 0.00 -0.74 0.00 0.00 36.82 36.92 2j18 h ILE 187 CO -0.11 0.14 0.54 -0.26 0.00 0.00 0.00 178.15 178.47 2j18 h PHE 188 N 0.33 1.02 -0.50 1.37 0.04 -1.11 -0.55 116.94 117.54 2j18 h PHE 188 Ca 0.10 0.02 -0.12 0.00 2.80 0.00 0.00 57.97 60.77 2j18 h PHE 188 Cb 0.09 -0.34 -0.02 0.00 2.20 0.00 0.00 35.95 37.88 2j18 h PHE 188 CO -0.02 0.63 -0.15 0.00 -0.60 0.00 0.00 178.31 178.16 2j18 h ALA 189 N 1.50 0.78 0.08 2.45 0.00 -0.39 -2.36 119.26 121.32 2j18 h ALA 189 Ca 0.31 -0.36 -0.25 0.00 0.00 0.00 0.00 54.91 54.60 2j18 h ALA 189 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 2j18 h ALA 189 CO -0.07 0.66 -1.29 1.25 0.00 0.00 0.00 179.25 179.80 2j18 h LEU 190 N 0.86 0.27 -2.84 0.00 5.85 -0.77 -3.42 115.31 115.26 2j18 h LEU 190 Ca 0.13 -0.80 0.00 0.00 0.84 0.00 0.00 57.88 58.04 2j18 h LEU 190 Cb 0.71 -0.09 0.00 0.00 0.37 0.00 0.00 40.66 41.65 2j18 h LEU 190 CO 0.05 1.55 -0.07 1.33 -0.34 0.00 0.00 178.44 180.96 2j18 n VAL 191 N -4.06 1.57 -1.69 1.05 0.24 -0.24 -4.78 118.33 110.43 2j18 n VAL 191 Ca -0.25 -1.88 -0.32 0.00 -2.04 0.00 0.00 64.34 59.85 2j18 n VAL 191 Cb 0.83 -0.10 0.04 0.00 -1.47 0.00 0.00 33.84 33.14 2j18 n VAL 191 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 2j18 s SER 192 N -2.52 5.35 -0.87 -1.34 1.04 -0.89 -1.60 113.70 112.87 2j18 s SER 192 Ca 0.26 1.74 -0.22 0.00 0.48 0.00 0.00 55.95 58.21 2j18 s SER 192 Cb 0.23 -2.52 0.08 0.00 0.10 0.00 0.00 66.02 63.91 2j18 s SER 192 CO 0.02 -1.46 1.21 -0.62 0.98 0.00 0.00 173.24 173.37 2j18 s ASP 193 N -3.33 6.43 0.00 7.02 -1.08 0.73 -4.79 116.67 121.66 2j18 s ASP 193 Ca 0.61 -1.42 0.16 0.00 -0.52 0.00 0.00 52.55 51.38 2j18 s ASP 193 Cb -0.16 -2.48 0.82 0.00 -1.46 0.00 0.00 42.92 39.64 2j18 s ASP 193 CO 0.48 -1.39 1.47 2.22 0.52 0.00 0.00 175.17 178.48 2j18 n PHE 194 N 7.89 0.00 1.31 -5.34 1.16 -1.26 -2.18 117.46 119.03 2j18 n PHE 194 Ca 0.18 0.00 0.14 0.00 -1.87 0.00 0.00 57.45 55.90 2j18 n PHE 194 Cb 0.49 -0.29 0.62 0.00 -1.61 0.00 0.00 39.48 38.69 2j18 n PHE 194 CO 0.00 0.00 0.00 0.09 -1.87 0.00 0.00 176.76 174.98 2j18 n ASN 195 N -1.29 0.28 -4.82 5.98 5.03 -1.26 -4.80 115.26 114.38 2j18 n ASN 195 Ca 0.08 -0.26 -0.37 0.00 0.87 0.00 0.00 54.58 54.89 2j18 n ASN 195 Cb 0.13 -0.16 -0.06 0.00 -1.02 0.00 0.00 39.78 38.67 2j18 n ASN 195 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2j18 s LEU 196 N -2.63 4.45 0.46 3.41 1.43 -0.93 -5.00 118.68 119.87 2j18 s LEU 196 Ca 0.25 1.22 0.13 0.00 -1.03 0.00 0.00 54.13 54.69 2j18 s LEU 196 Cb 0.20 -3.09 1.07 0.00 0.03 0.00 0.00 46.19 44.40 2j18 s LEU 196 CO 0.50 0.19 2.08 1.55 0.23 0.00 0.00 176.35 180.90 2j18 h PRO 197 N 4.09 0.28 -0.70 1.29 0.13 -1.89 -2.67 132.00 132.54 2j18 h PRO 197 Ca -0.49 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 64.28 2j18 h PRO 197 Cb 1.20 -0.06 -0.21 0.00 0.13 0.00 0.00 31.00 32.07 2j18 h PRO 197 CO 0.64 0.19 0.31 -0.40 -0.23 0.00 0.00 178.00 178.51 2j18 n ASP 198 N -4.49 3.33 -0.13 1.44 5.75 -1.26 -4.74 116.55 116.44 2j18 n ASP 198 Ca 0.02 -3.63 -0.05 0.00 -0.01 0.00 0.00 54.79 51.12 2j18 n ASP 198 Cb 0.16 -0.74 0.03 0.00 -1.03 0.00 0.00 41.12 39.54 2j18 n ASP 198 CO 0.00 0.00 0.00 -1.13 -0.11 0.00 0.00 177.20 175.96 2j18 h ASN 199 N 1.16 0.18 -0.63 -1.12 -0.73 -1.74 0.23 115.58 112.94 2j18 h ASN 199 Ca 0.42 0.04 -0.03 0.00 1.87 0.00 0.00 56.30 58.61 2j18 h ASN 199 Cb 2.31 0.02 -0.03 0.00 0.27 0.00 0.00 38.32 40.89 2j18 h ASN 199 CO 0.77 0.14 0.28 0.44 -0.37 0.00 0.00 177.43 178.69 2j18 h ASP 200 N 0.33 0.85 0.94 1.15 3.32 -1.87 -2.14 116.42 119.00 2j18 h ASP 200 Ca 0.19 -0.15 -0.21 0.00 0.02 0.00 0.00 57.03 56.88 2j18 h ASP 200 Cb 0.17 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.47 2j18 h ASP 200 CO -0.19 0.76 -1.10 1.05 -1.72 0.00 0.00 179.24 178.04 2j18 h GLU 201 N 0.88 0.00 -1.90 3.56 4.11 -1.90 -3.41 114.58 115.92 2j18 h GLU 201 