#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3kpa h VAL 5 N 0.00 1.28 -0.41 2.46 -1.51 -1.98 -2.09 116.25 113.99 3kpa h VAL 5 Ca 0.00 -1.73 0.06 0.00 -1.23 0.00 0.00 66.70 63.80 3kpa h VAL 5 Cb 0.00 1.63 -0.06 0.00 -2.13 0.00 0.00 31.29 30.74 3kpa h VAL 5 CO 0.00 0.56 0.08 0.50 -1.23 0.00 0.00 177.57 177.49 3kpa h LYS 6 N 0.66 0.21 -0.04 5.19 3.64 -1.98 0.23 116.57 124.48 3kpa h LYS 6 Ca 0.01 -0.01 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 3kpa h LYS 6 Cb 1.15 -0.05 -0.00 0.00 -0.41 0.00 0.00 32.23 32.92 3kpa h LYS 6 CO 0.12 0.14 0.01 0.93 -2.27 0.00 0.00 179.45 178.38 3kpa h GLU 7 N 0.22 0.07 -0.70 1.90 5.08 -1.99 -1.28 114.58 117.87 3kpa h GLU 7 Ca 0.20 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.56 3kpa h GLU 7 Cb 0.24 -0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.44 3kpa h GLU 7 CO -0.26 0.29 0.45 1.03 -1.00 0.00 0.00 179.01 179.53 3kpa h SER 8 N -0.17 0.77 -0.02 1.42 0.87 -1.12 -2.83 113.55 112.47 3kpa h SER 8 Ca 0.01 -0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.44 3kpa h SER 8 Cb 0.26 -0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 3kpa h SER 8 CO 0.00 0.55 -0.38 0.58 -0.53 0.00 0.00 176.83 177.05 3kpa h VAL 9 N 0.91 1.30 -0.19 2.23 2.07 -0.49 -2.26 116.25 119.81 3kpa h VAL 9 Ca 0.27 -1.52 0.06 0.00 0.82 0.00 0.00 66.70 66.32 3kpa h VAL 9 Cb -0.06 1.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.23 3kpa h VAL 9 CO -0.08 0.48 0.24 0.28 0.02 0.00 0.00 177.57 178.51 3kpa h SER 10 N 0.44 0.00 -0.06 0.57 0.02 -0.98 -2.03 113.55 111.51 3kpa h SER 10 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3kpa h SER 10 Cb 0.86 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.40 3kpa h SER 10 CO 0.07 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.30 3kpa n ARG 11 N -3.66 2.03 -2.76 3.45 1.74 -0.86 -4.91 116.66 111.68 3kpa n ARG 11 Ca 0.02 -1.82 -0.42 0.00 -0.77 0.00 0.00 57.85 54.86 3kpa n ARG 11 Cb 0.36 -1.42 -0.03 0.00 -1.02 0.00 0.00 32.46 30.36 3kpa n ARG 11 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 3kpa s ILE 12 N -1.75 4.86 0.33 0.55 1.01 -0.77 -4.85 121.20 120.59 3kpa s ILE 12 Ca 0.26 1.93 -0.29 0.00 0.00 0.00 0.00 60.65 62.55 3kpa s ILE 12 Cb 0.18 -4.26 -0.11 0.00 0.01 0.00 0.00 42.46 38.28 3kpa s ILE 12 CO 0.27 0.10 1.54 -2.84 0.00 0.00 0.00 174.94 174.01 3kpa s PRO 13 N 1.48 4.11 0.74 2.79 0.02 -1.26 -5.02 135.00 137.86 3kpa s PRO 13 Ca 0.47 2.58 -0.12 0.00 0.02 0.00 0.00 61.00 63.96 3kpa s PRO 13 Cb -0.19 -2.99 0.04 0.00 0.02 0.00 0.00 34.50 31.37 3kpa s PRO 13 CO 0.21 -0.59 1.11 -0.51 -0.33 0.00 0.00 177.00 176.90 3kpa s LEU 14 N -1.30 2.77 0.25 -5.54 1.43 -1.26 -4.79 118.68 110.24 3kpa s LEU 14 Ca 0.58 1.08 0.10 0.00 -1.03 0.00 0.00 54.13 54.86 3kpa s LEU 14 Cb -0.47 -3.79 -0.04 0.00 0.03 0.00 0.00 46.19 41.91 3kpa s LEU 14 CO 0.56 -1.55 -0.10 -0.76 0.23 0.00 0.00 176.35 174.74 3kpa s LEU 15 N -5.46 2.92 -0.05 1.79 1.02 -0.00 -4.95 118.68 113.95 3kpa s LEU 15 Ca 0.59 -0.76 0.05 0.00 0.02 0.00 0.00 54.13 54.04 3kpa s LEU 15 Cb -0.11 -1.49 -0.07 0.00 0.02 0.00 0.00 46.19 44.54 3kpa s LEU 15 CO 0.52 0.04 0.03 0.29 0.02 0.00 0.00 176.35 177.25 3kpa n LYS 16 N -0.55 2.86 -3.66 1.70 5.02 -1.26 -4.18 118.16 118.10 3kpa n LYS 16 Ca -0.07 -0.01 -0.36 0.00 -2.02 0.00 0.00 58.31 55.85 3kpa n LYS 16 Cb 0.58 -1.14 -0.09 0.00 -0.02 0.00 0.00 35.03 34.36 3kpa n LYS 16 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 3kpa s THR 17 N -2.16 5.36 -0.70 -0.18 2.01 -1.26 -4.95 115.64 113.77 3kpa s THR 17 Ca -0.03 0.19 -0.21 0.00 0.31 0.00 0.00 61.69 61.95 3kpa s THR 17 Cb 0.02 -3.50 0.08 0.00 0.01 0.00 0.00 72.50 69.11 3kpa s THR 17 CO 0.23 0.35 0.96 -0.75 -0.69 0.00 0.00 174.62 174.72 3kpa s LYS 18 N 0.99 3.19 -0.03 4.92 2.47 -1.26 -4.87 119.74 125.16 3kpa s LYS 18 Ca 0.08 -1.05 -0.27 0.00 -1.56 0.00 0.00 55.97 53.16 3kpa s LYS 18 Cb -0.13 -4.36 0.06 0.00 -1.46 0.00 0.00 37.83 31.94 3kpa s LYS 18 CO 0.04 -1.78 0.61 0.00 0.16 0.00 0.00 175.35 174.38 3kpa s ALA 19 N 3.67 -1.57 0.49 3.13 0.00 -1.26 -5.02 121.76 121.19 3kpa s ALA 19 Ca 0.23 1.07 0.04 0.00 0.00 0.00 0.00 51.96 53.29 3kpa s ALA 19 Cb -0.16 0.09 -0.02 0.00 0.00 0.00 0.00 23.12 23.03 3kpa s ALA 19 CO 0.06 -0.38 0.09 0.20 0.00 0.00 0.00 175.76 175.73 3kpa s GLY 20 N -1.35 2.75 0.59 0.00 0.00 -1.23 -4.15 107.32 103.92 3kpa s GLY 20 Ca -0.10 -1.08 0.29 0.00 0.00 0.00 0.00 44.72 43.83 3kpa s GLY 20 CO 0.07 -2.11 1.84 -2.55 0.00 0.00 0.00 173.10 170.36 3kpa h PRO 21 N 1.34 0.00 -0.00 2.90 0.11 -1.82 -0.15 132.00 134.37 3kpa h PRO 21 Ca -0.43 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.68 3kpa h PRO 21 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 3kpa h PRO 21 CO 0.72 0.00 -0.11 0.54 -0.21 0.00 0.00 178.00 178.95 3kpa n ARG 22 N -3.66 0.15 -0.20 1.05 1.74 -1.26 -4.39 116.66 110.09 3kpa n ARG 22 Ca 0.10 -0.03 0.05 0.00 -0.77 0.00 0.00 57.85 57.19 3kpa n ARG 22 Cb 0.75 -1.50 0.14 0.00 -1.02 0.00 0.00 32.46 30.84 3kpa n ARG 22 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 3kpa n ASP 23 N -1.40 1.90 0.00 0.55 8.00 -0.07 -4.99 116.55 120.54 3kpa n ASP 23 Ca 0.09 -2.07 0.00 0.00 0.71 