#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1jy5 s LYS 3 N 0.00 4.26 0.55 -1.40 2.20 -1.26 -4.94 119.74 119.15 1jy5 s LYS 3 Ca 0.00 2.26 -0.21 0.00 -0.36 0.00 0.00 55.97 57.65 1jy5 s LYS 3 Cb 0.00 -3.18 -0.05 0.00 -1.51 0.00 0.00 37.83 33.09 1jy5 s LYS 3 CO 0.00 -0.52 1.29 -1.91 -0.36 0.00 0.00 175.35 173.86 1jy5 n GLU 4 N 3.70 1.55 -1.02 4.03 2.13 -1.26 -4.95 120.64 124.82 1jy5 n GLU 4 Ca 0.12 0.57 -0.31 0.00 0.66 0.00 0.00 57.16 58.21 1jy5 n GLU 4 Cb 0.40 -2.50 0.13 0.00 0.27 0.00 0.00 31.44 29.74 1jy5 n GLU 4 CO 0.00 0.00 0.00 -0.59 -0.41 0.00 0.00 177.13 176.13 1jy5 s PHE 5 N -1.32 2.14 -0.19 4.31 -0.12 -1.26 -5.00 117.98 116.54 1jy5 s PHE 5 Ca 0.72 1.57 -0.06 0.00 -0.05 0.00 0.00 56.93 59.12 1jy5 s PHE 5 Cb -0.42 -3.17 -0.21 0.00 -0.63 0.00 0.00 43.02 38.59 1jy5 s PHE 5 CO 0.49 -2.35 0.07 -0.25 -0.05 0.00 0.00 175.22 173.13 1jy5 n ASP 6 N -3.90 2.03 -3.92 1.98 10.43 0.76 -4.96 116.55 118.97 1jy5 n ASP 6 Ca 0.09 0.11 -0.08 0.00 2.57 0.00 0.00 54.79 57.48 1jy5 n ASP 6 Cb 0.53 -0.71 -0.04 0.00 1.84 0.00 0.00 41.12 42.74 1jy5 n ASP 6 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1jy5 s TYR 7 N -2.52 0.11 -0.10 1.24 -0.85 -0.86 -4.47 117.35 109.90 1jy5 s TYR 7 Ca -0.29 -0.50 -0.06 0.00 -0.52 0.00 0.00 57.07 55.70 1jy5 s TYR 7 Cb 0.08 0.39 -0.04 0.00 0.38 0.00 0.00 41.96 42.78 1jy5 s TYR 7 CO 0.67 -1.07 0.13 -0.06 -1.52 0.00 0.00 175.55 173.70 1jy5 s PHE 8 N -3.97 3.55 -0.21 -3.49 0.40 0.75 -0.18 117.98 114.84 1jy5 s PHE 8 Ca 0.17 0.47 0.01 0.00 -0.60 0.00 0.00 56.93 56.98 1jy5 s PHE 8 Cb -0.03 -1.91 0.03 0.00 0.51 0.00 0.00 43.02 41.63 1jy5 s PHE 8 CO 0.07 0.70 -0.15 0.99 0.70 0.00 0.00 175.22 177.53 1jy5 s THR 9 N -1.07 2.27 -0.37 0.64 2.01 0.04 -1.07 115.64 118.08 1jy5 s THR 9 Ca 0.17 -1.08 -0.16 0.00 0.31 0.00 0.00 61.69 60.93 1jy5 s THR 9 Cb -0.12 -2.07 0.00 0.00 0.01 0.00 0.00 72.50 70.32 1jy5 s THR 9 CO 0.06 0.36 0.38 -0.22 -0.69 0.00 0.00 174.62 174.51 1jy5 s LEU 10 N 1.26 4.63 -0.19 4.42 2.96 0.24 0.06 118.68 132.07 1jy5 s LEU 10 Ca 0.01 -0.43 -0.09 0.00 -0.22 0.00 0.00 54.13 53.41 1jy5 s LEU 10 Cb -0.15 -2.34 -0.05 0.00 0.50 0.00 0.00 46.19 44.16 1jy5 s LEU 10 CO -0.10 -0.42 0.10 0.00 -1.32 0.00 0.00 176.35 174.61 1jy5 s ALA 11 N 2.02 3.58 -0.06 5.97 0.00 0.31 -1.91 121.76 131.67 1jy5 s ALA 11 Ca 0.11 -0.71 0.05 0.00 0.00 0.00 0.00 51.96 51.41 1jy5 s ALA 11 Cb -0.17 -2.04 -0.02 0.00 0.00 0.00 0.00 23.12 20.89 1jy5 s ALA 11 CO 0.12 0.20 -0.20 -0.51 0.00 0.00 0.00 175.76 175.37 1jy5 s LEU 12 N 0.26 2.38 -0.12 0.00 1.43 -0.06 -0.20 118.68 122.38 1jy5 s LEU 12 Ca 0.06 -0.37 -0.03 0.00 -1.03 0.00 0.00 54.13 52.76 1jy5 s LEU 12 Cb -0.12 -1.46 -0.03 0.00 0.03 0.00 0.00 46.19 44.61 1jy5 s LEU 12 CO -0.01 0.28 0.01 -0.89 0.23 0.00 0.00 176.35 175.98 1jy5 s THR 13 N -0.36 4.41 -0.57 5.49 2.01 0.65 -1.00 115.64 126.27 1jy5 s THR 13 Ca 0.03 -0.20 -0.24 0.00 0.31 0.00 0.00 61.69 61.59 1jy5 s THR 13 Cb -0.12 -2.89 0.05 0.00 0.01 0.00 0.00 72.50 69.54 1jy5 s THR 13 CO 0.02 0.56 0.95 0.86 -0.69 0.00 0.00 174.62 176.33 1jy5 s TRP 14 N -0.48 2.76 0.26 4.92 -0.11 -0.37 -0.54 118.94 125.38 1jy5 s TRP 14 Ca 0.09 -0.09 -0.04 0.00 1.22 0.00 0.00 56.10 57.28 1jy5 s TRP 14 Cb -0.12 -4.12 0.53 0.00 -1.50 0.00 0.00 33.47 28.26 1jy5 s TRP 14 CO 0.02 -1.41 1.65 0.66 -4.62 0.00 0.00 176.95 173.25 1jy5 h SER 15 N 9.37 -0.15 -0.80 5.86 4.64 -1.58 -0.84 113.55 130.05 1jy5 h SER 15 Ca -0.27 0.18 0.09 0.00 -0.47 0.00 0.00 61.79 61.32 1jy5 h SER 15 Cb 1.07 0.28 -0.07 0.00 -0.31 0.00 0.00 62.40 63.38 1jy5 h SER 15 CO 1.11 -0.14 0.45 1.23 -0.87 0.00 0.00 176.83 178.62 1jy5 h GLY 16 N 0.18 1.22 1.82 -0.77 0.00 -1.79 -1.87 103.07 101.86 1jy5 h GLY 16 Ca 0.46 -0.31 -0.19 0.00 0.00 0.00 0.00 47.33 47.29 1jy5 h GLY 16 CO -0.62 0.14 -0.87 -0.84 0.00 0.00 0.00 176.54 174.35 1jy5 h THR 17 N 0.78 1.51 0.00 4.70 2.02 -1.38 -3.23 112.91 117.32 1jy5 h THR 17 Ca 0.38 -2.66 -0.09 0.00 0.77 0.00 0.00 66.41 64.81 1jy5 h THR 17 Cb 0.32 2.48 -0.01 0.00 -1.74 0.00 0.00 68.15 69.19 1jy5 h THR 17 CO -0.23 0.77 -0.41 -0.08 0.37 0.00 0.00 175.52 175.94 1jy5 h GLU 18 N 0.09 0.00 -3.86 6.66 4.57 -0.76 -3.37 114.58 117.91 1jy5 h GLU 18 Ca -0.04 0.00 -0.79 0.00 -1.18 0.00 0.00 59.36 57.36 1jy5 h GLU 18 Cb 1.50 0.00 -0.26 0.00 -0.16 0.00 0.00 28.75 29.83 1jy5 h GLU 18 CO 0.13 0.41 0.17 0.00 -1.18 0.00 0.00 179.01 178.53 1jy5 n LEU 20 N 3.96 0.52 -3.65 0.00 4.77 -1.26 -4.93 117.00 116.41 1jy5 n LEU 20 Ca 0.15 -1.66 -0.03 0.00 -0.03 0.00 0.00 56.01 54.44 1jy5 n LEU 20 Cb 0.46 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.54 1jy5 n LEU 20 CO 0.35 0.51 0.83 -0.55 -1.33 0.00 0.00 177.39 177.20 1jy5 s SER 25 N -1.55 -0.18 0.01 -1.43 0.15 -1.26 -5.20 113.70 104.24 1jy5 s SER 25 Ca 0.20 -0.21 -0.28 0.00 0.70 0.00 0.00 55.95 56.36 1jy5 s SER 25 Cb 0.23 0.35 0.10 0.00 -1.71 0.00 0.00 66.02 64.99 1jy5 s SER 25 CO -0.10 -0.62 0.85 0.00 1.20 0.00 0.00 173.24 174.56 1jy5 h PRO 27 N 2.05 0.65 -0.35 0.00 0.11 -2.02 -2.68 132.00 129.76 1jy5 h PRO 27 Ca -0.24 -0.04 0.07 0.00 0.11 0.00 0.00 66.00 65.90 1jy5 h PRO 27 Cb 1.25 -0.15 -0.02 0.00 0.11 0.00 0.00 31.00 32.19 1jy5 h PRO 27 CO 0.32 0.43 0.24 1.15 -0.21 0.00 0.00 178.00 179.93 1jy5 h THR 28 N 0.67 0.91 -2.22 -1.15 2.02 -1.97 -3.43 112.91 107.74 1jy5 h THR 28 Ca 0.20 -0.06 -0.59 0.00 0.77 0.00 0.00 66.41 66.74 1jy5 h THR 28 Cb -0.02 0.73 0.04 0.00 -1.74 0.00 0.00 68.15 67.15 1jy5 h THR 28 CO -0.07 0.03 0.97 -3.20 0.37 0.00 0.00 175.52 173.62 1jy5 n ASN 29 N -4.47 3.40 0.23 4.18 2.85 -1.01 -4.72 115.26 115.71 1jy5 n ASN 29 Ca 0.04 1.02 0.17 0.00 -0.11 0.00 0.00 54.58 55.71 1jy5 n ASN 29 Cb 0.30 -1.43 0.86 0.00 1.24 0.00 0.00 39.78 40.76 1jy5 n ASN 29 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1jy5 h ALA 30 N 7.67 1.70 0.00 5.20 0.00 -1.27 -0.41 119.26 132.15 1jy5 h ALA 30 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.44 1jy5 h ALA 30 Cb 1.26 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.06 1jy5 h ALA 30 CO 0.92 -0.26 0.00 0.00 0.00 0.00 0.00 179.25 179.91 1jy5 n SER 32 N -3.00 2.86 -3.97 0.00 2.88 -0.16 -4.94 113.62 107.28 1jy5 n SER 32 Ca -0.01 -3.52 -0.28 0.00 -1.33 0.00 0.00 58.87 53.74 1jy5 n SER 32 Cb 0.21 -0.60 -0.17 0.00 -0.75 0.00 0.00 64.21 62.91 1jy5 n SER 32 CO 0.00 0.00 0.00 -0.13 -1.23 0.00 0.00 175.04 173.68 1jy5 s ARG 33 N -3.11 1.83 0.44 -1.46 0.52 -0.73 -4.96 118.95 111.48 1jy5 s ARG 33 Ca 0.43 -0.39 0.19 0.00 -0.52 0.00 0.00 55.73 55.45 1jy5 s ARG 33 Cb 0.38 -1.73 1.03 0.00 0.52 0.00 0.00 34.95 35.14 1jy5 s ARG 33 CO 0.02 -0.20 1.93 1.03 0.02 