#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 4.40 0.48 -1.40 2.20 -1.26 -4.96 119.74 119.19 1jy5 s LYS 3 Ca 0.00 2.16 -0.24 0.00 -0.36 0.00 0.00 55.97 57.53 1jy5 s LYS 3 Cb 0.00 -3.09 -0.07 0.00 -1.51 0.00 0.00 37.83 33.16 1jy5 s LYS 3 CO 0.00 -0.13 1.32 -2.00 -0.36 0.00 0.00 175.35 174.18 1jy5 s GLU 4 N -1.72 3.57 0.82 4.03 2.12 -1.26 -4.94 118.70 121.32 1jy5 s GLU 4 Ca 0.48 2.17 -0.12 0.00 0.36 0.00 0.00 54.97 57.87 1jy5 s GLU 4 Cb -0.39 -2.49 0.09 0.00 0.26 0.00 0.00 34.13 31.60 1jy5 s GLU 4 CO 0.51 -0.83 1.16 -0.59 -0.54 0.00 0.00 175.26 174.97 1jy5 s PHE 5 N -1.31 1.94 -0.18 5.30 -0.12 -1.26 -4.99 117.98 117.35 1jy5 s PHE 5 Ca 0.64 1.68 -0.11 0.00 -0.05 0.00 0.00 56.93 59.10 1jy5 s PHE 5 Cb -0.38 -3.34 -0.21 0.00 -0.63 0.00 0.00 43.02 38.45 1jy5 s PHE 5 CO 0.47 -2.56 0.16 -0.25 -0.05 0.00 0.00 175.22 172.99 1jy5 n ASP 6 N -3.53 2.01 -4.02 1.98 10.43 0.15 -4.95 116.55 118.61 1jy5 n ASP 6 Ca 0.12 0.25 -0.09 0.00 2.57 0.00 0.00 54.79 57.63 1jy5 n ASP 6 Cb 0.51 -0.83 -0.06 0.00 1.84 0.00 0.00 41.12 42.58 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 -2.49 0.47 -0.13 1.24 -0.85 -0.91 -4.47 117.35 110.22 1jy5 s TYR 7 Ca -0.28 -0.81 -0.06 0.00 -0.52 0.00 0.00 57.07 55.39 1jy5 s TYR 7 Cb 0.08 0.08 -0.04 0.00 0.38 0.00 0.00 41.96 42.45 1jy5 s TYR 7 CO 0.66 -0.93 0.09 -0.06 -1.52 0.00 0.00 175.55 173.78 1jy5 s PHE 8 N -4.04 3.39 -0.20 -3.49 2.99 0.13 -0.01 117.98 116.76 1jy5 s PHE 8 Ca 0.25 0.32 -0.02 0.00 0.00 0.00 0.00 56.93 57.48 1jy5 s PHE 8 Cb 0.01 -1.96 -0.00 0.00 0.00 0.00 0.00 43.02 41.07 1jy5 s PHE 8 CO 0.09 0.49 -0.09 0.99 -0.00 0.00 0.00 175.22 176.71 1jy5 s THR 9 N -0.53 3.03 -0.41 0.64 2.01 -0.15 -0.25 115.64 119.97 1jy5 s THR 9 Ca 0.11 -0.62 -0.16 0.00 0.31 0.00 0.00 61.69 61.33 1jy5 s THR 9 Cb -0.12 -2.35 0.02 0.00 0.01 0.00 0.00 72.50 70.06 1jy5 s THR 9 CO 0.02 0.46 0.38 -0.22 -0.69 0.00 0.00 174.62 174.57 1jy5 s LEU 10 N 1.32 4.89 -0.16 4.42 2.96 0.12 -0.04 118.68 132.20 1jy5 s LEU 10 Ca 0.04 -0.69 -0.10 0.00 -0.22 0.00 0.00 54.13 53.16 1jy5 s LEU 10 Cb -0.14 -2.31 -0.05 0.00 0.50 0.00 0.00 46.19 44.20 1jy5 s LEU 10 CO -0.05 -0.51 0.16 0.00 -1.32 0.00 0.00 176.35 174.64 1jy5 s ALA 11 N 1.98 3.75 0.01 5.97 0.00 -0.21 -1.50 121.76 131.77 1jy5 s ALA 11 Ca 0.10 -0.62 0.08 0.00 0.00 0.00 0.00 51.96 51.51 1jy5 s ALA 11 Cb -0.18 -2.13 -0.02 0.00 0.00 0.00 0.00 23.12 20.79 1jy5 s ALA 11 CO 0.12 0.33 -0.24 -0.51 0.00 0.00 0.00 175.76 175.46 1jy5 s LEU 12 N -0.20 2.11 -0.13 0.00 1.43 0.17 -1.17 118.68 120.90 1jy5 s LEU 12 Ca 0.12 -0.50 -0.03 0.00 -1.03 0.00 0.00 54.13 52.69 1jy5 s LEU 12 Cb -0.12 -1.22 -0.03 0.00 0.03 0.00 0.00 46.19 44.85 1jy5 s LEU 12 CO 0.02 0.26 -0.01 -0.89 0.23 0.00 0.00 176.35 175.95 1jy5 s THR 13 N -0.69 4.13 -0.49 5.49 2.01 0.12 -1.34 115.64 124.87 1jy5 s THR 13 Ca 0.10 -0.29 -0.26 0.00 0.31 0.00 0.00 61.69 61.55 1jy5 s THR 13 Cb -0.09 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.67 1jy5 s THR 13 CO 0.01 0.54 0.99 0.86 -0.69 0.00 0.00 174.62 176.33 1jy5 s TRP 14 N -0.20 2.86 0.36 4.92 -0.11 -0.12 -0.82 118.94 125.83 1jy5 s TRP 14 Ca 0.05 0.39 0.11 0.00 1.22 0.00 0.00 56.10 57.87 1jy5 s TRP 14 Cb -0.13 -4.12 0.88 0.00 -1.50 0.00 0.00 33.47 28.60 1jy5 s TRP 14 CO 0.02 -1.21 1.84 0.66 -4.62 0.00 0.00 176.95 173.65 1jy5 h SER 15 N 9.18 0.61 -0.23 5.86 4.64 -1.51 -1.76 113.55 130.35 1jy5 h SER 15 Ca -0.24 0.05 -0.04 0.00 -0.47 0.00 0.00 61.79 61.09 1jy5 h SER 15 Cb 1.07 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 63.08 1jy5 h SER 15 CO 1.07 0.27 0.03 1.23 -0.87 0.00 0.00 176.83 178.56 1jy5 h GLY 16 N 0.62 0.52 2.00 -0.77 0.00 -1.80 -2.29 103.07 101.35 1jy5 h GLY 16 Ca 0.48 -0.28 0.00 0.00 0.00 0.00 0.00 47.33 47.53 1jy5 h GLY 16 CO -0.23 0.27 0.00 -0.84 0.00 0.00 0.00 176.54 175.73 1jy5 h THR 17 N 0.47 0.00 0.00 4.70 2.02 -1.51 -3.10 112.91 115.49 1jy5 h THR 17 Ca 0.11 -0.94 0.00 0.00 0.77 0.00 0.00 66.41 66.34 1jy5 h THR 17 Cb 0.26 1.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.61 1jy5 h THR 17 CO 0.00 0.00 -0.47 1.21 0.37 0.00 0.00 175.52 176.63 1jy5 n GLU 18 N -3.03 0.25 -2.06 6.66 4.07 -0.90 -3.97 120.64 121.65 1jy5 n GLU 18 Ca 0.04 0.10 -0.26 0.00 -0.06 0.00 0.00 57.16 56.98 1jy5 n GLU 18 Cb 0.52 -1.68 0.02 0.00 -0.06 0.00 0.00 31.44 30.23 1jy5 n GLU 18 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1jy5 n LEU 20 N -0.67 6.36 -3.77 0.00 4.77 -1.24 -3.86 117.00 118.58 1jy5 n LEU 20 Ca 0.45 -3.64 -0.13 0.00 -0.03 0.00 0.00 56.01 52.66 1jy5 n LEU 20 Cb 0.86 -0.81 -0.11 0.00 -2.33 0.00 0.00 43.42 41.03 1jy5 n LEU 20 CO 0.42 1.09 -0.05 -0.55 -1.33 0.00 0.00 177.39 176.97 1jy5 s SER 25 N -1.49 -0.30 -0.15 -1.43 0.15 -1.26 -5.03 113.70 104.18 1jy5 s SER 25 Ca 0.55 0.59 -0.32 0.00 0.70 0.00 0.00 55.95 57.46 1jy5 s SER 25 Cb 0.47 0.58 0.13 0.00 -1.71 0.00 0.00 66.02 65.50 1jy5 s SER 25 CO 0.09 -0.11 1.12 0.00 1.20 0.00 0.00 173.24 175.55 1jy5 h PRO 27 N 2.09 0.00 -0.16 0.00 0.11 -2.02 -0.93 132.00 131.08 1jy5 h PRO 27 Ca -0.13 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.86 1jy5 h PRO 27 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1jy5 h PRO 27 CO 0.26 0.00 -0.43 1.15 -0.21 0.00 0.00 178.00 178.77 1jy5 h THR 28 N 0.00 1.31 -2.83 -1.15 2.02 -1.94 -3.43 112.91 106.89 1jy5 h THR 28 Ca 0.17 -1.59 -0.56 0.00 0.77 0.00 0.00 66.41 65.21 1jy5 h THR 28 Cb 0.71 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.75 1jy5 h THR 28 CO -0.00 0.49 0.93 0.21 0.37 0.00 0.00 175.52 177.52 1jy5 s ASN 29 N -6.87 6.85 0.00 4.18 3.84 -0.36 -4.15 114.94 118.43 1jy5 s ASN 29 Ca -0.06 1.95 0.29 0.00 0.21 0.00 0.00 52.86 55.26 1jy5 s ASN 29 Cb 0.13 -2.54 1.37 0.00 -0.55 0.00 0.00 41.25 39.66 1jy5 s ASN 29 CO 0.80 -0.79 1.96 0.00 -2.79 0.00 0.00 177.10 176.27 1jy5 n ALA 30 N 6.43 2.62 0.31 1.71 0.00 -0.50 -3.81 120.51 127.27 1jy5 n ALA 30 Ca 0.15 -0.20 0.19 0.00 0.00 0.00 0.00 53.44 53.58 1jy5 n ALA 30 Cb 0.44 -1.42 0.92 0.00 0.00 0.00 0.00 19.45 19.39 1jy5 n ALA 30 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1jy5 h SER 32 N 0.00 0.00 -0.53 0.00 4.64 -1.93 -3.42 113.55 112.31 1jy5 h SER 32 Ca 0.00 -0.06 -0.56 0.00 -0.47 0.00 0.00 61.79 60.70 1jy5 h SER 32 Cb 0.