0.00 0.00 54.79 53.51 3kpa n ASP 23 Cb 0.32 -0.28 0.00 0.00 -0.02 0.00 0.00 41.12 41.14 3kpa n ASP 23 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3kpa n GLY 24 N 0.85 3.11 0.37 0.44 0.00 -1.26 -2.78 105.19 105.92 3kpa n GLY 24 Ca 0.11 -0.17 0.14 0.00 0.00 0.00 0.00 46.02 46.09 3kpa n GLY 24 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3kpa h ASP 25 N 0.00 0.32 0.57 1.61 2.03 -1.98 -1.31 116.42 117.65 3kpa h ASP 25 Ca 0.00 0.01 -0.13 0.00 -0.73 0.00 0.00 57.03 56.18 3kpa h ASP 25 Cb 0.00 -0.05 -0.02 0.00 -0.83 0.00 0.00 39.33 38.43 3kpa h ASP 25 CO 0.00 0.18 -0.60 0.11 -1.03 0.00 0.00 179.24 177.90 3kpa h LYS 26 N 0.35 0.03 -0.50 4.15 1.79 -1.92 -2.77 116.57 117.70 3kpa h LYS 26 Ca 0.30 -0.02 -0.08 0.00 -2.18 0.00 0.00 60.65 58.68 3kpa h LYS 26 Cb 0.71 0.00 -0.02 0.00 -1.58 0.00 0.00 32.23 31.34 3kpa h LYS 26 CO -0.08 0.62 0.01 2.35 -1.08 0.00 0.00 179.45 181.27 3kpa h TRP 27 N 0.02 0.96 -0.41 -1.35 -0.00 -1.36 -1.32 115.95 112.48 3kpa h TRP 27 Ca -0.01 -0.16 0.00 0.00 -0.00 0.00 0.00 58.89 58.72 3kpa h TRP 27 Cb 1.06 -0.25 -0.02 0.00 -0.00 0.00 0.00 29.16 29.95 3kpa h TRP 27 CO 0.00 0.89 0.26 1.15 -0.00 0.00 0.00 178.44 180.75 3kpa h THR 28 N 0.75 1.12 -0.51 2.65 2.02 -1.44 0.64 112.91 118.13 3kpa h THR 28 Ca 0.14 -0.24 0.06 0.00 0.77 0.00 0.00 66.41 67.15 3kpa h THR 28 Cb 0.50 0.54 -0.05 0.00 -1.74 0.00 0.00 68.15 67.40 3kpa h THR 28 CO 0.02 0.11 0.21 0.00 0.37 0.00 0.00 175.52 176.24 3kpa h ALA 29 N 1.13 0.64 0.08 6.16 0.00 -1.45 -1.21 119.26 124.61 3kpa h ALA 29 Ca 0.15 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 55.11 3kpa h ALA 29 Cb -0.04 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.75 3kpa h ALA 29 CO -0.03 -0.17 -0.04 -0.09 0.00 0.00 0.00 179.25 178.92 3kpa h ARG 30 N 0.41 -0.10 -0.93 0.00 9.65 -0.31 -2.88 114.38 120.22 3kpa h ARG 30 Ca 0.24 0.01 0.17 0.00 -1.10 0.00 0.00 59.98 59.30 3kpa h ARG 30 Cb 0.22 0.02 -0.10 0.00 -1.39 0.00 0.00 29.97 28.72 3kpa h ARG 30 CO -0.22 0.04 0.52 1.25 2.80 0.00 0.00 179.97 184.37 3kpa h LEU 31 N -0.22 0.65 -0.98 3.80 5.85 0.46 0.32 115.31 125.19 3kpa h LEU 31 Ca -0.01 0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.78 3kpa h LEU 31 Cb 0.19 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.17 3kpa h LEU 31 CO 0.02 0.24 0.36 0.50 -0.34 0.00 0.00 178.44 179.22 3kpa h LYS 32 N 0.68 1.09 -0.30 1.25 3.64 -1.02 0.72 116.57 122.63 3kpa h LYS 32 Ca 0.53 -0.16 -0.12 0.00 -1.27 0.00 0.00 60.65 59.63 3kpa h LYS 32 Cb 0.80 -0.20 -0.01 0.00 -0.41 0.00 0.00 32.23 32.41 3kpa h LYS 32 CO -0.38 0.84 -0.31 0.93 -2.27 0.00 0.00 179.45 178.26 3kpa h GLU 33 N 1.08 0.64 -0.04 1.90 5.08 -0.85 -1.44 114.58 120.95 3kpa h GLU 33 Ca 0.26 -0.28 -0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3kpa h GLU 33 Cb 0.12 -0.02 -0.00 0.00 0.50 0.00 0.00 28.75 29.35 3kpa h GLU 33 CO -0.03 0.87 0.03 1.49 -1.00 0.00 0.00 179.01 180.36 3kpa h GLU 34 N 0.55 0.06 -0.66 2.33 4.57 -0.37 -0.43 114.58 120.63 3kpa h GLU 34 Ca 0.07 -0.01 -0.08 0.00 -1.18 0.00 0.00 59.36 58.16 3kpa h GLU 34 Cb 0.80 -0.01 -0.03 0.00 -0.16 0.00 0.00 28.75 29.35 3kpa h GLU 34 CO 0.07 0.08 0.09 1.88 -1.18 0.00 0.00 179.01 179.94 3kpa h TYR 35 N 0.02 1.17 -0.60 0.92 0.05 -0.85 -0.60 116.97 117.08 3kpa h TYR 35 Ca 0.02 -0.17 -0.06 0.00 0.05 0.00 0.00 58.73 58.57 3kpa h TYR 35 Cb 0.03 -0.32 -0.03 0.00 1.01 0.00 0.00 36.73 37.43 3kpa h TYR 35 CO -0.06 0.99 0.14 0.00 -1.05 0.00 0.00 178.16 178.18 3kpa h ALA 36 N 1.04 1.11 -0.17 3.88 0.00 -1.09 -0.90 119.26 123.13 3kpa h ALA 36 Ca 0.20 -0.22 -0.09 0.00 0.00 0.00 0.00 54.91 54.80 3kpa h ALA 36 Cb 0.46 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3kpa h ALA 36 CO 0.02 0.59 -0.24 1.03 0.00 0.00 0.00 179.25 180.65 3kpa h SER 37 N 0.90 0.50 -0.15 0.00 0.87 -0.83 -2.39 113.55 112.45 3kpa h SER 37 Ca 0.19 -0.52 0.00 0.00 -1.23 0.00 0.00 61.79 60.24 3kpa h SER 37 Cb 0.33 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3kpa h SER 37 CO 0.00 0.92 0.10 -0.07 -0.53 0.00 0.00 176.83 177.25 3kpa h LEU 38 N 0.10 0.17 -0.49 2.23 3.38 -1.02 -1.28 115.31 118.39 3kpa h LEU 38 Ca 0.02 -0.01 0.08 0.00 0.09 0.00 0.00 57.88 58.06 3kpa h LEU 38 Cb 0.81 -0.04 -0.07 0.00 0.09 0.00 0.00 40.66 41.45 3kpa h LEU 38 CO 0.06 0.13 0.12 0.40 0.09 0.00 0.00 178.44 179.23 3kpa h ILE 39 N 0.20 0.75 -0.31 1.22 2.04 -1.21 0.10 117.51 120.30 3kpa h ILE 39 Ca 0.05 -0.09 -0.02 0.00 1.00 0.00 0.00 64.86 65.80 3kpa h ILE 39 Cb -0.02 0.46 -0.01 0.00 -0.74 0.00 0.00 36.82 36.51 3kpa h ILE 39 CO -0.01 0.05 0.10 0.74 0.00 0.00 0.00 178.15 179.03 3kpa h THR 40 N 0.26 1.20 -0.80 -0.27 2.02 -1.31 -0.78 112.91 113.24 3kpa h THR 40 Ca 0.24 -0.63 -0.03 0.00 0.77 0.00 0.00 66.41 66.76 3kpa h THR 40 Cb 0.31 1.03 -0.04 0.00 -1.74 0.00 0.00 68.15 67.71 3kpa h THR 40 CO -0.30 0.21 0.38 0.22 0.37 0.00 0.00 175.52 176.40 3kpa h TYR 41 N 0.35 1.16 -0.33 3.16 -0.00 -0.91 -1.20 116.97 119.19 3kpa h TYR 41 Ca 0.10 -0.06 -0.03 0.00 -0.00 0.00 0.00 58.73 58.75 3kpa h TYR 41 Cb 0.23 -0.36 -0.01 0.00 -0.00 0.00 0.00 36.73 36.59 3kpa h TYR 41 CO 0.00 0.85 0.11 0.28 -0.00 0.00 0.00 178.16 179.39 3kpa h VAL 42 N 1.14 1.21 -0.82 1.81 