#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rj5 s THR 6 N 0.00 1.54 -0.04 -1.67 -4.23 -0.08 -4.99 115.64 106.17 1rj5 s THR 6 Ca 0.00 -1.80 -0.14 0.00 -1.18 0.00 0.00 61.69 58.57 1rj5 s THR 6 Cb 0.00 -2.34 -0.31 0.00 1.34 0.00 0.00 72.50 71.19 1rj5 s THR 6 CO 0.00 0.00 0.74 1.88 -0.54 0.00 0.00 174.62 176.70 1rj5 h TYR 7 N 1.21 0.71 -3.63 3.99 -1.99 -1.88 -3.04 116.97 112.34 1rj5 h TYR 7 Ca -0.42 -0.52 -0.53 0.00 2.00 0.00 0.00 58.73 59.27 1rj5 h TYR 7 Cb 1.30 -0.03 -0.20 0.00 2.00 0.00 0.00 36.73 39.80 1rj5 h TYR 7 CO 1.17 1.60 -0.80 -1.21 -0.00 0.00 0.00 178.16 178.92 1rj5 s GLU 8 N -2.55 1.17 0.00 4.88 0.41 -1.26 -0.29 118.70 121.07 1rj5 s GLU 8 Ca -0.15 -1.27 0.00 0.00 -0.41 0.00 0.00 54.97 53.14 1rj5 s GLU 8 Cb 0.04 -1.31 0.00 0.00 -1.78 0.00 0.00 34.13 31.08 1rj5 s GLU 8 CO 0.86 0.28 0.00 0.41 -0.49 0.00 0.00 175.26 176.32 1rj5 n GLY 9 N 0.70 -0.09 0.28 -1.39 0.00 -1.26 -4.29 105.19 99.15 1rj5 n GLY 9 Ca -0.16 -2.23 0.09 0.00 0.00 0.00 0.00 46.02 43.71 1rj5 n GLY 9 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1rj5 h PRO 10 N 1.76 0.11 -0.07 1.61 0.11 -1.98 -2.14 132.00 131.40 1rj5 h PRO 10 Ca 0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 1rj5 h PRO 10 Cb 0.00 -0.02 -0.02 0.00 0.11 0.00 0.00 31.00 31.07 1rj5 h PRO 10 CO 0.00 0.07 -0.25 0.72 -0.21 0.00 0.00 178.00 178.33 1rj5 n HIS 11 N -4.51 0.23 -1.05 0.65 8.25 -1.26 -4.86 115.22 112.66 1rj5 n HIS 11 Ca -0.00 -1.32 -0.30 0.00 -0.26 0.00 0.00 57.72 55.84 1rj5 n HIS 11 Cb 0.14 -0.26 0.24 0.00 1.12 0.00 0.00 29.99 31.24 1rj5 n HIS 11 CO 0.00 0.00 0.00 0.20 0.64 0.00 0.00 176.34 177.18 1rj5 s GLY 12 N -2.93 1.58 0.60 -1.41 0.00 -0.81 -0.91 107.32 103.45 1rj5 s GLY 12 Ca 0.37 -0.97 0.28 0.00 0.00 0.00 0.00 44.72 44.41 1rj5 s GLY 12 CO -0.02 -0.07 1.86 0.06 0.00 0.00 0.00 173.10 174.94 1rj5 h GLN 13 N -2.64 0.00 -0.52 2.90 3.07 -0.52 -1.63 115.11 115.76 1rj5 h GLN 13 Ca -0.44 0.00 0.01 0.00 0.09 0.00 0.00 58.65 58.31 1rj5 h GLN 13 Cb 1.29 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.82 1rj5 h GLN 13 CO 0.33 0.00 0.33 -0.44 0.09 0.00 0.00 178.83 179.14 1rj5 h ASP 14 N 0.00 0.56 0.52 0.06 3.32 -1.90 -3.11 116.42 115.86 1rj5 h ASP 14 Ca 0.19 -0.01 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rj5 h ASP 14 Cb 1.18 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.60 1rj5 h ASP 14 CO -0.00 0.40 -0.43 1.41 -1.72 0.00 0.00 179.24 178.89 1rj5 n HIS 15 N -4.75 0.00 -0.32 4.55 8.25 -0.62 -4.40 115.22 117.92 1rj5 n HIS 15 Ca 0.03 0.00 0.29 0.00 -0.26 0.00 0.00 57.72 57.78 1rj5 n HIS 15 Cb 0.04 -0.26 0.53 0.00 1.12 0.00 0.00 29.99 31.43 1rj5 n HIS 15 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1rj5 n TRP 16 N -1.43 1.06 -0.04 4.41 8.01 -1.16 0.93 117.44 129.21 1rj5 n TRP 16 Ca 0.06 1.18 0.16 0.00 -1.31 0.00 0.00 57.50 57.60 1rj5 n TRP 16 Cb 0.34 -1.51 0.60 0.00 -2.01 0.00 0.00 31.31 28.72 1rj5 n TRP 16 CO 0.00 0.00 0.00 -1.35 -1.01 0.00 0.00 177.69 175.33 1rj5 h PRO 17 N 0.00 0.19 0.33 -0.99 0.11 -1.77 0.88 132.00 130.76 1rj5 h PRO 17 Ca 0.80 -0.01 -0.02 0.00 0.11 0.00 0.00 66.00 66.88 1rj5 h PRO 17 Cb 2.05 -0.04 0.00 0.00 0.11 0.00 0.00 31.00 33.12 1rj5 h PRO 17 CO -0.80 0.13 -0.16 1.15 -0.21 0.00 0.00 178.00 178.10 1rj5 h THR 18 N 0.20 0.67 0.00 -1.15 2.02 0.22 -3.10 112.91 111.77 1rj5 h THR 18 Ca 0.27 -0.01 0.00 0.00 0.77 0.00 0.00 66.41 67.44 1rj5 h THR 18 Cb 0.80 0.68 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 1rj5 h THR 18 CO -0.05 0.00 -1.05 -1.54 0.37 0.00 0.00 175.52 173.25 1rj5 n SER 19 N -5.28 0.64 -3.58 4.18 3.41 -0.95 -4.65 113.62 107.38 1rj5 n SER 19 Ca -0.10 0.03 -0.29 0.00 -0.26 0.00 0.00 58.87 58.25 1rj5 n SER 19 Cb 0.20 0.71 -0.13 0.00 -0.26 0.00 0.00 64.21 64.73 1rj5 n SER 19 CO 0.00 0.00 0.00 -0.31 -0.16 0.00 0.00 175.04 174.57 1rj5 s TYR 20 N -3.28 1.24 0.27 7.33 1.51 0.30 -5.02 117.35 119.71 1rj5 s TYR 20 Ca 0.02 -1.89 0.00 0.00 -1.01 0.00 0.00 57.07 54.19 1rj5 s TYR 20 Cb 0.13 -1.33 0.61 0.00 -0.11 0.00 0.00 41.96 41.25 1rj5 s TYR 20 CO 0.80 -0.82 1.71 -1.35 -1.11 0.00 0.00 175.55 174.78 1rj5 h PRO 21 N 7.06 0.42 -0.30 -1.71 0.11 -1.74 -0.45 132.00 135.38 1rj5 h PRO 21 Ca 0.01 -0.03 0.09 0.00 0.11 0.00 0.00 66.00 66.18 1rj5 h PRO 21 Cb 0.96 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 31.96 1rj5 h PRO 21 CO 0.37 0.28 0.30 0.93 -0.21 0.00 0.00 178.00 179.67 1rj5 h GLU 22 N 0.43 0.00 0.00 1.05 4.39 -1.88 -1.29 114.58 117.28 1rj5 h GLU 22 Ca 0.50 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.20 1rj5 h GLU 22 Cb 0.86 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.51 1rj5 h GLU 22 CO -0.48 0.00 0.00 0.00 -1.16 0.00 0.00 179.01 177.37 1rj5 n GLY 24 N -0.64 3.49 3.42 0.00 0.00 -0.49 -4.78 105.19 106.20 1rj5 n GLY 24 Ca -0.01 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 1rj5 n GLY 24 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rj5 s GLY 25 N -1.23 1.49 0.23 -0.02 0.00 -0.25 -4.96 107.32 102.57 1rj5 s GLY 25 Ca 0.51 -0.50 0.24 0.00 0.00 0.00 0.00 44.72 44.96 1rj5 s GLY 25 CO 0.13 0.35 1.36 1.29 0.00 0.00 0.00 173.10 176.23 1rj5 h ASP 26 N -2.95 0.00 -2.05 1.64 2.03 -1.95 -3.38 116.42 109.77 1rj5 h ASP 26 Ca -0.53 -0.07 -0.56 0.00 -0.73 0.00 0.00 57.03 55.14 1rj5 h ASP 26 Cb 1.34 0.00 -0.42 0.00 -0.83 0.00 0.00 39.33 39.42 1rj5 h ASP 26 CO 0.41 0.04 -0.78 0.00 -1.03 0.00 0.00 179.24 177.88 1rj5 n ALA 27 N -1.99 4.24 -2.24 4.15 0.00 -1.26 -4.60 120.51 118.80 1rj5 n ALA 27 Ca 0.03 -4.35 -0.27 0.00 0.00 0.00 0.00 53.44 48.84 1rj5 n ALA 27 Cb 0.49 -0.74 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1rj5 n ALA 27 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1rj5 s GLN 28 N -3.30 3.46 0.23 0.00 -1.52 -1.26 -3.41 119.66 113.86 1rj5 s GLN 28 Ca 0.46 0.17 0.07 0.00 -1.95 0.00 0.00 55.36 54.11 1rj5 s GLN 28 Cb 0.32 -2.36 -0.05 0.00 -0.22 0.00 0.00 33.01 30.70 1rj5 s GLN 28 CO -0.13 -0.27 -0.11 -1.12 -0.25 0.00 0.00 175.29 173.41 1rj5 s SER 29 N -4.13 2.55 0.99 5.90 0.01 -1.26 -4.66 113.70 113.10 1rj5 s SER 29 Ca 0.48 -1.08 -0.17 0.00 1.31 0.00 0.00 55.95 56.50 1rj5 s SER 29 Cb -0.10 -0.13 0.22 0.00 0.21 0.00 0.00 66.02 66.21 1rj5 s SER 29 CO 0.45 -0.25 1.33 -2.16 0.41 0.00 0.00 173.24 173.03 1rj5 s PRO 30 N -3.69 0.40 0.07 12.44 0.04 -1.26 -4.61 135.00 138.40 1rj5 s PRO 30 Ca 0.25 -0.47 0.01 0.00 0.04 0.00 0.00 61.00 60.83 1rj5 s PRO 30 Cb 0.01 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.69 1rj5 s PRO 30 CO 0.08 -2.57 -0.05 0.96 0.04 0.00 0.00 177.00 175.46 1rj5 s ILE 31 N -3.90 0.50 -0.45 0.56 -4.36 -1.26 0.10 121.20 112.38 1rj5 s ILE 31 Ca 0.75 -1.78 -0.21 0.00 -0.26 0.00 0.00 60.65 59.15 1rj5 s ILE 31 Cb -0.03 -1.48 0.03 0.00 1.25 0.00 0.00 42.46 42.23 1rj5 s ILE 31 CO 0.54 -0.86 0.68 0.21 0.24 0.00 0.00 174.94 175.75 1rj5 s ASN 32 N -2.82 6.33 -0.34 4.36 2.47 -1.26 -3.13 114.94 120.55 1rj5 s ASN 32 Ca 0.07 -0.36 -0.29 0.00 0.42 0.00 0.00 52.86 52.70 1rj5 s ASN 32 Cb 0.04 -2.34 0.02 0.00 -1.45 0.00 0.00 41.25 37.53 1rj5 s ASN 32 CO -0.06 -0.84 1.10 -0.63 -3.72 0.00 0.00 177.10 172.95 1rj5 s ILE 33 N 2.95 4.44 -0.51 -5.21 1.01 -0.56 -4.86 121.20 118.46 1rj5 s ILE 33 Ca 0.24 1.64 -0.18 0.00 0.00 0.00 0.00 60.65 62.35 1rj5 s ILE 33 Cb -0.14 -4.42 0.07 0.00 0.01 0.00 0.00 42.46 37.98 1rj5 s ILE 33 CO 0.19 -0.55 0.54 -1.58 0.00 0.00 0.00 174.94 173.54 1rj5 s GLN 34 N 3.79 3.05 0.63 2.79 2.00 -1.26 -0.03 119.66 130.63 1rj5 s GLN 34 Ca 0.47 -1.18 0.26 0.00 -2.00 0.00 0.00 55.36 52.91 1rj5 s GLN 34 Cb -0.12 -4.15 1.36 0.00 0.80 0.00 0.00 33.01 30.90 1rj5 s GLN 34 CO 0.18 -1.20 1.77 1.79 -0.50 0.00 0.00 175.29 177.33 1rj5 h THR 35 N 5.83 0.16 -0.10 -0.34 1.35 -1.95 -0.00 112.91 117.86 1rj5 h THR 35 Ca -0.28 0.00 -0.17 0.00 -0.55 0.00 0.00 66.41 65.41 1rj5 h THR 35 Cb 1.10 0.53 -0.01 0.00 -1.73 0.00 0.00 68.15 68.04 1rj5 h THR 35 CO 0.96 0.00 -0.66 -0.78 -0.25 0.00 0.00 175.52 174.78 1rj5 h ASP 36 N 0.00 0.46 0.74 5.36 1.82 -2.02 -3.12 116.42 119.66 1rj5 h ASP 36 Ca 0.14 -0.28 0.00 0.00 -0.39 0.00 0.00 57.03 56.50 1rj5 h ASP 36 Cb 1.21 -0.13 0.00 0.00 0.68 0.00 0.00 39.33 41.08 1rj5 h ASP 36 CO -0.00 0.99 -0.20 -1.20 -1.61 0.00 0.00 179.24 177.23 1rj5 n SER 37 N -3.87 0.23 -4.69 2.28 7.64 -0.03 -4.89 113.62 110.29 1rj5 n SER 37 Ca -0.04 0.10 -0.42 0.00 1.01 0.00 0.00 58.87 59.53 1rj5 n SER 37 Cb 0.66 -0.18 -0.03 0.00 -1.01 0.00 0.00 64.21 63.66 1rj5 n SER 37 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1rj5 s VAL 38 N -2.94 2.88 -0.41 0.44 1.01 -1.12 -4.73 120.40 115.54 1rj5 s VAL 38 Ca 0.15 0.36 -0.22 0.00 0.00 0.00 0.00 61.98 62.27 1rj5 s VAL 38 Cb 0.19 -3.23 0.02 0.00 0.00 0.00 0.00 36.38 33.35 1rj5 s VAL 38 CO 0.59 -0.00 0.71 -0.63 0.00 0.00 0.00 175.10 175.76 1rj5 s ILE 39 N 2.62 4.78 0.25 2.22 -1.09 -0.65 -4.90 121.20 124.43 1rj5 s ILE 39 Ca 0.76 0.47 -0.30 0.00 -2.23 0.00 0.00 60.65 59.34 1rj5 s ILE 39 Cb -0.42 -4.20 -0.11 0.00 -1.58 0.00 0.00 42.46 36.15 1rj5 s ILE 39 CO 0.33 -0.53 1.55 0.12 -1.23 0.00 0.00 174.94 175.19 1rj5 s PHE 40 N 2.98 2.89 -0.42 3.97 5.36 -1.26 -2.22 117.98 129.28 1rj5 s PHE 40 Ca 0.27 0.81 0.02 0.00 -0.96 0.00 0.00 56.93 57.06 1rj5 s PHE 40 Cb -0.13 -3.97 0.14 0.00 -0.34 0.00 0.00 43.02 38.71 1rj5 s PHE 40 CO 0.19 -3.32 0.23 0.34 -1.46 0.00 0.00 175.22 171.20 1rj5 s ASP 41 N 0.59 3.52 0.00 6.13 -1.08 -0.60 -4.87 116.67 120.35 1rj5 s ASP 41 Ca 0.64 -2.51 0.04 0.00 -0.52 0.00 0.00 52.55 50.20 1rj5 s ASP 41 Cb -0.45 -0.90 0.18 0.00 -1.46 0.00 0.00 42.92 40.29 1rj5 s ASP 41 CO 0.43 -0.28 1.14 -0.81 0.52 0.00 0.00 175.17 176.17 1rj5 n PRO 42 N 3.68 0.00 -0.02 4.34 -0.04 -1.26 -1.82 135.00 139.88 1rj5 n PRO 42 Ca 0.09 0.43 0.13 0.00 -0.04 0.00 0.00 63.50 64.11 1rj5 n PRO 42 Cb 0.35 -1.50 0.34 0.00 -0.04 0.00 0.00 33.50 32.64 1rj5 n PRO 42 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1rj5 n ASP 43 N -1.51 2.18 -4.69 3.54 8.00 -1.26 -4.90 116.55 117.92 1rj5 n ASP 43 Ca 0.01 -1.73 -0.42 0.00 0.71 0.00 0.00 54.79 53.36 1rj5 n ASP 43 Cb 0.05 -0.02 -0.03 0.00 -0.02 0.00 0.00 41.12 41.10 1rj5 n ASP 43 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1rj5 s LEU 44 N -1.94 4.30 0.59 0.64 1.43 -0.76 -5.01 118.68 117.94 1rj5 s LEU 44 Ca 0.34 1.97 -0.15 0.00 -1.03 0.00 0.00 54.13 55.26 1rj5 s LEU 44 Cb 0.20 -3.56 -0.04 0.00 0.03 0.00 0.00 46.19 42.83 1rj5 s LEU 44 CO 0.32 -0.65 1.05 -2.16 0.23 0.00 0.00 176.35 175.13 1rj5 s PRO 45 N 2.29 3.36 0.34 1.29 0.04 -1.26 -5.00 135.00 136.07 1rj5 s PRO 45 Ca 0.60 1.14 -0.28 0.00 0.04 0.00 0.00 61.00 62.50 1rj5 s PRO 45 Cb -0.28 -2.04 -0.10 0.00 0.04 0.00 0.00 34.50 32.12 1rj5 s PRO 45 CO 0.24 -0.77 1.24 0.00 0.04 0.00 0.00 177.00 177.75 1rj5 s ALA 46 N -2.55 3.40 -0.39 8.56 0.00 -1.26 -4.95 121.76 124.57 1rj5 s ALA 46 Ca 0.62 1.13 -0.29 0.00 0.00 0.00 0.00 51.96 53.42 1rj5 s ALA 46 Cb -0.15 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.56 1rj5 s ALA 46 CO 0.38 -0.53 1.24 0.08 0.00 0.00 0.00 175.76 176.93 1rj5 s VAL 47 N -1.20 4.16 -0.29 0.00 1.01 -1.26 -4.32 120.40 118.51 1rj5 s VAL 47 Ca 0.50 1.25 0.03 0.00 0.00 0.00 0.00 61.98 63.76 1rj5 s VAL 47 Cb -0.36 -4.37 0.08 0.00 0.00 0.00 0.00 36.38 31.73 1rj5 s VAL 47 CO 0.48 -0.73 -0.04 0.00 0.00 0.00 0.00 175.10 174.80 1rj5 s GLN 48 N 4.37 1.86 -0.40 2.72 -2.07 -0.84 -4.97 119.66 120.33 1rj5 s GLN 48 Ca 0.53 -1.50 -0.29 0.00 -1.82 0.00 0.00 55.36 52.28 1rj5 s GLN 48 Cb -0.12 -2.95 0.00 0.00 -1.09 0.00 0.00 33.01 28.85 1rj5 s GLN 48 CO 0.27 -0.72 1.48 -2.14 -1.32 0.00 0.00 175.29 172.86 1rj5 s PRO 49 N 1.07 3.52 -0.58 9.60 0.02 -1.26 -2.13 135.00 145.23 1rj5 s PRO 49 Ca -0.01 1.01 -0.28 0.00 0.02 0.00 0.00 61.00 61.74 1rj5 s PRO 49 Cb -0.19 -4.06 0.01 0.00 0.02 0.00 0.00 34.50 30.27 1rj5 s PRO 49 CO -0.07 -1.64 1.47 -1.01 -0.33 0.00 0.00 177.00 175.43 1rj5 s HIS 50 N 5.73 2.18 -1.20 6.54 3.76 -0.68 -3.99 115.29 127.64 1rj5 s HIS 50 Ca 0.64 0.45 -0.01 0.00 -0.15 0.00 0.00 55.06 55.99 1rj5 s HIS 50 Cb -0.15 -4.37 -0.01 0.00 1.11 0.00 0.00 32.58 29.16 1rj5 s HIS 50 CO 0.33 -2.07 0.93 0.41 -0.85 0.00 0.00 174.74 173.49 1rj5 n GLY 50 N 5.34 -0.47 0.40 -2.22 0.00 -1.26 -3.97 105.19 103.01 1rj5 n GLY 50 Ca 0.13 0.18 0.02 0.00 0.00 0.00 0.00 46.02 46.35 1rj5 n GLY 50 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1rj5 n TYR 51 N -4.04 0.26 0.74 1.61 4.02 -1.26 -2.53 117.16 115.96 1rj5 n TYR 51 Ca -0.26 -0.11 0.07 0.00 -0.01 0.00 0.00 57.90 57.59 1rj5 n TYR 51 Cb 0.66 -0.04 -0.08 0.00 -0.02 0.00 0.00 39.34 39.86 1rj5 n TYR 51 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1rj5 n ASP 52 N -0.01 0.88 -4.11 7.72 3.85 -1.26 -1.49 116.55 122.13 1rj5 n ASP 52 Ca 0.05 -0.94 -0.36 0.00 -0.71 0.00 0.00 54.79 52.83 1rj5 n ASP 52 Cb 0.20 0.92 -0.11 0.00 -1.35 0.00 0.00 41.12 40.78 1rj5 n ASP 52 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1rj5 s GLN 53 N -2.39 2.08 -0.29 0.11 -1.52 -1.05 -4.42 119.66 112.19 1rj5 s GLN 53 Ca 0.07 -1.95 0.11 0.00 -1.95 0.00 0.00 55.36 51.64 1rj5 s GLN 53 Cb 0.12 -3.60 0.69 0.00 -0.22 0.00 0.00 33.01 30.00 1rj5 s GLN 53 CO 0.61 -1.09 1.70 1.28 -0.25 0.00 0.00 175.29 177.54 1rj5 n LEU 54 N 4.39 5.48 0.00 2.90 4.77 -1.26 -4.89 117.00 128.38 1rj5 n LEU 54 Ca -0.00 -3.23 0.00 0.00 -0.03 0.00 0.00 56.01 52.75 1rj5 n LEU 54 Cb 0.41 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.80 1rj5 n LEU 54 CO 0.33 0.82 0.00 0.61 -1.33 0.00 0.00 177.39 177.82 1rj5 n GLY 54 N -0.26 0.75 0.00 -0.72 0.00 -1.26 -4.59 105.19 99.11 1rj5 n GLY 54 Ca 0.36 -0.83 0.00 0.00 0.00 0.00 0.00 46.02 45.54 1rj5 n GLY 54 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1rj5 n THR 54 N 0.00 0.00 -2.39 2.61 -1.04 -1.26 -4.88 114.28 107.32 1rj5 n THR 54 Ca 0.00 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.65 1rj5 n THR 54 Cb 0.00 -0.74 -0.02 0.00 -1.82 0.00 0.00 70.33 67.75 1rj5 n THR 54 CO 0.00 0.00 0.00 -1.61 -0.64 0.00 0.00 175.07 172.82 1rj5 s GLU 55 N -1.91 3.72 0.64 -2.82 2.02 -1.26 -4.75 118.70 114.33 1rj5 s GLU 55 Ca 0.00 1.57 -0.17 0.00 0.02 0.00 0.00 54.97 56.38 1rj5 s GLU 55 Cb 0.00 -2.22 -0.05 0.00 0.10 0.00 0.00 34.13 31.95 1rj5 s GLU 55 CO 0.00 -0.53 0.68 -2.30 0.02 0.00 0.00 175.26 173.13 1rj5 n PRO 56 N -0.79 0.55 -4.41 0.39 -0.02 -1.26 -4.54 135.00 124.91 1rj5 n PRO 56 Ca 0.09 0.22 -0.34 0.00 -2.02 0.00 0.00 63.50 61.45 1rj5 n PRO 56 Cb 0.50 -1.91 -0.10 0.00 -0.02 0.00 0.00 33.50 31.98 1rj5 n PRO 56 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 1rj5 s LEU 57 N -0.64 3.48 0.43 2.45 1.43 -0.91 -4.86 118.68 120.05 1rj5 s LEU 57 Ca 0.70 0.09 -0.23 0.00 -1.03 0.00 0.00 54.13 53.66 1rj5 s LEU 57 Cb -0.40 -1.82 -0.09 0.00 0.03 0.00 0.00 46.19 43.91 1rj5 s LEU 57 CO 0.53 0.36 1.05 -0.62 0.23 0.00 0.00 176.35 177.90 1rj5 s ASP 58 N -0.97 6.60 -0.34 2.29 -1.08 -1.26 -1.60 116.67 120.30 1rj5 s ASP 58 Ca 0.14 2.03 0.02 0.00 -0.52 0.00 0.00 52.55 54.22 1rj5 s ASP 58 Cb -0.11 -2.58 0.15 0.00 -1.46 0.00 0.00 42.92 38.92 1rj5 s ASP 58 CO 0.03 -0.60 0.34 -0.22 0.52 0.00 0.00 175.17 175.24 1rj5 s LEU 59 N -2.90 -0.05 0.49 -1.34 2.96 0.31 -0.72 118.68 117.42 1rj5 s LEU 59 Ca 0.61 -1.36 0.06 0.00 -0.22 0.00 0.00 54.13 53.22 1rj5 s LEU 59 Cb -0.21 0.49 0.00 0.00 0.50 0.00 0.00 46.19 46.97 1rj5 s LEU 59 CO 0.26 -0.30 0.33 -1.38 -1.32 0.00 0.00 176.35 173.94 1rj5 s HIS 60 N 1.70 2.08 -0.14 5.38 -3.43 -0.89 -2.29 115.29 117.70 1rj5 s HIS 60 Ca 0.15 -0.72 -0.01 0.00 -0.80 0.00 0.00 55.06 53.68 1rj5 s HIS 60 Cb -0.15 -1.97 -0.02 0.00 -1.43 0.00 0.00 32.58 29.01 1rj5 s HIS 60 CO -0.12 -0.22 -0.11 1.21 -2.00 0.00 0.00 174.74 173.49 1rj5 s ASN 61 N -4.15 4.16 0.03 7.38 3.84 -0.48 -2.06 114.94 123.66 1rj5 s ASN 61 Ca 0.37 -0.30 0.22 0.00 0.21 0.00 0.00 52.86 53.36 1rj5 s ASN 61 Cb -0.01 -1.65 -0.24 0.00 -0.55 0.00 0.00 41.25 38.80 1rj5 s ASN 61 CO 0.22 0.15 0.62 0.59 -2.79 0.00 0.00 177.10 175.89 1rj5 n ASN 62 N 3.63 0.26 0.00 -4.21 5.03 -0.68 -0.35 115.26 118.94 1rj5 n ASN 62 Ca -0.18 0.10 0.00 0.00 0.87 0.00 0.00 54.58 55.37 1rj5 n ASN 62 Cb 0.52 1.45 0.00 0.00 -1.02 0.00 0.00 39.78 40.74 1rj5 n ASN 62 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rj5 n GLY 63 N 1.27 0.74 0.00 7.41 0.00 -1.26 -4.71 105.19 108.65 1rj5 n GLY 63 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.97 1rj5 n GLY 63 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1rj5 n HIS 64 N -2.00 0.00 -3.67 1.61 8.25 -1.26 -4.63 115.22 113.52 1rj5 n HIS 64 Ca 0.00 0.00 0.02 0.00 -0.26 0.00 0.00 57.72 57.48 1rj5 n HIS 64 Cb 0.00 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.11 1rj5 n HIS 64 CO 0.00 0.00 0.00 -0.08 0.64 0.00 0.00 176.34 176.90 1rj5 s THR 65 N -1.99 0.00 -0.22 1.59 -1.32 -1.26 -4.82 115.64 107.62 1rj5 s THR 65 Ca 0.00 -0.20 -0.10 0.00 -1.21 0.00 0.00 61.69 60.18 1rj5 s THR 65 Cb 0.00 -2.16 -0.05 0.00 -1.51 0.00 0.00 72.50 68.78 1rj5 s THR 65 CO 0.00 0.00 0.15 0.54 -2.21 0.00 0.00 174.62 173.10 1rj5 s VAL 66 N -2.32 5.38 -0.07 5.08 0.11 -1.26 -1.68 120.40 125.64 1rj5 s VAL 66 Ca 0.17 0.18 0.03 0.00 -2.93 0.00 0.00 61.98 59.43 1rj5 s VAL 66 Cb 0.04 -3.49 0.01 0.00 -1.53 0.00 0.00 36.38 31.41 1rj5 s VAL 66 CO -0.04 0.39 -0.15 -1.58 -3.33 0.00 0.00 175.10 170.39 1rj5 s GLN 67 N 0.75 2.04 0.00 1.54 0.74 -0.87 -3.12 119.66 120.73 1rj5 s GLN 67 Ca 0.08 -0.54 -0.02 0.00 0.05 0.00 0.00 55.36 54.93 1rj5 s GLN 67 Cb -0.12 -1.63 -0.04 0.00 1.10 0.00 0.00 33.01 32.31 1rj5 s GLN 67 CO 0.02 0.07 0.16 -1.17 -0.55 0.00 0.00 175.29 173.82 1rj5 s LEU 68 N 0.56 4.24 0.14 3.68 2.96 0.96 -2.10 118.68 129.12 1rj5 s LEU 68 Ca -0.15 0.28 -0.01 0.00 -0.22 0.00 