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.28 1jy5 h SER 32 CO 0.00 0.03 1.93 0.54 -0.87 0.00 0.00 176.83 178.46 1jy5 n ARG 33 N -2.54 2.43 0.26 4.77 1.74 -0.96 -4.75 116.66 117.61 1jy5 n ARG 33 Ca 0.03 -2.77 0.10 0.00 -0.77 0.00 0.00 57.85 54.44 1jy5 n ARG 33 Cb 0.49 -3.50 0.70 0.00 -1.02 0.00 0.00 32.46 29.13 1jy5 n ARG 33 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1jy5 h SER 34 N 8.16 0.00 -0.02 0.55 4.64 -1.87 -2.25 113.55 122.77 1jy5 h SER 34 Ca 0.38 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.69 1jy5 h SER 34 Cb 0.85 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.93 1jy5 h SER 34 CO 1.48 0.06 -0.01 1.05 -0.87 0.00 0.00 176.83 178.54 1jy5 h GLU 35 N 0.00 0.11 -6.43 4.77 4.11 -1.99 -3.42 114.58 111.74 1jy5 h GLU 35 Ca -0.00 -0.01 -0.54 0.00 0.07 0.00 0.00 59.36 58.88 1jy5 h GLU 35 Cb 0.12 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.33 1jy5 h GLU 35 CO 0.01 0.14 0.37 0.08 0.07 0.00 0.00 179.01 179.68 1jy5 s VAL 36 N -5.00 4.81 0.55 -1.06 1.01 -0.85 -5.03 120.40 114.84 1jy5 s VAL 36 Ca -0.05 2.06 -0.19 0.00 0.00 0.00 0.00 61.98 63.80 1jy5 s VAL 36 Cb 0.17 -4.32 -0.05 0.00 0.00 0.00 0.00 36.38 32.17 1jy5 s VAL 36 CO 0.69 0.18 1.10 -0.70 0.00 0.00 0.00 175.10 176.37 1jy5 s GLU 37 N 0.88 3.38 0.30 2.72 2.12 -1.26 -4.99 118.70 121.85 1jy5 s GLU 37 Ca 0.51 1.48 -0.29 0.00 0.36 0.00 0.00 54.97 57.04 1jy5 s GLU 37 Cb -0.21 -2.02 -0.10 0.00 0.26 0.00 0.00 34.13 32.06 1jy5 s GLU 37 CO 0.28 -0.80 1.21 0.99 -0.54 0.00 0.00 175.26 176.41 1jy5 s THR 38 N -1.96 3.08 -1.63 -1.70 2.01 -1.26 -4.96 115.64 109.22 1jy5 s THR 38 Ca 0.70 1.08 0.00 0.00 0.31 0.00 0.00 61.69 63.78 1jy5 s THR 38 Cb -0.21 -3.69 0.00 0.00 0.01 0.00 0.00 72.50 68.61 1jy5 s THR 38 CO 0.28 0.25 0.00 0.61 -0.69 0.00 0.00 174.62 175.08 1jy5 n GLY 39 N 1.05 -1.35 3.75 4.40 0.00 -1.26 -4.93 105.19 106.84 1jy5 n GLY 39 Ca -0.00 -0.97 -0.40 0.00 0.00 0.00 0.00 46.02 44.65 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 -2.84 3.82 0.29 1.61 0.40 -1.26 -1.25 117.98 118.76 1jy5 s PHE 40 Ca 0.00 1.65 0.05 0.00 -0.60 0.00 0.00 56.93 58.04 1jy5 s PHE 40 Cb 0.00 -2.89 -0.06 0.00 0.51 0.00 0.00 43.02 40.58 1jy5 s PHE 40 CO 0.00 0.33 -0.01 0.95 0.70 0.00 0.00 175.22 177.18 1jy5 s THR 41 N -0.40 1.45 0.00 0.64 -4.23 -0.00 -4.91 115.64 108.19 1jy5 s THR 41 Ca 0.41 -2.07 -0.30 0.00 -1.18 0.00 0.00 61.69 58.55 1jy5 s THR 41 Cb -0.22 -2.57 -0.05 0.00 1.34 0.00 0.00 72.50 71.00 1jy5 s THR 41 CO 0.27 -0.20 1.25 -0.63 -0.54 0.00 0.00 174.62 174.76 1jy5 s ILE 42 N -3.13 4.04 -0.20 2.99 1.01 0.13 0.12 121.20 126.14 1jy5 s ILE 42 Ca 0.32 1.42 -0.18 0.00 0.00 0.00 0.00 60.65 62.21 1jy5 s ILE 42 Cb 0.06 -3.91 -0.15 0.00 0.01 0.00 0.00 42.46 38.47 1jy5 s ILE 42 CO 0.13 0.04 0.06 1.17 0.00 0.00 0.00 174.94 176.34 1jy5 n LYS 43 N 4.75 0.55 -3.74 2.79 3.00 -0.31 -4.60 118.16 120.59 1jy5 n LYS 43 Ca 0.11 0.52 0.04 0.00 -0.00 0.00 0.00 58.31 58.98 1jy5 n LYS 43 Cb 0.46 -1.70 0.00 0.00 0.00 0.00 0.00 35.03 33.79 1jy5 n LYS 43 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.40 177.60 1jy5 s GLY 44 N -4.83 -0.40 -0.24 3.14 0.00 -1.00 -4.99 107.32 99.01 1jy5 s GLY 44 Ca -0.28 0.66 0.02 0.00 0.00 0.00 0.00 44.72 45.12 1jy5 s GLY 44 CO 0.51 2.82 -0.11 -2.27 0.00 0.00 0.00 173.10 174.06 1jy5 s LEU 45 N -3.38 3.03 -0.23 0.66 2.96 -1.26 -1.04 118.68 119.42 1jy5 s LEU 45 Ca 0.22 -1.23 -0.06 0.00 -0.22 0.00 0.00 54.13 52.84 1jy5 s LEU 45 Cb 0.05 -1.43 -0.02 0.00 0.50 0.00 0.00 46.19 45.28 1jy5 s LEU 45 CO -0.05 -0.18 0.02 0.26 -1.32 0.00 0.00 176.35 175.08 1jy5 s TRP 46 N 1.21 3.03 0.00 5.38 0.51 0.95 -4.64 118.94 125.38 1jy5 s TRP 46 Ca -0.06 -0.60 -0.30 0.00 -2.12 0.00 0.00 56.10 53.01 1jy5 s TRP 46 Cb -0.19 -2.16 -0.05 0.00 -0.81 0.00 0.00 33.47 30.26 1jy5 s TRP 46 CO -0.06 -0.39 1.29 -2.14 -0.51 0.00 0.00 176.95 175.13 1jy5 s PRO 47 N 1.43 4.34 0.28 4.98 0.02 -1.26 -0.98 135.00 143.81 1jy5 s PRO 47 Ca 0.05 1.83 0.05 0.00 0.02 0.00 0.00 61.00 62.95 1jy5 s PRO 47 Cb -0.15 -3.50 -0.06 0.00 0.02 0.00 0.00 34.50 30.82 1jy5 s PRO 47 CO 0.01 -0.46 0.00 -0.51 -0.33 0.00 0.00 177.00 175.71 1jy5 s ASP 48 N 1.53 2.35 0.02 2.53 1.01 0.99 -4.24 116.67 120.85 1jy5 s ASP 48 Ca 0.60 -1.27 0.02 0.00 0.71 0.00 0.00 52.55 52.61 1jy5 s ASP 48 Cb -0.29 -0.09 -0.04 0.00 1.01 0.00 0.00 42.92 43.52 1jy5 s ASP 48 CO 0.26 -0.49 0.03 -0.31 0.21 0.00 0.00 175.17 174.86 1jy5 s TYR 49 N -3.24 3.12 0.53 4.23 4.12 -0.43 0.32 117.35 126.00 1jy5 s TYR 49 Ca 0.32 0.09 0.20 0.00 0.02 0.00 0.00 57.07 57.71 1jy5 s TYR 49 Cb 0.06 -1.66 1.38 0.00 -1.52 0.00 0.00 41.96 40.22 1jy5 s TYR 49 CO 0.12 0.49 2.12 -0.44 0.02 0.00 0.00 175.55 177.86 1jy5 h ASP 50 N 4.05 0.00 0.00 2.29 3.32 -1.95 -2.21 116.42 121.92 1jy5 h ASP 50 Ca -0.49 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.56 1jy5 h ASP 50 Cb 1.17 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.72 1jy5 h ASP 50 CO 0.60 0.00 0.00 -0.90 -1.72 0.00 0.00 179.24 177.22 1jy5 n ASP 51 N -4.38 0.00 0.00 6.45 3.85 -1.26 -4.86 116.55 116.35 1jy5 n ASP 51 Ca 0.00 -1.34 0.00 0.00 -0.71 0.00 0.00 54.79 52.74 1jy5 n ASP 51 Cb 0.23 0.00 0.00 0.00 -1.35 0.00 0.00 41.12 40.00 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 0.63 0.68 2.52 6.12 0.00 -0.83 -5.06 105.19 109.26 1jy5 n GLY 52 Ca 0.12 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.45 2.61 -2.24 -1.26 -4.95 114.28 102.99 1jy5 n THR 53 Ca 0.00 -1.36 -0.13 0.00 -2.27 0.00 0.00 64.05 60.29 1jy5 n THR 53 Cb 0.00 -0.40 -0.03 0.00 -2.10 0.00 0.00 70.33 67.80 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 -1.61 -0.55 0.45 4.78 -2.14 -1.26 -1.32 118.94 117.29 1jy5 s TRP 54 Ca 0.29 0.52 -0.21 0.00 2.66 0.00 0.00 56.10 59.35 1jy5 s TRP 54 Cb -0.02 0.52 -0.09 0.00 -3.10 0.00 0.00 33.47 30.77 1jy5 s TRP 54 CO 0.18 -0.76 1.01 -1.25 -2.66 0.00 0.00 176.95 173.47 1jy5 s PRO 55 N -3.03 4.01 -0.02 3.25 0.04 -1.26 -4.96 135.00 133.03 1jy5 s PRO 55 Ca -0.02 1.30 -0.11 0.00 0.04 0.00 0.00 61.00 62.21 1jy5 s PRO 55 Cb -0.01 -2.20 0.02 0.00 0.04 0.00 0.00 34.50 32.35 1jy5 s PRO 55 CO -0.07 -0.24 0.25 -1.54 0.04 0.00 0.00 177.00 175.44 1jy5 s SER 56 N -1.99 -0.13 -1.24 6.66 1.04 -1.26 -4.87 113.70 111.90 1jy5 s SER 56 Ca 0.64 0.