2.07 -0.50 -1.24 116.25 119.91 3kpa h VAL 42 Ca 0.27 -0.67 0.04 0.00 0.82 0.00 0.00 66.70 67.17 3kpa h VAL 42 Cb 0.13 1.01 -0.05 0.00 -1.52 0.00 0.00 31.29 30.86 3kpa h VAL 42 CO -0.03 0.23 0.52 -0.33 0.02 0.00 0.00 177.57 177.98 3kpa h GLU 43 N 0.39 0.98 -0.47 1.57 5.08 -0.84 -0.02 114.58 121.26 3kpa h GLU 43 Ca 0.11 -0.06 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 3kpa h GLU 43 Cb 0.25 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 3kpa h GLU 43 CO -0.00 0.65 0.15 0.45 -1.00 0.00 0.00 179.01 179.25 3kpa h HIS 44 N 1.01 0.76 -0.18 4.33 3.86 -0.99 -0.81 115.15 123.13 3kpa h HIS 44 Ca 0.33 -0.08 0.01 0.00 -1.16 0.00 0.00 60.37 59.48 3kpa h HIS 44 Cb 0.04 -0.22 -0.02 0.00 1.06 0.00 0.00 27.41 28.27 3kpa h HIS 44 CO -0.03 0.68 0.08 -0.91 0.86 0.00 0.00 177.93 178.61 3kpa h ASN 45 N 0.63 0.12 -0.58 2.45 2.35 -0.69 -1.97 115.58 117.88 3kpa h ASN 45 Ca 0.15 0.01 0.01 0.00 -0.55 0.00 0.00 56.30 55.92 3kpa h ASN 45 Cb 0.27 -0.01 -0.03 0.00 0.05 0.00 0.00 38.32 38.60 3kpa h ASN 45 CO -0.00 0.10 0.38 0.11 -1.65 0.00 0.00 177.43 176.37 3kpa h LYS 46 N 0.18 0.77 0.00 0.81 1.57 -0.91 0.45 116.57 119.44 3kpa h LYS 46 Ca 0.07 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.78 3kpa h LYS 46 Cb 0.02 -0.17 -0.00 0.00 0.08 0.00 0.00 32.23 32.16 3kpa h LYS 46 CO -0.06 0.51 -0.12 0.00 -0.57 0.00 0.00 179.45 179.21 3kpa h ALA 47 N 1.21 1.20 -0.56 3.86 0.00 -0.93 -0.73 119.26 123.31 3kpa h ALA 47 Ca 0.21 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 55.01 3kpa h ALA 47 Cb -0.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 17.68 3kpa h ALA 47 CO -0.05 0.16 0.00 -1.13 0.00 0.00 0.00 179.25 178.23 3kpa n SER 48 N -3.53 4.38 -3.51 0.00 3.41 -0.76 -4.98 113.62 108.63 3kpa n SER 48 Ca -0.01 -2.44 -0.26 0.00 -0.26 0.00 0.00 58.87 55.90 3kpa n SER 48 Cb 0.27 -0.52 0.04 0.00 -0.26 0.00 0.00 64.21 63.73 3kpa n SER 48 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3kpa n ASP 49 N 0.85 -5.40 -0.65 4.04 8.00 -0.28 -4.89 116.55 118.21 3kpa n ASP 49 Ca 0.23 -0.53 0.05 0.00 0.71 0.00 0.00 54.79 55.26 3kpa n ASP 49 Cb 0.82 -4.33 0.10 0.00 -0.02 0.00 0.00 41.12 37.69 3kpa n ASP 49 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27 3kpa n SER 50 N -2.71 1.35 -4.72 -2.24 3.41 0.15 -5.00 113.62 103.86 3kpa n SER 50 Ca -0.02 -2.84 -0.43 0.00 -0.26 0.00 0.00 58.87 55.33 3kpa n SER 50 Cb 0.56 -0.38 -0.03 0.00 -0.26 0.00 0.00 64.21 64.11 3kpa n SER 50 CO 0.00 0.00 0.00 1.57 -0.16 0.00 0.00 175.04 176.45 3kpa n HIS 51 N -0.58 2.70 -1.11 7.33 -0.00 -1.18 -4.82 115.22 117.56 3kpa n HIS 51 Ca 0.11 0.16 0.00 0.00 -0.00 0.00 0.00 57.72 57.99 3kpa n HIS 51 Cb 0.79 -2.62 0.00 0.00 -0.00 0.00 0.00 29.99 28.16 3kpa n HIS 51 CO 0.00 0.00 0.00 -2.67 -0.00 0.00 0.00 176.34 173.67 3kpa n TRP 52 N 3.18 0.00 -3.76 1.57 4.27 -1.26 -5.00 117.44 116.43 3kpa n TRP 52 Ca 0.13 0.00 -0.10 0.00 -3.89 0.00 0.00 57.50 53.64 3kpa n TRP 52 Cb 0.35 0.01 -0.07 0.00 -1.36 0.00 0.00 31.31 30.24 3kpa n TRP 52 CO 0.00 0.00 0.00 -0.59 -2.29 0.00 0.00 177.69 174.81 3kpa s PHE 53 N 0.00 -0.03 -0.05 -2.67 -0.12 -1.26 -1.22 117.98 112.62 3kpa s PHE 53 Ca 0.00 -0.27 -0.01 0.00 -0.05 0.00 0.00 56.93 56.60 3kpa s PHE 53 Cb 0.00 0.08 0.03 0.00 -0.63 0.00 0.00 43.02 42.49 3kpa s PHE 53 CO 0.00 -0.57 0.01 -1.58 -0.05 0.00 0.00 175.22 173.03 3kpa s HIS 54 N -3.39 0.44 0.05 3.49 2.46 -0.32 -5.00 115.29 113.03 3kpa s HIS 54 Ca 0.01 -0.03 0.04 0.00 0.47 0.00 0.00 55.06 55.56 3kpa s HIS 54 Cb 0.02 -0.61 -0.03 0.00 -0.13 0.00 0.00 32.58 31.83 3kpa s HIS 54 CO -0.09 -0.23 -0.13 -0.51 -2.47 0.00 0.00 174.74 171.31 3kpa s LEU 55 N 1.70 2.24 0.20 8.88 1.43 -1.26 -1.30 118.68 130.56 3kpa s LEU 55 Ca 0.00 -0.54 0.02 0.00 -1.03 0.00 0.00 54.13 52.57 3kpa s LEU 55 Cb -0.13 -0.46 -0.05 0.00 0.03 0.00 0.00 46.19 45.58 3kpa s LEU 55 CO -0.03 -0.07 0.03 -1.83 0.23 0.00 0.00 176.35 174.68 3kpa s GLU 56 N -1.49 1.22 0.20 1.70 -1.05 -0.17 -5.00 118.70 114.10 3kpa s GLU 56 Ca -0.02 -1.62 -0.09 0.00 -0.15 0.00 0.00 54.97 53.09 3kpa s GLU 56 Cb -0.09 -0.28 -0.01 0.00 -0.44 0.00 0.00 34.13 33.30 3kpa s GLU 56 CO 0.02 -0.18 0.31 -1.54 0.95 0.00 0.00 175.26 174.82 3kpa s SER 57 N -3.23 0.02 0.97 0.83 1.04 -1.26 -1.11 113.70 110.96 3kpa s SER 57 Ca 0.29 -0.99 -0.12 0.00 0.48 0.00 0.00 55.95 55.61 3kpa s SER 57 Cb 0.07 0.47 0.17 0.00 0.10 0.00 0.00 66.02 66.83 3kpa s SER 57 CO 0.07 -0.96 1.09 0.54 0.98 0.00 0.00 173.24 174.96 3kpa s ASN 58 N -3.02 2.80 0.59 7.02 4.22 -0.82 -4.89 114.94 120.84 3kpa s ASN 58 Ca 0.23 1.42 0.28 0.00 -2.14 0.00 0.00 52.86 52.66 3kpa s ASN 58 Cb 0.03 -2.10 1.63 0.00 1.28 0.00 0.00 41.25 42.08 3kpa s ASN 58 CO 0.05 -3.05 2.08 -0.65 -2.04 0.00 0.00 177.10 173.49 3kpa h PRO 59 N -1.84 0.00 -0.00 3.55 0.10 -2.02 -1.63 132.00 130.16 3kpa h PRO 59 Ca -0.53 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.57 3kpa h PRO 59 Cb 1.31 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.41 3kpa h PRO 59 CO 0.54 0.00 -0.11 1.04 0.10 0.00 0.00 178.00 179.58 3kpa n GLN 60 N -3.82 0.81 -1.19 1.05 3.00 -1.26 -4.94 117.38 111.04 3kpa n GLN 60 Ca 0.02 -0.31 -0.06 0.00 -0.01 0.00 0.00 57.00 56.64 