0.00 0.00 175.30 178.10 1jy5 h SER 34 N 7.90 0.00 -1.00 0.23 0.87 -1.92 -2.88 113.55 116.75 1jy5 h SER 34 Ca -0.32 0.00 0.19 0.00 -1.23 0.00 0.00 61.79 60.42 1jy5 h SER 34 Cb 1.14 0.00 -0.10 0.00 -0.44 0.00 0.00 62.40 63.00 1jy5 h SER 34 CO 0.46 0.25 0.61 -0.08 -0.53 0.00 0.00 176.83 177.54 1jy5 h GLU 35 N 0.00 0.76 -5.57 2.24 4.81 -1.94 -3.37 114.58 111.49 1jy5 h GLU 35 Ca -0.00 -0.05 -0.60 0.00 -0.13 0.00 0.00 59.36 58.58 1jy5 h GLU 35 Cb 0.52 -0.17 -0.10 0.00 0.63 0.00 0.00 28.75 29.63 1jy5 h GLU 35 CO 0.03 0.50 0.05 0.08 -0.73 0.00 0.00 179.01 178.94 1jy5 s VAL 36 N -5.86 5.06 0.37 0.32 1.01 -1.09 -5.00 120.40 115.21 1jy5 s VAL 36 Ca -0.11 1.06 0.03 0.00 0.00 0.00 0.00 61.98 62.96 1jy5 s VAL 36 Cb 0.25 -3.89 0.03 0.00 0.00 0.00 0.00 36.38 32.77 1jy5 s VAL 36 CO 0.80 0.13 0.25 1.21 0.00 0.00 0.00 175.10 177.49 1jy5 n GLU 37 N 5.03 0.97 -2.04 2.72 2.13 -1.26 -4.59 120.64 123.60 1jy5 n GLU 37 Ca -0.03 -2.32 -0.42 0.00 0.66 0.00 0.00 57.16 55.05 1jy5 n GLU 37 Cb 0.50 0.28 -0.03 0.00 0.27 0.00 0.00 31.44 32.46 1jy5 n GLU 37 CO 0.00 0.00 0.00 0.95 -0.41 0.00 0.00 177.13 177.67 1jy5 s THR 38 N -1.86 3.03 -5.00 6.31 -4.23 -1.26 -4.82 115.64 107.81 1jy5 s THR 38 Ca 0.19 0.68 0.00 0.00 -1.18 0.00 0.00 61.69 61.38 1jy5 s THR 38 Cb -0.02 -3.44 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1jy5 s THR 38 CO 0.12 0.04 0.00 0.61 -0.54 0.00 0.00 174.62 174.85 1jy5 n GLY 39 N 3.70 -0.20 3.79 3.99 0.00 -1.26 -4.99 105.19 110.22 1jy5 n GLY 39 Ca 0.13 -1.63 -0.39 0.00 0.00 0.00 0.00 46.02 44.14 1jy5 n GLY 39 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1jy5 s PHE 40 N -2.22 3.82 0.28 1.61 0.40 -1.26 -1.49 117.98 119.13 1jy5 s PHE 40 Ca 0.00 1.41 0.06 0.00 -0.60 0.00 0.00 56.93 57.80 1jy5 s PHE 40 Cb 0.00 -2.63 -0.06 0.00 0.51 0.00 0.00 43.02 40.85 1jy5 s PHE 40 CO 0.00 0.52 -0.05 0.95 0.70 0.00 0.00 175.22 177.34 1jy5 s THR 41 N -0.95 1.59 -0.08 0.64 -4.23 0.30 -4.92 115.64 107.99 1jy5 s THR 41 Ca 0.32 -2.11 -0.30 0.00 -1.18 0.00 0.00 61.69 58.42 1jy5 s THR 41 Cb -0.21 -2.47 -0.03 0.00 1.34 0.00 0.00 72.50 71.13 1jy5 s THR 41 CO 0.22 -0.28 1.23 -0.63 -0.54 0.00 0.00 174.62 174.62 1jy5 s ILE 42 N -3.05 4.21 -0.15 2.99 1.01 0.16 -0.25 121.20 126.12 1jy5 s ILE 42 Ca 0.30 1.53 -0.11 0.00 0.00 0.00 0.00 60.65 62.37 1jy5 s ILE 42 Cb 0.04 -3.98 -0.24 0.00 0.01 0.00 0.00 42.46 38.29 1jy5 s ILE 42 CO 0.12 -0.03 0.31 1.17 0.00 0.00 0.00 174.94 176.50 1jy5 n LYS 43 N 5.57 0.71 0.00 2.79 3.00 0.72 -4.63 118.16 126.31 1jy5 n LYS 43 Ca 0.12 0.34 0.00 0.00 -0.00 0.00 0.00 58.31 58.77 1jy5 n LYS 43 Cb 0.46 -1.71 0.00 0.00 0.00 0.00 0.00 35.03 33.77 1jy5 n LYS 43 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1jy5 n GLY 44 N 1.84 1.15 2.97 3.14 0.00 -0.92 -4.98 105.19 108.39 1jy5 n GLY 44 Ca -0.33 -0.94 -0.31 0.00 0.00 0.00 0.00 46.02 44.45 1jy5 n GLY 44 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1jy5 s LEU 45 N 0.00 2.63 -0.19 0.99 2.96 -1.26 -0.53 118.68 123.28 1jy5 s LEU 45 Ca 0.00 -1.14 -0.03 0.00 -0.22 0.00 0.00 54.13 52.73 1jy5 s LEU 45 Cb 0.00 -1.24 -0.02 0.00 0.50 0.00 0.00 46.19 45.43 1jy5 s LEU 45 CO 0.00 -0.21 -0.05 0.26 -1.32 0.00 0.00 176.35 175.03 1jy5 s TRP 46 N 1.36 2.95 -0.03 5.38 0.51 0.11 -4.67 118.94 124.55 1jy5 s TRP 46 Ca -0.05 -0.68 -0.30 0.00 -2.12 0.00 0.00 56.10 52.95 1jy5 s TRP 46 Cb -0.18 -2.02 -0.04 0.00 -0.81 0.00 0.00 33.47 30.42 1jy5 s TRP 46 CO -0.06 -0.34 1.16 -2.14 -0.51 0.00 0.00 176.95 175.06 1jy5 s PRO 47 N 0.97 4.40 0.25 4.98 0.02 -1.26 -0.78 135.00 143.57 1jy5 s PRO 47 Ca -0.00 1.64 0.05 0.00 0.02 0.00 0.00 61.00 62.71 1jy5 s PRO 47 Cb -0.15 -3.50 -0.05 0.00 0.02 0.00 0.00 34.50 30.82 1jy5 s PRO 47 CO 0.01 -0.35 -0.04 -0.51 -0.33 0.00 0.00 177.00 175.78 1jy5 s ASP 48 N 1.29 2.31 0.08 2.53 1.01 0.74 -4.21 116.67 120.43 1jy5 s ASP 48 Ca 0.55 -1.20 0.03 0.00 0.71 0.00 0.00 52.55 52.65 1jy5 s ASP 48 Cb -0.25 -0.08 -0.04 0.00 1.01 0.00 0.00 42.92 43.56 1jy5 s ASP 48 CO 0.24 -0.42 0.07 -0.31 0.21 0.00 0.00 175.17 174.96 1jy5 s TYR 49 N -3.21 3.16 0.51 4.23 4.12 -0.49 -0.17 117.35 125.50 1jy5 s TYR 49 Ca 0.28 0.06 0.21 0.00 0.02 0.00 0.00 57.07 57.65 1jy5 s TYR 49 Cb 0.05 -1.61 1.38 0.00 -1.52 0.00 0.00 41.96 40.25 1jy5 s TYR 49 CO 0.10 0.52 2.13 -0.44 0.02 0.00 0.00 175.55 177.88 1jy5 h ASP 50 N 3.34 0.00 0.00 2.29 3.32 -1.95 -2.43 116.42 121.00 1jy5 h ASP 50 Ca -0.47 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.58 1jy5 h ASP 50 Cb 1.16 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.71 1jy5 h ASP 50 CO 0.65 0.06 0.00 -0.90 -1.72 0.00 0.00 179.24 177.33 1jy5 n ASP 51 N -4.18 0.00 0.00 6.45 3.85 -1.26 -4.85 116.55 116.56 1jy5 n ASP 51 Ca -0.03 -1.15 0.00 0.00 -0.71 0.00 0.00 54.79 52.90 1jy5 n ASP 51 Cb 0.14 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 39.91 1jy5 n ASP 51 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1jy5 n GLY 52 N 0.49 0.79 1.60 6.12 0.00 -0.91 -5.05 105.19 108.23 1jy5 n GLY 52 Ca 0.11 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.04 1jy5 n GLY 52 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1jy5 n THR 53 N -2.00 0.00 -3.47 2.61 -2.24 -1.26 -4.95 114.28 102.97 1jy5 n THR 53 Ca 0.00 -0.84 -0.12 0.00 -2.27 0.00 0.00 64.05 60.82 1jy5 n THR 53 Cb 0.00 -0.61 -0.03 0.00 -2.10 0.00 0.00 70.33 67.59 1jy5 n THR 53 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1jy5 s TRP 54 N -0.72 -0.50 0.42 4.78 -2.14 -1.26 -1.40 118.94 118.12 1jy5 s TRP 54 Ca 0.20 0.48 -0.22 0.00 2.66 0.00 0.00 56.10 59.22 1jy5 s TRP 54 Cb -0.02 0.52 -0.10 0.00 -3.10 0.00 0.00 33.47 30.77 1jy5 s TRP 54 CO 0.13 -0.68 0.99 -1.25 -2.66 0.00 0.00 176.95 173.48 1jy5 s PRO 55 N -2.88 4.16 -0.04 3.25 0.04 -1.26 -4.96 135.00 133.30 1jy5 s PRO 55 Ca -0.00 1.29 -0.12 0.00 0.04 0.00 0.00 61.00 62.20 1jy5 s PRO 55 Cb -0.01 -2.32 0.02 0.00 0.04 0.00 0.00 34.50 32.24 1jy5 s PRO 55 CO -0.06 -0.11 0.27 -1.54 0.04 0.00 0.00 177.00 175.60 1jy5 s SER 56 N -1.93 -0.19 -1.24 6.66 1.04 -1.26 -4.86 113.70 111.92 1jy5 s SER 56 Ca 0.61 0.19 -0.06 0.00 0.48 0.00 0.00 55.95 57.17 1jy5 s SER 56 Cb -0.15 0.38 -0.01 0.00 0.10 0.00 0.00 66.02 66.34 1jy5 s SER 56 CO 0.19 -0.33 0.73 0.00 0.98 0.00 0.00 173.24 174.82 1jy5 s GLU 59 N -5.55 2.01 0.00 0.00 0.41 -1.26 -4.80 118.70 109.51 1jy5 s GLU 59 Ca 0.62 1.47 0.00 0.00 -0.41 0.00 0.00 54.97 56.65 1jy5 s GLU 59 Cb -0.11 -1.85 0.00 0.00 -1.78 0.00 0.00 34.13 30.39 1jy5 s GLU 59 CO 0.49 -1.87 0.00 0.41 -0.49 0.00 0.00 175.26 173.80 1jy5 n GLY 60 N -0.26 3.11 3.76 -1.39 0.00 -1.26 -4.70 105.19 104.44 1jy5 n GLY 60 Ca 