0.00 54.13 54.03 1rj5 s LEU 68 Cb -0.16 -2.57 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 1rj5 s LEU 68 CO 0.05 0.25 0.32 -0.44 -1.32 0.00 0.00 176.35 175.21 1rj5 s SER 69 N -1.97 6.40 -0.00 3.68 0.01 0.10 -1.68 113.70 120.23 1rj5 s SER 69 Ca 0.27 0.38 0.04 0.00 1.31 0.00 0.00 55.95 57.95 1rj5 s SER 69 Cb -0.12 -2.00 -0.01 0.00 0.21 0.00 0.00 66.02 64.09 1rj5 s SER 69 CO 0.19 0.05 -0.13 -0.76 0.41 0.00 0.00 173.24 173.00 1rj5 s LEU 70 N -2.91 2.05 0.71 2.44 1.43 -0.75 -4.48 118.68 117.16 1rj5 s LEU 70 Ca 0.38 -0.27 -0.16 0.00 -1.03 0.00 0.00 54.13 53.05 1rj5 s LEU 70 Cb -0.12 -0.66 0.03 0.00 0.03 0.00 0.00 46.19 45.47 1rj5 s LEU 70 CO 0.28 0.14 1.20 -2.84 0.23 0.00 0.00 176.35 175.36 1rj5 s PRO 71 N -0.44 2.30 0.00 1.29 0.02 -1.26 -4.54 135.00 132.37 1rj5 s PRO 71 Ca 0.04 1.75 0.23 0.00 0.02 0.00 0.00 61.00 63.04 1rj5 s PRO 71 Cb -0.05 -1.85 1.37 0.00 0.02 0.00 0.00 34.50 33.98 1rj5 s PRO 71 CO -0.00 -1.71 1.76 -2.30 -0.33 0.00 0.00 177.00 174.42 1rj5 n PRO 72 N -2.54 0.79 0.10 5.54 -0.02 -1.26 -2.79 135.00 134.81 1rj5 n PRO 72 Ca 0.13 0.00 0.13 0.00 -2.02 0.00 0.00 63.50 61.74 1rj5 n PRO 72 Cb 0.50 -1.45 0.43 0.00 -0.02 0.00 0.00 33.50 32.96 1rj5 n PRO 72 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1rj5 n THR 76 N -0.95 0.55 -2.68 3.45 -2.24 -1.26 -4.71 114.28 106.44 1rj5 n THR 76 Ca 0.17 -0.23 -0.43 0.00 -2.27 0.00 0.00 64.05 61.29 1rj5 n THR 76 Cb 0.08 -0.61 -0.02 0.00 -2.10 0.00 0.00 70.33 67.68 1rj5 n THR 76 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1rj5 s LEU 77 N -4.38 3.94 -0.15 3.22 1.43 -1.12 -5.00 118.68 116.63 1rj5 s LEU 77 Ca 0.11 0.98 0.02 0.00 -1.03 0.00 0.00 54.13 54.20 1rj5 s LEU 77 Cb 0.13 -3.48 0.01 0.00 0.03 0.00 0.00 46.19 42.87 1rj5 s LEU 77 CO 0.58 -0.86 -0.21 -1.00 0.23 0.00 0.00 176.35 175.09 1rj5 s HIS 78 N 3.60 2.70 -0.26 0.29 3.76 -1.25 -1.32 115.29 122.80 1rj5 s HIS 78 Ca 0.44 -1.35 -0.17 0.00 -0.15 0.00 0.00 55.06 53.83 1rj5 s HIS 78 Cb -0.12 -1.84 -0.03 0.00 1.11 0.00 0.00 32.58 31.70 1rj5 s HIS 78 CO 0.16 -0.62 0.49 -1.17 -0.85 0.00 0.00 174.74 172.74 1rj5 s LEU 79 N 0.89 4.05 0.36 0.89 2.96 -0.21 -1.68 118.68 125.94 1rj5 s LEU 79 Ca -0.05 0.48 0.08 0.00 -0.22 0.00 0.00 54.13 54.42 1rj5 s LEU 79 Cb -0.15 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.88 1rj5 s LEU 79 CO -0.03 -0.26 0.23 -0.83 -1.32 0.00 0.00 176.35 174.13 1rj5 s GLY 80 N 1.54 1.97 0.00 7.98 0.00 -0.90 -3.24 107.32 114.66 1rj5 s GLY 80 Ca 0.20 -1.82 0.00 0.00 0.00 0.00 0.00 44.72 43.10 1rj5 s GLY 80 CO 0.09 -1.71 0.00 0.61 0.00 0.00 0.00 173.10 172.09 1rj5 n GLY 81 N -1.29 0.36 3.98 0.20 0.00 -1.26 -1.99 105.19 105.19 1rj5 n GLY 81 Ca -0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.81 1rj5 n GLY 81 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rj5 s LEU 84 N 0.00 3.39 0.44 0.99 1.43 -1.26 -4.57 118.68 119.09 1rj5 s LEU 84 Ca 0.00 -0.66 0.14 0.00 -1.03 0.00 0.00 54.13 52.57 1rj5 s LEU 84 Cb 0.00 -2.15 1.03 0.00 0.03 0.00 0.00 46.19 45.10 1rj5 s LEU 84 CO 0.00 -0.91 1.98 -0.65 0.23 0.00 0.00 176.35 177.00 1rj5 h PRO 85 N 0.62 0.39 -5.26 1.29 0.11 -1.99 -3.43 132.00 123.73 1rj5 h PRO 85 Ca -0.37 -0.02 -0.57 0.00 0.11 0.00 0.00 66.00 65.15 1rj5 h PRO 85 Cb 1.28 -0.09 -0.13 0.00 0.11 0.00 0.00 31.00 32.17 1rj5 h PRO 85 CO 0.48 0.26 -0.56 1.03 -0.21 0.00 0.00 178.00 178.99 1rj5 s ARG 86 N -5.38 1.89 -0.24 1.05 0.52 -1.26 -5.11 118.95 110.42 1rj5 s ARG 86 Ca -0.08 -2.12 -0.19 0.00 -0.52 0.00 0.00 55.73 52.83 1rj5 s ARG 86 Cb 0.19 -1.08 -0.03 0.00 0.52 0.00 0.00 34.95 34.55 1rj5 s ARG 86 CO 0.75 -0.27 0.55 0.15 0.02 0.00 0.00 175.30 176.49 1rj5 s LYS 87 N -3.81 4.12 0.11 3.54 1.02 -1.26 -4.84 119.74 118.62 1rj5 s LYS 87 Ca 0.27 0.42 0.05 0.00 0.02 0.00 0.00 55.97 56.72 1rj5 s LYS 87 Cb 0.06 -3.62 -0.04 0.00 -0.52 0.00 0.00 37.83 33.71 1rj5 s LYS 87 CO 0.13 -0.29 0.03 0.71 -0.92 0.00 0.00 175.35 175.01 1rj5 s TYR 88 N 2.11 3.03 -0.13 3.18 1.51 -1.20 -2.73 117.35 123.12 1rj5 s TYR 88 Ca 0.24 -0.02 0.02 0.00 -1.01 0.00 0.00 57.07 56.30 1rj5 s TYR 88 Cb -0.16 -1.53 0.01 0.00 -0.11 0.00 0.00 41.96 40.17 1rj5 s TYR 88 CO 0.09 0.50 -0.20 0.99 -1.11 0.00 0.00 175.55 175.81 1rj5 s THR 89 N -1.42 1.90 0.48 -0.71 2.01 -0.36 -1.05 115.64 116.49 1rj5 s THR 89 Ca 0.27 -0.89 -0.24 0.00 0.31 0.00 0.00 61.69 61.14 1rj5 s THR 89 Cb -0.11 -1.69 -0.07 0.00 0.01 0.00 0.00 72.50 70.64 1rj5 s THR 89 CO 0.20 0.52 1.40 0.00 -0.69 0.00 0.00 174.62 176.05 1rj5 s ALA 90 N 0.80 3.12 0.00 7.40 0.00 -0.44 -1.93 121.76 130.72 1rj5 s ALA 90 Ca -0.08 1.42 0.00 0.00 0.00 0.00 0.00 51.96 53.29 1rj5 s ALA 90 Cb -0.16 -3.58 0.00 0.00 0.00 0.00 0.00 23.12 19.39 1rj5 s ALA 90 CO -0.01 -1.23 0.00 0.00 0.00 0.00 0.00 175.76 174.52 1rj5 n ALA 91 N -0.43 2.63 -3.02 0.00 0.00 -0.74 -4.51 120.51 114.44 1rj5 n ALA 91 Ca 0.07 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.40 1rj5 n ALA 91 Cb 0.43 0.24 -0.05 0.00 0.00 0.00 0.00 19.45 20.06 1rj5 n ALA 91 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 1rj5 s GLN 92 N -1.80 1.59 -0.15 0.00 1.03 -1.16 -1.81 119.66 117.37 1rj5 s GLN 92 Ca 0.00 -1.40 -0.15 0.00 0.04 0.00 0.00 55.36 53.85 1rj5 s GLN 92 Cb 0.00 0.44 0.04 0.00 0.03 0.00 0.00 33.01 33.53 1rj5 s GLN 92 CO 0.00 -0.65 0.42 -1.17 -2.54 0.00 0.00 175.29 171.35 1rj5 s LEU 93 N -3.08 0.38 0.00 2.60 0.20 -0.68 -1.50 118.68 116.60 1rj5 s LEU 93 Ca 0.26 0.80 -0.09 0.00 0.69 0.00 0.00 54.13 55.79 1rj5 s LEU 93 Cb 0.00 1.48 0.04 0.00 -0.43 0.00 0.00 46.19 47.27 1rj5 s LEU 93 CO 0.12 -0.18 0.63 0.00 -0.29 0.00 0.00 176.35 176.63 1rj5 n HIS 94 N 2.69 -1.92 -4.39 5.38 1.44 -0.83 -0.03 115.22 117.57 1rj5 n HIS 94 Ca -0.14 -1.99 -0.19 0.00 -2.01 0.00 0.00 57.72 53.39 1rj5 n HIS 94 Cb 0.57 0.73 -0.10 0.00 0.12 0.00 0.00 29.99 31.31 1rj5 n HIS 94 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 1rj5 s LEU 95 N 0.00 2.25 -0.01 2.39 1.43 -1.18 -1.92 118.68 121.64 1rj5 s LEU 95 Ca 0.21 -1.26 0.01 0.00 -1.03 0.00 0.00 54.13 52.06 1rj5 s LEU 95 Cb -0.03 -0.39 0.00 0.00 0.03 0.00 0.00 46.19 45.81 1rj5 s LEU 95 CO 0.15 -0.50 -0.02 -1.00 0.23 0.00 0.00 176.35 175.21 1rj5 s HIS 96 N -3.29 0.25 0.16 0.29 3.76 -0.63 -4.61 115.29 111.23 1rj5 s HIS 96 Ca 0.31 -0.04 -0.13 0.00 -0.15 0.00 0.00 55.06 55.05 1rj5 s HIS 96 Cb 0.06 -0.20 0.01 0.00 1.11 0.00 0.00 32.58 33.56 1rj5 s HIS 96 CO 0.11 -0.03 0.39 1.67 -0.85 0.00 0.00 174.74 176.03 1rj5 s TRP 97 N 0.15 0.06 0.63 1.40 -2.14 -1.21 -1.65 118.94 116.17 1rj5 s TRP 97 Ca -0.01 -0.41 0.01 0.00 2.66 0.00 0.00 56.10 58.35 1rj5 s TRP 97 Cb -0.04 0.17 0.08 0.00 -3.10 0.00 0.00 33.47 30.59 1rj5 s TRP 97 CO -0.00 -0.77 0.87 0.20 -2.66 0.00 0.00 176.95 174.59 1rj5 s GLY 98 N -2.89 1.79 0.99 3.67 0.00 -1.25 -2.43 107.32 107.21 1rj5 s GLY 98 Ca 0.10 -1.58 -0.12 0.00 0.00 0.00 0.00 44.72 43.12 1rj5 s GLY 98 CO -0.05 -1.16 1.08 -0.86 0.00 0.00 0.00 173.10 172.12 1rj5 s GLN 99 N -4.92 0.46 0.20 2.90 -2.07 -1.26 -4.18 119.66 110.80 1rj5 s GLN 99 Ca 0.62 0.67 -0.32 0.00 -1.82 0.00 0.00 55.36 54.50 1rj5 s GLN 99 Cb -0.08 -1.73 -0.13 0.00 -1.09 0.00 0.00 33.01 29.98 1rj5 s GLN 99 CO 0.41 -2.74 1.60 0.54 -1.32 0.00 0.00 175.29 173.78 1rj5 n ARG 100 N -4.21 2.41 0.00 9.60 1.74 -1.26 -1.78 116.66 123.16 1rj5 n ARG 100 Ca 0.05 0.87 0.00 0.00 -0.77 0.00 0.00 57.85 58.00 1rj5 n ARG 100 Cb 0.56 -2.65 0.00 0.00 -1.02 0.00 0.00 32.46 29.36 1rj5 n ARG 100 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rj5 n GLY 101 N 3.25 3.04 3.92 -0.13 0.00 -1.26 -5.05 105.19 108.96 1rj5 n GLY 101 Ca 0.15 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.89 1rj5 n GLY 101 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rj5 s SER 102 N -1.20 6.40 -0.14 1.61 0.15 -0.73 -4.99 113.70 114.80 1rj5 s SER 102 Ca 0.00 0.60 0.18 0.00 0.70 0.00 0.00 55.95 57.43 1rj5 s SER 102 Cb 0.00 -2.09 0.32 0.00 -1.71 0.00 0.00 66.02 62.54 1rj5 s SER 102 CO 0.00 -0.19 1.18 -0.11 1.20 0.00 0.00 173.24 175.32 1rj5 n LEU 102 N -1.08 2.51 -3.92 3.45 7.94 -1.26 -4.84 117.00 119.80 1rj5 n LEU 102 Ca -0.03 -3.17 -0.30 0.00 -1.11 0.00 0.00 56.01 51.40 1rj5 n LEU 102 Cb 0.54 -0.45 -0.15 0.00 0.53 0.00 0.00 43.42 43.89 1rj5 n LEU 102 CO 0.48 0.78 -0.39 -1.61 -1.11 0.00 0.00 177.39 175.54 1rj5 s GLU 103 N -2.92 1.45 0.00 1.96 2.02 -1.26 -2.83 118.70 117.13 1rj5 s GLU 103 Ca 0.33 -1.14 0.00 0.00 0.02 0.00 0.00 54.97 54.18 1rj5 s GLU 103 Cb 0.29 -2.59 0.00 0.00 0.10 0.00 0.00 34.13 31.93 1rj5 s GLU 103 CO 0.02 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.00 1rj5 n GLY 104 N 4.63 1.00 3.79 -1.39 0.00 0.11 -3.95 105.19 109.38 1rj5 n GLY 104 Ca -0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.65 1rj5 n GLY 104 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1rj5 s SER 105 N 0.00 4.05 -0.25 