3kpa n GLN 60 Cb 0.36 -1.49 -0.03 0.00 0.00 0.00 0.00 30.24 29.08 3kpa n GLN 60 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 3kpa n GLY 61 N 1.26 0.78 0.03 1.08 0.00 -0.61 -4.89 105.19 102.84 3kpa n GLY 61 Ca 0.15 -0.22 0.10 0.00 0.00 0.00 0.00 46.02 46.05 3kpa n GLY 61 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3kpa n THR 62 N -2.52 0.16 -4.21 2.61 -2.24 -1.26 -4.82 114.28 101.99 3kpa n THR 62 Ca -0.06 -0.53 -0.30 0.00 -2.27 0.00 0.00 64.05 60.89 3kpa n THR 62 Cb 0.36 -0.07 -0.17 0.00 -2.10 0.00 0.00 70.33 68.35 3kpa n THR 62 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 3kpa s ARG 63 N -3.44 2.32 0.10 -0.78 3.00 -1.26 0.58 118.95 119.46 3kpa s ARG 63 Ca -0.07 -0.58 0.10 0.00 0.00 0.00 0.00 55.73 55.18 3kpa s ARG 63 Cb 0.13 -2.05 -0.04 0.00 0.00 0.00 0.00 34.95 32.99 3kpa s ARG 63 CO 0.89 -0.16 -0.26 -1.58 0.00 0.00 0.00 175.30 174.19 3kpa s TRP 64 N 1.28 2.23 0.13 -0.53 0.52 0.53 -1.94 118.94 121.16 3kpa s TRP 64 Ca 0.00 -0.39 -0.22 0.00 0.02 0.00 0.00 56.10 55.51 3kpa s TRP 64 Cb -0.14 -1.25 0.06 0.00 -1.15 0.00 0.00 33.47 31.00 3kpa s TRP 64 CO -0.07 0.26 0.56 1.52 0.02 0.00 0.00 176.95 179.24 3kpa s TYR 65 N -0.99 -0.47 -4.69 -1.98 -0.85 -0.27 -1.22 117.35 106.88 3kpa s TYR 65 Ca 0.12 0.30 0.00 0.00 -0.52 0.00 0.00 57.07 56.98 3kpa s TYR 65 Cb -0.10 0.47 0.00 0.00 0.38 0.00 0.00 41.96 42.71 3kpa s TYR 65 CO 0.05 -0.79 0.00 0.41 -1.52 0.00 0.00 175.55 173.70 3kpa n GLY 66 N -0.21 -0.50 3.34 5.49 0.00 -1.26 -1.00 105.19 111.05 3kpa n GLY 66 Ca -0.17 -0.75 -0.18 0.00 0.00 0.00 0.00 46.02 44.92 3kpa n GLY 66 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3kpa s THR 67 N -4.00 1.59 0.07 2.61 -4.23 -0.42 -4.42 115.64 106.84 3kpa s THR 67 Ca 0.00 -2.17 -0.00 0.00 -1.18 0.00 0.00 61.69 58.34 3kpa s THR 67 Cb 0.00 -2.08 -0.04 0.00 1.34 0.00 0.00 72.50 71.72 3kpa s THR 67 CO 0.00 -0.57 -0.03 0.00 -0.54 0.00 0.00 174.62 173.48 3kpa s TRP 69 N -3.85 0.53 0.14 0.00 -2.14 -0.36 -0.20 118.94 113.06 3kpa s TRP 69 Ca 0.10 -0.86 -0.11 0.00 2.66 0.00 0.00 56.10 57.89 3kpa s TRP 69 Cb 0.07 -0.03 0.01 0.00 -3.10 0.00 0.00 33.47 30.42 3kpa s TRP 69 CO -0.07 -0.85 0.31 -0.08 -2.66 0.00 0.00 176.95 173.60 3kpa s THR 70 N -4.03 0.08 -0.17 0.66 -1.32 -0.72 -4.82 115.64 105.32 3kpa s THR 70 Ca 0.24 -1.10 0.00 0.00 -1.21 0.00 0.00 61.69 59.62 3kpa s THR 70 Cb 0.02 -1.55 0.01 0.00 -1.51 0.00 0.00 72.50 69.47 3kpa s THR 70 CO 0.07 -0.37 -0.16 -0.31 -2.21 0.00 0.00 174.62 171.64 3kpa s TYR 71 N -3.90 2.80 -0.09 9.09 2.02 -1.26 -0.76 117.35 125.24 3kpa s TYR 71 Ca 0.10 -1.25 0.02 0.00 -0.37 0.00 0.00 57.07 55.57 3kpa s TYR 71 Cb 0.03 -1.93 0.01 0.00 -0.40 0.00 0.00 41.96 39.68 3kpa s TYR 71 CO -0.06 -0.61 -0.14 -0.47 -1.57 0.00 0.00 175.55 172.71 3kpa s TYR 72 N 1.08 1.77 -1.41 2.71 5.04 0.20 -4.80 117.35 121.93 3kpa s TYR 72 Ca -0.00 -0.78 -0.04 0.00 -2.44 0.00 0.00 57.07 53.81 3kpa s TYR 72 Cb -0.14 -1.30 0.00 0.00 0.35 0.00 0.00 41.96 40.87 3kpa s TYR 72 CO -0.05 -0.41 0.35 1.63 -1.34 0.00 0.00 175.55 175.73 3kpa n LYS 73 N 4.11 -2.32 -1.07 4.97 5.02 -1.26 -0.87 118.16 126.73 3kpa n LYS 73 Ca -0.20 0.30 -0.02 0.00 -2.02 0.00 0.00 58.31 56.37 3kpa n LYS 73 Cb 0.51 -4.12 -0.01 0.00 -0.02 0.00 0.00 35.03 31.39 3kpa n LYS 73 CO 0.00 0.00 0.00 0.09 -0.52 0.00 0.00 177.40 176.97 3kpa n ASN 74 N -2.89 -4.93 -4.36 4.39 3.02 -1.26 -4.99 115.26 104.24 3kpa n ASN 74 Ca -0.29 0.06 -0.33 0.00 -0.03 0.00 0.00 54.58 53.99 3kpa n ASN 74 Cb 0.68 -2.65 -0.15 0.00 -0.61 0.00 0.00 39.78 37.05 3kpa n ASN 74 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 3kpa s GLU 75 N -1.65 3.19 0.14 3.52 0.41 -0.05 -5.11 118.70 119.15 3kpa s GLU 75 Ca 0.00 -0.72 -0.27 0.00 -0.41 0.00 0.00 54.97 53.57 3kpa s GLU 75 Cb 0.00 -2.53 -0.07 0.00 -1.78 0.00 0.00 34.13 29.75 3kpa s GLU 75 CO 0.00 0.27 0.83 0.21 -0.49 0.00 0.00 175.26 176.08 3kpa s LYS 76 N 0.19 4.62 -0.16 1.61 2.20 -1.26 -0.63 119.74 126.31 3kpa s LYS 76 Ca -0.09 1.24 -0.01 0.00 -0.36 0.00 0.00 55.97 56.75 3kpa s LYS 76 Cb -0.15 -3.31 0.04 0.00 -1.51 0.00 0.00 37.83 32.90 3kpa s LYS 76 CO 0.05 0.44 -0.05 0.71 -0.36 0.00 0.00 175.35 176.14 3kpa s TYR 77 N -0.71 1.65 -0.05 4.03 2.02 0.06 -4.67 117.35 119.68 3kpa s TYR 77 Ca 0.39 -1.02 -0.00 0.00 -0.37 0.00 0.00 57.07 56.07 3kpa s TYR 77 Cb -0.23 -1.30 -0.03 0.00 -0.40 0.00 0.00 41.96 40.00 3kpa s TYR 77 CO 0.27 -0.60 -0.01 -2.00 -1.57 0.00 0.00 175.55 171.64 3kpa s GLU 78 N 1.65 2.87 0.02 -0.62 2.12 -1.26 -1.76 118.70 121.72 3kpa s GLU 78 Ca 0.01 -0.51 0.03 0.00 0.36 0.00 0.00 54.97 54.86 3kpa s GLU 78 Cb -0.15 -2.71 -0.02 0.00 0.26 0.00 0.00 34.13 31.51 3kpa s GLU 78 CO -0.08 0.67 -0.10 -0.06 -0.54 0.00 0.00 175.26 175.15 3kpa s PHE 79 N -0.96 0.87 1.26 5.30 0.40 0.72 -4.98 117.98 120.59 3kpa s PHE 79 Ca 0.16 -0.31 -0.20 0.00 -0.60 0.00 0.00 56.93 55.98 3kpa s PHE 79 Cb -0.11 -0.53 0.31 0.00 0.51 0.00 0.00 43.02 43.20 3kpa s PHE 79 CO 0.05 -0.01 1.05 -1.21 0.70 0.00 0.00 175.22 175.80 3kpa s GLU 80 N -0.92 -1.68 0.00 0.44 0.41 -1.26 -1.59 118.70 114.09 3kpa s GLU 80 Ca -0.01 0.06 0.00 0.00 -0.41 0.00 0.00 54.97 54.61 3kpa s GLU 80 Cb -0.07 -1.53 0.00 0.00 -1.78 0.00 0.00 34.13 30.75 3kpa s GLU 80 CO 0.00 -4.04 0.00 0.27 -0.49 0.00 0.00 175.26 171.00 3kpa n ASN 82 N -5.02 0.00 -3.68 -0.19 0.23 -0.77 -4.10 115.26 101.73 3kpa n ASN 82 Ca 0.12 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 54.03 3kpa n ASN 82 Cb 0.59 0.00 -0.08 0.00 -2.08 0.00 0.00 39.78 38.21 3kpa n ASN 82 CO 0.00 0.00 0.00 0.72 -0.93 0.00 0.00 177.26 177.05 3kpa s PHE 83 N -2.00 -0.47 0.01 -2.53 -0.71 -0.36 -0.84 117.98 111.08 3kpa s PHE 83 Ca 0.00 1.00 -0.06 0.00 -1.04 0.00 0.00 56.93 56.83 3kpa s PHE 83 Cb 0.00 0.21 -0.05 0.00 -1.21 0.00 0.00 43.02 41.97 3kpa s PHE 83 CO 0.00 -0.37 0.25 -0.51 -1.34 0.00 0.00 175.22 173.25 3kpa s ASP 84 N -0.49 6.46 -0.27 1.98 1.01 -1.26 -0.35 116.67 123.75 3kpa s ASP 84 Ca -0.06 0.51 -0.22 0.00 0.71 0.00 0.00 52.55 53.48 3kpa s ASP 84 Cb -0.03 -2.07 -0.01 0.00 1.01 0.00 0.00 42.92 41.82 3kpa s ASP 84 CO 0.04 0.25 0.72 -0.63 0.21 0.00 0.00 175.17 175.75 3kpa s ILE 85 N -1.31 4.90 0.67 0.77 -1.09 0.19 -4.36 121.20 120.97 3kpa s ILE 85 Ca 0.28 1.23 -0.12 0.00 -2.23 0.00 0.00 60.65 59.81 3kpa s ILE 85 Cb -0.13 -4.03 -0.00 0.00 -1.58 0.00 0.00 42.46 36.71 3kpa s ILE 85 CO 0.17 -0.07 1.06 -2.16 -1.23 0.00 0.00 174.94 172.70 3kpa s PRO 86 N 2.70 3.06 0.63 2.79 0.04 -1.26 -4.91 135.00 138.05 3kpa s PRO 86 Ca 0.30 0.99 0.39 0.00 0.04 0.00 0.00 61.00 62.72 3kpa s PRO 86 Cb -0.15 -2.00 2.13 0.00 0.04 0.00 0.00 34.50 34.52 3kpa s PRO 86 CO 0.09 -1.00 2.29 -0.24 0.04 0.00 0.00 177.00 178.18 3kpa h VAL 87 N -0.46 0.16 -0.67 -0.36 3.04 -1.96 -1.65 116.25 114.35 3kpa h VAL 87 Ca -0.44 -0.09 0.00 0.00 -1.01 0.00 0.00 66.70 65.15 3kpa h VAL 87 Cb 1.21 1.08 0.00 0.00 -2.01 0.00 0.00 31.29 31.57 3kpa h VAL 87 CO 0.57 0.01 0.00 0.35 -1.01 0.00 0.00 177.57 177.49 3kpa n THR 88 N -3.29 1.11 -2.11 3.17 -2.24 -1.26 -4.58 114.28 105.08 3kpa n THR 88 Ca -0.03 -0.96 -0.36 0.00 -2.27 0.00 0.00 64.05 60.43 3kpa n THR 88 Cb 0.11 0.37 0.02 0.00 -2.10 0.00 0.00 70.33 68.73 3kpa n THR 88 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 3kpa s TYR 89 N -1.26 2.50 -1.17 4.78 6.14 -0.62 -1.49 117.35 126.23 3kpa s TYR 89 Ca 0.47 1.52 0.29 0.00 0.64 0.00 0.00 57.07 59.99 3kpa s TYR 89 Cb 0.26 -3.41 1.34 0.00 0.42 0.00 0.00 41.96 40.57 3kpa s TYR 89 CO 0.29 -1.97 1.97 -0.35 0.64 0.00 0.00 175.55 176.13 3kpa n PRO 90 N -1.46 0.17 0.03 4.97 -0.04 -1.26 -3.53 135.00 133.87 3kpa n PRO 90 Ca 0.13 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.49 3kpa n PRO 90 Cb 0.50 -1.50 -0.04 0.00 -0.04 0.00 0.00 33.50 32.42 3kpa n PRO 90 CO 0.00 0.00 0.00 0.37 -0.04 0.00 0.00 175.50 175.83 3kpa h GLN 91 N 0.00 -0.30 -5.65 0.54 4.15 -1.86 -3.37 115.11 108.62 3kpa h GLN 91 Ca 0.00 0.02 -0.61 0.00 0.77 0.00 0.00 58.65 58.84 3kpa h GLN 91 Cb 0.41 0.07 -0.10 0.00 0.21 0.00 0.00 27.48 28.07 3kpa h GLN 91 CO 0.00 -0.20 0.30 0.00 -1.93 0.00 0.00 178.83 177.00 3kpa s ALA 92 N -6.09 3.59 0.63 3.38 0.00 -0.55 -4.85 121.76 117.87 3kpa s ALA 92 Ca -0.15 -0.38 -0.14 0.00 0.00 0.00 0.00 51.96 51.29 3kpa s ALA 92 Cb 0.10 -3.18 -0.02 0.00 0.00 0.00 0.00 23.12 20.02 3kpa s ALA 92 CO 0.67 -0.98 1.06 -1.25 0.00 0.00 0.00 175.76 175.27 3kpa s PRO 93 N 2.72 3.15 0.70 0.00 0.04 -1.26 -3.94 135.00 136.41 3kpa s PRO 93 Ca 0.30 1.18 -0.12 0.00 0.04 0.00 0.00 61.00 62.39 3kpa s PRO 93 Cb -0.15 -2.01 0.02 0.00 0.04 0.00 0.00 34.50 32.40 3kpa s PRO 93 CO 0.10 -0.95 1.08 -1.25 0.04 0.00 0.00 177.00 176.02 3kpa s PRO 94 N -4.29 2.70 -0.22 0.56 0.04 -1.26 -4.89 135.00 127.64 3kpa s PRO 94 Ca 0.63 1.18 -0.07 0.00 0.04 0.00 0.00 61.00 62.78 3kpa s PRO 94 Cb -0.16 -1.95 -0.03 0.00 0.04 0.00 0.00 34.50 32.40 3kpa s PRO 94 CO 0.42 -1.30 0.05 -1.21 0.04 0.00 0.00 177.00 174.99 3kpa s GLU 95 N -4.61 3.72 -0.26 4.56 2.02 -1.26 -5.07 118.70 117.80 3kpa s GLU 95 Ca 0.62 -0.46 -0.17 0.00 0.02 0.00 0.00 54.97 54.98 3kpa s GLU 95 Cb -0.17 -3.22 -0.03 0.00 0.10 0.00 0.00 34.13 30.81 3kpa s GLU 95 CO 0.49 -0.01 0.48 0.42 0.02 0.00 0.00 175.26 176.66 3kpa s ILE 96 N 1.11 5.10 -0.08 -1.63 1.01 -1.26 -4.41 121.20 121.04 3kpa s ILE 96 Ca 0.04 0.80 -0.13 0.00 0.00 0.00 0.00 60.65 61.35 3kpa s ILE 96 Cb -0.14 -3.79 -0.05 0.00 0.01 0.00 0.00 42.46 38.49 3kpa s ILE 96 CO 0.03 0.11 0.33 0.00 0.00 0.00 0.00 174.94 175.41 3kpa s ALA 97 N 2.22 3.68 -0.56 9.38 0.00 -0.02 -1.21 121.76 135.25 3kpa s ALA 97 Ca 0.20 -0.36 0.04 0.00 0.00 0.00 0.00 51.96 51.83 3kpa s ALA 97 Cb -0.16 -2.33 0.15 0.00 0.00 0.00 0.00 23.12 20.78 3kpa s ALA 97 CO 0.09 0.35 0.36 -0.51 0.00 0.00 0.00 175.76 176.05 3kpa s LEU 98 N -0.47 3.82 0.36 0.00 1.43 -0.36 -1.85 118.68 121.61 3kpa s LEU 98 Ca 0.20 -3.27 0.07 0.00 -1.03 0.00 0.00 54.13 50.10 3kpa s LEU 98 Cb -0.15 -1.36 0.70 0.00 0.03 0.00 0.00 46.19 45.41 3kpa s LEU 98 CO 0.09 -0.17 1.89 -0.65 0.23 0.00 0.00 176.35 177.73 3kpa h PRO 99 N 6.01 0.36 0.00 1.29 0.11 -1.78 -1.95 132.00 136.05 3kpa h PRO 99 Ca 0.07 -0.08 0.00 0.00 0.11 0.00 0.00 66.00 66.09 3kpa h PRO 99 Cb 0.85 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 31.91 3kpa h PRO 99 CO 0.62 0.46 0.00 0.39 -0.21 0.00 0.00 178.00 179.26 3kpa n GLU 100 N -4.27 0.12 0.00 1.05 1.02 -1.26 -2.29 120.64 115.01 