0.11 -1.41 -0.38 0.00 0.00 0.00 0.00 46.02 44.34 1jy5 n GLY 60 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1jy5 s ALA 61 N -2.00 2.95 0.79 4.61 0.00 -1.26 -4.98 121.76 121.87 1jy5 s ALA 61 Ca 0.00 1.18 -0.11 0.00 0.00 0.00 0.00 51.96 53.03 1jy5 s ALA 61 Cb 0.00 -3.49 0.07 0.00 0.00 0.00 0.00 23.12 19.70 1jy5 s ALA 61 CO 0.00 -1.04 1.12 -1.59 0.00 0.00 0.00 175.76 174.25 1jy5 s LYS 62 N -2.73 1.97 0.24 0.00 0.00 -1.26 -4.91 119.74 113.06 1jy5 s LYS 62 Ca 0.66 1.36 -0.31 0.00 0.00 0.00 0.00 55.97 57.68 1jy5 s LYS 62 Cb -0.36 -1.85 -0.14 0.00 0.00 0.00 0.00 37.83 35.48 1jy5 s LYS 62 CO 0.43 -1.89 1.36 0.98 0.00 0.00 0.00 175.35 176.24 1jy5 n TYR 63 N -3.50 2.05 -3.48 1.78 9.36 -1.26 -4.97 117.16 117.14 1jy5 n TYR 63 Ca 0.10 0.47 -0.24 0.00 3.32 0.00 0.00 57.90 61.56 1jy5 n TYR 63 Cb 0.52 -2.43 -0.13 0.00 -0.63 0.00 0.00 39.34 36.68 1jy5 n TYR 63 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 1jy5 s ASP 64 N 0.21 2.68 0.57 2.98 3.68 -1.26 -5.01 116.67 120.52 1jy5 s ASP 64 Ca 0.68 -1.04 0.29 0.00 2.13 0.00 0.00 52.55 54.61 1jy5 s ASP 64 Cb -0.67 0.04 1.47 0.00 -1.45 0.00 0.00 42.92 42.31 1jy5 s ASP 64 CO 0.51 -0.42 1.90 0.06 0.13 0.00 0.00 175.17 177.35 1jy5 h GLN 65 N 8.34 0.00 -0.94 4.34 -0.00 -1.98 -0.08 115.11 124.79 1jy5 h GLN 65 Ca -0.17 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.48 1jy5 h GLN 65 Cb 1.04 0.00 -0.05 0.00 -0.00 0.00 0.00 27.48 28.48 1jy5 h GLN 65 CO 0.39 0.00 0.59 -0.91 -0.00 0.00 0.00 178.83 178.90 1jy5 h ASN 66 N 0.00 1.11 0.17 0.06 2.35 -1.99 -1.02 115.58 116.25 1jy5 h ASN 66 Ca 0.26 -0.05 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 1jy5 h ASN 66 Cb 1.28 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 39.37 1jy5 h ASN 66 CO -0.00 0.83 -0.06 -0.33 -1.65 0.00 0.00 177.43 176.22 1jy5 h GLU 67 N 1.29 0.00 0.00 0.81 4.39 -1.44 -2.94 114.58 116.68 1jy5 h GLU 67 Ca 0.34 0.00 0.00 0.00 0.34 0.00 0.00 59.36 60.04 1jy5 h GLU 67 Cb -0.10 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.55 1jy5 h GLU 67 CO -0.07 0.06 -0.04 0.44 -1.16 0.00 0.00 179.01 178.24 1jy5 n ILE 68 N -3.74 1.55 -0.35 3.13 -5.35 -0.91 -4.54 119.36 109.15 1jy5 n ILE 68 Ca -0.02 -1.83 0.11 0.00 -0.27 0.00 0.00 62.75 60.73 1jy5 n ILE 68 Cb 0.15 -0.03 0.29 0.00 -1.74 0.00 0.00 39.64 38.32 1jy5 n ILE 68 CO 0.00 0.00 0.00 0.77 -1.76 0.00 0.00 176.55 175.56 1jy5 h SER 69 N 0.00 0.84 0.53 7.28 4.64 -1.02 0.14 113.55 125.97 1jy5 h SER 69 Ca 0.00 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.40 1jy5 h SER 69 Cb 0.93 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 62.94 1jy5 h SER 69 CO 0.00 0.36 0.00 2.30 -0.87 0.00 0.00 176.83 178.62 1jy5 n ILE 70 N -4.70 1.00 1.02 0.95 -5.35 -1.26 -1.53 119.36 109.50 1jy5 n ILE 70 Ca 0.21 0.27 0.12 0.00 -0.27 0.00 0.00 62.75 63.08 1jy5 n ILE 70 Cb 0.49 -1.09 0.08 0.00 -1.74 0.00 0.00 39.64 37.38 1jy5 n ILE 70 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 1jy5 n LEU 71 N -1.73 2.55 -0.21 7.28 4.77 0.48 -4.59 117.00 125.55 1jy5 n LEU 71 Ca 0.03 -0.88 0.02 0.00 -0.03 0.00 0.00 56.01 55.15 1jy5 n LEU 71 Cb 0.18 -0.00 0.12 0.00 -2.33 0.00 0.00 43.42 41.39 1jy5 n LEU 71 CO 0.15 0.44 0.88 0.77 -1.33 0.00 0.00 177.39 178.30 1jy5 h SER 72 N 3.73 -0.12 -0.12 -1.43 4.64 -1.07 0.74 113.55 119.92 1jy5 h SER 72 Ca 0.00 0.14 -0.00 0.00 -0.47 0.00 0.00 61.79 61.46 1jy5 h SER 72 Cb 0.88 0.22 -0.01 0.00 -0.31 0.00 0.00 62.40 63.18 1jy5 h SER 72 CO 0.00 -0.06 0.07 0.78 -0.87 0.00 0.00 176.83 176.75 1jy5 h ASN 73 N 0.19 0.15 -0.58 4.97 2.35 -1.81 -0.70 115.58 120.16 1jy5 h ASN 73 Ca 0.34 -0.05 -0.08 0.00 -0.55 0.00 0.00 56.30 55.96 1jy5 h ASN 73 Cb 0.55 -0.04 -0.02 0.00 0.05 0.00 0.00 38.32 38.86 1jy5 h ASN 73 CO -0.49 0.16 0.07 0.44 -1.65 0.00 0.00 177.43 175.96 1jy5 h ASP 74 N 0.13 0.97 0.11 5.81 3.32 -1.73 -2.57 116.42 122.46 1jy5 h ASP 74 Ca 0.04 -0.24 -0.14 0.00 0.02 0.00 0.00 57.03 56.71 1jy5 h ASP 74 Cb 0.04 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.32 1jy5 h ASP 74 CO -0.01 0.99 -0.51 -0.07 -1.72 0.00 0.00 179.24 177.91 1jy5 h LEU 75 N 0.94 0.49 -0.96 1.55 3.38 -0.73 0.36 115.31 120.34 1jy5 h LEU 75 Ca 0.18 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.85 1jy5 h LEU 75 Cb 0.45 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.06 1jy5 h LEU 75 CO 0.02 0.92 -0.26 0.77 0.09 0.00 0.00 178.44 179.97 1jy5 h SER 76 N 0.35 0.00 0.08 -0.43 4.64 -1.02 -0.83 113.55 116.34 1jy5 h SER 76 Ca 0.01 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 60.96 1jy5 h SER 76 Cb 1.02 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.06 1jy5 h SER 76 CO 0.09 0.26 -2.27 1.17 -0.87 0.00 0.00 176.83 175.22 1jy5 n LYS 77 N -3.38 0.69 0.00 4.77 4.81 -0.98 -4.17 118.16 119.89 1jy5 n LYS 77 Ca 0.00 0.17 0.08 0.00 -0.87 0.00 0.00 58.31 57.69 1jy5 n LYS 77 Cb 0.47 -1.60 -0.06 0.00 0.02 0.00 0.00 35.03 33.86 1jy5 n LYS 77 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 1jy5 n TYR 78 N -3.24 0.00 -2.61 5.64 4.02 0.13 -4.53 117.16 116.57 1jy5 n TYR 78 Ca -0.38 0.00 -0.13 0.00 -0.01 0.00 0.00 57.90 57.39 1jy5 n TYR 78 Cb 1.03 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 40.38 1jy5 n TYR 78 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 176.86 177.72 1jy5 n TRP 79 N -0.98 1.75 -1.57 -0.72 -0.00 -0.32 0.36 117.44 115.94 1jy5 n TRP 79 Ca 0.04 -2.75 -0.29 0.00 -0.00 0.00 0.00 57.50 54.50 1jy5 n TRP 79 Cb 0.28 -0.29 0.15 0.00 -0.00 0.00 0.00 31.31 31.44 1jy5 n TRP 79 CO 0.00 0.00 0.00 -2.14 -0.00 0.00 0.00 177.69 175.55 1jy5 s PRO 80 N -3.33 0.94 -0.00 5.87 0.02 -1.17 -4.68 135.00 132.64 1jy5 s PRO 80 Ca 0.33 0.16 0.01 0.00 0.02 0.00 0.00 61.00 61.51 1jy5 s PRO 80 Cb 0.43 -1.83 -0.04 0.00 0.02 0.00 0.00 34.50 33.08 1jy5 s PRO 80 CO -0.02 -2.31 0.03 0.45 -0.33 0.00 0.00 177.00 174.82 1jy5 s SER 81 N -4.17 5.33 -0.04 2.53 0.15 -1.26 -4.95 113.70 111.29 1jy5 s SER 81 Ca 0.65 0.05 0.10 0.00 0.70 0.00 0.00 55.95 57.45 1jy5 s SER 81 Cb -0.13 -1.45 0.28 0.00 -1.71 0.00 0.00 66.02 63.02 1jy5 s SER 81 CO 0.53 0.28 1.23 -1.22 1.20 0.00 0.00 173.24 175.26 1jy5 n TYR 82 N 1.31 0.43 -4.24 3.44 4.02 -1.26 -0.86 117.16 120.00 1jy5 n TYR 82 Ca -0.14 -0.59 -0.21 0.00 -0.01 0.00 0.00 57.90 56.95 1jy5 n TYR 82 Cb 0.53 -0.09 -0.12 0.00 -0.02 0.00 0.00 39.34 39.64 1jy5 n TYR 82 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1jy5 s SER 83 N -1.26 2.10 -0.21 7.72 0.15 -1.26 -4.86 113.70 116.08 1jy5 s SER 83 Ca 0.22 -0.64 0.05 0.00 0.70 0.00 0.00 55.95 56.28 1jy5 s SER 83 Cb 0.14 -0.10 -0.21 0.00 -1.71 0.00 0.00 66.02 64.15 1jy5 s SER 83 CO 