Ca 0.22 0.00 -0.48 0.00 0.07 0.00 0.00 59.36 59.17 2j18 h GLU 201 Cb 0.16 0.00 -0.39 0.00 0.50 0.00 0.00 28.75 29.02 2j18 h GLU 201 CO -0.02 0.83 -1.15 -1.71 0.07 0.00 0.00 179.01 177.03 2j18 n ASN 202 N -3.26 0.57 -4.77 3.06 5.15 0.81 -5.13 115.26 111.69 2j18 n ASN 202 Ca -0.03 -3.00 -0.41 0.00 -0.60 0.00 0.00 54.58 50.54 2j18 n ASN 202 Cb 0.94 -0.50 -0.02 0.00 -0.53 0.00 0.00 39.78 39.67 2j18 n ASN 202 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 2j18 s PRO 203 N -2.11 4.34 -0.14 1.20 0.04 -0.82 -4.68 135.00 132.85 2j18 s PRO 203 Ca 0.38 2.22 0.02 0.00 0.04 0.00 0.00 61.00 63.67 2j18 s PRO 203 Cb 0.32 -3.06 0.01 0.00 0.04 0.00 0.00 34.50 31.81 2j18 s PRO 203 CO -0.08 -0.20 -0.21 -0.51 0.04 0.00 0.00 177.00 176.04 2j18 s LEU 204 N -1.81 2.05 0.12 -3.56 1.43 -1.26 -4.62 118.68 111.03 2j18 s LEU 204 Ca 0.49 -0.58 -0.31 0.00 -1.03 0.00 0.00 54.13 52.70 2j18 s LEU 204 Cb -0.40 -1.39 -0.08 0.00 0.03 0.00 0.00 46.19 44.35 2j18 s LEU 204 CO 0.53 0.07 1.42 -0.69 0.23 0.00 0.00 176.35 177.91 2j18 s VAL 205 N 0.87 3.19 -0.37 -1.59 1.01 -0.21 -0.19 120.40 123.10 2j18 s VAL 205 Ca -0.06 0.85 -0.28 0.00 0.00 0.00 0.00 61.98 62.48 2j18 s VAL 205 Cb -0.15 -3.55 0.02 0.00 0.00 0.00 0.00 36.38 32.70 2j18 s VAL 205 CO -0.02 0.07 1.07 -0.13 0.00 0.00 0.00 175.10 176.08 2j18 s ARG 206 N 1.12 3.94 0.24 2.72 0.52 -0.63 -1.79 118.95 125.07 2j18 s ARG 206 Ca 0.66 0.86 -0.06 0.00 -0.52 0.00 0.00 55.73 56.66 2j18 s ARG 206 Cb -0.38 -3.79 0.23 0.00 0.52 0.00 0.00 34.95 31.53 2j18 s ARG 206 CO 0.30 -1.04 1.86 0.82 0.02 0.00 0.00 175.30 177.26 2j18 h ILE 207 N 5.88 1.26 -0.79 1.52 2.04 -1.38 -1.76 117.51 124.27 2j18 h ILE 207 Ca -0.22 -0.65 -0.05 0.00 1.00 0.00 0.00 64.86 64.95 2j18 h ILE 207 Cb 1.06 0.07 -0.03 0.00 -0.74 0.00 0.00 36.82 37.18 2j18 h ILE 207 CO 1.05 0.29 0.31 -2.24 0.00 0.00 0.00 178.15 177.56 2j18 h ASP 208 N 1.24 1.10 -0.34 1.72 2.03 -1.92 0.57 116.42 120.82 2j18 h ASP 208 Ca 0.31 -0.18 0.01 0.00 -0.73 0.00 0.00 57.03 56.44 2j18 h ASP 208 Cb 0.04 -0.29 -0.02 0.00 -0.83 0.00 0.00 39.33 38.23 2j18 h ASP 208 CO -0.05 0.98 0.21 -0.50 -1.03 0.00 0.00 179.24 178.85 2j18 h TRP 209 N 1.16 0.40 -0.09 4.15 6.55 -1.82 -0.69 115.95 125.61 2j18 h TRP 209 Ca 0.26 0.01 0.00 0.00 0.95 0.00 0.00 58.89 60.12 2j18 h TRP 209 Cb 0.23 -0.13 -0.00 0.00 -0.86 0.00 0.00 29.16 28.39 2j18 h TRP 209 CO 0.02 0.24 0.06 2.35 -1.05 0.00 0.00 178.44 180.07 2j18 h TRP 210 N 0.43 0.12 -0.93 0.49 7.01 -0.85 -1.28 115.95 120.95 2j18 h TRP 210 Ca 0.13 0.00 -0.00 0.00 2.11 0.00 0.00 58.89 61.13 2j18 h TRP 210 Cb -0.02 -0.04 -0.05 0.00 -2.10 0.00 0.00 29.16 26.95 2j18 h TRP 210 CO -0.07 0.08 0.58 -0.22 -2.79 0.00 0.00 178.44 176.02 2j18 h LYS 211 N 0.13 1.25 0.07 2.65 3.64 -0.77 -1.52 116.57 122.02 2j18 h LYS 211 Ca 0.03 -0.10 -0.00 0.00 -1.27 0.00 0.00 60.65 59.31 2j18 h LYS 211 Cb -0.01 -0.27 0.00 0.00 -0.41 0.00 0.00 32.23 31.54 2j18 h LYS 211 CO -0.01 0.86 -0.03 -0.92 -2.27 0.00 0.00 179.45 177.07 2j18 h TYR 212 N 1.27 -0.09 -0.24 1.91 5.03 -0.95 -0.02 116.97 123.87 2j18 h TYR 212 Ca 0.33 -0.00 0.04 0.00 2.58 0.00 0.00 58.73 61.68 2j18 h TYR 212 Cb -0.09 0.03 -0.04 0.00 1.55 0.00 0.00 36.73 38.19 2j18 h TYR 212 CO 0.00 0.11 0.02 2.35 -1.32 0.00 0.00 178.16 179.31 2j18 h TRP 213 N -0.27 0.02 -0.12 -3.82 7.01 -0.98 0.17 115.95 117.97 2j18 h TRP 213 Ca -0.01 0.02 -0.10 0.00 2.11 0.00 0.00 58.89 60.90 2j18 h TRP 213 Cb 0.23 0.03 0.00 0.00 -2.10 0.00 0.00 29.16 27.32 2j18 h TRP 213 CO -0.02 -0.01 -0.34 0.74 -2.79 0.00 0.00 178.44 176.02 2j18 h PHE 214 N 0.10 0.56 -0.20 2.65 -1.00 -1.25 -0.03 116.94 117.77 2j18 h PHE 214 Ca 0.11 -0.22 -0.17 0.00 2.81 0.00 0.00 57.97 60.50 2j18 h PHE 214 Cb 0.14 -0.10 0.00 0.00 3.61 0.00 0.00 35.95 39.60 2j18 h PHE 214 CO -0.18 0.95 -0.56 1.15 -1.61 0.00 0.00 178.31 178.06 2j18 h THR 215 