3kpa n GLU 100 Ca 0.00 0.30 0.11 0.00 -0.02 0.00 0.00 57.16 57.56 3kpa n GLU 100 Cb 0.26 -1.71 0.09 0.00 -0.02 0.00 0.00 31.44 30.06 3kpa n GLU 100 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 3kpa n LEU 101 N -1.94 1.39 -4.73 -4.62 4.77 -0.73 -4.90 117.00 106.23 3kpa n LEU 101 Ca 0.03 -0.50 -0.42 0.00 -0.03 0.00 0.00 56.01 55.10 3kpa n LEU 101 Cb 0.25 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 41.26 3kpa n LEU 101 CO 0.20 0.28 1.29 -0.70 -1.33 0.00 0.00 177.39 177.12 3kpa s GLU 102 N -2.66 4.14 0.00 3.23 2.12 -0.97 -1.82 118.70 122.74 3kpa s GLU 102 Ca 0.17 2.55 0.00 0.00 0.36 0.00 0.00 54.97 58.05 3kpa s GLU 102 Cb 0.18 -3.06 0.00 0.00 0.26 0.00 0.00 34.13 31.51 3kpa s GLU 102 CO 0.64 -0.67 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 3kpa n GLY 103 N 3.07 3.36 0.21 -1.50 0.00 -1.26 -4.88 105.19 104.19 3kpa n GLY 103 Ca 0.12 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.22 3kpa n GLY 103 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3kpa n LYS 104 N -1.87 1.48 -3.90 1.61 4.01 -0.76 -4.97 118.16 113.76 3kpa n LYS 104 Ca 0.00 -0.46 -0.10 0.00 -0.51 0.00 0.00 58.31 57.24 3kpa n LYS 104 Cb 0.00 -1.32 -0.09 0.00 -0.51 0.00 0.00 35.03 33.11 3kpa n LYS 104 CO 0.00 0.00 0.00 -0.08 -1.11 0.00 0.00 177.40 176.21 3kpa s THR 105 N -2.32 0.11 -0.77 -0.18 -1.32 -1.24 -5.04 115.64 104.89 3kpa s THR 105 Ca 0.11 -0.92 0.23 0.00 -1.21 0.00 0.00 61.69 59.90 3kpa s THR 105 Cb 0.14 -0.71 -0.07 0.00 -1.51 0.00 0.00 72.50 70.35 3kpa s THR 105 CO 0.57 -0.51 1.16 1.33 -2.21 0.00 0.00 174.62 174.96 3kpa n VAL 106 N 1.03 0.13 -2.64 5.08 0.24 -1.26 -4.97 118.33 115.94 3kpa n VAL 106 Ca -0.21 -0.15 -0.43 0.00 -2.04 0.00 0.00 64.34 61.51 3kpa n VAL 106 Cb 0.57 0.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.21 3kpa n VAL 106 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 3kpa n LYS 107 N -1.80 3.39 -4.40 7.34 4.76 -1.26 -5.00 118.16 121.18 3kpa n LYS 107 Ca 0.03 -3.60 -0.29 0.00 -2.87 0.00 0.00 58.31 51.58 3kpa n LYS 107 Cb 0.40 -3.08 -0.12 0.00 -1.84 0.00 0.00 35.03 30.38 3kpa n LYS 107 CO 0.00 0.00 0.00 0.71 -1.37 0.00 0.00 177.40 176.74 3kpa s TYR 109 N 1.66 2.42 0.06 2.13 1.51 0.35 -1.98 117.35 123.50 3kpa s TYR 109 Ca 0.44 -0.32 -0.34 0.00 -1.01 0.00 0.00 57.07 55.83 3kpa s TYR 109 Cb 0.03 -1.31 -0.13 0.00 -0.11 0.00 0.00 41.96 40.43 3kpa s TYR 109 CO 0.01 0.34 1.66 -2.13 -1.11 0.00 0.00 175.55 174.32 3kpa n ARG 110 N 0.95 2.04 0.00 -0.62 0.63 -1.26 -1.70 116.66 116.71 3kpa n ARG 110 Ca -0.17 0.74 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 3kpa n ARG 110 Cb 0.53 -2.52 0.00 0.00 0.45 0.00 0.00 32.46 30.91 3kpa n ARG 110 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3kpa n GLY 111 N 3.69 3.19 0.00 5.14 0.00 -1.26 -4.75 105.19 111.20 3kpa n GLY 111 Ca 0.19 -1.12 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3kpa n GLY 111 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3kpa n GLY 112 N 0.00 0.56 3.71 -0.02 0.00 -0.69 -4.94 105.19 103.82 3kpa n GLY 112 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.63 3kpa n GLY 112 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3kpa s LYS 113 N 0.00 4.37 0.53 1.61 -0.14 -1.21 -1.22 119.74 123.68 3kpa s LYS 113 Ca 0.00 0.63 -0.21 0.00 -1.36 0.00 0.00 55.97 55.02 3kpa s LYS 113 Cb 0.00 -3.45 -0.05 0.00 -1.68 0.00 0.00 37.83 32.65 3kpa s LYS 113 CO 0.00 0.09 1.25 0.96 -0.76 0.00 0.00 175.35 176.90 3kpa s ILE 114 N 0.79 2.56 0.52 2.17 -4.36 -0.35 -0.49 121.20 122.04 3kpa s ILE 114 Ca 0.31 0.40 -0.00 0.00 -0.26 0.00 0.00 60.65 61.09 3kpa s ILE 114 Cb -0.16 -3.19 0.02 0.00 1.25 0.00 0.00 42.46 40.37 3kpa s ILE 114 CO 0.13 -0.02 0.76 0.00 0.24 0.00 0.00 174.94 176.05 3kpa s THR 117 N -2.73 4.93 0.55 0.00 -4.23 -1.26 -5.00 115.64 107.91 3kpa s THR 117 Ca 0.54 0.85 0.22 0.00 -1.18 0.00 0.00 61.69 62.11 3kpa s THR 117 Cb -0.10 -3.74 0.31 0.00 1.34 0.00 0.00 72.50 70.30 3kpa s THR 117 CO 0.39 0.43 2.18 0.00 -0.54 0.00 0.00 174.62 177.08 3kpa h THR 118 N 3.28 0.79 0.00 3.99 1.03 -2.04 -1.76 112.91 118.20 3kpa h THR 118 Ca -0.50 0.00 -0.04 0.00 -0.01 0.00 0.00 66.41 65.86 3kpa h THR 118 Cb 1.21 0.98 -0.01 0.00 -1.07 0.00 0.00 68.15 69.26 3kpa h THR 118 CO 0.64 0.00 -0.19 0.45 -0.01 0.00 0.00 175.52 176.41 3kpa h HIS 119 N 0.00 0.00 -0.52 0.00 3.86 -2.03 -3.28 115.15 113.18 3kpa h HIS 119 Ca 0.02 0.00 -0.02 0.00 -1.16 0.00 0.00 60.37 59.21 3kpa h HIS 119 Cb 0.07 0.00 -0.02 0.00 1.06 0.00 0.00 27.41 28.52 3kpa h HIS 119 CO 0.00 0.19 0.24 0.35 0.86 0.00 0.00 177.93 179.57 3kpa h PHE 120 N 0.00 0.76 -0.25 2.45 3.57 -1.67 -2.95 116.94 118.84 3kpa h PHE 120 Ca -0.00 -0.04 -0.06 0.00 3.53 0.00 0.00 57.97 61.40 3kpa h PHE 120 Cb 0.59 -0.23 -0.01 0.00 2.79 0.00 0.00 35.95 39.09 3kpa h PHE 120 CO 0.00 0.60 -0.06 0.74 -2.23 0.00 0.00 178.31 177.36 3kpa h PHE 121 N 0.70 0.55 -0.06 0.41 0.04 -1.73 0.26 116.94 117.10 3kpa h PHE 121 Ca 0.18 -0.12 0.01 0.00 2.80 0.00 0.00 57.97 60.84 3kpa h PHE 121 Cb 0.13 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3kpa h PHE 121 CO -0.00 0.70 -0.03 -1.35 -0.60 0.00 0.00 178.31 177.03 3kpa h PRO 122 N 0.23 -0.02 -0.39 