0.11 -0.00 -0.02 0.00 1.20 0.00 0.00 173.24 174.52 1jy5 s PRO 85 N -2.52 4.33 0.55 0.00 0.04 -1.26 -4.95 135.00 131.19 1jy5 s PRO 85 Ca -0.26 2.20 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1jy5 s PRO 85 Cb 0.08 -3.13 -0.05 0.00 0.04 0.00 0.00 34.50 31.44 1jy5 s PRO 85 CO 0.69 -0.32 1.37 0.45 0.04 0.00 0.00 177.00 179.23 1jy5 s SER 86 N 0.19 5.20 0.44 6.66 0.15 -1.26 -5.03 113.70 120.04 1jy5 s SER 86 Ca 0.56 2.80 0.08 0.00 0.70 0.00 0.00 55.95 60.09 1jy5 s SER 86 Cb -0.40 -2.64 0.01 0.00 -1.71 0.00 0.00 66.02 61.28 1jy5 s SER 86 CO 0.43 -1.62 0.50 -0.94 1.20 0.00 0.00 173.24 172.81 1jy5 s SER 87 N -0.92 5.31 0.01 5.45 1.04 -1.25 -4.94 113.70 118.39 1jy5 s SER 87 Ca 0.72 -0.63 -0.07 0.00 0.48 0.00 0.00 55.95 56.45 1jy5 s SER 87 Cb -0.41 -0.49 -0.00 0.00 0.10 0.00 0.00 66.02 65.22 1jy5 s SER 87 CO 0.49 -0.78 0.13 -0.94 0.98 0.00 0.00 173.24 173.11 1jy5 s SER 88 N -4.28 0.06 -0.07 7.02 1.04 -1.26 0.35 113.70 116.56 1jy5 s SER 88 Ca 0.52 -0.28 -0.30 0.00 0.48 0.00 0.00 55.95 56.37 1jy5 s SER 88 Cb -0.06 0.21 0.10 0.00 0.10 0.00 0.00 66.02 66.36 1jy5 s SER 88 CO 0.31 -0.40 0.84 0.00 0.98 0.00 0.00 173.24 174.97 1jy5 s ALA 89 N -1.62 -1.83 -1.39 5.32 0.00 -0.25 -4.94 121.76 117.06 1jy5 s ALA 89 Ca -0.13 1.31 -0.01 0.00 0.00 0.00 0.00 51.96 53.13 1jy5 s ALA 89 Cb -0.07 -0.14 0.01 0.00 0.00 0.00 0.00 23.12 22.92 1jy5 s ALA 89 CO 0.00 -0.43 0.08 0.00 0.00 0.00 0.00 175.76 175.42 1jy5 n GLY 91 N -0.97 0.81 3.43 0.00 0.00 -1.26 -5.07 105.19 102.14 1jy5 n GLY 91 Ca -0.17 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.66 1jy5 n GLY 91 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1jy5 s SER 92 N -2.05 -0.58 0.41 1.61 1.04 -1.01 -5.15 113.70 107.97 1jy5 s SER 92 Ca 0.00 0.09 -0.23 0.00 0.48 0.00 0.00 55.95 56.29 1jy5 s SER 92 Cb 0.00 0.59 -0.10 0.00 0.10 0.00 0.00 66.02 66.61 1jy5 s SER 92 CO 0.00 -0.92 0.99 -0.36 0.98 0.00 0.00 173.24 173.93 1jy5 s PHE 93 N -3.42 3.31 -0.09 5.02 0.40 -1.26 -1.09 117.98 120.85 1jy5 s PHE 93 Ca -0.00 1.65 -0.01 0.00 -0.60 0.00 0.00 56.93 57.97 1jy5 s PHE 93 Cb -0.01 -2.98 -0.03 0.00 0.51 0.00 0.00 43.02 40.51 1jy5 s PHE 93 CO -0.10 -0.32 -0.04 -0.51 0.70 0.00 0.00 175.22 174.95 1jy5 s ASP 94 N -1.87 4.85 0.20 1.36 1.01 0.16 -4.90 116.67 117.47 1jy5 s ASP 94 Ca 0.60 0.01 0.25 0.00 0.71 0.00 0.00 52.55 54.12 1jy5 s ASP 94 Cb -0.16 -1.37 0.89 0.00 1.01 0.00 0.00 42.92 43.29 1jy5 s ASP 94 CO 0.20 0.33 1.76 0.00 0.21 0.00 0.00 175.17 177.67 1jy5 n ALA 95 N 2.44 2.08 -3.28 5.23 0.00 -1.26 -3.92 120.51 121.80 1jy5 n ALA 95 Ca -0.18 0.00 -0.10 0.00 0.00 0.00 0.00 53.44 53.17 1jy5 n ALA 95 Cb 0.53 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.50 1jy5 n ALA 95 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1jy5 s SER 96 N -4.29 -0.25 0.43 0.00 1.04 -1.26 -5.02 113.70 104.35 1jy5 s SER 96 Ca 0.09 -0.50 0.15 0.00 0.48 0.00 0.00 55.95 56.18 1jy5 s SER 96 Cb 0.12 0.57 0.97 0.00 0.10 0.00 0.00 66.02 67.78 1jy5 s SER 96 CO 0.52 -1.05 1.95 -2.24 0.98 0.00 0.00 173.24 173.41 1jy5 h ASP 97 N 2.21 0.00 -0.11 7.02 2.03 -1.94 -2.07 116.42 123.56 1jy5 h ASP 97 Ca -0.29 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 55.99 1jy5 h ASP 97 Cb 1.26 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.76 1jy5 h ASP 97 CO 0.38 0.23 -0.02 -0.07 -1.03 0.00 0.00 179.24 178.73 1jy5 h LEU 98 N 0.00 0.20 -1.21 0.15 3.38 -1.95 -0.89 115.31 115.00 1jy5 h LEU 98 Ca -0.00 -0.36 -0.03 0.00 0.09 0.00 0.00 57.88 57.58 1jy5 h LEU 98 Cb 0.42 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 41.09 1jy5 h LEU 98 CO 0.03 0.52 0.24 0.00 0.09 0.00 0.00 178.44 179.32 1jy5 h ALA 99 N 0.69 1.38 0.05 1.53 0.00 -1.91 -1.02 119.26 119.99 1jy5 h ALA 99 Ca 0.03 -0.13 -0.00 0.00 0.00 0.00 0.00 54.91 54.80 1jy5 h ALA 99 Cb 0.43 -0.23 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1jy5 h ALA 99 CO 0.01 0.48 -0.02 -0.92 0.00 0.00 0.00 179.25 178.79 1jy5 h TYR 100 N 0.79 -0.06 -0.50 0.00 3.20 -1.22 -2.28 116.97 116.90 1jy5 h TYR 100 Ca 0.19 -0.00 -0.09 0.00 3.14 0.00 0.00 58.73 61.97 1jy5 h TYR 100 Cb 0.13 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.40 1jy5 h TYR 100 CO 0.01 0.19 -0.07 0.93 -1.64 0.00 0.00 178.16 177.59 1jy5 h GLU 101 N -0.31 0.89 0.09 1.82 4.39 -0.95 -1.96 114.58 118.54 1jy5 h GLU 101 Ca -0.01 -0.29 -0.00 0.00 0.34 0.00 0.00 59.36 59.40 1jy5 h GLU 101 Cb 0.28 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.86 1jy5 h GLU 101 CO 0.01 0.93 -0.04 2.35 -1.16 0.00 0.00 179.01 181.10 1jy5 h TRP 102 N 0.81 -0.11 -0.03 4.33 2.91 -1.20 0.22 115.95 122.89 1jy5 h TRP 102 Ca 0.14 -0.00 -0.00 0.00 1.13 0.00 0.00 58.89 60.16 1jy5 h TRP 102 Cb 0.58 0.04 -0.00 0.00 -0.51 0.00 0.00 29.16 29.26 1jy5 h TRP 102 CO 0.03 0.10 0.01 0.00 -1.03 0.00 0.00 178.44 177.55 1jy5 h ALA 103 N 0.60 0.03 -0.10 2.65 0.00 -1.38 0.17 119.26 121.23 1jy5 h ALA 103 Ca -0.01 -0.04 -0.17 0.00 0.00 0.00 0.00 54.91 54.69 1jy5 h ALA 103 Cb 0.25 -0.01 0.01 0.00 0.00 0.00 0.00 17.79 18.04 1jy5 h ALA 103 CO 0.02 -0.43 -0.60 -0.22 0.00 0.00 0.00 179.25 178.02 1jy5 h LYS 104 N -0.03 0.58 0.00 0.00 3.64 -1.39 -3.27 116.57 116.10 1jy5 h LYS 104 Ca 0.01 -0.49 -0.02 0.00 -1.27 0.00 0.00 60.65 58.88 1jy5 h LYS 104 Cb 0.06 0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 31.99 1jy5 h LYS 104 CO -0.00 1.11 -1.08 0.72 -2.27 0.00 0.00 179.45 177.93 1jy5 n HIS 105 N -4.15 0.00 -0.15 1.91 8.25 0.35 -1.20 115.22 120.22 1jy5 n HIS 105 Ca -0.08 0.00 -0.03 0.00 -0.26 0.00 0.00 57.72 57.35 1jy5 n HIS 105 Cb 0.65 -0.05 0.06 0.00 1.12 0.00 0.00 29.99 31.77 1jy5 n HIS 105 CO 0.00 0.00 0.00 0.78 0.64 0.00 0.00 176.34 177.76 1jy5 h GLY 106 N 0.08 0.62 1.50 -1.41 0.00 0.25 -0.83 103.07 103.27 1jy5 h GLY 106 Ca -0.03 -0.07 0.07 0.00 0.00 0.00 0.00 47.33 47.30 1jy5 h GLY 106 CO -0.01 -0.02 0.19 -0.91 0.00 0.00 0.00 176.54 175.79 1jy5 h THR 107 N 0.30 0.74 -0.05 4.70 1.35 -0.92 -0.86 112.91 118.17 1jy5 h THR 107 Ca 0.24 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.10 1jy5 h THR 107 Cb 0.28 0.87 0.00 0.00 -1.73 0.00 0.00 68.15 67.56 1jy5 h THR 107 CO -0.27 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.00 1jy5 n SER 109 N -0.43 0.43 -4.83 0.00 3.41 -0.33 -4.75 113.62 107.12 1jy5 n SER 109 Ca 0.15 -0.17 -0.32 0.00 -0.26 0.00 0.00 58.87 58.27 1jy5 n SER 109 Cb 0.16 0.04 -0.04 0.00 -0.26 0.00 0.00 64.21 64.10 1jy5 n SER 109 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 1jy5 s SER 110 N -2.90 6.63 0.00 4.04 1.04 -1.17 -1.14 113.70 120.19 1jy5 s SER 110 Ca 0.15 1.64 0.31 0.00 0.48 0.00 0.00 55.95 58.52 