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.06 1jy5 s SER 56 Cb -0.15 0.32 -0.01 0.00 0.10 0.00 0.00 66.02 66.28 1jy5 s SER 56 CO 0.19 -0.36 0.70 0.00 0.98 0.00 0.00 173.24 174.75 1jy5 s GLU 59 N -5.60 2.57 0.00 0.00 0.41 -1.26 -4.80 118.70 110.01 1jy5 s GLU 59 Ca 0.63 1.63 0.00 0.00 -0.41 0.00 0.00 54.97 56.82 1jy5 s GLU 59 Cb -0.10 -1.90 0.00 0.00 -1.78 0.00 0.00 34.13 30.35 1jy5 s GLU 59 CO 0.49 -1.48 0.00 0.41 -0.49 0.00 0.00 175.26 174.20 1jy5 n GLY 60 N 0.08 2.99 3.74 -1.39 0.00 -1.26 -4.70 105.19 104.66 1jy5 n GLY 60 Ca 0.12 -1.21 -0.38 0.00 0.00 0.00 0.00 46.02 44.56 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 2.63 0.75 4.61 0.00 -1.26 -4.97 121.76 121.53 1jy5 s ALA 61 Ca 0.00 1.25 -0.12 0.00 0.00 0.00 0.00 51.96 53.09 1jy5 s ALA 61 Cb 0.00 -3.55 0.05 0.00 0.00 0.00 0.00 23.12 19.62 1jy5 s ALA 61 CO 0.00 -1.42 1.10 -1.59 0.00 0.00 0.00 175.76 173.85 1jy5 s LYS 62 N -3.12 2.33 0.08 0.00 -2.85 -1.26 -4.90 119.74 110.02 1jy5 s LYS 62 Ca 0.76 1.26 -0.35 0.00 -1.00 0.00 0.00 55.97 56.64 1jy5 s LYS 62 Cb -0.38 -1.90 -0.14 0.00 -2.06 0.00 0.00 37.83 33.35 1jy5 s LYS 62 CO 0.43 -1.59 1.62 0.98 0.10 0.00 0.00 175.35 176.88 1jy5 n TYR 63 N -3.25 2.17 -3.66 1.78 9.36 -1.26 -4.95 117.16 117.34 1jy5 n TYR 63 Ca 0.10 0.27 -0.30 0.00 3.32 0.00 0.00 57.90 61.29 1jy5 n TYR 63 Cb 0.53 -2.54 -0.14 0.00 -0.63 0.00 0.00 39.34 36.56 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 1.66 3.75 0.58 2.98 3.68 -1.26 -4.99 116.67 123.07 1jy5 s ASP 64 Ca 0.83 -1.83 0.30 0.00 2.13 0.00 0.00 52.55 53.98 1jy5 s ASP 64 Cb -0.74 -0.75 1.42 0.00 -1.45 0.00 0.00 42.92 41.40 1jy5 s ASP 64 CO 0.43 -0.38 1.82 0.06 0.13 0.00 0.00 175.17 177.23 1jy5 h GLN 65 N 7.75 0.00 -0.57 4.34 -0.00 -1.98 0.13 115.11 124.78 1jy5 h GLN 65 Ca -0.10 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 58.51 1jy5 h GLN 65 Cb 0.99 0.00 -0.03 0.00 -0.00 0.00 0.00 27.48 28.44 1jy5 h GLN 65 CO 0.44 0.00 0.20 -0.91 -0.00 0.00 0.00 178.83 178.57 1jy5 h ASN 66 N 0.00 0.77 0.08 0.06 2.35 -2.00 -2.05 115.58 114.79 1jy5 h ASN 66 Ca 0.30 -0.11 -0.01 0.00 -0.55 0.00 0.00 56.30 55.93 1jy5 h ASN 66 Cb 1.53 -0.20 -0.00 0.00 0.05 0.00 0.00 38.32 39.70 1jy5 h ASN 66 CO -0.00 0.71 -0.07 -0.33 -1.65 0.00 0.00 177.43 176.09 1jy5 h GLU 67 N 0.82 0.00 -0.10 0.81 4.39 -1.17 -2.90 114.58 116.44 1jy5 h GLU 67 Ca 0.19 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.88 1jy5 h GLU 67 Cb 0.20 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.84 1jy5 h GLU 67 CO -0.01 0.07 -0.04 0.44 -1.16 0.00 0.00 179.01 178.30 1jy5 n ILE 68 N -4.38 2.07 -0.35 3.13 -5.35 -0.96 -4.58 119.36 108.94 1jy5 n ILE 68 Ca -0.03 -2.26 0.11 0.00 -0.27 0.00 0.00 62.75 60.30 1jy5 n ILE 68 Cb 0.15 -0.25 0.29 0.00 -1.74 0.00 0.00 39.64 38.09 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 0.66 0.84 0.54 7.28 4.64 -1.17 0.25 113.55 126.58 1jy5 h SER 69 Ca 0.01 0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1jy5 h SER 69 Cb 1.17 -0.08 0.00 0.00 -0.31 0.00 0.00 62.40 63.18 1jy5 h SER 69 CO 0.09 0.36 0.00 2.30 -0.87 0.00 0.00 176.83 178.71 1jy5 n ILE 70 N -4.70 0.50 0.94 0.95 -5.35 -1.26 -1.95 119.36 108.48 1jy5 n ILE 70 Ca 0.22 0.12 0.11 0.00 -0.27 0.00 0.00 62.75 62.93 1jy5 n ILE 70 Cb 0.49 -0.78 0.02 0.00 -1.74 0.00 0.00 39.64 37.62 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 -1.39 2.14 -0.26 7.28 4.77 0.06 -4.64 117.00 124.95 1jy5 n LEU 71 Ca 0.07 -0.81 0.07 0.00 -0.03 0.00 0.00 56.01 55.31 1jy5 n LEU 71 Cb 0.20 0.00 0.21 0.00 -2.33 0.00 0.00 43.42 41.49 1jy5 n LEU 71 CO 0.17 0.39 0.96 0.77 -1.33 0.00 0.00 177.39 178.35 1jy5 h SER 72 N 2.73 0.08 -0.52 -1.43 4.64 -1.19 0.15 113.55 118.02 1jy5 h SER 72 Ca 0.00 0.15 -0.09 0.00 -0.47 0.00 0.00 61.79 61.38 1jy5 h SER 72 Cb 0.76 0.18 -0.02 0.00 -0.31 0.00 0.00 62.40 63.01 1jy5 h SER 72 CO 0.00 -0.03 -0.03 0.78 -0.87 0.00 0.00 176.83 176.69 1jy5 h ASN 73 N 0.30 0.92 -0.32 4.97 2.35 -1.82 -0.74 115.58 121.25 1jy5 h ASN 73 Ca 0.44 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.69 1jy5 h ASN 73 Cb 0.77 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 1jy5 h ASN 73 CO -0.51 1.02 -0.50 0.44 -1.65 0.00 0.00 177.43 176.22 1jy5 h ASP 74 N 0.80 0.99 0.57 5.81 3.32 -1.67 -2.29 116.42 123.95 1jy5 h ASP 74 Ca 0.14 -0.51 -0.11 0.00 0.02 0.00 0.00 57.03 56.57 1jy5 h ASP 74 Cb 0.56 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.81 1jy5 h ASP 74 CO 0.03 1.31 -0.55 -0.07 -1.72 0.00 0.00 179.24 178.25 1jy5 h LEU 75 N 0.70 0.00 -0.67 1.55 3.38 -0.69 0.35 115.31 119.93 1jy5 h LEU 75 Ca 0.03 0.00 -0.14 0.00 0.09 0.00 0.00 57.88 57.85 1jy5 h LEU 75 Cb 1.11 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.85 1jy5 h LEU 75 CO 0.12 0.55 -0.60 -1.28 0.09 0.00 0.00 178.44 177.31 1jy5 h SER 76 N 0.00 0.26 0.14 -0.43 0.87 -1.05 -1.39 113.55 111.94 1jy5 h SER 76 Ca -0.01 -0.15 -0.36 0.00 -1.23 0.00 0.00 61.79 60.05 1jy5 h SER 76 Cb 0.98 -0.07 -0.04 0.00 -0.44 0.00 0.00 62.40 62.83 1jy5 h SER 76 CO 0.07 0.80 -2.09 1.17 -0.53 0.00 0.00 176.83 176.25 1jy5 n LYS 77 N -3.87 0.72 0.00 2.24 4.81 -0.87 -4.14 118.16 117.04 1jy5 n LYS 77 Ca -0.02 0.23 0.08 0.00 -0.87 0.00 0.00 58.31 57.72 1jy5 n LYS 77 Cb 0.61 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.93 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 -3.33 0.00 -2.58 5.64 4.02 0.12 -4.50 117.16 116.52 1jy5 n TYR 78 Ca -0.33 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.41 1jy5 n TYR 78 Cb 1.04 0.00 0.02 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 -0.99 1.96 -1.75 -0.72 -0.00 -0.53 0.17 117.44 115.58 1jy5 n TRP 79 Ca 0.04 -2.78 -0.29 0.00 -0.00 0.00 0.00 57.50 54.47 1jy5 n TRP 79 Cb 0.29 -0.27 0.11 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 -3.36 1.62 0.05 5.87 0.02 -1.20 -4.71 135.00 133.30 1jy5 s PRO 80 Ca 0.35 0.19 0.01 0.00 0.02 0.00 0.00 61.00 61.57 1jy5 s PRO 80 Cb 0.42 -1.90 -0.04 0.00 0.02 0.00 0.00 34.50 33.00 1jy5 s PRO 80 CO -0.04 -1.85 0.10 0.45 -0.33 0.00 0.00 177.00 175.34 1jy5 s SER 81 N -4.34 5.74 -0.33 2.53 0.15 -1.26 -4.94 113.70 111.25 1jy5 s SER 81 Ca 0.63 0.10 0.06 0.00 0.70 0.00 0.00 55.95 57.44 1jy5 s SER 81 Cb -0.13 -1.63 0.46 0.00 -1.71 0.00 0.00 66.02 63.01 1jy5 s SER 81 CO 0.51 0.21 1.30 -1.22 1.20 0.00 0.00 173.24 175.24 1jy5 n TYR 82 N 0.68 2.65 -3.47 3.44 4.02 -1.26 -1.40 117.16 121.81 1jy5 n TYR 82 Ca -0.09 -2.27 -0.11 0.00 -0.01 0.00 0.00 57.90 55.42 1jy5 n TYR 82 Cb 0.52 -0.48 -0.02 0.00 -0.02 0.00 0.00 39.34 39.34 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 -3.34 -0.50 -0.20 7.72 0.15 -1.26 -4.89 113.70 111.38 1jy5 s SER 83 Ca 0.52 -0.05 0.12 0.00 0.70 0.00 0.00 55.95 57.24 1jy5 s SER 83 Cb 0.42 0.56 -0.20 0.00 -1.71 0.00 0.00 66.02 65.08 1jy5 s SER 83 CO 0.03 -0.91 -0.02 0.00 1.20 0.00 0.00 173.24 173.53 1jy5 s PRO 85 N -2.45 4.31 0.48 0.00 0.04 -1.26 -4.94 135.00 131.18 