1.51 0.11 -1.76 -0.84 132.00 130.84 3kpa h PRO 122 Ca 0.06 0.00 0.08 0.00 0.11 0.00 0.00 66.00 66.25 3kpa h PRO 122 Cb 0.53 0.00 -0.07 0.00 0.11 0.00 0.00 31.00 31.57 3kpa h PRO 122 CO 0.02 -0.01 -0.09 1.25 -0.21 0.00 0.00 178.00 178.96 3kpa h LEU 123 N -0.02 -0.35 0.23 2.35 5.85 -1.32 -2.44 115.31 119.61 3kpa h LEU 123 Ca 0.03 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3kpa h LEU 123 Cb 0.07 0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 3kpa h LEU 123 CO -0.08 -0.12 -0.23 -0.25 -0.34 0.00 0.00 178.44 177.42 3kpa h TRP 124 N 0.01 -0.62 -0.97 1.25 2.91 -0.36 -3.00 115.95 115.17 3kpa h TRP 124 Ca 0.19 0.00 0.15 0.00 1.13 0.00 0.00 58.89 60.36 3kpa h TRP 124 Cb 0.29 0.24 -0.09 0.00 -0.51 0.00 0.00 29.16 29.08 3kpa h TRP 124 CO -0.35 -0.34 0.58 0.00 -1.03 0.00 0.00 178.44 177.30 3kpa h ALA 125 N 0.19 1.52 -0.00 2.65 0.00 -0.81 -0.80 119.26 122.01 3kpa h ALA 125 Ca -0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.96 3kpa h ALA 125 Cb 0.46 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.13 3kpa h ALA 125 CO -0.05 0.06 -0.12 2.89 0.00 0.00 0.00 179.25 182.02 3kpa n ARG 126 N -4.73 0.04 -0.21 0.00 1.85 -0.95 -3.33 116.66 109.33 3kpa n ARG 126 Ca 0.20 -0.01 0.09 0.00 -1.00 0.00 0.00 57.85 57.13 3kpa n ARG 126 Cb 0.45 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.56 3kpa n ARG 126 CO 0.00 0.00 0.00 0.09 -0.01 0.00 0.00 177.63 177.71 3kpa n ASN 127 N -1.48 3.21 -4.73 2.89 3.02 -0.33 -4.97 115.26 112.87 3kpa n ASN 127 Ca 0.07 -1.93 -0.42 0.00 -0.03 0.00 0.00 54.58 52.28 3kpa n ASN 127 Cb 0.33 -0.27 -0.03 0.00 -0.61 0.00 0.00 39.78 39.20 3kpa n ASN 127 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3kpa s VAL 128 N -1.13 3.12 -0.63 2.41 1.01 -1.04 0.65 120.40 124.80 3kpa s VAL 128 Ca 0.33 0.89 0.14 0.00 0.00 0.00 0.00 61.98 63.33 3kpa s VAL 128 Cb 0.18 -3.57 0.70 0.00 0.00 0.00 0.00 36.38 33.69 3kpa s VAL 128 CO 0.24 0.11 1.58 -0.81 0.00 0.00 0.00 175.10 176.23 3kpa n PRO 129 N 3.00 4.11 0.22 2.72 -0.04 -1.26 -4.98 135.00 138.78 3kpa n PRO 129 Ca 0.08 -2.71 0.14 0.00 -0.04 0.00 0.00 63.50 60.97 3kpa n PRO 129 Cb 0.42 -2.06 0.39 0.00 -0.04 0.00 0.00 33.50 32.21 3kpa n PRO 129 CO 0.00 0.00 0.00 1.88 -0.04 0.00 0.00 175.50 177.34 3kpa h TYR 130 N 3.58 0.00 -2.99 0.54 0.05 0.06 -3.42 116.97 114.78 3kpa h TYR 130 Ca 0.00 0.00 -0.61 0.00 0.05 0.00 0.00 58.73 58.17 3kpa h TYR 130 Cb 1.65 0.00 -0.04 0.00 1.01 0.00 0.00 36.73 39.34 3kpa h TYR 130 CO 0.88 0.00 -0.39 -0.06 -1.05 0.00 0.00 178.16 177.53 3kpa s PHE 131 N -3.36 3.53 0.00 4.88 0.40 -1.15 -0.82 117.98 121.45 3kpa s PHE 131 Ca 0.05 0.48 0.00 0.00 -0.60 0.00 0.00 56.93 56.86 3kpa s PHE 131 Cb 0.07 -1.93 0.00 0.00 0.51 0.00 0.00 43.02 41.67 3kpa s PHE 131 CO 0.60 0.55 0.00 0.41 0.70 0.00 0.00 175.22 177.48 3kpa n GLY 132 N 0.55 5.55 0.32 4.36 0.00 -1.26 -4.89 105.19 109.81 3kpa n GLY 132 Ca -0.07 -1.41 0.03 0.00 0.00 0.00 0.00 46.02 44.57 3kpa n GLY 132 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3kpa h ILE 133 N 0.00 1.13 -0.46 -0.61 2.04 -1.99 -1.48 117.51 116.14 3kpa h ILE 133 Ca 0.00 -0.24 0.00 0.00 1.00 0.00 0.00 64.86 65.62 3kpa h ILE 133 Cb 0.00 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3kpa h ILE 133 CO 0.00 0.13 0.31 0.77 0.00 0.00 0.00 178.15 179.36 3kpa h SER 134 N 0.71 0.53 -0.30 1.72 4.64 -1.91 -2.14 113.55 116.80 3kpa h SER 134 Ca 0.19 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.39 3kpa h SER 134 Cb -0.08 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3kpa h SER 134 CO -0.04 0.39 -0.18 0.45 -0.87 0.00 0.00 176.83 176.58 3kpa h HIS 135 N 0.63 0.85 -0.75 4.77 3.86 -1.68 -0.58 115.15 122.24 3kpa h HIS 135 Ca 0.17 -0.18 -0.00 0.00 -1.16 0.00 0.00 60.37 59.20 3kpa h HIS 135 Cb -0.07 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.15 3kpa h HIS 135 CO -0.04 0.88 0.46 0.28 0.86 0.00 0.00 177.93 180.37 3kpa h VAL 136 N 0.67 1.21 0.39 2.45 2.07 -1.11 -0.19 116.25 121.75 3kpa h VAL 136 Ca 0.10 -0.45 -0.02 0.00 0.82 0.00 0.00 66.70 67.15 3kpa h VAL 136 Cb 0.67 0.15 0.00 0.00 -1.52 0.00 0.00 31.29 30.59 3kpa h VAL 136 CO 0.05 0.22 -0.19 -0.07 0.02 0.00 0.00 177.57 177.60 3kpa h LEU 137 N 1.03 -0.44 -1.75 2.57 3.38 -1.10 0.63 115.31 119.62 3kpa h LEU 137 Ca 0.27 -0.10 -0.02 0.00 0.09 0.00 0.00 57.88 58.12 3kpa h LEU 137 Cb -0.05 0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.81 3kpa h LEU 137 CO -0.05 -0.14 -0.07 0.00 0.09 0.00 0.00 178.44 178.26 3kpa h ALA 138 N -0.26 1.80 0.00 1.53 0.00 -0.95 -0.95 119.26 120.43 3kpa h ALA 138 Ca -0.05 -0.10 -0.00 0.00 0.00 0.00 0.00 54.91 54.76 3kpa h ALA 138 Cb 0.52 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.28 3kpa h ALA 138 CO 0.09 0.15 -1.45 1.28 0.00 0.00 0.00 179.25 179.32 3kpa n LEU 139 N -4.41 0.00 -0.01 0.00 4.77 -0.10 -4.48 117.00 112.77 3kpa n LEU 139 Ca -0.02 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.94 3kpa n LEU 139 Cb 0.17 0.00 -0.01 0.00 -2.33 0.00 0.00 43.42 41.26 3kpa n LEU 139 CO 0.36 0.00 -0.13 0.61 -1.33 0.00 0.00 177.39 176.90 3kpa n GLY 140 N 1.95 -0.32 0.11 -0.72 0.00 0.19 -4.68 105.19 101.72 3kpa n GLY 140 Ca -0.02 -0.06 