1jy5 s SER 110 Cb 0.18 -2.52 1.64 0.00 0.10 0.00 0.00 66.02 65.42 1jy5 s SER 110 CO 0.62 -0.58 2.09 -0.81 0.98 0.00 0.00 173.24 175.54 1jy5 n PRO 111 N -1.34 0.99 0.09 4.02 -0.04 -1.26 -4.86 135.00 132.60 1jy5 n PRO 111 Ca 0.07 -0.18 -0.12 0.00 -0.04 0.00 0.00 63.50 63.23 1jy5 n PRO 111 Cb 0.54 -1.50 -0.06 0.00 -0.04 0.00 0.00 33.50 32.45 1jy5 n PRO 111 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1jy5 h VAL 112 N 0.44 0.70 -3.56 0.52 2.07 -1.80 -3.36 116.25 111.26 1jy5 h VAL 112 Ca 0.00 0.00 -0.67 0.00 0.82 0.00 0.00 66.70 66.85 1jy5 h VAL 112 Cb 0.16 0.70 -0.29 0.00 -1.52 0.00 0.00 31.29 30.34 1jy5 h VAL 112 CO 0.00 0.00 -0.68 -0.76 0.02 0.00 0.00 177.57 176.15 1jy5 s LEU 113 N -10.26 3.53 0.33 2.57 1.43 -0.30 -5.02 118.68 110.97 1jy5 s LEU 113 Ca -0.14 -0.76 0.26 0.00 -1.03 0.00 0.00 54.13 52.46 1jy5 s LEU 113 Cb 0.07 -1.78 0.84 0.00 0.03 0.00 0.00 46.19 45.35 1jy5 s LEU 113 CO 0.66 -0.16 1.76 1.23 0.23 0.00 0.00 176.35 180.07 1jy5 h GLY 114 N 8.13 0.00 -1.28 -3.19 0.00 -1.86 -3.10 103.07 101.77 1jy5 h GLY 114 Ca -0.32 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 46.97 1jy5 h GLY 114 CO 0.59 0.00 0.21 0.54 0.00 0.00 0.00 176.54 177.88 1jy5 s ASN 115 N -5.05 0.08 0.17 0.19 2.20 -1.26 -5.00 114.94 106.27 1jy5 s ASN 115 Ca 0.07 -1.13 -0.15 0.00 -0.94 0.00 0.00 52.86 50.71 1jy5 s ASN 115 Cb 0.09 0.82 0.13 0.00 -2.00 0.00 0.00 41.25 40.29 1jy5 s ASN 115 CO 0.55 -1.61 1.72 1.56 -2.94 0.00 0.00 177.10 176.39 1jy5 h GLN 116 N 2.02 0.22 -0.63 3.55 4.20 -1.94 -1.51 115.11 121.01 1jy5 h GLN 116 Ca -0.30 -0.01 -0.01 0.00 0.06 0.00 0.00 58.65 58.38 1jy5 h GLN 116 Cb 1.25 -0.05 -0.03 0.00 0.30 0.00 0.00 27.48 28.95 1jy5 h GLN 116 CO 0.39 0.14 0.35 -0.92 -0.67 0.00 0.00 178.83 178.12 1jy5 h TYR 117 N 0.22 0.87 -0.32 2.96 3.20 -1.97 -1.16 116.97 120.76 1jy5 h TYR 117 Ca 0.21 -0.02 -0.07 0.00 3.14 0.00 0.00 58.73 61.99 1jy5 h TYR 117 Cb 0.26 -0.28 -0.02 0.00 1.54 0.00 0.00 36.73 38.23 1jy5 h TYR 117 CO -0.21 0.62 -0.11 0.93 -1.64 0.00 0.00 178.16 177.76 1jy5 h GLU 118 N 0.86 0.55 0.38 1.82 5.08 -1.86 0.12 114.58 121.53 1jy5 h GLU 118 Ca 0.22 -0.16 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1jy5 h GLU 118 Cb 0.04 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.23 1jy5 h GLU 118 CO -0.04 0.66 -0.18 -0.92 -1.00 0.00 0.00 179.01 177.53 1jy5 h TYR 119 N 0.51 -0.47 -0.43 4.33 3.20 -0.83 -1.50 116.97 121.77 1jy5 h TYR 119 Ca 0.09 -0.01 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 1jy5 h TYR 119 Cb 0.49 0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.91 1jy5 h TYR 119 CO 0.02 -0.16 -0.10 0.74 -1.64 0.00 0.00 178.16 177.02 1jy5 h PHE 120 N -0.79 0.93 -0.52 -3.82 -1.00 -1.17 -2.04 116.94 108.53 1jy5 h PHE 120 Ca -0.05 -0.20 -0.10 0.00 2.81 0.00 0.00 57.97 60.43 1jy5 h PHE 120 Cb 0.53 -0.23 -0.02 0.00 3.61 0.00 0.00 35.95 39.84 1jy5 h PHE 120 CO 0.01 0.94 -0.08 0.66 -1.61 0.00 0.00 178.31 178.23 1jy5 h SER 121 N 0.66 0.94 -0.16 2.17 4.64 -1.06 -1.74 113.55 119.00 1jy5 h SER 121 Ca 0.11 -0.29 -0.10 0.00 -0.47 0.00 0.00 61.79 61.04 1jy5 h SER 121 Cb 0.63 -0.25 -0.01 0.00 -0.31 0.00 0.00 62.40 62.45 1jy5 h SER 121 CO 0.04 1.04 -0.23 0.74 -0.87 0.00 0.00 176.83 177.55 1jy5 h THR 122 N 0.86 1.27 -0.44 2.95 2.02 -1.21 0.44 112.91 118.80 1jy5 h THR 122 Ca 0.14 -1.29 -0.04 0.00 0.77 0.00 0.00 66.41 65.99 1jy5 h THR 122 Cb 0.62 1.28 -0.02 0.00 -1.74 0.00 0.00 68.15 68.29 1jy5 h THR 122 CO 0.04 0.42 0.11 0.74 0.37 0.00 0.00 175.52 177.20 1jy5 h THR 123 N 0.54 1.23 -0.78 3.16 2.02 -1.11 -1.52 112.91 116.45 1jy5 h THR 123 Ca 0.08 -0.80 -0.01 0.00 0.77 0.00 0.00 66.41 66.45 1jy5 h THR 123 Cb 0.69 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 67.98 1jy5 h THR 123 CO 0.05 0.28 0.45 -0.07 0.37 0.00 0.00 175.52 176.60 1jy5 h LEU 124 N 0.57 0.96 0.01 2.58 4.07 -0.94 0.41 115.31 122.97 1jy5 h LEU 124 Ca 0.14 -0.08 0.02 0.00 0.08 0.00 0.00 57.88 58.04 1jy5 h LEU 124 Cb 0.31 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1jy5 h LEU 124 CO 0.00 0.76 -0.14 -0.03 -1.08 0.00 0.00 178.44 177.95 1jy5 h MET 125 N 1.08 -0.23 -0.76 1.13 4.05 -0.51 0.22 114.93 119.91 1jy5 h MET 125 Ca 0.28 0.02 -0.02 0.00 -0.28 0.00 0.00 59.70 59.69 1jy5 h MET 125 Cb -0.00 0.05 -0.04 0.00 -0.80 0.00 0.00 31.60 30.81 1jy5 h MET 125 CO -0.05 -0.15 0.40 -0.07 0.23 0.00 0.00 176.91 177.27 1jy5 h LEU 126 N -0.24 0.96 -0.81 3.39 3.38 -1.07 0.21 115.31 121.13 1jy5 h LEU 126 Ca 0.04 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.90 1jy5 h LEU 126 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.76 1jy5 h LEU 126 CO -0.13 0.80 0.50 0.22 0.09 0.00 0.00 178.44 179.92 1jy5 h TYR 127 N 1.06 1.05 -0.03 1.13 3.20 -0.13 -1.46 116.97 121.79 1jy5 h TYR 127 Ca 0.27 0.01 -0.20 0.00 3.14 0.00 0.00 58.73 61.94 1jy5 h TYR 127 Cb 0.06 -0.35 -0.00 0.00 1.54 0.00 0.00 36.73 37.98 1jy5 h TYR 127 CO 0.00 0.69 -0.85 0.74 -1.64 0.00 0.00 178.16 177.10 1jy5 h PHE 128 N 1.10 0.51 -0.08 -3.82 0.05 -0.27 -3.32 116.94 111.12 1jy5 h PHE 128 Ca 0.29 -0.26 -0.01 0.00 3.82 0.00 0.00 57.97 61.81 1jy5 h PHE 128 Cb -0.07 -0.07 -0.00 0.00 2.00 0.00 0.00 35.95 37.81 1jy5 h PHE 128 CO -0.01 1.06 0.01 -0.22 -0.18 0.00 0.00 178.31 178.96 1jy5 h LYS 129 N 0.22 0.14 -3.47 1.51 3.64 -0.64 -3.35 116.57 114.61 1jy5 h LYS 129 Ca -0.05 -0.04 -0.76 0.00 -1.27 0.00 0.00 60.65 58.53 1jy5 h LYS 129 Cb 1.46 -0.01 -0.31 0.00 -0.41 0.00 0.00 32.23 32.96 1jy5 h LYS 129 CO 0.14 0.39 0.19 0.71 -2.27 0.00 0.00 179.45 178.61 1jy5 s TYR 130 N -5.05 4.08 -0.81 1.91 1.51 -0.58 -5.01 117.35 113.41 1jy5 s TYR 130 Ca -0.14 -2.81 -0.25 0.00 -1.01 0.00 0.00 57.07 52.85 1jy5 s TYR 130 Cb 0.05 -3.58 0.01 0.00 -0.11 0.00 0.00 41.96 38.33 1jy5 s TYR 130 CO 0.69 -0.86 1.55 1.21 -1.11 0.00 0.00 175.55 177.04 1jy5 s ASN 131 N 0.73 5.90 0.22 2.29 3.84 -1.26 -4.83 114.94 121.82 1jy5 s ASN 131 Ca 0.29 -0.57 -0.07 0.00 0.21 0.00 0.00 52.86 52.72 1jy5 s ASN 131 Cb -0.09 -2.56 0.18 0.00 -0.55 0.00 0.00 41.25 38.23 1jy5 s ASN 131 CO -0.10 -2.01 1.73 0.40 -2.79 0.00 0.00 177.10 174.33 1jy5 h ILE 132 N 6.61 1.26 -0.71 -5.21 1.08 -1.95 -2.60 117.51 115.99 1jy5 h ILE 132 Ca -0.09 -0.99 0.07 0.00 -0.39 0.00 0.00 64.86 63.47 1jy5 h ILE 132 Cb 1.06 0.62 -0.06 0.00 -3.07 0.00 0.00 36.82 35.37 1jy5 h ILE 132 CO 1.29 0.37 0.38 0.28 -0.69 0.00 0.00 178.15 179.79 1jy5 h SER 133 N 0.99 0.54 -0.16 1.72 0.02 -1.94 -1.19 113.55 113.53 1jy5 h SER 133 Ca 0.20 0.04 -0.10 0.00 -0.84 0.00 0.00 61.79 61.10 1jy5 h SER 133 Cb 0.40 -0.06 -0.01 0.00 0.14 0.00 0.00 62.40 62.86 1jy5 h SER 133 CO 0.01 