N 0.01 1.30 0.00 -1.55 2.02 -0.93 -3.31 112.91 110.46 2j18 h THR 215 Ca -0.01 -1.78 0.00 0.00 0.77 0.00 0.00 66.41 65.40 2j18 h THR 215 Cb 0.95 1.87 0.00 0.00 -1.74 0.00 0.00 68.15 69.24 2j18 h THR 215 CO 0.07 0.56 -1.18 0.59 0.37 0.00 0.00 175.52 175.93 2j18 n ASN 216 N -4.09 0.56 -4.16 4.18 3.02 0.04 -4.48 115.26 110.33 2j18 n ASN 216 Ca -0.06 -0.14 -0.31 0.00 -0.03 0.00 0.00 54.58 54.04 2j18 n ASN 216 Cb 0.63 0.95 -0.04 0.00 -0.61 0.00 0.00 39.78 40.70 2j18 n ASN 216 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2j18 n GLU 217 N -2.09 -2.60 -4.01 3.52 1.02 -0.02 -4.68 120.64 111.78 2j18 n GLU 217 Ca 0.01 0.31 -0.14 0.00 -0.02 0.00 0.00 57.16 57.32 2j18 n GLU 217 Cb 0.47 -4.55 -0.03 0.00 -0.02 0.00 0.00 31.44 27.31 2j18 n GLU 217 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2j18 n SER 218 N -2.82 -1.47 -4.83 1.62 2.88 -1.25 -3.94 113.62 103.81 2j18 n SER 218 Ca -0.15 -2.91 -0.36 0.00 -1.33 0.00 0.00 58.87 54.12 2j18 n SER 218 Cb 0.61 2.70 -0.07 0.00 -0.75 0.00 0.00 64.21 66.70 2j18 n SER 218 CO 0.00 0.00 0.00 -0.36 -1.23 0.00 0.00 175.04 173.45 2j18 s PHE 219 N -2.82 3.55 0.00 0.66 0.08 -1.26 -4.10 117.98 114.09 2j18 s PHE 219 Ca 0.28 0.48 -0.02 0.00 0.12 0.00 0.00 56.93 57.80 2j18 s PHE 219 Cb -0.01 -2.02 -0.10 0.00 -0.57 0.00 0.00 43.02 40.32 2j18 s PHE 219 CO 0.20 0.60 2.49 -0.35 -0.10 0.00 0.00 175.22 178.07 2j18 n PRO 220 N 2.44 1.31 -0.30 0.24 -0.04 -1.26 -4.55 135.00 132.85 2j18 n PRO 220 Ca -0.19 -0.38 0.16 0.00 -0.04 0.00 0.00 63.50 63.06 2j18 n PRO 220 Cb 0.54 -1.41 0.42 0.00 -0.04 0.00 0.00 33.50 33.01 2j18 n PRO 220 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 2j18 h TYR 221 N 2.02 0.79 0.00 0.54 0.05 -1.93 -0.92 116.97 117.52 2j18 h TYR 221 Ca 0.07 0.02 0.00 0.00 0.05 0.00 0.00 58.73 58.88 2j18 h TYR 221 Cb 1.13 -0.24 0.00 0.00 1.01 0.00 0.00 36.73 38.63 2j18 h TYR 221 CO 0.85 0.20 0.00 0.45 -1.05 0.00 0.00 178.16 178.61 2j18 h HIS 222 N 0.58 0.00 -0.62 4.88 3.86 -1.88 -1.40 115.15 120.58 2j18 h HIS 222 Ca 0.52 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.73 2j18 h HIS 222 Cb 1.03 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.50 2j18 h HIS 222 CO -0.00 0.00 0.00 1.28 0.86 0.00 0.00 177.93 180.07 2j18 n LEU 223 N -3.06 3.68 0.00 2.43 4.77 -0.37 -4.94 117.00 119.52 2j18 n LEU 223 Ca -0.00 -1.85 0.00 0.00 -0.03 0.00 0.00 56.01 54.13 2j18 n LEU 223 Cb 0.24 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 2j18 n LEU 223 CO 0.25 0.81 0.00 0.61 -1.33 0.00 0.00 177.39 177.73 2j18 n GLY 224 N 1.36 0.72 3.76 -0.72 0.00 -0.53 -5.02 105.19 104.76 2j18 n GLY 224 Ca 0.22 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.86 2j18 n GLY 224 CO 0.00 0.00 0.00 0.86 0.00 0.00 0.00 173.32 174.18 2j18 s TRP 225 N -2.77 2.50 0.12 1.61 -0.00 -1.07 -4.99 118.94 114.34 2j18 s TRP 225 Ca 0.00 1.47 -0.08 0.00 -0.00 0.00 0.00 56.10 57.49 2j18 s TRP 225 Cb 0.00 -3.58 -0.01 0.00 -0.00 0.00 0.00 33.47 29.88 2j18 s TRP 225 CO 0.00 -2.27 0.20 -3.38 -0.00 0.00 0.00 176.95 171.51 2j18 s HIS 226 N -1.46 0.32 0.21 5.86 -3.43 -1.26 -4.25 115.29 111.29 2j18 s HIS 226 Ca 0.71 -0.73 -0.32 0.00 -0.80 0.00 0.00 55.06 53.92 2j18 s HIS 226 Cb -0.34 -0.11 -0.14 0.00 -1.43 0.00 0.00 32.58 30.56 2j18 s HIS 226 CO 0.39 -0.60 1.40 -2.30 -2.00 0.00 0.00 174.74 171.64 2j18 n PRO 227 N -0.11 1.91 -1.60 -0.38 -0.02 -1.26 -4.89 135.00 128.65 2j18 n PRO 227 Ca -0.11 0.68 -0.48 0.00 -2.02 0.00 0.00 63.50 61.57 2j18 n PRO 227 Cb 0.63 -2.34 -0.04 0.00 -0.02 0.00 0.00 33.50 31.73 2j18 n PRO 227 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2j18 n PRO 228 N 2.26 1.42 -3.92 0.52 -0.02 -1.26 -4.84 135.00 129.16 2j18 n PRO 228 Ca 0.13 0.50 -0.22 0.00 -2.02 0.00 0.00 63.50 61.90 2j18 n PRO 228 Cb 0.30 -2.04 -0.17 0.00 -0.02 0.00 0.00 33.50 31.56 2j18 n PRO 228 