1.61 1.04 -0.91 -3.31 113.70 115.93 1rj5 s SER 105 Ca 0.00 1.20 -0.04 0.00 0.48 0.00 0.00 55.95 57.59 1rj5 s SER 105 Cb 0.00 -1.87 -0.17 0.00 0.10 0.00 0.00 66.02 64.08 1rj5 s SER 105 CO 0.00 -2.24 -0.19 -0.62 0.98 0.00 0.00 173.24 171.17 1rj5 n GLU 106 N -3.59 0.64 -3.07 4.02 1.02 -1.26 -4.87 120.64 113.53 1rj5 n GLU 106 Ca 0.07 0.21 -0.36 0.00 -0.02 0.00 0.00 57.16 57.06 1rj5 n GLU 106 Cb 0.57 -1.54 -0.06 0.00 -0.02 0.00 0.00 31.44 30.39 1rj5 n GLU 106 CO 0.00 0.00 0.00 -1.01 1.18 0.00 0.00 177.13 177.30 1rj5 s HIS 107 N -2.51 3.64 0.31 -0.32 3.76 -1.26 -4.16 115.29 114.74 1rj5 s HIS 107 Ca -0.35 1.42 0.09 0.00 -0.15 0.00 0.00 55.06 56.08 1rj5 s HIS 107 Cb 0.10 -2.65 -0.05 0.00 1.11 0.00 0.00 32.58 31.10 1rj5 s HIS 107 CO 0.58 0.31 0.00 -1.01 -0.85 0.00 0.00 174.74 173.78 1rj5 s HIS 108 N -1.55 2.59 -0.25 1.40 3.76 -1.18 -4.63 115.29 115.42 1rj5 s HIS 108 Ca 0.44 -0.35 -0.02 0.00 -0.15 0.00 0.00 55.06 54.99 1rj5 s HIS 108 Cb -0.17 -1.36 0.08 0.00 1.11 0.00 0.00 32.58 32.25 1rj5 s HIS 108 CO 0.21 0.53 0.07 0.42 -0.85 0.00 0.00 174.74 175.12 1rj5 s ILE 109 N -2.44 0.67 -1.26 0.60 -1.09 -0.41 -1.50 121.20 115.77 1rj5 s ILE 109 Ca 0.34 -0.97 -0.02 0.00 -2.23 0.00 0.00 60.65 57.76 1rj5 s ILE 109 Cb -0.03 -1.34 0.00 0.00 -1.58 0.00 0.00 42.46 39.52 1rj5 s ILE 109 CO 0.19 -0.45 0.99 0.59 -1.23 0.00 0.00 174.94 175.03 1rj5 n ASN 110 N 4.96 -2.76 0.00 3.58 3.02 0.95 -2.08 115.26 122.94 1rj5 n ASN 110 Ca -0.06 -0.64 0.00 0.00 -0.03 0.00 0.00 54.58 53.85 1rj5 n ASN 110 Cb 0.44 -4.90 0.00 0.00 -0.61 0.00 0.00 39.78 34.71 1rj5 n ASN 110 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 1rj5 n SER 111 N -3.09 -1.66 -4.62 6.41 7.64 -1.26 -5.00 113.62 112.05 1rj5 n SER 111 Ca -0.23 0.00 -0.35 0.00 1.01 0.00 0.00 58.87 59.30 1rj5 n SER 111 Cb 0.65 -1.53 -0.10 0.00 -1.01 0.00 0.00 64.21 62.21 1rj5 n SER 111 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 1rj5 s GLU 112 N -0.69 3.96 0.10 1.43 2.02 -0.88 -5.03 118.70 119.60 1rj5 s GLU 112 Ca 0.00 -0.34 0.03 0.00 0.02 0.00 0.00 54.97 54.68 1rj5 s GLU 112 Cb 0.00 -3.32 -0.04 0.00 0.10 0.00 0.00 34.13 30.87 1rj5 s GLU 112 CO 0.00 0.15 0.10 0.00 0.02 0.00 0.00 175.26 175.53 1rj5 s ALA 113 N 0.74 3.59 0.34 5.21 0.00 -1.26 -1.29 121.76 129.08 1rj5 s ALA 113 Ca 0.05 -1.05 0.05 0.00 0.00 0.00 0.00 51.96 51.00 1rj5 s ALA 113 Cb -0.13 -1.44 0.05 0.00 0.00 0.00 0.00 23.12 21.61 1rj5 s ALA 113 CO 0.02 0.69 0.44 0.25 0.00 0.00 0.00 175.76 177.16 1rj5 n THR 114 N 0.25 0.00 0.06 0.00 -2.24 -1.26 -4.79 114.28 106.30 1rj5 n THR 114 Ca -0.08 -1.03 -0.03 0.00 -2.27 0.00 0.00 64.05 60.64 1rj5 n THR 114 Cb 0.52 -0.77 0.20 0.00 -2.10 0.00 0.00 70.33 68.19 1rj5 n THR 114 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1rj5 h ALA 115 N 0.22 1.08 -2.88 6.98 0.00 -1.10 0.34 119.26 123.89 1rj5 h ALA 115 Ca -0.15 -0.40 0.04 0.00 0.00 0.00 0.00 54.91 54.40 1rj5 h ALA 115 Cb 0.67 -0.10 -0.10 0.00 0.00 0.00 0.00 17.79 18.27 1rj5 h ALA 115 CO 0.21 0.59 0.26 0.00 0.00 0.00 0.00 179.25 180.31 1rj5 s ALA 116 N -4.24 -1.50 -0.02 0.00 0.00 -0.75 -2.67 121.76 112.57 1rj5 s ALA 116 Ca -0.05 0.26 0.01 0.00 0.00 0.00 0.00 51.96 52.18 1rj5 s ALA 116 Cb 0.13 0.81 0.01 0.00 0.00 0.00 0.00 23.12 24.08 1rj5 s ALA 116 CO 0.78 -0.87 -0.03 -2.00 0.00 0.00 0.00 175.76 173.65 1rj5 s GLU 117 N -3.71 0.45 -0.21 0.00 2.12 -0.66 0.96 118.70 117.65 1rj5 s GLU 117 Ca 0.05 -0.07 -0.09 0.00 0.36 0.00 0.00 54.97 55.23 1rj5 s GLU 117 Cb -0.03 -0.50 -0.04 0.00 0.26 0.00 0.00 34.13 33.82 1rj5 s GLU 117 CO -0.05 -0.02 0.10 -1.17 -0.54 0.00 0.00 175.26 173.58 1rj5 s LEU 118 N 0.51 3.93 -0.17 2.70 2.96 0.10 -1.60 118.68 127.12 1rj5 s LEU 118 Ca -0.06 0.09 -0.01 0.00 -0.22 0.00 0.00 54.13 53.93 1rj5 s LEU 118 Cb -0.09 -2.02 -0.00 0.00 0.50 0.00 0.00 46.19 44.58 1rj5 s LEU 118 CO -0.01 0.12 -0.12 -1.00 -1.32 0.00 0.00 176.35 174.02 1rj5 s HIS 119 N 0.69 2.84 -0.40 5.38 3.76 -0.81 -0.35 115.29 126.40 1rj5 s HIS 119 Ca 0.05 -1.04 -0.05 0.00 -0.15 0.00 0.00 55.06 53.88 1rj5 s HIS 119 Cb -0.13 -1.95 0.09 0.00 1.11 0.00 0.00 32.58 31.71 1rj5 s HIS 119 CO 0.01 -0.50 0.20 0.08 -0.85 0.00 0.00 174.74 173.68 1rj5 s VAL 120 N 1.00 3.56 -0.09 -0.90 1.01 -0.33 -1.96 120.40 122.69 1rj5 s VAL 120 Ca -0.01 -1.77 -0.28 0.00 0.00 0.00 0.00 61.98 59.91 1rj5 s VAL 120 Cb -0.15 -3.31 -0.02 0.00 0.00 0.00 0.00 36.38 32.91 1rj5 s VAL 120 CO -0.02 -0.57 0.94 -0.69 0.00 0.00 0.00 175.10 174.76 1rj5 s VAL 121 N 1.25 4.84 0.40 2.92 1.01 -0.57 -1.49 120.40 128.76 1rj5 s VAL 121 Ca 0.05 1.92 0.07 0.00 0.00 0.00 0.00 61.98 64.02 1rj5 s VAL 121 Cb -0.23 -4.26 -0.08 0.00 0.00 0.00 0.00 36.38 31.82 1rj5 s VAL 121 CO -0.02 0.06 -0.00 -1.00 0.00 0.00 0.00 175.10 174.14 1rj5 s HIS 122 N 1.75 2.47 -0.01 5.22 3.76 0.80 -1.79 115.29 127.49 1rj5 s HIS 122 Ca 0.46 -0.66 -0.05 0.00 -0.15 0.00 0.00 55.06 54.66 1rj5 s HIS 122 Cb -0.18 -1.70 0.00 0.00 1.11 0.00 0.00 32.58 31.81 1rj5 s HIS 122 CO 0.19 0.44 0.10 1.52 -0.85 0.00 0.00 174.74 176.14 1rj5 s TYR 123 N -2.73 0.01 -0.83 1.40 -0.85 -0.81 -1.97 117.35 111.58 1rj5 s TYR 123 Ca 0.35 -0.03 -0.25 0.00 -0.52 0.00 0.00 57.07 56.62 1rj5 s TYR 123 Cb 0.09 -0.04 -0.06 0.00 0.38 0.00 0.00 41.96 42.33 1rj5 s TYR 123 CO 0.18 -0.18 2.05 0.34 -1.52 0.00 0.00 175.55 176.42 1rj5 s ASP 124 N -0.83 4.86 0.44 -0.18 3.68 0.86 -1.22 116.67 124.29 1rj5 s ASP 124 Ca -0.09 -0.33 0.23 0.00 2.13 0.00 0.00 52.55 54.50 1rj5 s ASP 124 Cb -0.05 -2.55 0.96 0.00 -1.45 0.00 0.00 42.92 39.82 1rj5 s ASP 124 CO 0.01 -2.95 1.85 0.77 0.13 0.00 0.00 175.17 174.98 1rj5 h SER 125 N 12.39 0.00 -0.02 -0.34 4.64 -1.71 -1.15 113.55 127.35 1rj5 h SER 125 Ca 0.02 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.34 1rj5 h SER 125 Cb 1.03 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.12 1rj5 h SER 125 CO 1.17 0.24 0.09 -0.61 -0.87 0.00 0.00 176.83 176.84 1rj5 h GLN 126 N 0.00 0.00 0.00 4.77 4.15 -1.86 -3.28 115.11 118.89 1rj5 h GLN 126 Ca -0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1rj5 h GLN 126 Cb 0.71 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.40 1rj5 h GLN 126 CO 0.03 0.00 -0.68 0.43 -1.93 0.00 0.00 178.83 176.68 1rj5 n SER 127 N -3.18 3.31 -4.59 -0.69 7.64 -1.07 -5.10 113.62 109.94 1rj5 n SER 127 Ca -0.02 0.00 -0.23 0.00 1.01 0.00 0.00 58.87 59.62 1rj5 n SER 127 Cb 0.16 0.29 -0.08 0.00 -1.01 0.00 0.00 64.21 63.56 1rj5 n SER 127 CO 0.00 0.00 0.00 -0.31 -3.01 0.00 0.00 175.04 171.72 1rj5 s TYR 128 N -1.68 2.55 -0.02 1.43 1.51 -0.46 -5.08 117.35 115.59 1rj5 s TYR 128 Ca 0.00 -0.28 -0.01 0.00 -1.01 0.00 0.00 57.07 55.77 1rj5 s TYR 128 Cb 0.00 -1.17 -0.00 0.00 -0.11 0.00 0.00 41.96 40.67 1rj5 s TYR 128 CO 0.00 0.63 0.07 0.66 -1.11 0.00 0.00 175.55 175.80 1rj5 h SER 129 N 1.99 -0.02 -4.61 2.29 4.64 -1.86 -3.39 113.55 112.58 1rj5 h SER 129 Ca -0.43 0.00 -0.28 0.00 -0.47 0.00 0.00 61.79 60.61 1rj5 h SER 129 Cb 1.25 0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 63.32 1rj5 h SER 129 CO 0.61 0.12 -0.14 -1.54 -0.87 0.00 0.00 176.83 175.01 1rj5 n SER 130 N -2.79 1.89 0.16 4.97 3.41 -1.26 -4.97 113.62 115.04 1rj5 n SER 130 Ca -0.00 -1.93 -0.12 0.00 -0.26 0.00 0.00 58.87 56.55 1rj5 n SER 130 Cb 0.01 -0.01 -0.07 0.00 -0.26 0.00 0.00 64.21 63.88 1rj5 n SER 130 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 175.04 175.13 1rj5 h LEU 131 N 0.00 -0.38 -1.97 1.04 5.85 -1.97 -3.18 115.31 114.71 1rj5 h LEU 131 Ca -0.17 -0.17 0.33 0.00 0.84 0.00 0.00 57.88 58.71 1rj5 h LEU 131 Cb 0.62 0.10 -0.05 0.00 0.37 0.00 0.00 40.66 41.70 1rj5 h LEU 131 CO 0.27 0.05 0.85 0.77 -0.34 0.00 0.00 178.44 180.03 1rj5 h SER 132 N -0.88 0.00 0.21 1.25 4.64 -2.00 -2.16 113.55 114.60 1rj5 h SER 132 Ca -0.05 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.26 1rj5 h SER 132 Cb 0.53 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.62 1rj5 h SER 132 CO 0.07 0.00 -0.10 -0.08 -0.87 0.00 0.00 176.83 175.85 1rj5 h GLU 133 N 0.00 -0.27 -0.02 4.77 4.81 -1.96 -3.33 114.58 118.58 1rj5 h GLU 133 Ca 0.54 0.02 0.01 0.00 -0.13 0.00 0.00 59.36 59.80 1rj5 h GLU 133 Cb 2.23 0.06 -0.00 0.00 0.63 0.00 0.00 28.75 31.67 1rj5 h GLU 133 CO -0.01 -0.02 0.03 0.00 -0.73 0.00 0.00 179.01 178.28 1rj5 h ALA 134 N -0.80 1.47 -1.29 2.92 0.00 -1.41 -3.30 119.26 116.86 1rj5 h ALA 134 Ca -0.03 -0.00 0.38 0.00 0.00 0.00 0.00 54.91 55.26 1rj5 h ALA 134 Cb 0.38 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.12 1rj5 h ALA 134 CO 0.05 -0.04 1.27 0.00 0.00 0.00 0.00 179.25 180.54 1rj5 h ALA 135 N 1.97 3.23 0.00 0.00 0.00 -1.53 0.86 119.26 123.78 1rj5 h ALA 135 Ca 0.01 -0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.87 1rj5 h ALA 135 Cb 0.06 0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1rj5 h ALA 135 CO -0.00 -1.94 -0.39 1.04 