1jy5 s PRO 85 Ca -0.16 2.23 -0.24 0.00 0.04 0.00 0.00 61.00 62.86 1jy5 s PRO 85 Cb 0.06 -3.13 -0.07 0.00 0.04 0.00 0.00 34.50 31.40 1jy5 s PRO 85 CO 0.68 -0.35 1.41 0.45 0.04 0.00 0.00 177.00 179.23 1jy5 s SER 86 N 0.26 5.70 0.52 6.66 0.15 -1.26 -5.02 113.70 120.70 1jy5 s SER 86 Ca 0.57 2.87 0.04 0.00 0.70 0.00 0.00 55.95 60.13 1jy5 s SER 86 Cb -0.40 -2.65 0.04 0.00 -1.71 0.00 0.00 66.02 61.30 1jy5 s SER 86 CO 0.43 -1.29 0.73 -0.94 1.20 0.00 0.00 173.24 173.36 1jy5 s SER 87 N -0.64 5.32 0.02 5.45 1.04 -1.26 -4.90 113.70 118.72 1jy5 s SER 87 Ca 0.64 -0.22 -0.02 0.00 0.48 0.00 0.00 55.95 56.83 1jy5 s SER 87 Cb -0.43 -0.67 -0.01 0.00 0.10 0.00 0.00 66.02 65.01 1jy5 s SER 87 CO 0.54 -1.08 0.02 -0.94 0.98 0.00 0.00 173.24 172.75 1jy5 s SER 88 N -4.44 0.18 -0.16 7.02 1.04 -1.26 0.16 113.70 116.24 1jy5 s SER 88 Ca 0.57 -0.41 -0.29 0.00 0.48 0.00 0.00 55.95 56.30 1jy5 s SER 88 Cb -0.10 0.13 0.12 0.00 0.10 0.00 0.00 66.02 66.27 1jy5 s SER 88 CO 0.37 -0.32 0.95 0.00 0.98 0.00 0.00 173.24 175.22 1jy5 s ALA 89 N -1.43 -1.91 -1.46 5.32 0.00 -0.28 -4.95 121.76 117.05 1jy5 s ALA 89 Ca -0.16 1.60 -0.04 0.00 0.00 0.00 0.00 51.96 53.36 1jy5 s ALA 89 Cb -0.09 -0.72 0.02 0.00 0.00 0.00 0.00 23.12 22.33 1jy5 s ALA 89 CO -0.00 -0.31 0.32 0.00 0.00 0.00 0.00 175.76 175.77 1jy5 n GLY 91 N -1.19 0.75 3.39 0.00 0.00 -1.26 -5.07 105.19 101.82 1jy5 n GLY 91 Ca -0.13 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.51 -0.48 0.55 1.61 1.04 -1.05 -5.15 113.70 107.72 1jy5 s SER 92 Ca 0.00 -0.08 -0.18 0.00 0.48 0.00 0.00 55.95 56.17 1jy5 s SER 92 Cb 0.00 0.57 -0.05 0.00 0.10 0.00 0.00 66.02 66.63 1jy5 s SER 92 CO 0.00 -0.94 1.06 -0.36 0.98 0.00 0.00 173.24 173.98 1jy5 s PHE 93 N -3.75 2.94 0.00 5.02 0.40 -1.26 -1.13 117.98 120.20 1jy5 s PHE 93 Ca 0.01 1.54 0.03 0.00 -0.60 0.00 0.00 56.93 57.91 1jy5 s PHE 93 Cb -0.00 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.43 1jy5 s PHE 93 CO -0.13 -1.10 -0.06 -0.51 0.70 0.00 0.00 175.22 174.12 1jy5 s ASP 94 N -2.39 4.64 0.38 1.36 1.01 0.12 -4.88 116.67 116.92 1jy5 s ASP 94 Ca 0.66 -0.14 0.27 0.00 0.71 0.00 0.00 52.55 54.05 1jy5 s ASP 94 Cb -0.17 -1.09 0.96 0.00 1.01 0.00 0.00 42.92 43.63 1jy5 s ASP 94 CO 0.30 0.28 1.80 0.00 0.21 0.00 0.00 175.17 177.76 1jy5 h ALA 95 N 4.52 1.00 -2.61 5.23 0.00 -1.96 -3.36 119.26 122.09 1jy5 h ALA 95 Ca -0.48 0.00 0.12 0.00 0.00 0.00 0.00 54.91 54.55 1jy5 h ALA 95 Cb 1.17 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1jy5 h ALA 95 CO 0.54 0.00 0.38 -1.54 0.00 0.00 0.00 179.25 178.63 1jy5 s SER 96 N -5.15 -0.24 0.44 0.00 1.04 -1.26 -5.02 113.70 103.51 1jy5 s SER 96 Ca 0.05 -0.42 0.16 0.00 0.48 0.00 0.00 55.95 56.21 1jy5 s SER 96 Cb 0.09 0.57 1.01 0.00 0.10 0.00 0.00 66.02 67.79 1jy5 s SER 96 CO 0.53 -1.04 1.98 -2.24 0.98 0.00 0.00 173.24 173.45 1jy5 h ASP 97 N 2.00 0.00 -0.16 7.02 2.03 -1.93 -1.65 116.42 123.72 1jy5 h ASP 97 Ca -0.23 0.00 -0.05 0.00 -0.73 0.00 0.00 57.03 56.03 1jy5 h ASP 97 Cb 1.24 0.00 -0.00 0.00 -0.83 0.00 0.00 39.33 39.74 1jy5 h ASP 97 CO 0.26 0.20 -0.08 -0.07 -1.03 0.00 0.00 179.24 178.52 1jy5 h LEU 98 N 0.00 0.35 -1.15 0.15 3.38 -1.95 -0.81 115.31 115.28 1jy5 h LEU 98 Ca -0.00 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.52 1jy5 h LEU 98 Cb 0.37 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1jy5 h LEU 98 CO 0.03 0.68 0.16 0.00 0.09 0.00 0.00 178.44 179.40 1jy5 h ALA 99 N 0.68 1.32 0.16 1.53 0.00 -1.86 -0.57 119.26 120.52 1jy5 h ALA 99 Ca 0.04 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.77 1jy5 h ALA 99 Cb 0.55 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 18.13 1jy5 h ALA 99 CO 0.02 0.49 -0.08 -0.92 0.00 0.00 0.00 179.25 178.77 1jy5 h TYR 100 N 0.74 -0.20 -0.27 0.00 3.20 -1.13 -1.76 116.97 117.55 1jy5 h TYR 100 Ca 0.17 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 61.94 1jy5 h TYR 100 Cb 0.22 0.07 -0.01 0.00 1.54 0.00 0.00 36.73 38.54 1jy5 h TYR 100 CO 0.01 0.04 -0.24 0.93 -1.64 0.00 0.00 178.16 177.26 1jy5 h GLU 101 N -0.42 0.51 0.23 1.82 4.39 -1.00 -1.19 114.58 118.93 1jy5 h GLU 101 Ca -0.02 -0.19 -0.01 0.00 0.34 0.00 0.00 59.36 59.47 1jy5 h GLU 101 Cb 0.33 -0.03 0.00 0.00 -0.10 0.00 0.00 28.75 28.95 1jy5 h GLU 101 CO 0.04 0.72 -0.11 2.35 -1.16 0.00 0.00 179.01 180.84 1jy5 h TRP 102 N 0.46 -0.29 -0.04 4.33 2.91 -1.07 0.26 115.95 122.50 1jy5 h TRP 102 Ca 0.07 -0.01 0.01 0.00 1.13 0.00 0.00 58.89 60.09 1jy5 h TRP 102 Cb 0.66 0.10 -0.01 0.00 -0.51 0.00 0.00 29.16 29.40 1jy5 h TRP 102 CO 0.02 0.01 -0.00 0.00 -1.03 0.00 0.00 178.44 177.45 1jy5 h ALA 103 N 0.08 0.03 -0.17 2.65 0.00 -1.28 0.38 119.26 120.95 1jy5 h ALA 103 Ca -0.03 0.01 -0.17 0.00 0.00 0.00 0.00 54.91 54.72 1jy5 h ALA 103 Cb 0.44 0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.25 1jy5 h ALA 103 CO 0.05 -0.49 -0.54 -0.22 0.00 0.00 0.00 179.25 178.06 1jy5 h LYS 104 N 0.01 0.66 0.00 0.00 3.64 -1.26 -3.27 116.57 116.36 1jy5 h LYS 104 Ca 0.02 -0.49 0.00 0.00 -1.27 0.00 0.00 60.65 58.91 1jy5 h LYS 104 Cb 0.02 0.09 0.00 0.00 -0.41 0.00 0.00 32.23 31.93 1jy5 h LYS 104 CO -0.03 1.11 -0.90 0.72 -2.27 0.00 0.00 179.45 178.08 1jy5 n HIS 105 N -4.14 0.00 -0.23 1.91 8.25 0.33 -1.05 115.22 120.28 1jy5 n HIS 105 Ca -0.07 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.41 1jy5 n HIS 105 Cb 0.62 0.01 0.13 0.00 1.12 0.00 0.00 29.99 31.87 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 0.00 1.01 1.86 -1.41 0.00 0.28 -0.36 103.07 104.45 1jy5 h GLY 106 Ca 0.00 -0.19 0.02 0.00 0.00 0.00 0.00 47.33 47.16 1jy5 h GLY 106 CO 0.00 0.02 0.05 -0.91 0.00 0.00 0.00 176.54 175.70 1jy5 h THR 107 N 0.54 0.85 -0.01 4.70 1.35 -1.18 -1.29 112.91 117.85 1jy5 h THR 107 Ca 0.34 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.20 1jy5 h THR 107 Cb 0.39 0.96 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1jy5 h THR 107 CO -0.29 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 174.98 1jy5 n SER 109 N -0.66 0.47 -4.82 0.00 3.41 -0.49 -4.73 113.62 106.79 1jy5 n SER 109 Ca 0.21 -0.44 -0.33 0.00 -0.26 0.00 0.00 58.87 58.05 1jy5 n SER 109 Cb 0.17 -0.07 -0.04 0.00 -0.26 0.00 0.00 64.21 64.01 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 -2.59 6.57 0.00 4.04 1.04 -1.17 -1.00 113.70 120.59 1jy5 s SER 110 Ca 0.25 1.69 0.30 0.00 0.48 0.00 0.00 55.95 58.66 1jy5 s SER 110 Cb 0.20 -2.53 1.39 0.00 0.10 0.00 0.00 66.02 65.17 1jy5 s SER 110 CO 0.51 -0.62 1.95 -0.81 0.98 0.00 0.00 173.24 175.25 1jy5 n