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2j18 s SER 229 N 0.06 1.39 0.91 2.55 0.15 -1.26 -3.47 113.70 114.04 2j18 s SER 229 Ca 0.71 -0.12 -0.11 0.00 0.70 0.00 0.00 55.95 57.13 2j18 s SER 229 Cb -0.79 -0.47 0.14 0.00 -1.71 0.00 0.00 66.02 63.19 2j18 s SER 229 CO 0.52 -0.14 1.09 -2.16 1.20 0.00 0.00 173.24 173.75 2j18 s PRO 230 N 1.57 1.10 0.31 5.44 0.04 -1.26 -5.07 135.00 137.12 2j18 s PRO 230 Ca -0.01 1.00 -0.28 0.00 0.04 0.00 0.00 61.00 61.74 2j18 s PRO 230 Cb -0.13 -1.78 -0.13 0.00 0.04 0.00 0.00 34.50 32.50 2j18 s PRO 230 CO -0.04 -2.40 1.18 0.00 0.04 0.00 0.00 177.00 175.78 2j18 n ALA 231 N -4.02 0.59 -1.77 8.56 0.00 -1.23 -4.92 120.51 117.73 2j18 n ALA 231 Ca 0.08 0.38 -0.39 0.00 0.00 0.00 0.00 53.44 53.50 2j18 n ALA 231 Cb 0.54 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.84 2j18 n ALA 231 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2j18 s ARG 232 N -1.58 3.90 0.39 0.00 1.81 0.21 -4.68 118.95 119.01 2j18 s ARG 232 Ca 0.58 2.21 0.08 0.00 -1.72 0.00 0.00 55.73 56.88 2j18 s ARG 232 Cb -0.64 -2.73 -0.05 0.00 -0.45 0.00 0.00 34.95 31.08 2j18 s ARG 232 CO 0.60 -0.57 0.16 -1.21 -0.68 0.00 0.00 175.30 173.60 2j18 s GLU 233 N -2.29 2.24 0.33 3.54 0.41 -1.26 -1.21 118.70 120.45 2j18 s GLU 233 Ca 0.58 -1.78 0.01 0.00 -0.41 0.00 0.00 54.97 53.37 2j18 s GLU 233 Cb -0.39 -2.01 0.58 0.00 -1.78 0.00 0.00 34.13 30.53 2j18 s GLU 233 CO 0.50 -0.05 1.98 0.97 -0.49 0.00 0.00 175.26 178.17 2j18 h ILE 234 N 1.48 1.18 -0.68 -1.63 6.09 -1.91 -2.15 117.51 119.88 2j18 h ILE 234 Ca -0.43 -0.38 0.09 0.00 -1.37 0.00 0.00 64.86 62.77 2j18 h ILE 234 Cb 1.25 0.26 -0.07 0.00 0.47 0.00 0.00 36.82 38.73 2j18 h ILE 234 CO 0.68 0.18 0.32 -0.08 -3.07 0.00 0.00 178.15 176.19 2j18 h GLU 235 N 0.89 0.53 -0.40 2.19 4.22 -1.96 -0.70 114.58 119.34 2j18 h GLU 235 Ca 0.23 -0.03 0.04 0.00 0.08 0.00 0.00 59.36 59.68 2j18 h GLU 235 Cb -0.05 -0.12 -0.04 0.00 0.50 0.00 0.00 28.75 29.04 2j18 h GLU 235 CO -0.05 0.35 0.17 0.35 -2.18 0.00 0.00 179.01 177.66 2j18 h PHE 236 N 0.55 0.32 0.00 0.92 3.04 -1.81 -0.38 116.94 119.58 2j18 h PHE 236 Ca 0.34 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.30 2j18 h PHE 236 Cb 0.37 -0.08 0.00 0.00 2.56 0.00 0.00 35.95 38.79 2j18 h PHE 236 CO -0.12 0.15 -0.00 0.28 -2.02 0.00 0.00 178.31 176.60 2j18 h VAL 237 N 0.36 1.11 -0.02 1.41 2.07 -1.28 -0.85 116.25 119.05 2j18 h VAL 237 Ca 0.18 -0.34 -0.17 0.00 0.82 0.00 0.00 66.70 67.19 2j18 h VAL 237 Cb 0.12 1.34 -0.01 0.00 -1.52 0.00 0.00 31.29 31.22 2j18 h VAL 237 CO -0.15 0.09 -0.75 0.71 0.02 0.00 0.00 177.57 177.49 2j18 h THR 238 N -0.14 1.47 -0.39 2.57 1.35 -1.06 -0.40 112.91 116.31 2j18 h THR 238 Ca -0.00 -2.39 0.01 0.00 -0.55 0.00 0.00 66.41 63.49 2j18 h THR 238 Cb 0.14 2.29 -0.02 0.00 -1.73 0.00 0.00 68.15 68.83 2j18 h THR 238 CO 0.00 0.69 0.24 -1.28 -0.25 0.00 0.00 175.52 174.92 2j18 h SER 239 N 0.10 0.40 -0.72 5.36 0.87 -1.04 -0.30 113.55 118.22 2j18 h SER 239 Ca -0.02 -0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.53 2j18 h SER 239 Cb 1.32 -0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 63.16 2j18 h SER 239 CO 0.11 0.29 0.44 0.00 -0.53 0.00 0.00 176.83 177.14 2j18 h ALA 240 N 1.16 0.92 -0.10 6.23 0.00 -0.92 0.17 119.26 126.73 2j18 h ALA 240 Ca 0.15 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 55.00 2j18 h ALA 240 Cb -0.02 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.46 2j18 h ALA 240 CO -0.06 0.38 -0.04 1.03 0.00 0.00 0.00 179.25 180.56 2j18 h SER 241 N 0.98 -0.15 -0.66 0.00 0.87 -0.86 -0.33 113.55 113.40 2j18 h SER 241 Ca 0.26 0.04 -0.02 0.00 -1.23 0.00 0.00 61.79 60.84 2j18 h SER 241 Cb -0.04 0.09 -0.03 0.00 -0.44 0.00 0.00 62.40 61.97 2j18 h SER 241 CO -0.05 -0.06 0.34 -1.28 -0.53 0.00 0.00 176.83 175.25 2j18 h SER 242 N -0.03 0.86 -0.76 6.23 0.87 -0.79 -2.80 113.55 117.12 2j18 h