0.00 0.00 0.00 179.25 177.95 1rj5 n GLN 136 N -3.44 1.44 -4.63 0.00 6.02 -1.24 -4.57 117.38 110.96 1rj5 n GLN 136 Ca 0.29 -3.06 -0.33 0.00 -0.01 0.00 0.00 57.00 53.89 1rj5 n GLN 136 Cb 1.66 -1.52 -0.11 0.00 1.02 0.00 0.00 30.24 31.29 1rj5 n GLN 136 CO 0.00 0.00 0.00 0.15 -1.01 0.00 0.00 177.06 176.20 1rj5 s LYS 137 N -3.00 2.57 0.05 -1.09 -0.14 0.30 -5.02 119.74 113.41 1rj5 s LYS 137 Ca 0.36 -0.67 -0.33 0.00 -1.36 0.00 0.00 55.97 53.96 1rj5 s LYS 137 Cb 0.34 -2.48 -0.12 0.00 -1.68 0.00 0.00 37.83 33.89 1rj5 s LYS 137 CO -0.05 0.62 1.78 -2.30 -0.76 0.00 0.00 175.35 174.65 1rj5 n PRO 138 N 1.96 2.37 -1.24 -1.68 -0.02 -1.26 -0.23 135.00 134.89 1rj5 n PRO 138 Ca -0.17 0.86 -0.08 0.00 -2.02 0.00 0.00 63.50 62.09 1rj5 n PRO 138 Cb 0.53 -2.70 -0.03 0.00 -0.02 0.00 0.00 33.50 31.27 1rj5 n PRO 138 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1rj5 n GLN 139 N 5.41 -0.99 -0.21 -0.52 1.13 -1.18 -4.91 117.38 116.10 1rj5 n GLN 139 Ca 0.19 0.72 -0.08 0.00 -1.94 0.00 0.00 57.00 55.89 1rj5 n GLN 139 Cb 0.32 -4.70 0.03 0.00 0.11 0.00 0.00 30.24 25.99 1rj5 n GLN 139 CO 0.00 0.00 0.00 0.78 -1.44 0.00 0.00 177.06 176.40 1rj5 h GLY 140 N 0.00 1.02 -3.03 1.08 0.00 -0.21 -3.44 103.07 98.48 1rj5 h GLY 140 Ca -0.17 -0.62 -0.51 0.00 0.00 0.00 0.00 47.33 46.04 1rj5 h GLY 140 CO 0.24 0.57 -0.52 1.08 0.00 0.00 0.00 176.54 177.92 1rj5 s LEU 141 N -9.62 3.86 -0.15 3.11 1.43 -0.85 -0.10 118.68 116.36 1rj5 s LEU 141 Ca -0.13 -0.21 -0.04 0.00 -1.03 0.00 0.00 54.13 52.73 1rj5 s LEU 141 Cb 0.13 -2.40 0.07 0.00 0.03 0.00 0.00 46.19 44.02 1rj5 s LEU 141 CO 0.81 -0.03 0.18 0.00 0.23 0.00 0.00 176.35 177.54 1rj5 s ALA 142 N -2.08 -0.13 0.13 4.21 0.00 -0.83 -1.86 121.76 121.20 1rj5 s ALA 142 Ca 0.33 0.31 0.06 0.00 0.00 0.00 0.00 51.96 52.66 1rj5 s ALA 142 Cb -0.08 -1.07 -0.04 0.00 0.00 0.00 0.00 23.12 21.93 1rj5 s ALA 142 CO 0.25 -0.93 -0.00 0.08 0.00 0.00 0.00 175.76 175.15 1rj5 s VAL 143 N 2.29 3.83 -0.19 0.00 1.01 -1.24 -0.14 120.40 125.97 1rj5 s VAL 143 Ca 0.04 -1.22 -0.02 0.00 0.00 0.00 0.00 61.98 60.79 1rj5 s VAL 143 Cb -0.14 -2.88 -0.00 0.00 0.00 0.00 0.00 36.38 33.36 1rj5 s VAL 143 CO -0.09 0.00 -0.10 -0.76 0.00 0.00 0.00 175.10 174.16 1rj5 s LEU 144 N -2.62 2.69 -0.25 3.92 1.43 -0.55 -2.54 118.68 120.75 1rj5 s LEU 144 Ca 0.26 -0.43 -0.08 0.00 -1.03 0.00 0.00 54.13 52.86 1rj5 s LEU 144 Cb -0.10 -1.65 -0.03 0.00 0.03 0.00 0.00 46.19 44.43 1rj5 s LEU 144 CO 0.18 0.03 0.08 -0.83 0.23 0.00 0.00 176.35 176.04 1rj5 s GLY 145 N 1.15 1.78 -0.22 -3.19 0.00 -0.08 -1.19 107.32 105.57 1rj5 s GLY 145 Ca 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 44.72 43.58 1rj5 s GLY 145 CO -0.03 0.54 -0.05 -0.42 0.00 0.00 0.00 173.10 173.14 1rj5 s ILE 146 N 1.61 3.26 0.22 0.90 1.09 0.53 -1.99 121.20 126.80 1rj5 s ILE 146 Ca 0.06 -0.57 -0.26 0.00 -1.10 0.00 0.00 60.65 58.78 1rj5 s ILE 146 Cb -0.15 -2.49 -0.09 0.00 -1.06 0.00 0.00 42.46 38.67 1rj5 s ILE 146 CO 0.04 0.41 0.85 -0.76 -0.10 0.00 0.00 174.94 175.38 1rj5 s LEU 147 N 1.46 4.56 -0.17 2.97 1.43 -1.26 0.02 118.68 127.68 1rj5 s LEU 147 Ca 0.05 1.75 0.00 0.00 -1.03 0.00 0.00 54.13 54.91 1rj5 s LEU 147 Cb -0.14 -3.51 0.01 0.00 0.03 0.00 0.00 46.19 42.57 1rj5 s LEU 147 CO -0.04 0.14 -0.17 -0.63 0.23 0.00 0.00 176.35 175.88 1rj5 s ILE 148 N -1.25 2.35 0.35 -0.59 1.01 0.27 -1.52 121.20 121.82 1rj5 s ILE 148 Ca 0.40 -0.85 0.08 0.00 0.00 0.00 0.00 60.65 60.27 1rj5 s ILE 148 Cb -0.23 -2.00 -0.03 0.00 0.01 0.00 0.00 42.46 40.22 1rj5 s ILE 148 CO 0.27 0.52 0.30 -1.61 0.00 0.00 0.00 174.94 174.42 1rj5 s GLU 149 N 1.16 2.66 -0.39 2.79 2.02 0.26 -1.47 118.70 125.74 1rj5 s GLU 149 Ca 0.01 -1.36 -0.17 0.00 0.02 0.00 0.00 54.97 53.47 1rj5 s GLU 149 Cb -0.14 -2.44 0.01 0.00 0.10 0.00 0.00 34.13 31.66 1rj5 s GLU 149 CO -0.08 0.04 0.43 0.08 0.02 0.00 0.00 175.26 175.76 1rj5 s VAL 150 N -2.35 5.09 0.39 2.63 1.01 -1.26 -1.70 120.40 124.22 1rj5 s VAL 150 Ca 0.42 -0.10 0.07 0.00 0.00 0.00 0.00 61.98 62.36 1rj5 s VAL 150 Cb -0.05 -3.97 0.07 0.00 0.00 0.00 0.00 36.38 32.43 1rj5 s VAL 150 CO 0.27 -0.30 0.55 0.61 0.00 0.00 0.00 175.10 176.22 1rj5 n GLY 151 N 5.01 1.94 0.13 4.51 0.00 -0.55 -4.88 105.19 111.36 1rj5 n GLY 151 Ca -0.07 -2.19 -0.21 0.00 0.00 0.00 0.00 46.02 43.54 1rj5 n GLY 151 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1rj5 h GLU 151 N 0.00 0.41 -6.54 1.61 4.39 -1.97 -3.35 114.58 109.12 1rj5 h GLU 151 Ca -0.18 -0.70 -0.52 0.00 0.34 0.00 0.00 59.36 58.30 1rj5 h GLU 151 Cb 0.85 0.26 -0.02 0.00 -0.10 0.00 0.00 28.75 29.74 1rj5 h GLU 151 CO 0.26 1.32 -0.07 -0.08 -1.16 0.00 0.00 179.01 179.28 1rj5 s THR 152 N -2.61 4.92 0.03 1.13 -1.32 -1.26 -4.84 115.64 111.69 1rj5 s THR 152 Ca -0.10 0.39 -0.30 0.00 -1.21 0.00 0.00 61.69 60.47 1rj5 s THR 152 Cb 0.05 -3.67 -0.05 0.00 -1.51 0.00 0.00 72.50 67.32 1rj5 s THR 152 CO 0.90 -0.24 1.22 -0.70 -2.21 0.00 0.00 174.62 173.59 1rj5 s GLU 153 N -3.25 4.40 -0.49 7.08 2.56 -1.26 -3.04 118.70 124.69 1rj5 s GLU 153 Ca 0.47 1.77 -0.20 0.00 0.00 0.00 0.00 54.97 57.01 1rj5 s GLU 153 Cb -0.11 -3.42 0.04 0.00 2.00 0.00 0.00 34.13 32.65 1rj5 s GLU 153 CO 0.26 -0.34 0.67 1.21 -0.56 0.00 0.00 175.26 176.49 1rj5 s ASN 154 N 1.25 6.27 0.35 -1.70 3.84 -1.26 -4.92 114.94 118.76 1rj5 s ASN 154 Ca 0.59 -0.67 0.03 0.00 0.21 0.00 0.00 52.86 53.01 1rj5 s ASN 154 Cb -0.29 -2.32 0.63 0.00 -0.55 0.00 0.00 41.25 38.73 1rj5 s ASN 154 CO 0.27 -0.90 1.98 1.55 -2.79 0.00 0.00 177.10 177.21 1rj5 h PRO 155 N 9.00 0.76 -0.64 0.43 0.13 -1.94 -2.62 132.00 137.11 1rj5 h PRO 155 Ca -0.27 -0.07 0.08 0.00 -0.87 0.00 0.00 66.00 64.87 1rj5 h PRO 155 Cb 1.09 -0.16 -0.07 0.00 0.13 0.00 0.00 31.00 32.00 1rj5 h PRO 155 CO 0.95 0.55 0.31 0.00 -0.23 0.00 0.00 178.00 179.58 1rj5 h ALA 156 N 1.58 0.86 0.00 -0.56 0.00 -1.92 -2.33 119.26 116.89 1rj5 h ALA 156 Ca 0.20 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.16 1rj5 h ALA 156 Cb 0.00 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.76 1rj5 h ALA 156 CO -0.04 -0.08 -0.03 1.88 0.00 0.00 0.00 179.25 180.98 1rj5 h TYR 157 N 0.54 0.00 0.00 0.00 -1.99 -1.80 -3.17 116.97 110.56 1rj5 h TYR 157 Ca 0.31 0.00 -0.02 0.00 2.00 0.00 0.00 58.73 61.03 1rj5 h TYR 157 Cb 0.31 0.00 -0.00 0.00 2.00 0.00 0.00 36.73 39.04 1rj5 h TYR 157 CO -0.12 0.03 -0.08 -0.44 -0.00 0.00 0.00 178.16 177.55 1rj5 h ASP 158 N 0.00 0.00 0.00 3.88 3.32 -1.28 -0.38 116.42 121.96 1rj5 h ASP 158 Ca -0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rj5 h ASP 158 Cb 0.85 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.40 1rj5 h ASP 158 CO 0.00 0.08 0.05 1.41 -1.72 0.00 0.00 179.24 179.06 1rj5 n HIS 159 N -3.54 0.35 0.00 4.55 8.25 -1.20 -1.22 115.22 122.42 1rj5 n HIS 159 Ca -0.02 0.19 0.00 0.00 -0.26 0.00 0.00 57.72 57.63 1rj5 n HIS 159 Cb 0.20 -0.76 0.00 0.00 1.12 0.00 0.00 29.99 30.55 1rj5 n HIS 159 CO 0.00 0.00 0.00 -0.89 0.64 0.00 0.00 176.34 176.09 1rj5 n ILE 160 N -1.86 0.00 0.18 1.59 5.41 -0.27 -4.73 119.36 119.68 1rj5 n ILE 160 Ca -0.01 0.00 0.05 0.00 1.00 0.00 0.00 62.75 63.79 1rj5 n ILE 160 Cb 0.06 -0.63 0.27 0.00 -0.71 0.00 0.00 39.64 38.63 1rj5 n ILE 160 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 176.55 176.48 1rj5 h LEU 161 N 0.00 0.00 -0.76 1.39 3.38 -0.96 -3.05 115.31 115.31 1rj5 h LEU 161 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rj5 h LEU 161 Cb 0.95 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1rj5 h LEU 161 CO 0.00 0.42 0.00 0.28 0.09 0.00 0.00 178.44 179.23 1rj5 h SER 162 N 0.00 0.00 -0.30 -0.43 0.02 -1.41 -3.20 113.55 108.22 1rj5 h SER 162 Ca -0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1rj5 h SER 162 Cb 1.01 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.55 1rj5 h SER 162 CO 0.05 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.28 1rj5 n ARG 163 N -2.85 2.87 0.20 3.45 1.74 -1.16 -4.63 116.66 116.29 1rj5 n ARG 163 Ca 0.02 -2.14 0.04 0.00 -0.77 0.00 0.00 57.85 55.00 1rj5 n ARG 163 Cb 0.37 -1.34 0.42 0.00 -1.02 0.00 0.00 32.46 30.89 1rj5 n ARG 163 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 1rj5 h LEU 164 N 1.80 0.00 -1.26 0.55 3.38 -1.54 -2.51 115.31 115.72 1rj5 h LEU 164 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rj5 h LEU 164 Cb 0.83 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.58 1rj5 h LEU 164 CO 0.04 0.30 0.00 1.12 0.09 0.00 0.00 178.44 179.99 1rj5 h HIS 165 N 0.00 0.00 0.00 1.13 2.07 -1.84 -2.44 115.15 114.07 1rj5 h HIS 165 Ca -0.00 0.00 -0.16 0.00 -2.85 0.00 0.00 60.37 57.36 1rj5 h HIS 165 Cb 0.56 0.00 -0.02 0.00 2.57 0.00 0.00 27.41 30.52 1rj5 h HIS 165 CO 0.00 0.00 -0.76 0.93 -3.07 0.00 0.00 177.93 175.03 1rj5 h GLU 166 N 0.00 0.00 -0.90 5.12 5.08 -1.79 -3.30 114.58 118.79 1rj5 h GLU 166 Ca 0.00 0.00 -0.58 0.00 -1.00 0.00 0.00 59.36 57.78 1rj5 