0.33 -0.21 -0.08 -1.14 0.00 0.00 176.83 175.74 1jy5 h GLU 134 N 0.68 0.59 -0.65 3.45 4.81 -1.91 -2.01 114.58 119.53 1jy5 h GLU 134 Ca 0.33 -0.21 -0.06 0.00 -0.13 0.00 0.00 59.36 59.29 1jy5 h GLU 134 Cb 0.27 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.58 1jy5 h GLU 134 CO -0.22 0.76 0.17 0.82 -0.73 0.00 0.00 179.01 179.82 1jy5 h ILE 135 N 0.53 1.25 -0.23 2.32 2.04 -0.92 -1.77 117.51 120.72 1jy5 h ILE 135 Ca 0.08 -0.91 -0.09 0.00 1.00 0.00 0.00 64.86 64.94 1jy5 h ILE 135 Cb 0.65 0.60 -0.00 0.00 -0.74 0.00 0.00 36.82 37.33 1jy5 h ILE 135 CO 0.05 0.35 -0.20 -0.07 0.00 0.00 0.00 178.15 178.28 1jy5 h LEU 136 N 0.96 0.58 -1.33 1.44 3.38 -1.06 -3.03 115.31 116.25 1jy5 h LEU 136 Ca 0.21 -0.46 -0.02 0.00 0.09 0.00 0.00 57.88 57.70 1jy5 h LEU 136 Cb 0.34 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.90 1jy5 h LEU 136 CO -0.00 0.91 0.22 0.77 0.09 0.00 0.00 178.44 180.43 1jy5 h SER 137 N 0.25 0.61 0.78 -0.43 4.64 -1.28 -0.22 113.55 117.89 1jy5 h SER 137 Ca 0.04 -0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.30 1jy5 h SER 137 Cb 0.74 -0.16 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1jy5 h SER 137 CO 0.05 0.53 0.00 -0.62 -0.87 0.00 0.00 176.83 175.92 1jy5 n GLU 138 N -4.37 0.12 -0.16 4.77 1.02 -0.67 -2.13 120.64 119.21 1jy5 n GLU 138 Ca 0.04 0.30 0.09 0.00 -0.02 0.00 0.00 57.16 57.57 1jy5 n GLU 138 Cb 0.13 -1.71 0.17 0.00 -0.02 0.00 0.00 31.44 30.01 1jy5 n GLU 138 CO 0.00 0.00 0.00 0.43 1.18 0.00 0.00 177.13 178.74 1jy5 n SER 139 N -1.94 3.07 0.00 1.62 7.64 -0.46 -4.95 113.62 118.60 1jy5 n SER 139 Ca 0.03 -1.89 0.00 0.00 1.01 0.00 0.00 58.87 58.02 1jy5 n SER 139 Cb 0.25 -0.21 0.00 0.00 -1.01 0.00 0.00 64.21 63.23 1jy5 n SER 139 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1jy5 n GLY 140 N 1.09 1.65 3.06 0.23 0.00 -0.91 -4.98 105.19 105.34 1jy5 n GLY 140 Ca 0.15 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.76 1jy5 n GLY 140 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1jy5 n TYR 141 N -2.00 3.30 -2.56 1.61 4.02 -0.22 -4.94 117.16 116.37 1jy5 n TYR 141 Ca 0.00 -2.55 -0.28 0.00 -0.01 0.00 0.00 57.90 55.06 1jy5 n TYR 141 Cb 0.00 -2.38 -0.00 0.00 -0.02 0.00 0.00 39.34 36.94 1jy5 n TYR 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 1jy5 s LEU 142 N 3.12 3.60 0.11 7.72 1.43 -1.26 -3.82 118.68 129.57 1jy5 s LEU 142 Ca 0.53 1.01 -0.31 0.00 -1.03 0.00 0.00 54.13 54.32 1jy5 s LEU 142 Cb 0.11 -3.97 -0.07 0.00 0.03 0.00 0.00 46.19 42.29 1jy5 s LEU 142 CO 0.01 -0.60 1.31 -2.16 0.23 0.00 0.00 176.35 175.14 1jy5 s PRO 143 N -4.72 4.37 -0.24 1.29 0.04 -1.26 -4.81 135.00 129.67 1jy5 s PRO 143 Ca 0.49 1.96 -0.21 0.00 0.04 0.00 0.00 61.00 63.28 1jy5 s PRO 143 Cb -0.10 -3.28 0.06 0.00 0.04 0.00 0.00 34.50 31.22 1jy5 s PRO 143 CO 0.45 -0.35 0.64 0.45 0.04 0.00 0.00 177.00 178.23 1jy5 s SER 144 N 0.99 -0.69 0.00 6.66 0.15 0.49 -4.82 113.70 116.48 1jy5 s SER 144 Ca 0.61 1.30 0.22 0.00 0.70 0.00 0.00 55.95 58.78 1jy5 s SER 144 Cb -0.34 1.30 1.13 0.00 -1.71 0.00 0.00 66.02 66.39 1jy5 s SER 144 CO 0.31 -0.22 1.75 0.59 1.20 0.00 0.00 173.24 176.86 1jy5 n ASN 145 N 2.94 0.58 0.00 5.45 5.03 -1.26 -3.76 115.26 124.25 1jy5 n ASN 145 Ca -0.15 -1.44 0.00 0.00 0.87 0.00 0.00 54.58 53.86 1jy5 n ASN 145 Cb 0.56 -0.03 0.00 0.00 -1.02 0.00 0.00 39.78 39.29 1jy5 n ASN 145 CO 0.00 0.00 0.00 0.41 -1.83 0.00 0.00 177.26 175.84 1jy5 n THR 146 N -0.44 0.00 -1.59 3.41 -1.04 -1.26 -5.02 114.28 108.34 1jy5 n THR 146 Ca 0.17 0.00 -0.41 0.00 -2.04 0.00 0.00 64.05 61.77 1jy5 n THR 146 Cb 0.17 -1.01 0.02 0.00 -1.82 0.00 0.00 70.33 67.69 1jy5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1jy5 n ALA 147 N -2.73 -0.03 -3.77 2.41 0.00 -1.26 -4.99 120.51 110.14 1jy5 n ALA 147 Ca 0.00 0.20 -0.30 0.00 0.00 0.00 0.00 53.44 53.34 1jy5 n ALA 147 Cb 0.46 -2.05 -0.15 0.00 0.00 0.00 0.00 19.45 17.71 1jy5 n ALA 147 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1jy5 s GLU 148 N -2.04 0.84 0.59 0.00 0.41 -1.26 -4.55 118.70 112.70 1jy5 s GLU 148 Ca 0.64 -1.23 -0.03 0.00 -0.41 0.00 0.00 54.97 53.95 1jy5 s GLU 148 Cb -0.55 -2.18 0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1jy5 s GLU 148 CO 0.56 -0.99 0.86 0.71 -0.49 0.00 0.00 175.26 175.91 1jy5 s TYR 149 N 1.46 3.00 -0.13 1.61 1.51 0.27 -4.81 117.35 120.27 1jy5 s TYR 149 Ca 0.10 0.29 -0.18 0.00 -1.01 0.00 0.00 57.07 56.27 1jy5 s TYR 149 Cb -0.18 -2.83 -0.04 0.00 -0.11 0.00 0.00 41.96 38.80 1jy5 s TYR 149 CO -0.22 -0.96 0.46 0.15 -1.11 0.00 0.00 175.55 173.87 1jy5 s LYS 150 N -4.93 4.32 0.30 -0.62 1.02 -1.26 -0.52 119.74 118.05 1jy5 s LYS 150 Ca 0.56 0.40 -0.01 0.00 0.02 0.00 0.00 55.97 56.95 1jy5 s LYS 150 Cb -0.10 -3.44 0.47 0.00 -0.52 0.00 0.00 37.83 34.24 1jy5 s LYS 150 CO 0.42 0.15 1.93 0.28 -0.92 0.00 0.00 175.35 177.21 1jy5 h VAL 151 N 4.74 1.14 0.00 3.17 2.07 -1.77 0.16 116.25 125.75 1jy5 h VAL 151 Ca -0.41 -0.37 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 1jy5 h VAL 151 Cb 1.18 -0.05 -0.00 0.00 -1.52 0.00 0.00 31.29 30.89 1jy5 h VAL 151 CO 0.76 0.20 -0.08 -0.33 0.02 0.00 0.00 177.57 178.14 1jy5 h GLU 152 N 1.09 0.00 0.20 1.57 5.08 -1.93 -1.96 114.58 118.63 1jy5 h GLU 152 Ca 0.36 0.00 -0.31 0.00 -1.00 0.00 0.00 59.36 58.41 1jy5 h GLU 152 Cb 0.05 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.32 1jy5 h GLU 152 CO -0.11 0.08 -1.43 0.78 -1.00 0.00 0.00 179.01 177.32 1jy5 h GLY 153 N 1.33 0.48 0.86 -3.84 0.00 -1.39 -2.81 103.07 97.70 1jy5 h GLY 153 Ca -0.00 -1.23 -0.03 0.00 0.00 0.00 0.00 47.33 46.06 1jy5 h GLY 153 CO 0.01 1.08 0.03 -2.22 0.00 0.00 0.00 176.54 175.44 1jy5 h ILE 154 N -0.02 1.24 0.00 2.60 2.04 -1.13 -1.73 117.51 120.51 1jy5 h ILE 154 Ca -0.27 -0.83 -0.05 0.00 1.00 0.00 0.00 64.86 64.71 1jy5 h ILE 154 Cb 2.00 1.28 -0.01 0.00 -0.74 0.00 0.00 36.82 39.36 1jy5 h ILE 154 CO 0.20 0.26 -0.25 0.24 0.00 0.00 0.00 178.15 178.61 1jy5 h MET 155 N 0.24 0.00 -0.22 2.37 2.86 -1.50 -2.47 114.93 116.21 1jy5 h MET 155 Ca 0.08 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.53 1jy5 h MET 155 Cb 0.36 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.03 1jy5 h MET 155 CO 0.01 0.25 -0.61 1.03 1.06 0.00 0.00 176.91 178.65 1jy5 h SER 156 N 0.00 0.91 0.13 1.22 0.87 -1.21 -1.26 113.55 114.20 1jy5 h SER 156 Ca -0.00 -0.58 -0.01 0.00 -1.23 0.00 0.00 61.79 59.97 1jy5 h SER 156 Cb 0.60 -0.26 0.00 0.00 -0.44 0.00 0.00 62.40 62.30 1jy5 h SER 156 CO 0.03 1.32 -0.06 0.00 -0.53 0.00 0.00 176.83 177.59 1jy5 h ALA 157 N 0.61 -0.17 -0.90 6.23 0.00 -1.01 -1.94 119.26 122.07 1jy5 h ALA 157 Ca -0.01 -0.10 0.02 0.00 0.00 0.00 0.00 