SER 242 Ca 0.06 -0.12 -0.05 0.00 -1.23 0.00 0.00 61.79 60.44 2j18 h SER 242 Cb 0.12 -0.22 -0.03 0.00 -0.44 0.00 0.00 62.40 61.82 2j18 h SER 242 CO -0.12 0.73 0.26 0.00 -0.53 0.00 0.00 176.83 177.17 2j18 h ALA 243 N 1.16 0.99 -0.05 6.23 0.00 -0.56 0.40 119.26 127.42 2j18 h ALA 243 Ca 0.23 -0.21 0.03 0.00 0.00 0.00 0.00 54.91 54.96 2j18 h ALA 243 Cb 0.09 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 2j18 h ALA 243 CO -0.03 0.65 -0.16 0.28 0.00 0.00 0.00 179.25 180.00 2j18 h VAL 244 N 1.12 0.61 0.00 0.00 2.07 -0.91 -2.24 116.25 116.89 2j18 h VAL 244 Ca 0.25 0.00 -0.00 0.00 0.82 0.00 0.00 66.70 67.77 2j18 h VAL 244 Cb 0.27 0.61 -0.00 0.00 -1.52 0.00 0.00 31.29 30.65 2j18 h VAL 244 CO -0.01 0.00 -0.01 -0.07 0.02 0.00 0.00 177.57 177.50 2j18 h LEU 245 N -0.23 0.00 0.00 2.57 3.38 -1.21 -2.65 115.31 117.17 2j18 h LEU 245 Ca 0.07 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.04 2j18 h LEU 245 Cb 0.33 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.08 2j18 h LEU 245 CO -0.19 0.01 -0.13 0.00 0.09 0.00 0.00 178.44 178.22 2j18 h ALA 246 N 1.99 0.92 -2.74 1.53 0.00 -0.64 -3.38 119.26 116.95 2j18 h ALA 246 Ca -0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 2j18 h ALA 246 Cb 0.71 0.00 0.02 0.00 0.00 0.00 0.00 17.79 18.52 2j18 h ALA 246 CO 0.00 0.00 0.53 0.00 0.00 0.00 0.00 179.25 179.78 2j18 s ALA 247 N -3.14 3.43 0.26 0.00 0.00 -0.87 -4.95 121.76 116.48 2j18 s ALA 247 Ca 0.09 0.95 -0.30 0.00 0.00 0.00 0.00 51.96 52.70 2j18 s ALA 247 Cb 0.11 -3.38 -0.10 0.00 0.00 0.00 0.00 23.12 19.75 2j18 s ALA 247 CO 0.64 -0.30 1.43 0.45 0.00 0.00 0.00 175.76 177.98 2j18 s SER 248 N -0.33 6.66 -0.24 0.00 0.15 -1.26 -4.96 113.70 113.72 2j18 s SER 248 Ca 0.49 2.67 -0.20 0.00 0.70 0.00 0.00 55.95 59.61 2j18 s SER 248 Cb -0.33 -2.63 -0.02 0.00 -1.71 0.00 0.00 66.02 61.33 2j18 s SER 248 CO 0.40 -0.69 0.61 -0.69 1.20 0.00 0.00 173.24 174.06 2j18 s VAL 249 N -0.10 5.01 -0.51 4.45 1.01 -1.26 -4.93 120.40 124.07 2j18 s VAL 249 Ca 0.58 1.10 0.12 0.00 0.00 0.00 0.00 61.98 63.78 2j18 s VAL 249 Cb -0.42 -3.91 -0.13 0.00 0.00 0.00 0.00 36.38 31.92 2j18 s VAL 249 CO 0.44 0.07 0.48 0.35 0.00 0.00 0.00 175.10 176.44 2j18 n THR 250 N 5.02 0.00 -3.65 3.92 -2.24 -1.26 -4.86 114.28 111.21 2j18 n THR 250 Ca -0.02 -0.23 -0.22 0.00 -2.27 0.00 0.00 64.05 61.32 2j18 n THR 250 Cb 0.49 0.94 -0.18 0.00 -2.10 0.00 0.00 70.33 69.49 2j18 n THR 250 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 2j18 s SER 251 N -2.21 1.54 -0.29 3.42 0.15 -1.26 -5.13 113.70 109.92 2j18 s SER 251 Ca 0.04 -0.15 -0.08 0.00 0.70 0.00 0.00 55.95 56.46 2j18 s SER 251 Cb 0.09 -0.16 -0.01 0.00 -1.71 0.00 0.00 66.02 64.23 2j18 s SER 251 CO 0.48 -0.28 0.10 -0.89 1.20 0.00 0.00 173.24 173.85 2j18 s THR 252 N 2.16 4.29 0.62 6.45 2.01 -1.26 -4.99 115.64 124.92 2j18 s THR 252 Ca 0.04 -0.46 -0.15 0.00 0.31 0.00 0.00 61.69 61.43 2j18 s THR 252 Cb -0.13 -3.15 -0.02 0.00 0.01 0.00 0.00 72.50 69.21 2j18 s THR 252 CO -0.05 0.14 1.07 -2.84 -0.69 0.00 0.00 174.62 172.25 2j18 s PRO 253 N 1.57 3.12 0.75 4.92 0.02 -1.26 -5.05 135.00 139.07 2j18 s PRO 253 Ca 0.04 1.24 -0.12 0.00 0.02 0.00 0.00 61.00 62.19 2j18 s PRO 253 Cb -0.17 -2.00 0.04 0.00 0.02 0.00 0.00 34.50 32.39 2j18 s PRO 253 CO 0.04 -0.98 1.12 -1.12 -0.33 0.00 0.00 177.00 175.73 2j18 s SER 254 N -2.81 5.08 -1.34 2.53 0.01 -1.26 -4.31 113.70 111.60 2j18 s SER 254 Ca 0.64 1.06 0.00 0.00 1.31 0.00 0.00 55.95 58.96 2j18 s SER 254 Cb -0.17 -1.77 0.00 0.00 0.21 0.00 0.00 66.02 64.29 2j18 s SER 254 CO 0.40 -1.57 0.00 -1.20 0.41 0.00 0.00 173.24 171.28 2j18 n SER 255 N -3.14 -4.58 -4.78 2.44 7.64 -1.26 -4.71 113.62 105.23 2j18 n SER 255 Ca 0.07 0.06 -0.37 0.00 1.01 0.00 0.00 58.87 59.64 2j18 n SER 255 Cb 0.58 -3.66 -0.03 0.00 -1.01 0.00 0.00 64.21 60.09 2j18 n SER 255 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 