h GLU 166 Cb 0.41 0.00 -0.41 0.00 0.50 0.00 0.00 28.75 29.25 1rj5 h GLU 166 CO 0.00 0.76 -0.54 0.44 -1.00 0.00 0.00 179.01 178.67 1rj5 n ILE 167 N -3.52 2.69 -0.09 3.13 -5.35 -0.94 -4.80 119.36 110.47 1rj5 n ILE 167 Ca -0.00 -4.12 -0.11 0.00 -0.27 0.00 0.00 62.75 58.25 1rj5 n ILE 167 Cb 0.76 -1.16 -0.05 0.00 -1.74 0.00 0.00 39.64 37.45 1rj5 n ILE 167 CO 0.00 0.00 0.00 0.03 -1.76 0.00 0.00 176.55 174.82 1rj5 h ARG 168 N 2.22 -0.36 -6.74 6.28 3.08 -1.60 -3.43 114.38 113.83 1rj5 h ARG 168 Ca 0.40 0.02 -0.50 0.00 0.07 0.00 0.00 59.98 59.97 1rj5 h ARG 168 Cb 1.34 0.08 -0.01 0.00 0.08 0.00 0.00 29.97 31.47 1rj5 h ARG 168 CO 0.90 -0.24 0.06 0.71 -1.07 0.00 0.00 179.97 180.33 1rj5 s TYR 169 N -5.87 3.45 0.21 3.04 1.51 -1.26 0.49 117.35 118.92 1rj5 s TYR 169 Ca -0.15 1.01 -0.32 0.00 -1.01 0.00 0.00 57.07 56.60 1rj5 s TYR 169 Cb 0.11 -2.40 -0.14 0.00 -0.11 0.00 0.00 41.96 39.42 1rj5 s TYR 169 CO 0.65 -0.00 1.37 1.17 -1.11 0.00 0.00 175.55 177.63 1rj5 n LYS 170 N -0.97 1.84 -0.10 -0.62 4.81 0.19 -2.13 118.16 121.17 1rj5 n LYS 170 Ca 0.02 0.66 0.00 0.00 -0.87 0.00 0.00 58.31 58.11 1rj5 n LYS 170 Cb 0.54 -2.29 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1rj5 n LYS 170 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 1rj5 n ASP 171 N 2.27 0.00 -4.79 3.14 8.00 0.52 -4.41 116.55 121.28 1rj5 n ASP 171 Ca 0.13 0.00 -0.35 0.00 0.71 0.00 0.00 54.79 55.28 1rj5 n ASP 171 Cb 0.29 0.00 -0.03 0.00 -0.02 0.00 0.00 41.12 41.36 1rj5 n ASP 171 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rj5 s GLN 172 N -0.31 3.97 0.35 -1.24 -0.21 -0.91 -4.77 119.66 116.54 1rj5 s GLN 172 Ca 0.00 1.47 0.05 0.00 0.02 0.00 0.00 55.36 56.91 1rj5 s GLN 172 Cb 0.00 -2.34 -0.03 0.00 1.00 0.00 0.00 33.01 31.64 1rj5 s GLN 172 CO 0.00 -0.30 0.21 -1.59 -2.12 0.00 0.00 175.29 171.49 1rj5 s LYS 173 N -2.83 1.78 -0.01 2.91 -2.85 -1.26 -1.39 119.74 116.10 1rj5 s LYS 173 Ca 0.62 -2.05 -0.30 0.00 -1.00 0.00 0.00 55.97 53.25 1rj5 s LYS 173 Cb -0.20 -0.03 0.12 0.00 -2.06 0.00 0.00 37.83 35.65 1rj5 s LYS 173 CO 0.25 -0.57 1.27 -0.08 0.10 0.00 0.00 175.35 176.33 1rj5 s THR 174 N -3.41 0.00 0.14 3.79 -1.32 -0.97 -4.83 115.64 109.04 1rj5 s THR 174 Ca 0.34 -0.24 0.08 0.00 -1.21 0.00 0.00 61.69 60.67 1rj5 s THR 174 Cb 0.03 -2.14 -0.04 0.00 -1.51 0.00 0.00 72.50 68.83 1rj5 s THR 174 CO 0.22 0.00 -0.12 -0.44 -2.21 0.00 0.00 174.62 172.07 1rj5 s SER 175 N -3.10 4.19 0.04 8.08 0.01 -1.26 -0.53 113.70 121.13 1rj5 s SER 175 Ca 0.16 -0.52 0.03 0.00 1.31 0.00 0.00 55.95 56.93 1rj5 s SER 175 Cb 0.04 -0.70 -0.02 0.00 0.21 0.00 0.00 66.02 65.54 1rj5 s SER 175 CO -0.03 0.14 -0.09 0.68 0.41 0.00 0.00 173.24 174.35 1rj5 s VAL 176 N -1.43 0.67 0.19 3.43 -7.23 -0.63 -4.90 120.40 110.50 1rj5 s VAL 176 Ca 0.22 -0.93 -0.32 0.00 -1.81 0.00 0.00 61.98 59.14 1rj5 s VAL 176 Cb -0.10 -0.67 -0.12 0.00 0.56 0.00 0.00 36.38 36.05 1rj5 s VAL 176 CO 0.13 -0.21 1.74 -2.84 -0.31 0.00 0.00 175.10 173.61 1rj5 s PRO 177 N -1.26 4.13 0.02 4.82 0.02 -1.26 -2.15 135.00 139.32 1rj5 s PRO 177 Ca -0.05 2.60 -0.34 0.00 0.02 0.00 0.00 61.00 63.23 1rj5 s PRO 177 Cb -0.08 -3.17 -0.12 0.00 0.02 0.00 0.00 34.50 31.14 1rj5 s PRO 177 CO 0.01 -0.76 1.78 -0.35 -0.33 0.00 0.00 177.00 177.34 1rj5 n PRO 178 N 4.30 2.25 -4.48 5.54 -0.04 -1.26 -4.90 135.00 136.41 1rj5 n PRO 178 Ca 0.16 0.82 -0.30 0.00 -0.04 0.00 0.00 63.50 64.14 1rj5 n PRO 178 Cb 0.36 -2.65 -0.07 0.00 -0.04 0.00 0.00 33.50 31.10 1rj5 n PRO 178 CO 0.00 0.00 0.00 -0.59 -0.04 0.00 0.00 175.50 174.87 1rj5 s PHE 179 N 2.90 2.01 -0.55 0.54 -0.12 -1.26 -4.90 117.98 116.60 1rj5 s PHE 179 Ca 0.87 -0.84 -0.27 0.00 -0.05 0.00 0.00 56.93 56.64 1rj5 s PHE 179 Cb -0.66 -1.74 0.03 0.00 -0.63 0.00 0.00 43.02 40.02 1rj5 s PHE 179 CO 0.45 0.11 1.07 0.45 -0.05 0.00 0.00 175.22 177.26 1rj5 s SER 180 N -3.94 6.43 0.33 1.98 0.15 -1.26 -4.57 113.70 112.82 1rj5 s SER 180 Ca 0.20 -0.02 0.11 0.00 0.70 0.00 0.00 55.95 56.94 1rj5 s SER 180 Cb 0.02 -2.50 0.57 0.00 -1.71 0.00 0.00 66.02 62.41 1rj5 s SER 180 CO 0.11 -1.33 1.75 0.58 1.20 0.00 0.00 173.24 175.55 1rj5 h VAL 181 N 6.11 1.32 -0.83 4.45 2.07 -1.64 -2.69 116.25 125.04 1rj5 h VAL 181 Ca -0.25 -1.55 0.23 0.00 0.82 0.00 0.00 66.70 65.95 1rj5 h VAL 181 Cb 1.06 1.81 -0.04 0.00 -1.52 0.00 0.00 31.29 32.61 1rj5 h VAL 181 CO 1.13 0.45 0.58 -0.09 0.02 0.00 0.00 177.57 179.66 1rj5 h ARG 182 N 0.04 0.10 0.00 1.57 9.65 -1.60 0.42 114.38 124.56 1rj5 h ARG 182 Ca -0.00 -0.01 0.00 0.00 -1.10 0.00 0.00 59.98 58.87 1rj5 h ARG 182 Cb 0.81 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.36 1rj5 h ARG 182 CO 0.06 0.06 0.00 -1.91 2.80 0.00 0.00 179.97 180.98 1rj5 n GLU 183 N -4.35 0.27 0.10 0.20 4.07 -1.01 -2.54 120.64 117.37 1rj5 n GLU 183 Ca 0.17 0.08 0.12 0.00 -0.06 0.00 0.00 57.16 57.47 1rj5 n GLU 183 Cb 0.83 -1.50 0.07 0.00 -0.06 0.00 0.00 31.44 30.78 1rj5 n GLU 183 CO 0.00 0.00 0.00 -0.07 -0.06 0.00 0.00 177.13 177.00 1rj5 h LEU 184 N 0.00 0.00-10.11 4.31 3.38 -0.32 -3.44 115.31 109.13 1rj5 h LEU 184 Ca 0.00 -0.08 -0.50 0.00 0.09 0.00 0.00 57.88 57.39 1rj5 h LEU 184 Cb 0.24 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.99 1rj5 h LEU 184 CO 0.00 0.04 0.08 -0.36 0.09 0.00 0.00 178.44 178.29 1rj5 s PHE 185 N -3.28 3.45 0.80 1.13 0.08 -1.05 -4.87 117.98 114.23 1rj5 s PHE 185 Ca 0.02 1.03 -0.14 0.00 0.12 0.00 0.00 56.93 57.97 1rj5 s PHE 185 Cb 0.11 -2.42 0.07 0.00 -0.57 0.00 0.00 43.02 40.20 1rj5 s PHE 185 CO 0.76 -0.02 1.09 -0.35 -0.10 0.00 0.00 175.22 176.60 1rj5 n PRO 186 N -1.03 0.20 -0.26 0.24 -0.04 -1.26 -4.90 135.00 127.96 1rj5 n PRO 186 Ca 0.02 0.14 -0.01 0.00 -0.04 0.00 0.00 63.50 63.61 1rj5 n PRO 186 Cb 0.54 -2.35 0.19 0.00 -0.04 0.00 0.00 33.50 31.84 1rj5 n PRO 186 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 1rj5 h GLN 187 N -0.84 1.08 -5.19 0.54 4.15 -1.93 -3.40 115.11 109.51 1rj5 h GLN 187 Ca -0.46 -0.09 -0.65 0.00 0.77 0.00 0.00 58.65 58.22 1rj5 h GLN 187 Cb 1.30 -0.23 -0.25 0.00 0.21 0.00 0.00 27.48 28.51 1rj5 h GLN 187 CO 0.45 0.74 -0.71 -0.65 -1.93 0.00 0.00 178.83 176.74 1rj5 s GLN 188 N -5.84 3.51 -0.02 1.69 -0.21 -1.26 -5.00 119.66 112.53 1rj5 s GLN 188 Ca -0.11 -0.59 0.14 0.00 0.02 0.00 0.00 55.36 54.82 1rj5 s GLN 188 Cb 0.17 -2.90 0.42 0.00 1.00 0.00 0.00 33.01 31.71 1rj5 s GLN 188 CO 0.80 0.08 1.35 1.28 -2.12 0.00 0.00 175.29 176.68 1rj5 n LEU 189 N 3.99 3.33 -0.19 2.90 4.77 -1.26 -4.67 117.00 125.86 1rj5 n LEU 189 Ca -0.18 -2.11 -0.08 0.00 -0.03 0.00 0.00 56.01 53.62 1rj5 n LEU 189 Cb 0.52 -0.33 0.02 0.00 -2.33 0.00 0.00 43.42 41.30 1rj5 n LEU 189 CO 0.31 0.79 0.99 -0.33 -1.33 0.00 0.00 177.39 177.81 1rj5 h GLU 190 N 2.60 0.80 -5.52 3.23 3.07 -1.94 -3.42 114.58 113.39 1rj5 h GLU 190 Ca 0.00 -0.13 -0.62 0.00 -0.50 0.00 0.00 59.36 58.11 1rj5 h GLU 190 Cb 0.89 -0.14 -0.12 0.00 -0.84 0.00 0.00 28.75 28.54 1rj5 h GLU 190 CO 0.03 0.67 0.17 -0.65 -1.40 0.00 0.00 179.01 177.84 1rj5 s GLN 190 N -5.63 3.88 0.16 2.33 -0.21 -1.26 -4.71 119.66 114.22 1rj5 s GLN 190 Ca -0.13 0.30 -0.16 0.00 0.02 0.00 0.00 55.36 55.39 1rj5 s GLN 190 Cb 0.12 -3.74 0.03 0.00 1.00 0.00 0.00 33.01 30.42 1rj5 s GLN 190 CO 0.78 -0.60 0.45 -0.59 -2.12 0.00 0.00 175.29 173.21 1rj5 s PHE 191 N 2.65 -0.13 -0.10 0.91 -0.12 -1.26 -0.04 117.98 119.89 1rj5 s PHE 191 Ca 0.26 -0.20 0.01 0.00 -0.05 0.00 0.00 56.93 56.95 1rj5 s PHE 191 Cb -0.15 0.31 -0.02 0.00 -0.63 0.00 0.00 43.02 42.53 1rj5 s PHE 191 CO 0.12 -0.81 -0.12 -0.06 -0.05 0.00 0.00 175.22 174.30 1rj5 s PHE 192 N -3.85 2.81 0.05 3.49 0.40 -0.57 -1.14 117.98 119.17 1rj5 s PHE 192 Ca 0.07 -0.38 0.07 0.00 -0.60 0.00 0.00 56.93 56.09 1rj5 s PHE 192 Cb 0.01 -1.77 -0.03 0.00 0.51 0.00 0.00 43.02 41.74 1rj5 s PHE 192 CO -0.07 -0.00 -0.19 0.50 0.70 0.00 0.00 175.22 176.15 1rj5 s ARG 193 N -0.14 2.01 -0.14 0.44 3.52 0.81 -1.64 118.95 123.82 1rj5 s ARG 193 Ca -0.00 -1.01 -0.32 0.00 -0.13 0.00 0.00 55.73 54.26 1rj5 s ARG 193 Cb -0.13 -2.15 0.13 0.00 -1.56 0.00 0.00 34.95 31.23 1rj5 s ARG 193 CO 0.03 0.53 1.09 1.52 -0.81 0.00 0.00 175.30 177.66 1rj5 s TYR 194 N -0.92 -0.23 -0.21 5.12 -0.85 -1.08 -1.44 117.35 117.74 1rj5 s TYR 194 Ca 0.14 0.22 -0.26 0.00 -0.52 0.00 0.00 57.07 56.65 1rj5 s TYR 194 Cb -0.10 0.51 -0.00 0.00 0.38 0.00 0.00 41.96 42.74 1rj5 s TYR 194 CO 0.05 -0.31 0.90 -0.80 -1.52 0.00 0.00 175.55 173.87 1rj5 s ASN 195 N -1.95 6.98 0.00 -0.18 0.01 -1.26 -1.50 114.94 117.03 1rj5 s ASN 195 Ca 0.06 1.21 0.00 0.00 -0.71 0.00 0.00 52.86 53.42 1rj5 s ASN 195 Cb -0.01 -2.48 0.00 0.00 0.41 0.00 0.00 41.25 39.17 1rj5 s ASN 195 CO -0.05 -0.52 0.00 0.61 -1.51 0.00 0.00 177.10 175.63 1rj5 n GLY 196 N 3.49 5.73 1.63 0.66 0.00 0.07 -4.85 105.19 111.93 1rj5 n GLY 196 Ca 0.07 -1.54 -0.10 0.00 0.00 0.00 0.00 46.02 44.45 1rj5 n GLY 196 