PRO 111 N -1.26 0.85 -0.07 4.02 -0.04 -1.26 -4.85 135.00 132.39 1jy5 n PRO 111 Ca 0.07 -0.25 -0.07 0.00 -0.04 0.00 0.00 63.50 63.21 1jy5 n PRO 111 Cb 0.54 -1.49 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 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 0.60 0.84 -3.46 0.52 2.07 -1.78 -3.35 116.25 111.70 1jy5 h VAL 112 Ca 0.00 -0.04 -0.67 0.00 0.82 0.00 0.00 66.70 66.81 1jy5 h VAL 112 Cb 0.29 0.72 -0.31 0.00 -1.52 0.00 0.00 31.29 30.47 1jy5 h VAL 112 CO 0.00 0.02 -0.74 -0.76 0.02 0.00 0.00 177.57 176.11 1jy5 s LEU 113 N -10.36 3.10 0.23 2.57 1.43 -0.17 -5.02 118.68 110.45 1jy5 s LEU 113 Ca -0.13 -0.74 0.26 0.00 -1.03 0.00 0.00 54.13 52.48 1jy5 s LEU 113 Cb 0.11 -1.68 0.77 0.00 0.03 0.00 0.00 46.19 45.42 1jy5 s LEU 113 CO 0.69 -0.10 1.76 1.23 0.23 0.00 0.00 176.35 180.17 1jy5 h GLY 114 N 8.04 0.00 -1.77 -3.19 0.00 -1.85 -3.09 103.07 101.21 1jy5 h GLY 114 Ca -0.35 0.00 -0.02 0.00 0.00 0.00 0.00 47.33 46.95 1jy5 h GLY 114 CO 0.59 0.00 0.11 0.54 0.00 0.00 0.00 176.54 177.78 1jy5 s ASN 115 N -4.68 -0.02 0.21 0.19 2.20 -1.26 -5.00 114.94 106.59 1jy5 s ASN 115 Ca 0.10 -0.93 -0.09 0.00 -0.94 0.00 0.00 52.86 51.00 1jy5 s ASN 115 Cb 0.12 0.72 0.28 0.00 -2.00 0.00 0.00 41.25 40.37 1jy5 s ASN 115 CO 0.60 -1.39 1.76 1.56 -2.94 0.00 0.00 177.10 176.69 1jy5 h GLN 116 N 2.07 0.44 -0.42 3.55 4.20 -1.94 -0.70 115.11 122.32 1jy5 h GLN 116 Ca -0.25 -0.03 -0.00 0.00 0.06 0.00 0.00 58.65 58.43 1jy5 h GLN 116 Cb 1.25 -0.10 -0.02 0.00 0.30 0.00 0.00 27.48 28.91 1jy5 h GLN 116 CO 0.33 0.29 0.25 -0.92 -0.67 0.00 0.00 178.83 178.11 1jy5 h TYR 117 N 0.46 0.55 -0.57 2.96 3.20 -1.97 -0.68 116.97 120.93 1jy5 h TYR 117 Ca 0.31 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 62.11 1jy5 h TYR 117 Cb 0.35 -0.18 -0.02 0.00 1.54 0.00 0.00 36.73 38.42 1jy5 h TYR 117 CO -0.15 0.40 0.08 0.93 -1.64 0.00 0.00 178.16 177.78 1jy5 h GLU 118 N 0.55 0.91 0.57 1.82 5.08 -1.85 -0.26 114.58 121.41 1jy5 h GLU 118 Ca 0.15 -0.23 -0.03 0.00 -1.00 0.00 0.00 59.36 58.26 1jy5 h GLU 118 Cb 0.01 -0.12 0.01 0.00 0.50 0.00 0.00 28.75 29.15 1jy5 h GLU 118 CO -0.03 0.86 -0.28 -0.92 -1.00 0.00 0.00 179.01 177.64 1jy5 h TYR 119 N 0.86 -0.71 -0.48 4.33 3.20 -0.61 -1.11 116.97 122.45 1jy5 h TYR 119 Ca 0.18 -0.02 -0.10 0.00 3.14 0.00 0.00 58.73 61.93 1jy5 h TYR 119 Cb 0.40 0.24 -0.02 0.00 1.54 0.00 0.00 36.73 38.89 1jy5 h TYR 119 CO 0.02 -0.42 -0.07 0.74 -1.64 0.00 0.00 178.16 176.79 1jy5 h PHE 120 N -0.83 1.00 -0.37 -3.82 -1.00 -1.07 -2.33 116.94 108.52 1jy5 h PHE 120 Ca -0.08 -0.20 -0.10 0.00 2.81 0.00 0.00 57.97 60.40 1jy5 h PHE 120 Cb 0.61 -0.25 -0.02 0.00 3.61 0.00 0.00 35.95 39.91 1jy5 h PHE 120 CO -0.02 0.96 -0.20 0.66 -1.61 0.00 0.00 178.31 178.10 1jy5 h SER 121 N 0.75 0.71 -0.14 2.17 4.64 -1.09 -1.71 113.55 118.88 1jy5 h SER 121 Ca 0.13 -0.24 -0.13 0.00 -0.47 0.00 0.00 61.79 61.08 1jy5 h SER 121 Cb 0.61 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 62.50 1jy5 h SER 121 CO 0.04 0.90 -0.34 0.74 -0.87 0.00 0.00 176.83 177.30 1jy5 h THR 122 N 0.62 1.29 -0.49 2.95 2.02 -1.15 -0.15 112.91 118.00 1jy5 h THR 122 Ca 0.09 -1.48 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 1jy5 h THR 122 Cb 0.67 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 68.49 1jy5 h THR 122 CO 0.05 0.48 0.12 0.74 0.37 0.00 0.00 175.52 177.27 1jy5 h THR 123 N 0.54 1.24 -0.71 3.16 2.02 -1.17 -1.89 112.91 116.10 1jy5 h THR 123 Ca 0.06 -0.85 -0.05 0.00 0.77 0.00 0.00 66.41 66.34 1jy5 h THR 123 Cb 0.84 0.85 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 1jy5 h THR 123 CO 0.07 0.30 0.26 -0.07 0.37 0.00 0.00 175.52 176.46 1jy5 h LEU 124 N 0.67 1.00 -0.06 2.58 4.07 -1.07 -0.90 115.31 121.59 1jy5 h LEU 124 Ca 0.15 -0.19 0.03 0.00 0.08 0.00 0.00 57.88 57.96 1jy5 h LEU 124 Cb 0.33 -0.26 -0.03 0.00 1.08 0.00 0.00 40.66 41.78 1jy5 h LEU 124 CO 0.00 0.91 -0.12 -0.03 -1.08 0.00 0.00 178.44 178.13 1jy5 h MET 125 N 1.02 -0.16 -0.73 1.13 4.05 -0.65 0.16 114.93 119.76 1jy5 h MET 125 Ca 0.23 0.01 -0.03 0.00 -0.28 0.00 0.00 59.70 59.64 1jy5 h MET 125 Cb 0.25 0.04 -0.03 0.00 -0.80 0.00 0.00 31.60 31.05 1jy5 h MET 125 CO -0.01 -0.11 0.35 -0.07 0.23 0.00 0.00 176.91 177.30 1jy5 h LEU 126 N -0.17 0.96 -0.71 3.39 3.38 -1.21 0.04 115.31 121.00 1jy5 h LEU 126 Ca 0.06 -0.14 0.02 0.00 0.09 0.00 0.00 57.88 57.91 1jy5 h LEU 126 Cb 0.25 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.72 1jy5 h LEU 126 CO -0.16 0.83 0.46 0.22 0.09 0.00 0.00 178.44 179.87 1jy5 h TYR 127 N 1.02 0.87 -0.04 1.13 3.20 -0.51 -0.96 116.97 121.68 1jy5 h TYR 127 Ca 0.25 0.02 -0.20 0.00 3.14 0.00 0.00 58.73 61.95 1jy5 h TYR 127 Cb 0.13 -0.29 -0.00 0.00 1.54 0.00 0.00 36.73 38.10 1jy5 h TYR 127 CO 0.01 0.53 -0.81 0.74 -1.64 0.00 0.00 178.16 176.98 1jy5 h PHE 128 N 0.92 0.50 -0.21 -3.82 0.05 -0.41 -3.31 116.94 110.66 1jy5 h PHE 128 Ca 0.27 -0.25 -0.04 0.00 3.82 0.00 0.00 57.97 61.77 1jy5 h PHE 128 Cb -0.06 -0.07 -0.01 0.00 2.00 0.00 0.00 35.95 37.82 1jy5 h PHE 128 CO -0.03 1.02 -0.02 -0.22 -0.18 0.00 0.00 178.31 178.88 1jy5 h LYS 129 N 0.22 0.39 -3.41 1.51 3.64 -0.65 -3.36 116.57 114.92 1jy5 h LYS 129 Ca -0.05 -0.14 -0.73 0.00 -1.27 0.00 0.00 60.65 58.47 1jy5 h LYS 129 Cb 1.41 -0.03 -0.33 0.00 -0.41 0.00 0.00 32.23 32.87 1jy5 h LYS 129 CO 0.14 0.61 0.01 0.71 -2.27 0.00 0.00 179.45 178.65 1jy5 s TYR 130 N -4.86 3.94 -0.77 1.91 1.51 -0.40 -5.01 117.35 113.67 1jy5 s TYR 130 Ca -0.14 -2.90 -0.26 0.00 -1.01 0.00 0.00 57.07 52.76 1jy5 s TYR 130 Cb 0.07 -3.39 0.00 0.00 -0.11 0.00 0.00 41.96 38.53 1jy5 s TYR 130 CO 0.74 -0.80 1.64 1.21 -1.11 0.00 0.00 175.55 177.23 1jy5 s ASN 131 N 0.31 5.71 0.31 2.29 3.84 -1.25 -4.81 114.94 121.34 1jy5 s ASN 131 Ca 0.27 -0.37 0.05 0.00 0.21 0.00 0.00 52.86 53.02 1jy5 s ASN 131 Cb -0.09 -2.55 0.50 0.00 -0.55 0.00 0.00 41.25 38.56 1jy5 s ASN 131 CO -0.11 -2.15 1.76 0.40 -2.79 0.00 0.00 177.10 174.22 1jy5 h ILE 132 N 6.68 1.25 -0.68 -5.21 1.08 -1.95 -2.16 117.51 116.52 1jy5 h ILE 132 Ca -0.13 -1.19 -0.03 0.00 -0.39 0.00 0.00 64.86 63.12 1jy5 h ILE 132 Cb 1.08 1.36 -0.03 0.00 -3.07 0.00 0.00 36.82 36.15 1jy5 h ILE 132 CO 1.27 0.37 0.31 0.28 -0.69 0.00 0.00 178.15 179.69 1jy5 h SER 133 N 0.35 0.89 -0.06 1.72 0.02 -1.93 -1.60 113.55 112.95 1jy5 h SER 133 Ca 0.06 -0.11 -0.18 0.00 -0.84 0.00 0.00 61.79 60.72 1jy5 h SER 133 Cb 0.62 -0.23 -0.00 0.00 0.14 0.00 0.00 62.40 62.93 1jy5 h SER 133 CO 0.04 0.77 -0.62 -0.08 -1.14 0.00 0.00 176.83 175.81 1jy5 