54.91 54.81 1jy5 h ALA 157 Cb 1.22 0.07 -0.05 0.00 0.00 0.00 0.00 17.79 19.03 1jy5 h ALA 157 CO 0.13 -0.52 0.59 0.82 0.00 0.00 0.00 179.25 180.28 1jy5 h ILE 158 N -0.33 1.19 -0.16 0.00 2.04 -1.50 -2.57 117.51 116.18 1jy5 h ILE 158 Ca -0.02 -0.40 0.03 0.00 1.00 0.00 0.00 64.86 65.47 1jy5 h ILE 158 Cb 0.27 -0.09 -0.03 0.00 -0.74 0.00 0.00 36.82 36.23 1jy5 h ILE 158 CO 0.03 0.21 -0.05 -0.61 0.00 0.00 0.00 178.15 177.73 1jy5 h GLN 159 N 1.17 -0.02 0.00 2.37 5.75 -0.90 0.81 115.11 124.29 1jy5 h GLN 159 Ca 0.35 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.85 1jy5 h GLN 159 Cb -0.05 0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.50 1jy5 h GLN 159 CO -0.09 -0.02 0.00 -1.13 -2.65 0.00 0.00 178.83 174.94 1jy5 n SER 160 N -5.19 0.70 -0.06 -0.69 3.41 -0.76 0.49 113.62 111.52 1jy5 n SER 160 Ca -0.03 0.65 -0.22 0.00 -0.26 0.00 0.00 58.87 59.01 1jy5 n SER 160 Cb 0.12 -0.81 -0.13 0.00 -0.26 0.00 0.00 64.21 63.14 1jy5 n SER 160 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1jy5 n ALA 161 N -1.78 0.92 0.49 7.33 0.00 -0.79 -4.48 120.51 122.21 1jy5 n ALA 161 Ca 0.03 -0.64 0.11 0.00 0.00 0.00 0.00 53.44 52.94 1jy5 n ALA 161 Cb 0.27 -0.52 -0.05 0.00 0.00 0.00 0.00 19.45 19.15 1jy5 n ALA 161 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1jy5 n LEU 162 N -3.88 0.56 -0.24 0.00 4.77 0.21 -4.95 117.00 113.46 1jy5 n LEU 162 Ca -0.35 -0.08 -0.03 0.00 -0.03 0.00 0.00 56.01 55.51 1jy5 n LEU 162 Cb 0.89 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.91 1jy5 n LEU 162 CO 0.29 0.06 -0.03 0.54 -1.33 0.00 0.00 177.39 176.92 1jy5 n ARG 163 N -1.98 -1.03 -4.09 3.23 5.12 0.18 -4.97 116.66 113.11 1jy5 n ARG 163 Ca 0.01 0.45 -0.14 0.00 -1.93 0.00 0.00 57.85 56.23 1jy5 n ARG 163 Cb 0.45 -4.33 -0.12 0.00 -1.16 0.00 0.00 32.46 27.31 1jy5 n ARG 163 CO 0.00 0.00 0.00 0.14 -1.93 0.00 0.00 177.63 175.84 1jy5 s VAL 164 N -1.71 0.66 -0.23 1.55 -7.23 -1.23 -5.01 120.40 107.19 1jy5 s VAL 164 Ca 0.00 -1.09 -0.21 0.00 -1.81 0.00 0.00 61.98 58.87 1jy5 s VAL 164 Cb 0.00 -0.70 -0.02 0.00 0.56 0.00 0.00 36.38 36.22 1jy5 s VAL 164 CO 0.00 -0.32 0.65 -0.89 -0.31 0.00 0.00 175.10 174.23 1jy5 s THR 165 N -1.30 4.98 0.69 5.32 2.01 -1.26 -4.16 115.64 121.92 1jy5 s THR 165 Ca -0.08 1.20 -0.10 0.00 0.31 0.00 0.00 61.69 63.02 1jy5 s THR 165 Cb -0.10 -3.96 0.02 0.00 0.01 0.00 0.00 72.50 68.47 1jy5 s THR 165 CO 0.01 0.04 1.06 -2.16 -0.69 0.00 0.00 174.62 172.88 1jy5 s PRO 166 N 2.34 2.81 -0.15 4.92 0.04 -1.26 -4.36 135.00 139.34 1jy5 s PRO 166 Ca 0.28 0.32 -0.03 0.00 0.04 0.00 0.00 61.00 61.61 1jy5 s PRO 166 Cb -0.16 -2.08 -0.03 0.00 0.04 0.00 0.00 34.50 32.28 1jy5 s PRO 166 CO 0.09 -1.00 -0.04 0.08 0.04 0.00 0.00 177.00 176.17 1jy5 s VAL 167 N -3.29 3.85 -0.01 -0.36 1.01 -0.25 -4.92 120.40 116.42 1jy5 s VAL 167 Ca 0.57 -0.38 0.06 0.00 0.00 0.00 0.00 61.98 62.23 1jy5 s VAL 167 Cb -0.11 -2.67 -0.03 0.00 0.00 0.00 0.00 36.38 33.57 1jy5 s VAL 167 CO 0.50 0.51 -0.18 -0.69 0.00 0.00 0.00 175.10 175.24 1jy5 s VAL 168 N 0.25 2.77 -0.08 2.92 1.01 -1.26 0.48 120.40 126.48 1jy5 s VAL 168 Ca -0.03 -0.98 0.01 0.00 0.00 0.00 0.00 61.98 60.99 1jy5 s VAL 168 Cb -0.14 -2.10 0.02 0.00 0.00 0.00 0.00 36.38 34.16 1jy5 s VAL 168 CO 0.03 0.49 -0.11 -0.54 0.00 0.00 0.00 175.10 174.97 1jy5 s LYS 169 N -0.99 1.71 0.25 2.72 -0.14 0.22 -4.51 119.74 118.99 1jy5 s LYS 169 Ca 0.12 -0.38 0.09 0.00 -1.36 0.00 0.00 55.97 54.44 1jy5 s LYS 169 Cb -0.10 -1.51 -0.04 0.00 -1.68 0.00 0.00 37.83 34.50 1jy5 s LYS 169 CO 0.02 -0.07 -0.01 0.00 -0.76 0.00 0.00 175.35 174.53 1jy5 n LYS 171 N -0.71 2.50 -2.90 0.00 4.81 0.13 -4.82 118.16 117.17 1jy5 n LYS 171 Ca -0.07 -4.60 -0.10 0.00 -0.87 0.00 0.00 58.31 52.66 1jy5 n LYS 171 Cb 0.58 -2.30 0.01 0.00 0.02 0.00 0.00 35.03 33.34 1jy5 n LYS 171 CO 0.00 0.00 0.00 0.45 1.17 0.00 0.00 177.40 179.02 1jy5 n SER 172 N 1.31 -7.76 -3.38 3.14 2.88 -1.26 -4.08 113.62 104.47 1jy5 n SER 172 Ca 0.26 0.54 -0.17 0.00 -1.33 0.00 0.00 58.87 58.17 1jy5 n SER 172 Cb 0.38 -5.06 0.08 0.00 -0.75 0.00 0.00 64.21 58.86 1jy5 n SER 172 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1jy5 n ASP 173 N -0.22 -3.79 -3.25 -3.46 2.03 -1.26 -5.01 116.55 101.59 1jy5 n ASP 173 Ca 0.09 -0.67 0.04 0.00 0.52 0.00 0.00 54.79 54.77 1jy5 n ASP 173 Cb 0.45 -5.07 -0.03 0.00 -0.72 0.00 0.00 41.12 35.75 1jy5 n ASP 173 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1jy5 s ALA 174 N -3.39 -3.11 -0.15 -1.67 0.00 -1.26 -3.61 121.76 108.58 1jy5 s ALA 174 Ca 0.18 1.74 -0.29 0.00 0.00 0.00 0.00 51.96 53.59 1jy5 s ALA 174 Cb -0.03 -2.29 -0.05 0.00 0.00 0.00 0.00 23.12 20.76 1jy5 s ALA 174 CO 0.74 -1.18 1.94 0.08 0.00 0.00 0.00 175.76 177.35 1jy5 s VAL 175 N 2.60 3.24 -0.20 0.00 1.01 -0.85 0.21 120.40 126.40 1jy5 s VAL 175 Ca -0.01 0.27 0.04 0.00 0.00 0.00 0.00 61.98 62.28 1jy5 s VAL 175 Cb -0.07 -3.25 -0.15 0.00 0.00 0.00 0.00 36.38 32.91 1jy5 s VAL 175 CO -0.15 -0.11 -0.14 1.21 0.00 0.00 0.00 175.10 175.92 1jy5 n GLU 176 N 8.05 0.69 -3.82 2.72 2.13 -0.14 -4.57 120.64 125.70 1jy5 n GLU 176 Ca 0.23 0.10 -0.13 0.00 0.66 0.00 0.00 57.16 58.02 1jy5 n GLU 176 Cb 0.44 -1.42 -0.14 0.00 0.27 0.00 0.00 31.44 30.59 1jy5 n GLU 176 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1jy5 s GLN 177 N -2.42 0.09 -0.09 5.31 0.74 -0.26 -1.23 119.66 121.81 1jy5 s GLN 177 Ca -0.24 0.18 0.04 0.00 0.05 0.00 0.00 55.36 55.39 1jy5 s GLN 177 Cb 0.07 -0.02 -0.00 0.00 1.10 0.00 0.00 33.01 34.16 1jy5 s GLN 177 CO 0.52 -0.05 -0.23 0.08 -0.55 0.00 0.00 175.29 175.06 1jy5 s VAL 178 N 0.34 1.95 -0.08 1.34 1.01 -0.17 -0.61 120.40 124.18 1jy5 s VAL 178 Ca -0.02 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.02 1jy5 s VAL 178 Cb -0.04 -1.68 -0.02 0.00 0.00 0.00 0.00 36.38 34.64 1jy5 s VAL 178 CO -0.01 0.54 -0.16 -1.10 0.00 0.00 0.00 175.10 174.36 1jy5 s GLN 179 N 0.26 2.83 -0.03 2.72 -0.21 0.18 -0.88 119.66 124.53 1jy5 s GLN 179 Ca -0.15 -0.73 0.04 0.00 0.02 0.00 0.00 55.36 54.53 1jy5 s GLN 179 Cb -0.17 -2.43 -0.00 0.00 1.00 0.00 0.00 33.01 31.42 1jy5 s GLN 179 CO 0.07 0.43 -0.14 0.42 -2.12 0.00 0.00 175.29 173.95 1jy5 s ILE 180 N -0.23 1.16 0.05 1.08 -1.09 -0.80 -1.09 121.20 120.27 1jy5 s ILE 180 Ca 0.00 -0.57 0.04 0.00 -2.23 0.00 0.00 60.65 57.89 1jy5 s ILE 180 Cb -0.13 -1.00 -0.04 0.00 -1.58 0.00 0.00 42.46 39.71 1jy5 s ILE 180 CO 0.03 0.34 -0.00 0.00 -1.23 0.00 0.00 174.94 174.08 1jy5 s PHE 182 N -1.22 0.74 0.96 0.00 0.40 -0.24 -0.43 117.98 118.19 1jy5 s PHE 182 Ca 0.23 -0.37 -0.16 0.00 -0.60 0.00 0.00 56.93 56.04 1jy5 s PHE 182 Cb -0.12 -0.45 0.19 0.00 0.51 0.00 0.00 43.02 43.16 1jy5 