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1rj5 n SER 197 N 0.00 -0.38 -4.81 1.61 3.41 -1.22 -3.02 113.62 109.22 1rj5 n SER 197 Ca 0.00 -2.10 -0.33 0.00 -0.26 0.00 0.00 58.87 56.17 1rj5 n SER 197 Cb 0.00 0.87 -0.04 0.00 -0.26 0.00 0.00 64.21 64.78 1rj5 n SER 197 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1rj5 s LEU 198 N 0.00 3.82 -0.30 1.04 1.43 -0.29 -4.51 118.68 119.87 1rj5 s LEU 198 Ca 0.20 1.79 0.11 0.00 -1.03 0.00 0.00 54.13 55.21 1rj5 s LEU 198 Cb 0.01 -4.54 0.78 0.00 0.03 0.00 0.00 46.19 42.47 1rj5 s LEU 198 CO 0.14 -0.65 1.80 0.35 0.23 0.00 0.00 176.35 178.22 1rj5 n THR 199 N -1.03 2.90 -3.87 5.49 -2.24 -1.26 -4.54 114.28 109.72 1rj5 n THR 199 Ca 0.08 -1.56 -0.10 0.00 -2.27 0.00 0.00 64.05 60.20 1rj5 n THR 199 Cb 0.53 -0.33 -0.08 0.00 -2.10 0.00 0.00 70.33 68.35 1rj5 n THR 199 CO 0.00 0.00 0.00 0.42 -0.57 0.00 0.00 175.07 174.92 1rj5 s THR 200 N -2.92 0.12 0.64 4.28 -4.23 -1.26 -4.65 115.64 107.61 1rj5 s THR 200 Ca 0.55 -1.00 -0.18 0.00 -1.18 0.00 0.00 61.69 59.88 1rj5 s THR 200 Cb 0.44 -0.98 -0.03 0.00 1.34 0.00 0.00 72.50 73.27 1rj5 s THR 200 CO 0.15 -0.55 1.04 -2.65 -0.54 0.00 0.00 174.62 172.06 1rj5 n PRO 201 N 0.59 0.85 0.00 3.99 -0.02 -1.26 -0.64 135.00 138.51 1rj5 n PRO 201 Ca -0.18 0.34 0.07 0.00 -2.02 0.00 0.00 63.50 61.71 1rj5 n PRO 201 Cb 0.59 -2.27 0.38 0.00 -0.02 0.00 0.00 33.50 32.19 1rj5 n PRO 201 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 1rj5 n PRO 202 N -1.43 0.22 -2.62 0.52 -0.02 -1.26 -4.97 135.00 125.45 1rj5 n PRO 202 Ca 0.14 0.14 -0.11 0.00 -2.02 0.00 0.00 63.50 61.65 1rj5 n PRO 202 Cb 0.48 -1.50 0.02 0.00 -0.02 0.00 0.00 33.50 32.48 1rj5 n PRO 202 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rj5 n TYR 204 N -3.87 1.86 -2.64 0.00 0.53 -1.26 -4.35 117.16 107.43 1rj5 n TYR 204 Ca -0.06 0.55 -0.42 0.00 -1.02 0.00 0.00 57.90 56.95 1rj5 n TYR 204 Cb 0.56 -2.34 0.01 0.00 -1.03 0.00 0.00 39.34 36.54 1rj5 n TYR 204 CO 0.00 0.00 0.00 1.04 -1.02 0.00 0.00 176.86 176.88 1rj5 n GLN 205 N 0.26 4.97 0.00 -0.72 6.02 -1.26 -1.14 117.38 125.50 1rj5 n GLN 205 Ca 0.07 -4.42 0.00 0.00 -0.01 0.00 0.00 57.00 52.64 1rj5 n GLN 205 Cb 0.38 -2.53 0.00 0.00 1.02 0.00 0.00 30.24 29.11 1rj5 n GLN 205 CO 0.00 0.00 0.00 -1.13 -1.01 0.00 0.00 177.06 174.92 1rj5 n SER 206 N 0.79 0.87 -4.71 1.08 3.41 -1.24 -4.64 113.62 109.17 1rj5 n SER 206 Ca 0.43 -0.94 -0.41 0.00 -0.26 0.00 0.00 58.87 57.69 1rj5 n SER 206 Cb 0.28 0.10 -0.04 0.00 -0.26 0.00 0.00 64.21 64.30 1rj5 n SER 206 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1rj5 s VAL 207 N -0.10 4.98 -0.75 -3.33 1.01 -1.17 -2.01 120.40 119.03 1rj5 s VAL 207 Ca 0.00 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 63.51 1rj5 s VAL 207 Cb 0.00 -4.13 0.20 0.00 0.00 0.00 0.00 36.38 32.45 1rj5 s VAL 207 CO 0.00 0.21 0.66 -0.22 0.00 0.00 0.00 175.10 175.75 1rj5 s LEU 208 N 0.95 6.33 0.57 3.92 2.96 -0.78 -0.75 118.68 131.88 1rj5 s LEU 208 Ca 0.42 -2.65 -0.18 0.00 -0.22 0.00 0.00 54.13 51.50 1rj5 s LEU 208 Cb -0.19 -2.12 -0.05 0.00 0.50 0.00 0.00 46.19 44.34 1rj5 s LEU 208 CO 0.21 -0.55 1.11 0.26 -1.32 0.00 0.00 176.35 176.06 1rj5 s TRP 209 N 0.23 2.73 -0.26 5.38 0.52 -0.56 -3.60 118.94 123.37 1rj5 s TRP 209 Ca 0.16 1.55 -0.03 0.00 0.02 0.00 0.00 56.10 57.80 1rj5 s TRP 209 Cb -0.14 -3.21 0.11 0.00 -1.15 0.00 0.00 33.47 29.08 1rj5 s TRP 209 CO -0.07 -1.47 0.20 0.99 0.02 0.00 0.00 176.95 176.62 1rj5 s THR 210 N -1.99 -0.23 -0.38 2.01 2.01 -1.05 -2.64 115.64 113.36 1rj5 s THR 210 Ca 0.70 -0.50 -0.13 0.00 0.31 0.00 0.00 61.69 62.07 1rj5 s THR 210 Cb -0.21 -0.90 0.01 0.00 0.01 0.00 0.00 72.50 71.41 1rj5 s THR 210 CO 0.30 -0.51 0.24 -0.69 -0.69 0.00 0.00 174.62 173.28 1rj5 s VAL 211 N 2.23 4.96 0.57 3.82 1.01 -0.65 -0.90 120.40 131.43 1rj5 s VAL 211 Ca 0.08 -0.63 -0.20 0.00 0.00 0.00 0.00 61.98 61.23 1rj5 s VAL 211 Cb -0.15 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.49 1rj5 s VAL 211 CO -0.29 -0.19 1.26 -0.36 0.00 0.00 0.00 175.10 175.51 1rj5 s PHE 212 N 1.64 2.38 0.02 5.22 0.40 -0.84 -1.51 117.98 125.29 1rj5 s PHE 212 Ca 0.04 1.47 -0.12 0.00 -0.60 0.00 0.00 56.93 57.73 1rj5 s PHE 212 Cb -0.19 -3.59 -0.33 0.00 0.51 0.00 0.00 43.02 39.42 1rj5 s PHE 212 CO 0.09 -2.42 0.96 -0.97 0.70 0.00 0.00 175.22 173.58 1rj5 h ASN 213 N 1.17 0.69 -4.14 1.36 -1.24 -0.80 -3.44 115.58 109.17 1rj5 h ASN 213 Ca -0.50 -0.79 -0.48 0.00 0.71 0.00 0.00 56.30 55.24 1rj5 h ASN 213 Cb 1.30 -0.22 0.03 0.00 0.73 0.00 0.00 38.32 40.16 1rj5 h ASN 213 CO 0.56 1.63 0.38 -0.13 -1.29 0.00 0.00 177.43 178.58 1rj5 s ARG 214 N -2.61 3.68 0.30 6.67 1.81 -1.26 -5.05 118.95 122.50 1rj5 s ARG 214 Ca -0.09 1.20 0.09 0.00 -1.72 0.00 0.00 55.73 55.21 1rj5 s ARG 214 Cb 0.05 -2.09 -0.04 0.00 -0.45 0.00 0.00 34.95 32.42 1rj5 s ARG 214 CO 0.91 -0.51 0.09 1.03 -0.68 0.00 0.00 175.30 176.14 1rj5 s ARG 215 N -3.72 2.40 -0.05 3.54 3.00 -1.26 -4.61 118.95 118.26 1rj5 s ARG 215 Ca 0.64 -1.44 -0.01 0.00 0.00 0.00 0.00 55.73 54.92 1rj5 s ARG 215 Cb -0.14 -2.21 -0.04 0.00 0.00 0.00 0.00 34.95 32.56 1rj5 s ARG 215 CO 0.28 0.25 0.03 0.00 0.00 0.00 0.00 175.30 175.86 1rj5 s ALA 216 N -2.35 3.40 -0.03 2.13 0.00 -0.58 -4.68 121.76 119.66 1rj5 s ALA 216 Ca 0.35 -0.85 0.07 0.00 0.00 0.00 0.00 51.96 51.52 1rj5 s ALA 216 Cb -0.05 -1.50 -0.02 0.00 0.00 0.00 0.00 23.12 21.55 1rj5 s ALA 216 CO 0.22 0.63 -0.23 -0.65 0.00 0.00 0.00 175.76 175.73 1rj5 s GLN 217 N -1.29 2.22 0.03 0.00 -0.21 -1.26 -0.57 119.66 118.59 1rj5 s GLN 217 Ca 0.17 -0.86 0.03 0.00 0.02 0.00 0.00 55.36 54.72 1rj5 s GLN 217 Cb -0.12 -2.13 -0.02 0.00 1.00 0.00 0.00 33.01 31.74 1rj5 s GLN 217 CO 0.07 0.58 -0.09 0.96 -2.12 0.00 0.00 175.29 174.69 1rj5 s ILE 218 N -0.64 0.71 0.91 1.08 -4.36 -0.69 -4.48 121.20 113.72 1rj5 s ILE 218 Ca 0.10 -0.90 -0.11 0.00 -0.26 0.00 0.00 60.65 59.48 1rj5 s ILE 218 Cb -0.10 -0.70 0.10 0.00 1.25 0.00 0.00 42.46 43.01 1rj5 s ILE 218 CO -0.01 -0.16 0.91 -1.54 0.24 0.00 0.00 174.94 174.38 1rj5 n SER 219 N 1.87 -0.35 0.23 4.36 3.41 -1.17 -1.48 113.62 120.49 1rj5 n SER 219 Ca -0.19 0.42 0.07 0.00 -0.26 0.00 0.00 58.87 58.91 1rj5 n SER 219 Cb 0.55 -1.39 0.54 0.00 -0.26 0.00 0.00 64.21 63.65 1rj5 n SER 219 CO 0.00 0.00 0.00 -0.03 -0.16 0.00 0.00 175.04 174.85 1rj5 h MET 220 N -1.61 0.00 -0.51 4.33 4.05 -1.90 -1.75 114.93 117.54 1rj5 h MET 220 Ca -0.44 0.00 -0.09 0.00 -0.28 0.00 0.00 59.70 58.89 1rj5 h MET 220 Cb 1.28 0.00 -0.02 0.00 -0.80 0.00 0.00 31.60 32.06 1rj5 h MET 220 CO 0.40 0.19 -0.03 0.78 0.23 0.00 0.00 176.91 178.48 1rj5 h GLY 221 N 0.71 0.99 1.10 1.39 0.00 -1.93 -2.50 103.07 102.82 1rj5 h GLY 221 Ca -0.00 -0.75 -0.06 0.00 0.00 0.00 0.00 47.33 46.51 1rj5 h GLY 221 CO 0.03 0.69 0.21 1.46 0.00 0.00 0.00 176.54 178.93 1rj5 h GLN 222 N 0.78 1.13 -0.65 4.80 4.20 -1.67 -2.39 115.11 121.30 1rj5 h GLN 222 Ca 0.14 -0.25 -0.05 0.00 0.06 0.00 0.00 58.65 58.55 1rj5 h GLN 222 Cb 0.57 -0.16 -0.03 0.00 0.30 0.00 0.00 27.48 28.16 1rj5 h GLN 222 CO 0.03 0.97 0.21 1.25 -0.67 0.00 0.00 178.83 180.61 1rj5 h LEU 223 N 1.08 0.92 -0.46 1.46 5.85 -1.27 -2.43 115.31 120.45 1rj5 h LEU 223 Ca 0.23 -0.16 -0.13 0.00 0.84 0.00 0.00 57.88 58.67 1rj5 h LEU 223 Cb 0.32 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.10 1rj5 h LEU 223 CO -0.01 0.86 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.41 1rj5 h GLU 224 N 0.96 0.97 0.00 1.25 5.08 -1.20 -1.39 114.58 120.24 1rj5 h GLU 224 Ca 0.21 -0.42 0.01 0.00 -1.00 0.00 0.00 59.36 58.17 1rj5 h GLU 224 Cb 0.27 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.47 1rj5 h GLU 224 CO -0.01 1.09 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.81 1rj5 h LYS 225 N 0.81 -0.10 0.00 2.33 3.64 -1.19 0.33 116.57 122.39 1rj5 h LYS 225 Ca 0.10 0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.46 1rj5 h LYS 225 Cb 0.79 0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 32.63 1rj5 h LYS 225 CO 0.07 -0.07 -0.15 1.25 -2.27 0.00 0.00 179.45 178.28 1rj5 h LEU 226 N -0.11 0.00 0.02 5.20 5.85 -1.38 -2.97 115.31 121.93 1rj5 h LEU 226 Ca 0.02 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.50 1rj5 h LEU 226 Cb 0.14 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 1rj5 h LEU 226 CO -0.06 0.15 -1.28 1.56 -0.34 0.00 0.00 178.44 178.46 1rj5 h GLN 227 N 0.00 0.05 -0.37 1.25 4.20 -0.56 -3.40 115.11 116.29 1rj5 h GLN 227 Ca -0.00 -0.09 -0.27 0.00 0.06 0.00 0.00 58.65 58.35 1rj5 h GLN 227 Cb 0.28 0.03 -0.24 0.00 0.30 0.00 0.00 27.48 27.85 1rj5 h GLN 227 CO 0.02 0.89 -0.70 -0.85 -0.67 0.00 0.00 178.83 177.51 1rj5 n GLU 228 N -3.29 2.45 -0.00 1.46 0.28 0.04 -4.67 120.64 116.91 1rj5 n GLU 228 Ca -0.07 -3.65 -0.01 0.00 -0.16 0.00 0.00 57.16 53.27 1rj5 n GLU 228 Cb 0.99 -1.85 -0.00 0.00 1.43 0.00 0.00 31.44 32.01 1rj5 n GLU 228 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1rj5 