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 3kpa n GLY 140 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3kpa h LEU 141 N -0.19 0.27 -0.09 0.99 5.85 -1.24 -2.66 115.31 118.23 3kpa h LEU 141 Ca 0.00 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.25 3kpa h LEU 141 Cb 0.19 -0.08 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3kpa h LEU 141 CO 0.00 0.72 -0.16 1.23 -0.34 0.00 0.00 178.44 179.89 3kpa h GLY 142 N -0.17 -0.13 1.00 3.75 0.00 -1.42 0.23 103.07 106.33 3kpa h GLY 142 Ca 0.01 0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3kpa h GLY 142 CO 0.03 -0.16 0.45 -2.55 0.00 0.00 0.00 176.54 174.31 3kpa h PRO 143 N -0.22 0.94 0.22 4.80 0.11 -1.78 0.11 132.00 136.18 3kpa h PRO 143 Ca 0.08 -0.07 0.01 0.00 0.11 0.00 0.00 66.00 66.13 3kpa h PRO 143 Cb 0.34 -0.20 -0.03 0.00 0.11 0.00 0.00 31.00 31.21 3kpa h PRO 143 CO -0.22 0.65 -0.34 2.35 -0.21 0.00 0.00 178.00 180.23 3kpa h TRP 144 N 0.96 -0.92 -0.15 0.65 7.01 -1.04 -1.57 115.95 120.89 3kpa h TRP 144 Ca 0.26 0.01 0.05 0.00 2.11 0.00 0.00 58.89 61.32 3kpa h TRP 144 Cb -0.07 0.37 -0.06 0.00 -2.10 0.00 0.00 29.16 27.30 3kpa h TRP 144 CO -0.02 -0.46 -0.27 -0.07 -2.79 0.00 0.00 178.44 174.83 3kpa h LEU 145 N -0.63 -0.84 -1.97 0.65 3.38 -0.42 0.22 115.31 115.70 3kpa h LEU 145 Ca 0.01 0.13 0.18 0.00 0.09 0.00 0.00 57.88 58.29 3kpa h LEU 145 Cb 0.61 0.37 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 3kpa h LEU 145 CO -0.13 -0.31 0.45 -1.28 0.09 0.00 0.00 178.44 177.25 3kpa h SER 146 N -0.33 0.03 0.01 -0.43 0.87 -0.69 -1.55 113.55 111.46 3kpa h SER 146 Ca 0.11 0.00 -0.41 0.00 -1.23 0.00 0.00 61.79 60.26 3kpa h SER 146 Cb 0.49 -0.00 -0.06 0.00 -0.44 0.00 0.00 62.40 62.38 3kpa h SER 146 CO -0.34 0.01 -2.35 0.00 -0.53 0.00 0.00 176.83 173.62 3kpa n ILE 147 N -4.36 1.54 0.10 2.23 0.00 -0.62 -4.62 119.36 113.63 3kpa n ILE 147 Ca 0.12 -0.43 -0.01 0.00 0.00 0.00 0.00 62.75 62.44 3kpa n ILE 147 Cb 0.69 -1.74 -0.03 0.00 0.00 0.00 0.00 39.64 38.55 3kpa n ILE 147 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 176.55 176.22 3kpa h GLU 148 N -0.61 0.00 -0.12 9.51 4.39 -0.48 -3.33 114.58 123.93 3kpa h GLU 148 Ca -0.61 0.00 -0.03 0.00 0.34 0.00 0.00 59.36 59.06 3kpa h GLU 148 Cb 1.70 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 30.35 3kpa h GLU 148 CO -0.26 0.61 -0.06 0.28 -1.16 0.00 0.00 179.01 178.42 3kpa h VAL 149 N 0.00 1.32 -0.56 3.13 2.07 -1.46 -3.18 116.25 117.57 3kpa h VAL 149 Ca -0.04 -1.08 0.11 0.00 0.82 0.00 0.00 66.70 66.52 3kpa h VAL 149 Cb 1.54 1.78 -0.10 0.00 -1.52 0.00 0.00 31.29 32.99 3kpa h VAL 149 CO 0.08 0.31 -0.09 -0.65 0.02 0.00 0.00 177.57 177.24 3kpa h PRO 150 N -0.10 0.04 -0.59 1.57 0.11 -1.77 -0.53 132.00 130.73 3kpa h PRO 150 Ca 0.03 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3kpa h PRO 150 Cb 0.51 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 31.61 3kpa h PRO 150 CO 0.02 0.03 0.00 0.00 -0.21 0.00 0.00 178.00 177.83 3kpa n ALA 151 N -2.87 1.03 0.00 -0.75 0.00 -1.20 -1.59 120.51 115.12 3kpa n ALA 151 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 3kpa n ALA 151 Cb 0.31 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3kpa n ALA 151 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3kpa n VAL 153 N 0.60 0.00 0.25 0.00 0.31 -0.21 -2.32 118.33 116.96 3kpa n VAL 153 Ca 0.00 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.46 3kpa n VAL 153 Cb 0.00 0.00 0.62 0.00 -0.91 0.00 0.00 33.84 33.55 3kpa n VAL 153 CO 0.00 0.00 0.00 -0.33 -1.32 0.00 0.00 176.83 175.18 3kpa h GLU 154 N 0.00 0.00 -0.01 5.55 4.39 -1.55 -1.84 114.58 121.13 3kpa h GLU 154 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 3kpa h GLU 154 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 3kpa h GLU 154 CO 0.00 0.15 -0.06 0.39 -1.16 0.00 0.00 179.01 178.33 3kpa n GLU 155 N -3.43 1.02 -1.00 2.33 1.02 -0.98 -4.93 120.64 114.68 3kpa n GLU 155 Ca -0.01 -0.37 -0.00 0.00 -0.02 0.00 0.00 57.16 56.77 3kpa n GLU 155 Cb 0.33 -1.49 -0.00 0.00 -0.02 0.00 0.00 31.44 30.25 3kpa n GLU 155 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3kpa n GLY 156 N 1.18 0.45 0.00 0.62 0.00 -0.69 -4.93 105.19 101.83 3kpa n GLY 156 Ca 0.18 -0.04 0.14 0.00 0.00 0.00 0.00 46.02 46.30 3kpa n GLY 156 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 3kpa n TYR 157 N -2.90 0.00 -4.36 1.61 4.01 -1.26 -4.79 117.16 109.47 3kpa n TYR 157 Ca -0.00 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.53 3kpa n TYR 157 Cb 0.05 -0.46 -0.16 0.00 -0.31 0.00 0.00 39.34 38.46 3kpa n TYR 157 CO 0.00 0.00 0.00 -0.51 -0.46 0.00 0.00 176.86 175.89 3kpa s LEU 158 N -2.96 1.70 0.19 7.72 1.43 -1.26 -5.02 118.68 120.48 3kpa s LEU 158 Ca 0.15 -0.18 -0.04 0.00 -1.03 0.00 0.00 54.13 53.03 3kpa s LEU 158 Cb 0.19 -0.54 -0.05 0.00 0.03 0.00 0.00 46.19 45.81 3kpa s LEU 158 CO 0.53 0.04 0.42 -1.59 0.23 0.00 0.00 176.35 175.98 3kpa s LYS 159 N 0.36 3.60 0.00 1.70 0.00 -1.26 -4.84 119.74 119.29 3kpa s LYS 159 Ca -0.06 -0.14 0.02 0.00 0.00 0.00 0.00 55.97 55.80 3kpa s LYS 159 Cb -0.10 -2.80 0.14 0.00 0.00 0.00 0.00 37.83 35.07 3kpa s LYS 159 CO 0.01 0.39 0.63 -2.30 0.00 0.00 0.00 175.35 174.07