2j18 s LEU 256 N -4.12 4.13 0.95 -3.43 1.43 -1.26 -4.58 118.68 111.80 2j18 s LEU 256 Ca 0.00 2.15 -0.12 0.00 -1.03 0.00 0.00 54.13 55.13 2j18 s LEU 256 Cb 0.00 -4.16 0.16 0.00 0.03 0.00 0.00 46.19 42.22 2j18 s LEU 256 CO 0.00 -0.60 1.09 -2.16 0.23 0.00 0.00 176.35 174.91 2j18 s PRO 257 N -2.48 0.83 0.13 1.29 0.04 -1.26 -4.94 135.00 128.61 2j18 s PRO 257 Ca 0.59 0.69 -0.31 0.00 0.04 0.00 0.00 61.00 62.00 2j18 s PRO 257 Cb -0.25 -1.77 -0.11 0.00 0.04 0.00 0.00 34.50 32.41 2j18 s PRO 257 CO 0.31 -2.50 1.83 0.45 0.04 0.00 0.00 177.00 177.13 2j18 s SER 258 N -3.41 6.41 -0.02 6.66 0.15 -1.26 -2.58 113.70 119.65 2j18 s SER 258 Ca 0.64 2.78 0.00 0.00 0.70 0.00 0.00 55.95 60.07 2j18 s SER 258 Cb -0.18 -2.57 0.00 0.00 -1.71 0.00 0.00 66.02 61.56 2j18 s SER 258 CO 0.57 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.62 2j18 n GLY 259 N 4.23 0.46 0.26 9.45 0.00 -1.26 -4.93 105.19 113.40 2j18 n GLY 259 Ca 0.18 -0.10 0.04 0.00 0.00 0.00 0.00 46.02 46.13 2j18 n GLY 259 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2j18 h ALA 260 N 0.00 0.84 -2.36 4.61 0.00 -1.87 -3.38 119.26 117.09 2j18 h ALA 260 Ca -0.00 0.17 -0.59 0.00 0.00 0.00 0.00 54.91 54.49 2j18 h ALA 260 Cb 0.09 0.25 -0.08 0.00 0.00 0.00 0.00 17.79 18.05 2j18 h ALA 260 CO 0.01 -0.35 0.39 0.42 0.00 0.00 0.00 179.25 179.72 2j18 s ILE 261 N -6.08 4.88 0.00 0.00 1.01 -1.26 -4.90 121.20 114.85 2j18 s ILE 261 Ca -0.13 1.56 0.00 0.00 0.00 0.00 0.00 60.65 62.08 2j18 s ILE 261 Cb 0.20 -4.11 0.00 0.00 0.01 0.00 0.00 42.46 38.56 2j18 s ILE 261 CO 0.75 -0.00 0.00 0.61 0.00 0.00 0.00 174.94 176.30 2j18 n GLY 262 N 3.61 1.85 3.54 6.18 0.00 -1.26 -5.11 105.19 113.99 2j18 n GLY 262 Ca 0.04 -1.99 -0.35 0.00 0.00 0.00 0.00 46.02 43.72 2j18 n GLY 262 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2j18 n PRO 263 N -1.66 0.29 -4.29 1.61 -0.02 -1.26 -4.81 135.00 124.87 2j18 n PRO 263 Ca 0.00 0.15 -0.26 0.00 -2.02 0.00 0.00 63.50 61.38 2j18 n PRO 263 Cb 0.00 -2.05 -0.09 0.00 -0.02 0.00 0.00 33.50 31.35 2j18 n PRO 263 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 2j18 s GLY 264 N -1.67 1.72 0.73 -1.23 0.00 -1.26 -5.06 107.32 100.54 2j18 s GLY 264 Ca 0.68 -1.53 -0.14 0.00 0.00 0.00 0.00 44.72 43.73 2j18 s GLY 264 CO 0.55 -1.57 1.17 0.00 0.00 0.00 0.00 173.10 173.26 2j18 s ALA 265 N -1.91 2.16 0.26 3.20 0.00 -1.26 -4.97 121.76 119.24 2j18 s ALA 265 Ca 0.27 0.75 -0.30 0.00 0.00 0.00 0.00 51.96 52.68 2j18 s ALA 265 Cb -0.08 -3.42 -0.10 0.00 0.00 0.00 0.00 23.12 19.52 2j18 s ALA 265 CO 0.17 -1.79 1.46 -2.00 0.00 0.00 0.00 175.76 173.60 2j18 s GLU 266 N -4.06 4.24 0.30 0.00 2.12 -1.26 -4.43 118.70 115.62 2j18 s GLU 266 Ca 0.71 2.35 -0.29 0.00 0.36 0.00 0.00 54.97 58.10 2j18 s GLU 266 Cb -0.26 -3.09 -0.10 0.00 0.26 0.00 0.00 34.13 30.94 2j18 s GLU 266 CO 0.46 -0.44 1.40 0.00 -0.54 0.00 0.00 175.26 176.14 2j18 s ALA 267 N -0.10 3.57 0.25 6.30 0.00 -1.26 -4.99 121.76 125.52 2j18 s ALA 267 Ca 0.59 1.35 0.02 0.00 0.00 0.00 0.00 51.96 53.92 2j18 s ALA 267 Cb -0.43 -3.54 -0.05 0.00 0.00 0.00 0.00 23.12 19.10 2j18 s ALA 267 CO 0.45 -0.77 0.06 0.14 0.00 0.00 0.00 175.76 175.65 2j18 s VAL 268 N -0.64 0.69 0.30 0.00 -7.23 -1.26 -5.10 120.40 107.17 2j18 s VAL 268 Ca 0.54 -2.00 -0.30 0.00 -1.81 0.00 0.00 61.98 58.42 2j18 s VAL 268 Cb -0.42 -2.52 -0.12 0.00 0.56 0.00 0.00 36.38 33.87 2j18 s VAL 268 CO 0.51 -0.12 1.47 -2.65 -0.31 0.00 0.00 175.10 173.99 2j18 n PRO 269 N -0.44 2.40 -1.99 4.82 -0.02 -1.26 -4.99 135.00 133.52 2j18 n PRO 269 Ca -0.02 0.85 -0.32 0.00 -2.02 0.00 0.00 63.50 61.99 2j18 n PRO 269 Cb 0.65 -2.55 0.01 0.00 -0.02 0.00 0.00 33.50 31.60 2j18 n PRO 269 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2j18 s LEU 270 N -0.65 3.43 -0.09 2.45 1.43 -1.26 -5.08 118.68 118.90 2j18 s LEU 270 Ca 0.62 1.72 -0.09 0.00 -1.03 0.00 0.00 54.13 55.35 2j18 s LEU 270 Cb -0.55 -4.52 0.02 0.00 0.03 0.00 0.00 46.19 41.18 2j18 s LEU 270 CO 0.54 -1.13 0.26 -0.55 0.23 0.00 0.00 176.35 175.70 2j18 s SER 271 N -3.09 -0.26 -0.04 2.29 0.15 -1.26 -4.99 113.70 106.50 2j18 s SER 271 Ca 0.61 0.50 0.03 0.00 0.70 0.00 0.00 55.95 57.79 2j18 s SER 271 Cb -0.15 0.52 0.01 0.00 -1.71 0.00 0.00 66.02 64.69 2j18 s SER 271 CO 0.40 -0.10 -0.11 -0.36 1.20 0.00 0.00 173.24 174.27 2j18 s PHE 272 N 0.09 1.21 0.36 3.44 0.08 -1.26 -5.13 117.98 116.77 2j18 s PHE 272 Ca -0.00 -0.36 -0.28 0.00 0.12 0.00 0.00 56.93 56.40 2j18 s PHE 272 Cb -0.02 -0.88 -0.11 0.00 -0.57 0.00 0.00 43.02 41.44 2j18 s PHE 272 CO 0.00 -0.17 1.47 0.00 -0.10 0.00 0.00 175.22 176.42 2j18 n ALA 273 N 3.50 2.21 0.26 5.36 0.00 -1.26 -4.91 120.51 125.67 2j18 n ALA 273 Ca -0.20 0.35 0.10 0.00 0.00 0.00 0.00 53.44 53.68 2j18 n ALA 273 Cb 0.53 -2.40 0.68 0.00 0.00 0.00 0.00 19.45 18.26 2j18 n ALA 273 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2j18 h SER 274 N 3.11 0.00 0.97 0.00 0.02 -2.02 -1.69 113.55 113.94 2j18 h SER 274 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 2j18 h SER 274 Cb 1.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.79 2j18 h SER 274 CO 0.66 0.09 0.00 0.35 -1.14 0.00 0.00 176.83 176.79 2j18 n THR 275 N -4.11 0.75 -2.96 -2.27 -2.24 -1.26 -4.75 114.28 97.45 2j18 n THR 275 Ca -0.03 0.07 -0.41 0.00 -2.27 0.00 0.00 64.05 61.41 2j18 n THR 275 Cb 0.17 -0.98 -0.05 0.00 -2.10 0.00 0.00 70.33 67.37 2j18 n THR 275 CO 0.00 0.00 0.00 -0.32 -0.57 0.00 0.00 175.07 174.18 2j18 s MET 276 N -3.26 4.13 0.16 -0.78 0.00 -0.64 -5.04 119.30 113.88 2j18 s MET 276 Ca 0.06 0.79 -0.27 0.00 0.00 0.00 0.00 55.69 56.27 2j18 s MET 276 Cb 0.10 -3.66 -0.08 0.00 0.00 0.00 0.00 34.83 31.20 2j18 s MET 276 CO 0.46 -0.51 0.82 0.95 0.00 0.00 0.00 175.02 176.73 2j18 s THR 277 N 2.77 4.36 0.59 10.11 -4.23 -1.26 -4.91 115.64 123.06 2j18 s THR 277 Ca 0.32 1.80 -0.18 0.00 -1.18 0.00 0.00 61.69 62.45 2j18 s THR 277 Cb -0.15 -4.19 -0.04 0.00 1.34 0.00 0.00 72.50 69.47 2j18 s THR 277 CO 0.08 0.49 1.13 -2.16 -0.54 0.00 0.00 174.62 173.62 2j18 s PRO 278 N -0.94 3.12 0.47 3.99 0.04 -1.26 -5.00 135.00 135.42 2j18 s PRO 278 Ca 0.38 1.58 -0.23 0.00 0.04 0.00 0.00 61.00 62.76 2j18 s PRO 278 Cb -0.23 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.26 2j18 s PRO 278 CO 0.27 -1.03 1.23 -0.06 0.04 0.00 0.00 177.00 177.45 2j18 s PHE 279 N -1.92 2.73 0.32 0.56 0.08 -1.26 -4.97 117.98 113.51 2j18 s PHE 279 Ca 0.72 1.48 -0.29 0.00 0.12 0.00 0.00 56.93 58.95 2j18 s PHE 279 Cb -0.24 -3.53 -0.11 0.00 -0.57 0.00 0.00 43.02 38.57 2j18 s PHE 279 CO 0.32 -1.93 1.58 -0.51 -0.10 0.00 0.00 175.22 174.58 2j18 s LEU 280 N -3.05 4.33 0.23 -0.37 1.43 -1.26 -4.85 118.68 115.14 2j18 s LEU 280 Ca 0.64 3.01 -0.30 0.00 -1.03 0.00 0.00 54.13 56.45 2j18 s LEU 280 Cb -0.33 -3.65 -0.09 0.00 0.03 0.00 0.00 46.19 42.16 2j18 s LEU 280 CO 0.40 -0.93 0.97 -0.76 0.23 0.00 0.00 176.35 176.26 2j18 s LEU 281 N -0.96 4.62 0.30 1.79 1.43 -1.26 -4.94 118.68 119.66 2j18 s LEU 281 Ca 0.61 1.98 -0.30 0.00 -1.03 0.00 0.00 54.13 55.39 2j18 s LEU 281 Cb -0.48 -3.61 -0.12 0.00 0.03 0.00 0.00 46.19 42.01 2j18 s LEU 281 CO 0.53 0.09 1.43 0.00 0.23 0.00 0.00 176.35 178.63 2j18 n ALA 282 N 1.58 1.66 0.22 4.21 0.00 -1.26 -4.92 120.51 122.00 2j18 n ALA 282 Ca -0.01 0.38 0.12 0.00 0.00 0.00 0.00 53.44 53.92 2j18 n ALA 282 Cb 0.47 -2.33 0.22 0.00 0.00 0.00 0.00 19.45 17.81 2j18 n ALA 282 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 2j18 n THR 283 N 1.35 0.56 -1.66 0.00 -2.24 -1.26 -5.02 114.28 106.01 2j18 n THR 283 Ca 0.08 -0.78 -0.41 0.00 -2.27 0.00 0.00 64.05 60.67 2j18 n THR 283 Cb 0.35 0.93 0.02 0.00 -2.10 0.00 0.00 70.33 69.52 2j18 n THR 283 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 2j18 n ASN 284 N 1.47 