s PHE 182 CO 0.15 -0.04 1.31 0.16 0.70 0.00 0.00 175.22 177.51 1jy5 s ASP 183 N -1.13 3.18 0.00 1.36 3.84 0.14 -0.18 116.67 123.88 1jy5 s ASP 183 Ca -0.04 0.31 0.10 0.00 -0.00 0.00 0.00 52.55 52.92 1jy5 s ASP 183 Cb -0.08 -0.39 0.53 0.00 -1.38 0.00 0.00 42.92 41.61 1jy5 s ASP 183 CO 0.00 -2.70 1.14 0.29 -0.00 0.00 0.00 175.17 173.91 1jy5 n LYS 184 N -3.75 0.20 -0.50 2.11 5.02 -1.26 -0.96 118.16 119.02 1jy5 n LYS 184 Ca 0.15 0.12 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 1jy5 n LYS 184 Cb 0.60 -1.50 0.28 0.00 -0.02 0.00 0.00 35.03 34.38 1jy5 n LYS 184 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1jy5 n THR 185 N -1.18 2.35 -1.42 -0.18 -2.24 -1.26 -4.96 114.28 105.39 1jy5 n THR 185 Ca 0.06 -1.85 -0.15 0.00 -2.27 0.00 0.00 64.05 59.84 1jy5 n THR 185 Cb 0.06 -0.26 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 1jy5 n THR 185 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1jy5 n LEU 186 N -0.41 -0.96 -4.77 3.22 4.77 -0.13 -4.99 117.00 113.74 1jy5 n LEU 186 Ca 0.22 0.36 -0.38 0.00 -0.03 0.00 0.00 56.01 56.19 1jy5 n LEU 186 Cb 0.93 -2.35 -0.06 0.00 -2.33 0.00 0.00 43.42 39.61 1jy5 n LEU 186 CO 0.17 -0.86 0.10 -1.10 -1.33 0.00 0.00 177.39 174.37 1jy5 s GLN 187 N -3.18 4.14 0.34 3.23 -0.21 -1.26 -4.81 119.66 117.91 1jy5 s GLN 187 Ca 0.00 0.34 -0.27 0.00 0.02 0.00 0.00 55.36 55.46 1jy5 s GLN 187 Cb 0.00 -3.34 -0.13 0.00 1.00 0.00 0.00 33.01 30.54 1jy5 s GLN 187 CO 0.00 0.40 0.99 1.28 -2.12 0.00 0.00 175.29 175.84 1jy5 n LEU 188 N 2.87 1.96 -4.08 2.90 4.77 -1.26 -0.68 117.00 123.47 1jy5 n LEU 188 Ca -0.11 1.12 -0.11 0.00 -0.03 0.00 0.00 56.01 56.88 1jy5 n LEU 188 Cb 0.52 -1.30 -0.07 0.00 -2.33 0.00 0.00 43.42 40.24 1jy5 n LEU 188 CO 0.40 -1.49 0.03 0.00 -1.33 0.00 0.00 177.39 175.00 1jy5 s GLN 189 N -1.70 1.49 0.35 3.23 -2.07 0.42 -4.73 119.66 116.66 1jy5 s GLN 189 Ca 0.60 -1.47 -0.25 0.00 -1.82 0.00 0.00 55.36 52.42 1jy5 s GLN 189 Cb -0.65 0.40 -0.10 0.00 -1.09 0.00 0.00 33.01 31.57 1jy5 s GLN 189 CO 0.59 -0.58 0.98 -1.21 -1.32 0.00 0.00 175.29 173.75 1jy5 s GLU 190 N -3.91 4.43 0.52 9.60 0.41 -1.26 -3.96 118.70 124.53 1jy5 s GLU 190 Ca 0.29 1.38 -0.06 0.00 -0.41 0.00 0.00 54.97 56.18 1jy5 s GLU 190 Cb 0.02 -2.68 -0.03 0.00 -1.78 0.00 0.00 34.13 29.66 1jy5 s GLU 190 CO 0.12 0.12 0.84 0.00 -0.49 0.00 0.00 175.26 175.85 1jy5 s PRO 192 N -4.86 2.84 -0.12 0.00 0.04 -1.26 -4.85 135.00 126.80 1jy5 s PRO 192 Ca 0.50 2.03 -0.37 0.00 0.04 0.00 0.00 61.00 63.19 1jy5 s PRO 192 Cb -0.10 -1.98 -0.15 0.00 0.04 0.00 0.00 34.50 32.31 1jy5 s PRO 192 CO 0.46 -1.36 1.68 0.45 0.04 0.00 0.00 177.00 178.27 1jy5 n SER 193 N -1.57 2.54 -3.99 6.66 2.88 -1.26 -4.96 113.62 113.92 1jy5 n SER 193 Ca 0.14 1.06 -0.19 0.00 -1.33 0.00 0.00 58.87 58.55 1jy5 n SER 193 Cb 0.48 -1.23 -0.15 0.00 -0.75 0.00 0.00 64.21 62.56 1jy5 n SER 193 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 1jy5 s THR 194 N 2.79 0.65 0.32 2.46 2.01 -1.26 -5.14 115.64 117.47 1jy5 s THR 194 Ca 0.92 -0.31 -0.28 0.00 0.31 0.00 0.00 61.69 62.34 1jy5 s THR 194 Cb -0.92 -0.57 -0.09 0.00 0.01 0.00 0.00 72.50 70.92 1jy5 s THR 194 CO 0.56 0.20 1.13 0.00 -0.69 0.00 0.00 174.62 175.82 1jy5 s ALA 195 N 0.08 3.33 0.55 7.40 0.00 -1.26 -4.99 121.76 126.87 1jy5 s ALA 195 Ca -0.01 0.92 -0.21 0.00 0.00 0.00 0.00 51.96 52.66 1jy5 s ALA 195 Cb -0.06 -3.35 -0.05 0.00 0.00 0.00 0.00 23.12 19.67 1jy5 s ALA 195 CO -0.00 -0.28 1.31 -1.12 0.00 0.00 0.00 175.76 175.66 1jy5 s SER 196 N -0.97 5.32 0.00 0.00 0.01 -1.26 -4.93 113.70 111.87 1jy5 s SER 196 Ca 0.49 2.64 0.00 0.00 1.31 0.00 0.00 55.95 60.39 1jy5 s SER 196 Cb -0.31 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.29 1jy5 s SER 196 CO 0.40 -1.52 0.29 0.35 0.41 0.00 0.00 173.24 173.17 1jy5 n THR 197 N -1.10 0.08 -3.96 1.44 -2.24 -1.26 -5.07 114.28 102.16 1jy5 n THR 197 Ca 0.11 -0.23 -0.31 0.00 -2.27 0.00 0.00 64.05 61.35 1jy5 n THR 197 Cb 0.46 1.45 -0.05 0.00 -2.10 0.00 0.00 70.33 70.10 1jy5 n THR 197 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jy5 s PRO 199 N -2.42 -0.91 0.19 0.00 0.04 -1.26 -4.94 135.00 125.71 1jy5 s PRO 199 Ca 0.33 -0.19 -0.12 0.00 0.04 0.00 0.00 61.00 61.06 1jy5 s PRO 199 Cb -0.13 -1.64 0.15 0.00 0.04 0.00 0.00 34.50 32.92 1jy5 s PRO 199 CO 0.25 -3.48 1.83 0.77 0.04 0.00 0.00 177.00 176.41 1jy5 h SER 200 N -2.41 0.62 -4.09 6.66 0.02 -1.99 -3.42 113.55 108.93 1jy5 h SER 200 Ca -0.44 0.00 -0.69 0.00 -0.84 0.00 0.00 61.79 59.82 1jy5 h SER 200 Cb 1.28 -0.13 -0.30 0.00 0.14 0.00 0.00 62.40 63.39 1jy5 h SER 200 CO 0.33 0.43 -0.87 -0.76 -1.14 0.00 0.00 176.83 174.82 1jy5 s LEU 201 N -10.20 2.17 0.24 5.07 1.43 -1.26 -2.66 118.68 113.48 1jy5 s LEU 201 Ca -0.13 -0.46 0.05 0.00 -1.03 0.00 0.00 54.13 52.56 1jy5 s LEU 201 Cb 0.14 -1.40 -0.05 0.00 0.03 0.00 0.00 46.19 44.91 1jy5 s LEU 201 CO 0.76 0.27 -0.04 0.68 0.23 0.00 0.00 176.35 178.24 1jy5 s VAL 202 N -0.28 1.31 0.25 -1.59 -7.23 0.32 -4.72 120.40 108.47 1jy5 s VAL 202 Ca 0.00 -2.08 0.10 0.00 -1.81 0.00 0.00 61.98 58.19 1jy5 s VAL 202 Cb -0.13 -2.35 -0.05 0.00 0.56 0.00 0.00 36.38 34.41 1jy5 s VAL 202 CO 0.03 -0.35 -0.16 -0.94 -0.31 0.00 0.00 175.10 173.37 1jy5 s SER 203 N -3.35 3.08 -0.64 4.85 1.04 -1.24 -0.56 113.70 116.87 1jy5 s SER 203 Ca 0.28 -1.04 0.06 0.00 0.48 0.00 0.00 55.95 55.72 1jy5 s SER 203 Cb 0.04 -0.22 0.21 0.00 0.10 0.00 0.00 66.02 66.16 1jy5 s SER 203 CO 0.09 -0.09 0.60 0.18 0.98 0.00 0.00 173.24 175.00 1jy5 n LEU 204 N -0.51 2.95 -4.64 2.42 4.77 -1.26 -2.01 117.00 118.72 1jy5 n LEU 204 Ca -0.06 -5.23 -0.37 0.00 -0.03 0.00 0.00 56.01 50.32 1jy5 n LEU 204 Cb 0.60 -0.54 0.07 0.00 -2.33 0.00 0.00 43.42 41.22 1jy5 n LEU 204 CO 0.37 1.92 0.61 -0.81 -1.33 0.00 0.00 177.39 178.15 1jy5 n PRO 205 N 1.49 0.75 -3.42 3.23 -0.04 -1.25 -0.38 135.00 135.37 1jy5 n PRO 205 Ca 0.25 0.31 -0.29 0.00 -0.04 0.00 0.00 63.50 63.72 1jy5 n PRO 205 Cb 0.40 -2.27 -0.04 0.00 -0.04 0.00 0.00 33.50 31.55 1jy5 n PRO 205 CO 0.00 0.00 0.00 0.96 -0.04 0.00 0.00 175.50 176.42 1jy5 s ILE 206 N -1.63 5.04 0.00 0.52 -4.36 -1.26 -4.02 121.20 115.48 1jy5 s ILE 206 Ca 0.76 0.09 0.00 0.00 -0.26 0.00 0.00 60.65 61.24 1jy5 s ILE 206 Cb -0.37 -3.70 0.00 0.00 1.25 0.00 0.00 42.46 39.64 1jy5 s ILE 206 CO 0.47 -0.22 0.00 1.17 0.24 0.00 0.00 174.94 176.60 1jy5 n LYS 207 N -0.65 0.00 -0.33 0.37 0.00 -1.26 -4.71 118.16 111.58 1jy5 n LYS 207 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 58.31 58.29 1jy5 n LYS 207 Cb 0.53 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.56 1jy5 n LYS 207 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49