h GLU 134 N 0.97 0.67 -0.57 3.45 4.81 -1.88 -1.81 114.58 120.22 1jy5 h GLU 134 Ca 0.23 -0.46 -0.04 0.00 -0.13 0.00 0.00 59.36 58.97 1jy5 h GLU 134 Cb 0.13 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.56 1jy5 h GLU 134 CO -0.03 1.08 0.22 0.82 -0.73 0.00 0.00 179.01 180.37 1jy5 h ILE 135 N 0.50 1.23 -0.22 2.32 2.04 -0.99 -1.74 117.51 120.65 1jy5 h ILE 135 Ca -0.01 -0.72 -0.07 0.00 1.00 0.00 0.00 64.86 65.06 1jy5 h ILE 135 Cb 1.20 0.63 -0.00 0.00 -0.74 0.00 0.00 36.82 37.91 1jy5 h ILE 135 CO 0.12 0.28 -0.14 -0.07 0.00 0.00 0.00 178.15 178.34 1jy5 h LEU 136 N 0.78 0.50 -0.79 1.44 3.38 -1.28 -3.11 115.31 116.23 1jy5 h LEU 136 Ca 0.19 -0.43 0.04 0.00 0.09 0.00 0.00 57.88 57.77 1jy5 h LEU 136 Cb 0.22 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 40.78 1jy5 h LEU 136 CO -0.01 0.83 0.50 0.77 0.09 0.00 0.00 178.44 180.61 1jy5 h SER 137 N 0.18 0.81 0.33 -0.43 4.64 -1.21 0.11 113.55 117.97 1jy5 h SER 137 Ca 0.04 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1jy5 h SER 137 Cb 0.65 -0.17 0.00 0.00 -0.31 0.00 0.00 62.40 62.58 1jy5 h SER 137 CO 0.04 0.54 0.00 -0.62 -0.87 0.00 0.00 176.83 175.92 1jy5 n GLU 138 N -4.62 0.19 -0.17 4.77 1.02 -0.66 -2.12 120.64 119.04 1jy5 n GLU 138 Ca 0.10 0.15 0.06 0.00 -0.02 0.00 0.00 57.16 57.45 1jy5 n GLU 138 Cb 0.11 -1.50 0.15 0.00 -0.02 0.00 0.00 31.44 30.18 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 -1.32 2.90 0.00 1.62 7.64 -0.10 -4.97 113.62 119.40 1jy5 n SER 139 Ca 0.07 -1.98 0.00 0.00 1.01 0.00 0.00 58.87 57.96 1jy5 n SER 139 Cb 0.13 -0.23 0.00 0.00 -1.01 0.00 0.00 64.21 63.11 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 0.52 0.82 3.38 0.23 0.00 -0.90 -5.01 105.19 104.22 1jy5 n GLY 140 Ca 0.11 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.68 1jy5 n GLY 140 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1jy5 s TYR 141 N -2.63 3.27 0.28 1.61 1.51 -0.46 -4.99 117.35 115.94 1jy5 s TYR 141 Ca 0.00 -1.39 0.09 0.00 -1.01 0.00 0.00 57.07 54.76 1jy5 s TYR 141 Cb 0.00 -4.02 -0.04 0.00 -0.11 0.00 0.00 41.96 37.79 1jy5 s TYR 141 CO 0.00 -1.24 0.02 -0.51 -1.11 0.00 0.00 175.55 172.71 1jy5 s LEU 142 N 1.89 3.19 0.31 -1.29 1.43 -1.26 -3.13 118.68 119.83 1jy5 s LEU 142 Ca 0.18 -0.69 -0.29 0.00 -1.03 0.00 0.00 54.13 52.30 1jy5 s LEU 142 Cb -0.15 -1.69 -0.11 0.00 0.03 0.00 0.00 46.19 44.26 1jy5 s LEU 142 CO -0.02 -0.07 1.56 -2.84 0.23 0.00 0.00 176.35 175.21 1jy5 s PRO 143 N -3.71 4.12 -0.24 1.29 0.02 -1.26 -4.71 135.00 130.52 1jy5 s PRO 143 Ca 0.33 2.57 -0.26 0.00 0.02 0.00 0.00 61.00 63.65 1jy5 s PRO 143 Cb -0.05 -3.01 0.10 0.00 0.02 0.00 0.00 34.50 31.55 1jy5 s PRO 143 CO 0.20 -0.60 0.87 0.45 -0.33 0.00 0.00 177.00 177.59 1jy5 s SER 144 N 0.34 -0.57 0.00 2.53 0.15 0.11 -4.90 113.70 111.36 1jy5 s SER 144 Ca 0.61 1.01 0.21 0.00 0.70 0.00 0.00 55.95 58.48 1jy5 s SER 144 Cb -0.47 0.99 0.59 0.00 -1.71 0.00 0.00 66.02 65.41 1jy5 s SER 144 CO 0.51 -0.26 1.49 0.59 1.20 0.00 0.00 173.24 176.78 1jy5 n ASN 145 N 2.07 3.61 0.00 5.45 3.02 -1.26 -3.51 115.26 124.64 1jy5 n ASN 145 Ca -0.14 -1.99 0.00 0.00 -0.03 0.00 0.00 54.58 52.42 1jy5 n ASN 145 Cb 0.56 -0.42 0.00 0.00 -0.61 0.00 0.00 39.78 39.31 1jy5 n ASN 145 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 1jy5 n THR 146 N 1.49 0.00 -2.59 3.41 -2.24 -1.26 -5.08 114.28 108.01 1jy5 n THR 146 Ca 0.22 0.00 -0.38 0.00 -2.27 0.00 0.00 64.05 61.62 1jy5 n THR 146 Cb 0.58 -0.28 -0.05 0.00 -2.10 0.00 0.00 70.33 68.48 1jy5 n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1jy5 s ALA 147 N -1.35 3.23 -0.12 6.98 0.00 -1.26 -5.05 121.76 124.20 1jy5 s ALA 147 Ca 0.00 0.72 0.01 0.00 0.00 0.00 0.00 51.96 52.68 1jy5 s ALA 147 Cb 0.00 -3.26 0.02 0.00 0.00 0.00 0.00 23.12 19.88 1jy5 s ALA 147 CO 0.00 -0.08 -0.13 -1.21 0.00 0.00 0.00 175.76 174.35 1jy5 s GLU 148 N -1.96 2.00 0.20 0.00 2.02 -1.26 -4.56 118.70 115.14 1jy5 s GLU 148 Ca 0.51 -0.46 0.09 0.00 0.02 0.00 0.00 54.97 55.13 1jy5 s GLU 148 Cb -0.25 -1.82 -0.04 0.00 0.10 0.00 0.00 34.13 32.12 1jy5 s GLU 148 CO 0.31 -0.16 -0.08 0.71 0.02 0.00 0.00 175.26 176.06 1jy5 s TYR 149 N 1.29 2.64 0.07 1.61 1.51 0.14 -4.88 117.35 119.73 1jy5 s TYR 149 Ca -0.01 -0.22 -0.30 0.00 -1.01 0.00 0.00 57.07 55.53 1jy5 s TYR 149 Cb -0.14 -1.26 -0.05 0.00 -0.11 0.00 0.00 41.96 40.40 1jy5 s TYR 149 CO -0.05 0.54 1.01 0.15 -1.11 0.00 0.00 175.55 176.09 1jy5 s LYS 150 N -3.00 4.60 0.23 -0.62 1.02 -1.26 -0.03 119.74 120.68 1jy5 s LYS 150 Ca 0.26 1.51 -0.07 0.00 0.02 0.00 0.00 55.97 57.69 1jy5 s LYS 150 Cb -0.08 -3.40 0.27 0.00 -0.52 0.00 0.00 37.83 34.10 1jy5 s LYS 150 CO 0.16 0.03 1.86 0.28 -0.92 0.00 0.00 175.35 176.76 1jy5 h VAL 151 N 4.38 1.08 -0.43 3.17 2.07 -1.67 -1.04 116.25 123.81 1jy5 h VAL 151 Ca -0.42 -0.33 0.09 0.00 0.82 0.00 0.00 66.70 66.86 1jy5 h VAL 151 Cb 1.22 0.03 -0.02 0.00 -1.52 0.00 0.00 31.29 31.00 1jy5 h VAL 151 CO 0.74 0.18 0.29 1.05 0.02 0.00 0.00 177.57 179.85 1jy5 h GLU 152 N 0.96 0.18 -0.12 1.57 -0.00 -1.92 0.24 114.58 115.50 1jy5 h GLU 152 Ca 0.34 -0.01 -0.23 0.00 -0.00 0.00 0.00 59.36 59.46 1jy5 h GLU 152 Cb 0.08 -0.04 0.01 0.00 -0.00 0.00 0.00 28.75 28.80 1jy5 h GLU 152 CO -0.14 0.12 -0.82 0.78 -0.00 0.00 0.00 179.01 178.95 1jy5 h GLY 153 N 0.19 0.80 0.99 1.06 0.00 -1.60 -0.07 103.07 104.43 1jy5 h GLY 153 Ca 0.20 -1.17 -0.11 0.00 0.00 0.00 0.00 47.33 46.25 1jy5 h GLY 153 CO -0.03 1.04 -0.20 -2.22 0.00 0.00 0.00 176.54 175.13 1jy5 h ILE 154 N 0.48 1.29 0.27 2.60 2.04 -0.71 -1.30 117.51 122.17 1jy5 h ILE 154 Ca -0.06 -1.33 -0.01 0.00 1.00 0.00 0.00 64.86 64.46 1jy5 h ILE 154 Cb 1.45 1.39 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 1jy5 h ILE 154 CO 0.16 0.44 -0.17 0.24 0.00 0.00 0.00 178.15 178.82 1jy5 h MET 155 N 0.54 -0.41 -0.82 2.37 2.86 -0.58 -1.98 114.93 116.91 1jy5 h MET 155 Ca 0.07 0.03 -0.00 0.00 -2.06 0.00 0.00 59.70 57.74 1jy5 h MET 155 Cb 0.75 0.09 -0.04 0.00 0.06 0.00 0.00 31.60 32.46 1jy5 h MET 155 CO 0.06 -0.27 0.50 1.03 1.06 0.00 0.00 176.91 179.29 1jy5 h SER 156 N -0.43 0.97 -0.22 1.22 0.87 -0.99 0.11 113.55 115.08 1jy5 h SER 156 Ca -0.02 -0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.48 1jy5 h SER 156 Cb 0.36 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.06 1jy5 h SER 156 CO 0.02 0.74 0.12 0.00 -0.53 0.00 0.00 176.83 177.18 1jy5 h ALA 157 N 1.43 0.29 -0.19 6.23 0.00 -1.00 -0.25 119.26 125.77 1jy5 h ALA 157 Ca 0.30 -0.07 -0.04 0.00 0.00 0.00 0.00 54.91 55.10 1jy5 h