1.90 -4.67 3.42 3.02 -1.26 -4.95 115.26 114.19 2j18 n ASN 284 Ca 0.19 1.05 -0.36 0.00 -0.03 0.00 0.00 54.58 55.44 2j18 n ASN 284 Cb 0.60 -1.43 0.09 0.00 -0.61 0.00 0.00 39.78 38.42 2j18 n ASN 284 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2j18 n ALA 285 N -0.45 0.29 -1.81 5.41 0.00 -1.26 -4.90 120.51 117.78 2j18 n ALA 285 Ca 0.08 -0.14 -0.41 0.00 0.00 0.00 0.00 53.44 52.97 2j18 n ALA 285 Cb 0.40 -2.21 -0.02 0.00 0.00 0.00 0.00 19.45 17.62 2j18 n ALA 285 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.50 176.25 2j18 s PRO 286 N -3.45 4.19 0.42 0.00 0.04 -1.26 -4.97 135.00 129.96 2j18 s PRO 286 Ca 0.77 2.46 -0.25 0.00 0.04 0.00 0.00 61.00 64.01 2j18 s PRO 286 Cb -0.35 -3.06 -0.08 0.00 0.04 0.00 0.00 34.50 31.04 2j18 s PRO 286 CO 0.47 -0.54 1.29 -0.47 0.04 0.00 0.00 177.00 177.79 2j18 s TYR 287 N 0.01 2.80 0.02 0.56 6.14 -1.26 -4.94 117.35 120.67 2j18 s TYR 287 Ca 0.62 1.42 -0.10 0.00 0.64 0.00 0.00 57.07 59.65 2j18 s TYR 287 Cb -0.45 -3.64 0.01 0.00 0.42 0.00 0.00 41.96 38.29 2j18 s TYR 287 CO 0.46 -2.07 0.20 1.52 0.64 0.00 0.00 175.55 176.30 2j18 s TYR 288 N -1.29 0.00 0.18 4.97 1.13 -1.26 -4.81 117.35 116.27 2j18 s TYR 288 Ca 0.58 -0.12 -0.31 0.00 -1.41 0.00 0.00 57.07 55.81 2j18 s TYR 288 Cb -0.37 -0.01 -0.10 0.00 -1.10 0.00 0.00 41.96 40.38 2j18 s TYR 288 CO 0.47 -0.37 1.50 0.00 -2.51 0.00 0.00 175.55 174.63 2j18 s ALA 289 N -1.92 3.70 0.00 9.51 0.00 -1.26 -4.91 121.76 126.88 2j18 s ALA 289 Ca -0.10 1.31 0.00 0.00 0.00 0.00 0.00 51.96 53.17 2j18 s ALA 289 Cb -0.04 -3.59 0.00 0.00 0.00 0.00 0.00 23.12 19.49 2j18 s ALA 289 CO -0.00 -0.74 0.41 1.04 0.00 0.00 0.00 175.76 176.47 2j18 n GLN 290 N 3.51 0.30 -3.24 0.00 6.02 -1.26 -3.97 117.38 118.75 2j18 n GLN 290 Ca 0.11 -0.49 -0.24 0.00 -0.01 0.00 0.00 57.00 56.37 2j18 n GLN 290 Cb 0.40 -0.67 -0.07 0.00 1.02 0.00 0.00 30.24 30.92 2j18 n GLN 290 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 2j18 n ASP 291 N -0.08 1.13 -4.93 1.08 2.03 -1.26 -3.44 116.55 111.08 2j18 n ASP 291 Ca 0.00 -2.91 -0.25 0.00 0.52 0.00 0.00 54.79 52.15 2j18 n ASP 291 Cb 0.28 -0.64 0.03 0.00 -0.72 0.00 0.00 41.12 40.07 2j18 n ASP 291 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 2j18 s PRO 292 N -1.61 2.85 0.72 -0.67 0.04 -1.26 -5.16 135.00 129.91 2j18 s PRO 292 Ca 0.37 -0.24 -0.15 0.00 0.04 0.00 0.00 61.00 61.02 2j18 s PRO 292 Cb 0.18 -2.36 0.03 0.00 0.04 0.00 0.00 34.50 32.39 2j18 s PRO 292 CO -0.09 -0.64 1.18 0.95 0.04 0.00 0.00 177.00 178.45 2j18 s THR 293 N -2.87 2.55 -0.05 1.26 -4.23 -1.22 -4.82 115.64 106.25 2j18 s THR 293 Ca 0.53 0.26 -0.04 0.00 -1.18 0.00 0.00 61.69 61.26 2j18 s THR 293 Cb -0.10 -2.80 -0.04 0.00 1.34 0.00 0.00 72.50 70.90 2j18 s THR 293 CO 0.42 -0.15 0.17 -0.76 -0.54 0.00 0.00 174.62 173.76 2j18 s LEU 294 N -5.13 4.37 0.84 4.79 1.43 -1.26 -4.96 118.68 118.75 2j18 s LEU 294 Ca 0.72 0.39 -0.10 0.00 -1.03 0.00 0.00 54.13 54.11 2j18 s LEU 294 Cb -0.27 -2.40 0.14 0.00 0.03 0.00 0.00 46.19 43.70 2j18 s LEU 294 CO 0.45 0.32 1.17 -0.83 0.23 0.00 0.00 176.35 177.68 2j18 s GLY 295 N -1.58 1.74 0.51 -3.19 0.00 -1.26 -4.92 107.32 98.63 2j18 s GLY 295 Ca 0.22 -1.21 0.24 0.00 0.00 0.00 0.00 44.72 43.97 2j18 s GLY 295 CO 0.13 -0.60 2.09 -0.56 0.00 0.00 0.00 173.10 174.17 2j18 h PRO 296 N -1.10 0.00 -0.57 2.90 0.13 -1.97 -2.46 132.00 128.92 2j18 h PRO 296 Ca -0.43 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.70 2j18 h PRO 296 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 2j18 h PRO 296 CO 0.46 0.11 0.00 0.09 -0.23 0.00 0.00 178.00 178.43 2j18 n ASN 297 N -3.92 3.08 -0.86 1.44 5.03 -1.26 -0.93 115.26 117.83 2j18 n ASN 297 Ca -0.02 -2.00 0.11 0.00 0.87 0.00 0.00 54.58 53.54 2j18 n ASN 297 Cb 0.20 -0.38 0.09 0.00 -1.02 0.00 0.00 39.78 38.67 2j18 n ASN 297 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90