n THR 228 N -0.83 0.04 -3.12 3.84 -1.04 -1.13 -5.00 114.28 107.03 1rj5 n THR 228 Ca 0.29 -0.01 -0.33 0.00 -2.04 0.00 0.00 64.05 61.96 1rj5 n THR 228 Cb 0.85 -0.95 -0.06 0.00 -1.82 0.00 0.00 70.33 68.34 1rj5 n THR 228 CO 0.00 0.00 0.00 -0.76 -0.64 0.00 0.00 175.07 173.67 1rj5 s LEU 229 N -5.48 4.07 0.31 -4.42 1.43 -1.26 -4.72 118.68 108.62 1rj5 s LEU 229 Ca -0.01 1.30 0.10 0.00 -1.03 0.00 0.00 54.13 54.49 1rj5 s LEU 229 Cb 0.00 -4.08 -0.05 0.00 0.03 0.00 0.00 46.19 42.09 1rj5 s LEU 229 CO 0.01 -0.20 -0.02 -0.55 0.23 0.00 0.00 176.35 175.82 1rj5 s SER 230 N -2.25 4.19 0.00 2.29 0.15 0.18 -1.85 113.70 116.41 1rj5 s SER 230 Ca 0.54 -0.91 0.22 0.00 0.70 0.00 0.00 55.95 56.50 1rj5 s SER 230 Cb -0.10 -0.57 0.18 0.00 -1.71 0.00 0.00 66.02 63.81 1rj5 s SER 230 CO 0.17 -0.14 1.21 -1.54 1.20 0.00 0.00 173.24 174.14 1rj5 n SER 231 N -0.90 2.88 -4.85 5.45 3.41 -0.62 -3.80 113.62 115.19 1rj5 n SER 231 Ca -0.05 -1.94 -0.22 0.00 -0.26 0.00 0.00 58.87 56.41 1rj5 n SER 231 Cb 0.61 -0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 1rj5 n SER 231 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1rj5 s THR 232 N -1.87 4.38 0.17 6.66 -4.23 -1.26 -4.64 115.64 114.84 1rj5 s THR 232 Ca 0.26 -1.34 0.01 0.00 -1.18 0.00 0.00 61.69 59.45 1rj5 s THR 232 Cb 0.19 -3.42 -0.14 0.00 1.34 0.00 0.00 72.50 70.47 1rj5 s THR 232 CO 0.28 -0.31 1.39 -0.33 -0.54 0.00 0.00 174.62 175.11 1rj5 h GLU 233 N 1.39 0.25 -3.94 3.99 3.07 -1.92 0.54 114.58 117.96 1rj5 h GLU 233 Ca -0.48 -0.25 -0.21 0.00 -0.50 0.00 0.00 59.36 57.92 1rj5 h GLU 233 Cb 1.24 0.07 -0.07 0.00 -0.84 0.00 0.00 28.75 29.14 1rj5 h GLU 233 CO 0.60 0.95 -0.14 -1.83 -1.40 0.00 0.00 179.01 177.19 1rj5 s GLU 234 N -3.32 1.87 0.63 2.33 -1.05 -1.26 -4.58 118.70 113.33 1rj5 s GLU 234 Ca -0.04 -1.64 -0.15 0.00 -0.15 0.00 0.00 54.97 52.99 1rj5 s GLU 234 Cb 0.10 0.46 -0.02 0.00 -0.44 0.00 0.00 34.13 34.24 1rj5 s GLU 234 CO 0.83 -0.79 1.09 -0.51 0.95 0.00 0.00 175.26 176.83 1rj5 s ASP 236 N -3.18 5.38 0.26 0.83 1.01 -1.26 -4.28 116.67 115.43 1rj5 s ASP 236 Ca 0.28 1.93 -0.30 0.00 0.71 0.00 0.00 52.55 55.17 1rj5 s ASP 236 Cb -0.01 -2.54 -0.10 0.00 1.01 0.00 0.00 42.92 41.28 1rj5 s ASP 236 CO 0.17 -1.44 1.41 -2.84 0.21 0.00 0.00 175.17 172.68 1rj5 s PRO 237 N -4.07 4.29 0.81 8.23 0.02 -1.26 -5.16 135.00 137.86 1rj5 s PRO 237 Ca 0.66 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.83 1rj5 s PRO 237 Cb -0.19 -3.11 0.08 0.00 0.02 0.00 0.00 34.50 31.30 1rj5 s PRO 237 CO 0.39 -0.38 1.16 -1.54 -0.33 0.00 0.00 177.00 176.30 1rj5 s SER 238 N 0.24 4.50 -0.19 2.53 1.04 -1.26 -4.91 113.70 115.65 1rj5 s SER 238 Ca 0.58 0.88 -0.04 0.00 0.48 0.00 0.00 55.95 57.85 1rj5 s SER 238 Cb -0.41 -1.45 0.09 0.00 0.10 0.00 0.00 66.02 64.36 1rj5 s SER 238 CO 0.44 -1.92 0.28 -1.61 0.98 0.00 0.00 173.24 171.42 1rj5 s GLU 239 N -5.48 0.22 -0.15 4.02 2.02 -1.26 -5.02 118.70 113.04 1rj5 s GLU 239 Ca 0.62 0.51 -0.36 0.00 0.02 0.00 0.00 54.97 55.75 1rj5 s GLU 239 Cb -0.12 -0.57 -0.17 0.00 0.10 0.00 0.00 34.13 33.37 1rj5 s GLU 239 CO 0.50 -0.51 1.07 -2.30 0.02 0.00 0.00 175.26 174.05 1rj5 n PRO 240 N 5.34 0.00 -2.99 0.39 -0.02 -1.26 -1.59 135.00 134.87 1rj5 n PRO 240 Ca -0.05 0.00 -0.44 0.00 -2.02 0.00 0.00 63.50 60.98 1rj5 n PRO 240 Cb 0.50 -1.28 -0.02 0.00 -0.02 0.00 0.00 33.50 32.68 1rj5 n PRO 240 CO 0.00 0.00 0.00 -1.17 1.98 0.00 0.00 175.50 176.31 1rj5 s LEU 241 N 0.90 5.30 0.19 2.45 0.20 -0.77 -4.63 118.68 122.32 1rj5 s LEU 241 Ca 0.82 -2.30 0.00 0.00 0.69 0.00 0.00 54.13 53.34 1rj5 s LEU 241 Cb -1.15 -2.37 -0.04 0.00 -0.43 0.00 0.00 46.19 42.19 1rj5 s LEU 241 CO 0.56 -0.94 0.07 0.68 -0.29 0.00 0.00 176.35 176.43 1rj5 s VAL 242 N 2.11 0.36 -1.20 1.68 -7.23 -1.26 -4.85 120.40 110.01 1rj5 s VAL 242 Ca 0.32 -1.97 -0.04 0.00 -1.81 0.00 0.00 61.98 58.48 1rj5 s VAL 242 Cb -0.05 -2.32 0.00 0.00 0.56 0.00 0.00 36.38 34.57 1rj5 s VAL 242 CO -0.08 -0.25 0.57 0.00 -0.31 0.00 0.00 175.10 175.03 1rj5 n GLN 243 N -0.27 -4.34 -1.61 4.82 1.13 -1.07 -4.83 117.38 111.19 1rj5 n GLN 243 Ca -0.03 0.71 -0.31 0.00 -1.94 0.00 0.00 57.00 55.43 1rj5 n GLN 243 Cb 0.65 -5.17 -0.02 0.00 0.11 0.00 0.00 30.24 25.80 1rj5 n GLN 243 CO 0.00 0.00 0.00 0.27 -1.44 0.00 0.00 177.06 175.89 1rj5 n ASN 244 N -1.69 6.84 -4.09 1.08 6.94 -1.02 -4.81 115.26 118.52 1rj5 n ASN 244 Ca -0.07 -3.42 -0.20 0.00 -0.02 0.00 0.00 54.58 50.87 1rj5 n ASN 244 Cb 0.59 -1.17 -0.14 0.00 -2.36 0.00 0.00 39.78 36.69 1rj5 n ASN 244 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 1rj5 s TYR 245 N -2.53 1.10 0.31 -2.53 -0.85 -1.26 -4.40 117.35 107.19 1rj5 s TYR 245 Ca 0.56 -0.25 -0.18 0.00 -0.52 0.00 0.00 57.07 56.68 1rj5 s TYR 245 Cb 0.40 -0.69 -0.09 0.00 0.38 0.00 0.00 41.96 41.96 1rj5 s TYR 245 CO -0.28 -0.00 0.78 0.50 -1.52 0.00 0.00 175.55 175.02 1rj5 s ARG 246 N -0.57 4.15 0.47 -3.49 3.52 -1.26 -5.02 118.95 116.74 1rj5 s ARG 246 Ca 0.03 0.84 -0.19 0.00 -0.13 0.00 0.00 55.73 56.27 1rj5 s ARG 246 Cb -0.06 -2.56 -0.09 0.00 -1.56 0.00 0.00 34.95 30.68 1rj5 s ARG 246 CO 0.00 0.21 0.98 0.08 -0.81 0.00 0.00 175.30 175.77 1rj5 s VAL 247 N -1.85 4.26 0.31 7.11 1.01 -1.26 -4.59 120.40 125.39 1rj5 s VAL 247 Ca 0.52 1.31 -0.29 0.00 0.00 0.00 0.00 61.98 63.51 1rj5 s VAL 247 Cb -0.13 -3.58 -0.13 0.00 0.00 0.00 0.00 36.38 32.54 1rj5 s VAL 247 CO 0.18 -0.41 1.20 -2.65 0.00 0.00 0.00 175.10 173.43 1rj5 n PRO 248 N -1.03 1.82 -3.96 2.72 -0.02 -1.26 -4.35 135.00 128.92 1rj5 n PRO 248 Ca 0.07 0.64 -0.21 0.00 -2.02 0.00 0.00 63.50 61.98 1rj5 n PRO 248 Cb 0.54 -2.15 -0.04 0.00 -0.02 0.00 0.00 33.50 31.82 1rj5 n PRO 248 CO 0.00 0.00 0.00 -0.65 1.98 0.00 0.00 175.50 176.83 1rj5 s GLN 249 N -1.54 2.86 0.19 -0.52 -1.52 0.28 -4.93 119.66 114.49 1rj5 s GLN 249 Ca 0.59 -1.15 -0.33 0.00 -1.95 0.00 0.00 55.36 52.52 1rj5 s GLN 249 Cb -0.63 -2.54 -0.14 0.00 -0.22 0.00 0.00 33.01 29.48 1rj5 s GLN 249 CO 0.60 0.26 1.54 -2.30 -0.25 0.00 0.00 175.29 175.13 1rj5 n PRO 250 N -1.28 2.17 0.16 2.91 -0.02 -1.26 -4.54 135.00 133.14 1rj5 n PRO 250 Ca -0.05 0.78 0.03 0.00 -2.02 0.00 0.00 63.50 62.24 1rj5 n PRO 250 Cb 0.59 -2.52 0.23 0.00 -0.02 0.00 0.00 33.50 31.77 1rj5 n PRO 250 CO 0.00 0.00 0.00 1.25 1.98 0.00 0.00 175.50 178.73 1rj5 h LEU 251 N 5.42 0.00 -3.35 2.45 5.85 -1.91 -3.42 115.31 120.34 1rj5 h LEU 251 Ca -0.45 0.00 -0.58 0.00 0.84 0.00 0.00 57.88 57.69 1rj5 h LEU 251 Cb 1.26 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 42.24 1rj5 h LEU 251 CO 0.85 0.47 -0.99 0.59 -0.34 0.00 0.00 178.44 179.02 1rj5 n ASN 252 N -3.50 -3.01 -3.74 1.25 3.02 -1.26 -2.23 115.26 105.79 1rj5 n ASN 252 Ca 0.00 -1.25 -0.25 0.00 -0.03 0.00 0.00 54.58 53.05 1rj5 n ASN 252 Cb 0.59 -1.94 0.05 0.00 -0.61 0.00 0.00 39.78 37.86 1rj5 n ASN 252 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1rj5 n GLN 253 N -4.83 -6.08 -3.99 3.52 3.00 -1.26 -5.00 117.38 102.75 1rj5 n GLN 253 Ca -0.16 0.68 -0.36 0.00 -0.01 0.00 0.00 57.00 57.15 1rj5 n GLN 253 Cb 0.60 -5.55 -0.07 0.00 0.00 0.00 0.00 30.24 25.23 1rj5 n GLN 253 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 1rj5 s ARG 254 N -6.28 3.33 -0.14 -1.09 0.52 -0.95 -5.08 118.95 109.27 1rj5 s ARG 254 Ca 0.42 -0.22 -0.24 0.00 -0.52 0.00 0.00 55.73 55.17 1rj5 s ARG 254 Cb -0.20 -3.09 -0.02 0.00 0.52 0.00 0.00 34.95 32.16 1rj5 s ARG 254 CO 0.79 0.75 0.76 0.99 0.02 0.00 0.00 175.30 178.62 1rj5 s THR 255 N -1.04 4.95 -0.38 0.02 2.01 -1.26 -5.02 115.64 114.91 1rj5 s THR 255 Ca 0.16 1.51 -0.09 0.00 0.31 0.00 0.00 61.69 63.58 1rj5 s THR 255 Cb -0.12 -4.08 0.05 0.00 0.01 0.00 0.00 72.50 68.36 1rj5 s THR 255 CO 0.06 0.10 0.20 -0.63 -0.69 0.00 0.00 174.62 173.66 1rj5 s ILE 256 N 1.73 4.26 0.48 1.82 1.01 -1.26 -4.71 121.20 124.54 1rj5 s ILE 256 Ca 0.37 -1.10 -0.06 0.00 0.00 0.00 0.00 60.65 59.85 1rj5 s ILE 256 Cb -0.17 -3.46 -0.04 0.00 0.01 0.00 0.00 42.46 38.80 1rj5 s ILE 256 CO 0.14 -0.31 0.80 -0.36 0.00 0.00 0.00 174.94 175.21 1rj5 s PHE 257 N 1.47 3.56 -0.00 3.97 0.40 -0.52 -1.63 117.98 125.23 1rj5 s PHE 257 Ca 0.01 0.87 -0.00 0.00 -0.60 0.00 0.00 56.93 57.20 1rj5 s PHE 257 Cb -0.20 -2.34 -0.00 0.00 0.51 0.00 0.00 43.02 40.98 1rj5 s PHE 257 CO 0.04 -0.28 0.01 0.00 0.70 0.00 0.00 175.22 175.69 1rj5 s ALA 258 N -2.73 -0.02 0.06 5.36 0.00 -0.94 -0.14 121.76 123.35 1rj5 s ALA 258 Ca 0.48 -0.02 0.33 0.00 0.00 0.00 0.00 51.96 52.75 1rj5 s ALA 258 Cb -0.10 -0.00 1.37 0.00 0.00 0.00 0.00 23.12 24.38 1rj5 s ALA 258 CO 0.44 -0.02 1.97 0.66 0.00 0.00 0.00 175.76 178.81 1rj5 h SER 259 N 5.97 0.00 0.00 0.00 4.64 -1.39 -1.60 113.55 121.16 1rj5 h SER 259 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1rj5 h SER 259 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1rj5 h SER 259 CO 0.49 0.00 0.00 2.22 -0.87 0.00 0.00 176.83 178.67