ALA 157 Cb -0.07 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 1jy5 h ALA 157 CO -0.06 -0.18 -0.03 0.82 0.00 0.00 0.00 179.25 179.80 1jy5 h ILE 158 N 0.25 1.28 -0.50 0.00 2.04 -0.99 -3.01 117.51 116.58 1jy5 h ILE 158 Ca 0.08 -0.97 0.08 0.00 1.00 0.00 0.00 64.86 65.05 1jy5 h ILE 158 Cb 0.07 1.55 -0.07 0.00 -0.74 0.00 0.00 36.82 37.63 1jy5 h ILE 158 CO -0.01 0.29 0.10 -0.61 0.00 0.00 0.00 178.15 177.93 1jy5 h GLN 159 N 0.07 0.24 0.00 2.37 5.75 -0.65 -0.16 115.11 122.73 1jy5 h GLN 159 Ca 0.05 -0.01 -0.04 0.00 -0.15 0.00 0.00 58.65 58.50 1jy5 h GLN 159 Cb 0.46 -0.05 -0.01 0.00 1.07 0.00 0.00 27.48 28.95 1jy5 h GLN 159 CO 0.02 0.16 -0.19 0.66 -2.65 0.00 0.00 178.83 176.82 1jy5 h SER 160 N 0.24 0.00 0.42 -0.69 4.64 -1.05 0.44 113.55 117.56 1jy5 h SER 160 Ca 0.25 0.00 -0.31 0.00 -0.47 0.00 0.00 61.79 61.26 1jy5 h SER 160 Cb 0.33 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.41 1jy5 h SER 160 CO -0.32 0.19 -1.61 0.00 -0.87 0.00 0.00 176.83 174.21 1jy5 h ALA 161 N 1.81 0.37 0.00 5.18 0.00 -1.18 -3.39 119.26 122.06 1jy5 h ALA 161 Ca -0.00 -1.20 -0.07 0.00 0.00 0.00 0.00 54.91 53.65 1jy5 h ALA 161 Cb 0.53 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.66 1jy5 h ALA 161 CO 0.02 1.23 -2.00 1.28 0.00 0.00 0.00 179.25 179.78 1jy5 n LEU 162 N -3.40 0.06 -0.08 0.00 4.77 -0.16 -4.97 117.00 113.23 1jy5 n LEU 162 Ca -0.18 0.03 -0.01 0.00 -0.03 0.00 0.00 56.01 55.81 1jy5 n LEU 162 Cb 1.04 0.08 -0.00 0.00 -2.33 0.00 0.00 43.42 42.21 1jy5 n LEU 162 CO 0.48 0.08 -0.01 0.54 -1.33 0.00 0.00 177.39 177.15 1jy5 n ARG 163 N -2.38 -0.34 -4.09 3.23 1.74 0.15 -5.00 116.66 109.98 1jy5 n ARG 163 Ca -0.09 0.23 -0.10 0.00 -0.77 0.00 0.00 57.85 57.12 1jy5 n ARG 163 Cb 0.67 -3.61 -0.11 0.00 -1.02 0.00 0.00 32.46 28.40 1jy5 n ARG 163 CO 0.00 0.00 0.00 0.14 -1.52 0.00 0.00 177.63 176.25 1jy5 s VAL 164 N -1.90 0.46 -0.18 1.55 -7.23 -1.24 -5.00 120.40 106.86 1jy5 s VAL 164 Ca 0.00 -1.46 -0.15 0.00 -1.81 0.00 0.00 61.98 58.55 1jy5 s VAL 164 Cb 0.00 -1.07 -0.04 0.00 0.56 0.00 0.00 36.38 35.83 1jy5 s VAL 164 CO 0.00 -0.68 0.36 -0.89 -0.31 0.00 0.00 175.10 173.58 1jy5 s THR 165 N -2.59 5.24 0.72 5.32 2.01 -1.26 -3.98 115.64 121.10 1jy5 s THR 165 Ca -0.01 0.66 -0.10 0.00 0.31 0.00 0.00 61.69 62.55 1jy5 s THR 165 Cb -0.02 -3.70 0.04 0.00 0.01 0.00 0.00 72.50 68.83 1jy5 s THR 165 CO -0.03 0.31 1.08 -2.16 -0.69 0.00 0.00 174.62 173.12 1jy5 s PRO 166 N 0.94 2.53 -0.12 4.92 0.04 -1.26 -4.33 135.00 137.72 1jy5 s PRO 166 Ca 0.18 0.20 -0.01 0.00 0.04 0.00 0.00 61.00 61.41 1jy5 s PRO 166 Cb -0.14 -2.06 -0.02 0.00 0.04 0.00 0.00 34.50 32.32 1jy5 s PRO 166 CO 0.07 -1.16 -0.09 0.08 0.04 0.00 0.00 177.00 175.93 1jy5 s VAL 167 N -3.35 3.45 -0.05 -0.36 1.01 -0.19 -4.93 120.40 115.98 1jy5 s VAL 167 Ca 0.59 -0.53 0.06 0.00 0.00 0.00 0.00 61.98 62.10 1jy5 s VAL 167 Cb -0.11 -2.46 -0.01 0.00 0.00 0.00 0.00 36.38 33.80 1jy5 s VAL 167 CO 0.49 0.53 -0.24 -0.69 0.00 0.00 0.00 175.10 175.19 1jy5 s VAL 168 N 0.10 1.93 0.02 2.92 1.01 -1.26 0.33 120.40 125.46 1jy5 s VAL 168 Ca -0.04 -1.01 0.08 0.00 0.00 0.00 0.00 61.98 61.02 1jy5 s VAL 168 Cb -0.14 -1.63 -0.03 0.00 0.00 0.00 0.00 36.38 34.58 1jy5 s VAL 168 CO 0.04 0.54 -0.25 -0.54 0.00 0.00 0.00 175.10 174.89 1jy5 s LYS 169 N -0.20 1.95 0.27 2.72 -0.14 0.05 -4.58 119.74 119.81 1jy5 s LYS 169 Ca -0.02 -1.02 0.12 0.00 -1.36 0.00 0.00 55.97 53.69 1jy5 s LYS 169 Cb -0.13 -2.04 -0.05 0.00 -1.68 0.00 0.00 37.83 33.94 1jy5 s LYS 169 CO 0.03 0.53 -0.20 0.00 -0.76 0.00 0.00 175.35 174.95 1jy5 s LYS 171 N -3.47 1.45 0.00 0.00 2.20 0.11 -4.82 119.74 115.21 1jy5 s LYS 171 Ca 0.29 -1.88 0.00 0.00 -0.36 0.00 0.00 55.97 54.02 1jy5 s LYS 171 Cb -0.05 -3.08 0.00 0.00 -1.51 0.00 0.00 37.83 33.19 1jy5 s LYS 171 CO 0.14 -0.97 0.00 0.45 -0.36 0.00 0.00 175.35 174.62 1jy5 n SER 172 N 4.17 0.00 0.00 1.43 2.88 -1.26 -1.98 113.62 118.86 1jy5 n SER 172 Ca 0.04 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.58 1jy5 n SER 172 Cb 0.41 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.87 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 1.75 0.00 -4.78 -3.46 2.03 -1.26 -4.90 116.55 105.93 1jy5 n ASP 173 Ca 0.00 -0.16 -0.35 0.00 0.52 0.00 0.00 54.79 54.80 1jy5 n ASP 173 Cb 0.00 0.00 -0.07 0.00 -0.72 0.00 0.00 41.12 40.33 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 0.00 3.59 -0.02 -1.67 0.00 -0.84 -2.02 121.76 120.81 1jy5 s ALA 174 Ca 0.00 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.87 1jy5 s ALA 174 Cb 0.00 -1.66 -0.07 0.00 0.00 0.00 0.00 23.12 21.39 1jy5 s ALA 174 CO 0.00 0.64 1.71 0.08 0.00 0.00 0.00 175.76 178.19 1jy5 s VAL 175 N -1.06 3.39 -0.18 0.00 1.01 -0.48 -0.71 120.40 122.36 1jy5 s VAL 175 Ca 0.18 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.72 1jy5 s VAL 175 Cb -0.12 -3.35 -0.12 0.00 0.00 0.00 0.00 36.38 32.79 1jy5 s VAL 175 CO 0.08 -0.04 -0.16 1.21 0.00 0.00 0.00 175.10 176.19 1jy5 n GLU 176 N 6.93 0.46 -3.85 2.72 2.13 -0.49 -4.57 120.64 123.98 1jy5 n GLU 176 Ca 0.17 0.11 -0.12 0.00 0.66 0.00 0.00 57.16 57.98 1jy5 n GLU 176 Cb 0.42 -1.37 -0.13 0.00 0.27 0.00 0.00 31.44 30.63 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 -2.37 0.11 -0.07 5.31 0.74 -0.84 -0.95 119.66 121.58 1jy5 s GLN 177 Ca -0.25 0.09 0.04 0.00 0.05 0.00 0.00 55.36 55.29 1jy5 s GLN 177 Cb 0.06 0.05 -0.00 0.00 1.10 0.00 0.00 33.01 34.22 1jy5 s GLN 177 CO 0.43 -0.01 -0.22 0.08 -0.55 0.00 0.00 175.29 175.01 1jy5 s VAL 178 N -0.02 1.85 -0.14 1.34 1.01 -0.45 -0.77 120.40 123.21 1jy5 s VAL 178 Ca -0.01 -0.92 0.01 0.00 0.00 0.00 0.00 61.98 61.06 1jy5 s VAL 178 Cb -0.01 -1.59 -0.00 0.00 0.00 0.00 0.00 36.38 34.77 1jy5 s VAL 178 CO 0.00 0.52 -0.16 -1.10 0.00 0.00 0.00 175.10 174.35 1jy5 s GLN 179 N 0.18 3.22 -0.08 2.72 -0.21 0.15 -0.65 119.66 124.99 1jy5 s GLN 179 Ca -0.11 -0.76 0.05 0.00 0.02 0.00 0.00 55.36 54.55 1jy5 s GLN 179 Cb -0.15 -2.57 -0.01 0.00 1.00 0.00 0.00 33.01 31.28 1jy5 s GLN 179 CO 0.06 0.09 -0.23 0.42 -2.12 0.00 0.00 175.29 173.50 1jy5 s ILE 180 N 0.62 2.19 0.03 1.08 -1.09 -0.56 -1.03 121.20 122.45 1jy5 s ILE 180 Ca -0.09 -1.00 0.01 0.00 -2.23 0.00 0.00 60.65 57.33 1jy5 s ILE 180 Cb -0.16 -1.82 -0.04 0.00 -1.58 0.00 0.00 42.46 38.86 1jy5 s ILE 180 CO 0.03 0.56 0.10 0.00 -1.23 0.00 0.00 174.94 174.40 1jy5 s PHE 182 N -1.30 0.73 0.96 0.00 0.40 0.66 -1.12 117.98 118.31 1jy5 s PHE 182 Ca 0.26 -0.34 -0.15 0.00 -0.60 0.00 0.00 56.93 56.10 1jy5 s PHE 182 Cb -0.12 -0.44 0.21 0.00 0.51 0.00 0.00 43.02 43.18 1jy5 s PHE 182 CO 0.18 -0.03 1.31 0.16 0.70 0.00 0.00 175.22 177.54 1jy5 s ASP 183 N -1.03 3.06 0.00 1.36 3.84 0.42 0.21 116.67 124.53 1jy5 s ASP 183 Ca -0.04 0.16 0.14 0.00 -0.00 0.00 0.00 52.55 52.81 1jy5 s ASP 183 Cb -0.07 -0.18 0.73 0.00 -1.38 0.00 0.00 42.92 42.02 1jy5 s ASP 183 CO 0.00 -2.76 1.32 0.29 -0.00 0.00 0.00 175.17 174.03 1jy5 n LYS 184 N -3.74 0.27 -0.49 2.11 5.02 -1.26 -1.10 118.16 118.97 1jy5 n LYS 184 Ca 0.16 0.11 0.08 0.00 -2.02 0.00 0.00 58.31 56.64 1jy5 n LYS 184 Cb 0.59 -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 -1.19 2.20 -1.87 -0.18 -2.24 -1.26 -4.95 114.28 104.79 1jy5 n THR 185 Ca 0.08 -1.68 -0.18 0.00 -2.27 0.00 0.00 64.05 60.00 1jy5 n THR 185 Cb 0.09 -0.16 -0.05 0.00 -2.10 0.00 0.00 70.33 68.11 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 -0.15 -1.51 -4.82 3.22 4.77 -0.26 -4.99 117.00 113.26 1jy5 n LEU 186 Ca 0.21 0.24 -0.37 0.00 -0.03 0.00 0.00 56.01 56.07 1jy5 n LEU 186 Cb 0.89 -2.54 -0.06 0.00 -2.33 0.00 0.00 43.42 39.38 1jy5 n LEU 186 CO 0.18 -0.61 -0.02 -1.10 -1.33 0.00 0.00 177.39 174.51 1jy5 s GLN 187 N -4.09 3.86 0.33 3.23 -0.21 -1.26 -4.82 119.66 116.71 1jy5 s GLN 187 Ca 0.00 0.15 -0.28 0.00 0.02 0.00 0.00 55.36 55.25 1jy5 s GLN 187 Cb 0.00 -3.27 -0.13 0.00 1.00 0.00 0.00 33.01 30.62 1jy5 s GLN 187 CO 0.00 0.59 1.26 1.28 -2.12 0.00 0.00 175.29 176.30 1jy5 n LEU 188 N 2.37 3.32 -4.12 2.90 4.77 -1.26 -0.43 117.00 124.55 1jy5 n LEU 188 Ca -0.15 1.20 -0.12 0.00 -0.03 0.00 0.00 56.01 56.90 1jy5 n LEU 188 Cb 0.53 -1.46 -0.07 0.00 -2.33 0.00 0.00 43.42 40.09 1jy5 n LEU 188 CO 0.36 -0.59 -0.01 0.00 -1.33 0.00 0.00 177.39 175.82 1jy5 s GLN 189 N -1.77 1.53 0.38 3.23 -2.07 -0.28 -4.76 119.66 115.92 1jy5 s GLN 189 Ca 0.56 -1.58 -0.23 0.00 -1.82 0.00 0.00 55.36 52.28 1jy5 s GLN 189 Cb -0.59 0.38 -0.10 0.00 -1.09 0.00 0.00 33.01 31.61 1jy5 s GLN 189 CO 0.61 -0.59 0.96 -1.21 -1.32 0.00 0.00 175.29 173.75 1jy5 s GLU 190 N -3.79 4.35 0.55 9.60 0.41 -1.26 -4.11 118.70 124.45 1jy5 s GLU 190 Ca 0.32 1.27 -0.06 0.00 -0.41 0.00 0.00 54.97 56.09 1jy5 s GLU 190 Cb 0.02 -2.48 -0.01 0.00 -1.78 0.00 0.00 34.13 29.88 1jy5 s GLU 190 CO 0.15 0.07 0.87 0.00 -0.49 0.00 0.00 175.26 175.85 1jy5 n PRO 192 N -2.47 1.20 -1.69 0.00 -0.02 -1.26 -4.86 135.00 125.89 1jy5 n PRO 192 Ca 0.03 0.46 -0.44 0.00 -2.02 0.00 0.00 63.50 61.52 1jy5 n PRO 192 Cb 0.56 -2.41 -0.03 0.00 -0.02 0.00 0.00 33.50 31.60 1jy5 n PRO 192 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 1jy5 n SER 193 N -1.21 3.32 -3.84 2.55 7.64 -1.26 -4.98 113.62 115.84 1jy5 n SER 193 Ca 0.14 1.09 -0.12 0.00 1.01 0.00 0.00 58.87 60.99 1jy5 n SER 193 Cb 0.47 -1.48 -0.11 0.00 -1.01 0.00 0.00 64.21 62.08 1jy5 n SER 193 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1jy5 s THR 194 N 0.71 0.04 0.42 0.44 2.01 -1.26 -5.10 115.64 112.90 1jy5 s THR 194 Ca 0.75 -0.32 -0.23 0.00 0.31 0.00 0.00 61.69 62.20 1jy5 s THR 194 Cb -0.62 -0.35 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1jy5 s THR 194 CO 0.40 -0.18 1.05 0.00 -0.69 0.00 0.00 174.62 175.20 1jy5 s ALA 195 N -0.60 3.03 0.53 7.40 0.00 -1.26 -5.01 121.76 125.84 1jy5 s ALA 195 Ca -0.07 0.68 -0.21 0.00 0.00 0.00 0.00 51.96 52.37 1jy5 s ALA 195 Cb -0.04 -3.27 -0.06 0.00 0.00 0.00 0.00 23.12 19.75 1jy5 s ALA 195 CO 0.01 -0.25 1.20 -1.12 0.00 0.00 0.00 175.76 175.59 1jy5 s SER 196 N -1.67 5.68 0.00 0.00 0.01 -1.26 -4.94 113.70 111.52 1jy5 s SER 196 Ca 0.60 2.37 0.00 0.00 1.31 0.00 0.00 55.95 60.23 1jy5 s SER 196 Cb -0.21 -2.60 0.00 0.00 0.21 0.00 0.00 66.02 63.42 1jy5 s SER 196 CO 0.26 -1.26 0.00 0.35 0.41 0.00 0.00 173.24 173.00 1jy5 n THR 197 N -1.03 0.00 -2.72 1.44 -2.24 -1.26 -5.08 114.28 103.39 1jy5 n THR 197 Ca 0.10 -0.08 -0.32 0.00 -2.27 0.00 0.00 64.05 61.47 1jy5 n THR 197 Cb 0.49 0.52 -0.05 0.00 -2.10 0.00 0.00 70.33 69.18 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 -3.49 0.99 0.38 0.00 0.02 -1.26 -4.91 135.00 126.73 1jy5 s PRO 199 Ca 0.59 0.83 0.05 0.00 0.02 0.00 0.00 61.00 62.50 1jy5 s PRO 199 Cb -0.10 -1.78 0.76 0.00 0.02 0.00 0.00 34.50 33.41 1jy5 s PRO 199 CO 0.21 -2.43 2.03 1.03 -0.33 0.00 0.00 177.00 177.51 1jy5 h SER 200 N -1.69 0.58 -3.41 2.53 0.87 -1.96 -3.41 113.55 107.07 1jy5 h SER 200 Ca -0.51 -0.01 -0.66 0.00 -1.23 0.00 0.00 61.79 59.38 1jy5 h SER 200 Cb 1.29 -0.14 -0.28 0.00 -0.44 0.00 0.00 62.40 62.83 1jy5 h SER 200 CO 0.54 0.42 -0.79 -0.76 -0.53 0.00 0.00 176.83 175.71 1jy5 s LEU 201 N -9.60 2.60 0.24 2.23 1.43 -1.26 -2.02 118.68 112.31 1jy5 s LEU 201 Ca -0.09 -0.36 0.02 0.00 -1.03 0.00 0.00 54.13 52.67 1jy5 s LEU 201 Cb 0.18 -1.57 -0.05 0.00 0.03 0.00 0.00 46.19 44.78 1jy5 s LEU 201 CO 0.75 0.18 0.05 0.68 0.23 0.00 0.00 176.35 178.24 1jy5 s VAL 202 N 0.23 0.75 0.21 -1.59 -7.23 0.96 -4.91 120.40 108.82 1jy5 s VAL 202 Ca -0.10 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.13 1jy5 s VAL 202 Cb -0.16 -2.48 -0.05 0.00 0.56 0.00 0.00 36.38 34.25 1jy5 s VAL 202 CO 0.06 -0.17 -0.10 -0.94 -0.31 0.00 0.00 175.10 173.64 1jy5 s SER 203 N -3.30 2.37 -0.60 4.85 1.04 -0.86 0.28 113.70 117.49 1jy5 s SER 203 Ca 0.33 -1.09 0.06 0.00 0.48 0.00 0.00 55.95 55.73 1jy5 s SER 203 Cb 0.07 -0.10 0.25 0.00 0.10 0.00 0.00 66.02 66.34 1jy5 s SER 203 CO 0.11 -0.29 0.71 0.18 0.98 0.00 0.00 173.24 174.93 1jy5 n LEU 204 N -0.40 3.15 -4.53 2.42 4.77 -1.26 -1.38 117.00 119.78 1jy5 n LEU 204 Ca -0.07 -5.32 -0.36 0.00 -0.03 0.00 0.00 56.01 50.22 1jy5 n LEU 204 Cb 0.62 -0.44 0.07 0.00 -2.33 0.00 0.00 43.42 41.34 1jy5 n LEU 204 CO 0.36 2.07 0.26 -0.81 -1.33 0.00 0.00 177.39 177.93 1jy5 n PRO 205 N 0.93 0.46 -3.45 3.23 -0.04 -1.23 -0.71 135.00 134.18 1jy5 n PRO 205 Ca 0.28 0.20 -0.28 0.00 -0.04 0.00 0.00 63.50 63.66 1jy5 n PRO 205 Cb 0.43 -1.97 -0.03 0.00 -0.04 0.00 0.00 33.50 31.89 1jy5 n PRO 205 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1jy5 s ILE 206 N -1.81 5.08 1.22 0.52 1.01 -1.26 -4.00 121.20 121.95 1jy5 s ILE 206 Ca 0.70 -0.06 -0.16 0.00 0.00 0.00 0.00 60.65 61.12 1jy5 s ILE 206 Cb -0.37 -3.73 0.30 0.00 0.01 0.00 0.00 42.46 38.67 1jy5 s ILE 206 CO 0.54 -0.26 1.02 -0.54 0.00 0.00 0.00 174.94 175.69 1jy5 s LYS 207 N -3.45 -1.34 0.00 2.79 1.02 -1.26 -4.80 119.74 112.70 1jy5 s LYS 207 Ca 0.42 0.46 0.00 0.00 0.02 0.00 0.00 55.97 56.88 1jy5 s LYS 207 Cb -0.11 -1.53 0.00 0.00 -0.52 0.00 0.00 37.83 35.67 1jy5 s LYS 207 CO 0.29 -3.91 0.00 0.09 -0.92 0.00 0.00 175.35 170.90