#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 6.56 0.13 0.00 1.47 -1.26 -5.07 116.67 118.50 2kgl s ASP 2 Ca 0.00 0.95 0.06 0.00 1.18 0.00 0.00 52.55 54.74 2kgl s ASP 2 Cb 0.00 -2.24 -0.04 0.00 -0.34 0.00 0.00 42.92 40.30 2kgl s ASP 2 CO 0.00 -0.20 -0.03 0.42 0.68 0.00 0.00 175.17 176.04 2kgl s THR 3 N -2.05 3.73 0.02 2.11 -4.23 -1.26 -5.05 115.64 108.92 2kgl s THR 3 Ca 0.48 -1.23 -0.22 0.00 -1.18 0.00 0.00 61.69 59.54 2kgl s THR 3 Cb -0.11 -2.81 -0.17 0.00 1.34 0.00 0.00 72.50 70.76 2kgl s THR 3 CO 0.26 0.03 1.32 1.55 -0.54 0.00 0.00 174.62 177.23 2kgl h PRO 4 N 3.21 0.23 0.00 3.99 0.13 -1.98 -3.47 132.00 134.10 2kgl h PRO 4 Ca -0.48 -0.12 0.00 0.00 -0.87 0.00 0.00 66.00 64.53 2kgl h PRO 4 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 2kgl h PRO 4 CO 0.57 0.65 0.00 0.41 -0.23 0.00 0.00 178.00 179.40 2kgl n GLY 5 N 0.21 2.22 0.13 1.56 0.00 -1.26 -4.97 105.19 103.07 2kgl n GLY 5 Ca -0.07 -1.37 0.00 0.00 0.00 0.00 0.00 46.02 44.58 2kgl n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kgl n GLU 6 N 2.35 0.00 -2.30 1.61 0.28 -1.26 -5.01 120.64 116.30 2kgl n GLU 6 Ca 0.00 0.00 -0.41 0.00 -0.16 0.00 0.00 57.16 56.59 2kgl n GLU 6 Cb 0.00 0.00 0.00 0.00 1.43 0.00 0.00 31.44 32.87 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kgl n ALA 7 N -1.09 6.03 -2.37 -1.84 0.00 -1.26 -4.95 120.51 115.03 2kgl n ALA 7 Ca 0.00 -4.31 -0.29 0.00 0.00 0.00 0.00 53.44 48.84 2kgl n ALA 7 Cb 0.00 -2.73 -0.14 0.00 0.00 0.00 0.00 19.45 16.58 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N -1.14 2.20 0.96 0.00 -1.32 -1.26 -5.14 115.64 109.93 2kgl s THR 8 Ca 0.44 -1.60 -0.12 0.00 -1.21 0.00 0.00 61.69 59.21 2kgl s THR 8 Cb 0.14 -1.92 0.17 0.00 -1.51 0.00 0.00 72.50 69.38 2kgl s THR 8 CO -0.04 0.20 1.09 -2.16 -2.21 0.00 0.00 174.62 171.51 2kgl s PRO 9 N -1.71 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.81 2kgl s PRO 9 Ca 0.13 0.64 -0.12 0.00 0.04 0.00 0.00 61.00 61.68 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.04 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.37 2kgl s PRO 10 N -4.95 0.73 -1.12 0.56 0.04 -1.26 -4.88 135.00 124.12 2kgl s PRO 10 Ca 0.65 0.64 -0.23 0.00 0.04 0.00 0.00 61.00 62.10 2kgl s PRO 10 Cb -0.18 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2kgl s PRO 10 CO 0.57 -2.55 1.93 -0.35 0.04 0.00 0.00 177.00 176.64 2kgl n PRO 11 N -4.07 1.58 -0.04 0.56 -0.04 -1.26 -4.71 135.00 127.02 2kgl n PRO 11 Ca 0.06 -2.38 -0.10 0.00 -0.04 0.00 0.00 63.50 61.04 2kgl n PRO 11 Cb 0.56 -3.61 0.05 0.00 -0.04 0.00 0.00 33.50 30.46 2kgl n PRO 11 CO 0.00 0.00 0.00 -0.09 -0.04 0.00 0.00 175.50 175.37 2kgl h ARG 12 N 9.43 0.70 0.00 0.54 9.65 -2.01 -3.40 114.38 129.29 2kgl h ARG 12 Ca 0.25 -0.38 -0.06 0.00 -1.10 0.00 0.00 59.98 58.69 2kgl h ARG 12 Cb 0.90 0.02 -0.06 0.00 -1.39 0.00 0.00 29.97 29.43 2kgl h ARG 12 CO 1.33 0.99 -0.16 1.63 2.80 0.00 0.00 179.97 186.57 2kgl n LYS 13 N -4.02 0.00 -0.08 0.20 5.02 -1.26 -4.91 118.16 113.10 2kgl n LYS 13 Ca -0.02 -0.50 -0.12 0.00 -2.02 0.00 0.00 58.31 55.65 2kgl n LYS 13 Cb 0.55 0.21 -0.06 0.00 -0.02 0.00 0.00 35.03 35.71 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -0.52 0.00 0.00 177.40 177.75 2kgl h LYS 14 N 0.02 0.00 -0.76 1.97 1.57 -1.85 -3.39 116.57 114.13 2kgl h LYS 14 Ca -0.25 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.40 2kgl h LYS 14 Cb 1.20 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 33.44 2kgl h LYS 14 CO -0.12 0.44 0.16 1.17 -0.57 0.00 0.00 179.45 180.52 2kgl n LYS 15 N -4.54 3.59 -0.07 3.15 0.00 -1.26 -4.05 118.16 114.97 2kgl n LYS 15 Ca -0.18 -2.56 -0.09 0.00 0.00 0.00 0.00 58.31 55.48 2kgl n LYS 15 Cb 0.44 -2.09 -0.05 0.00 0.00 0.00 0.00 35.03 33.34 2kgl n LYS 15 CO 0.00 0.00 0.00 0.22 0.00 0.00 0.00 177.40 177.62 2kgl h ASP 16 N 2.57 0.00 -5.01 3.14 3.58 -1.87 -3.51 116.42 115.32 2kgl h ASP 16 Ca 0.15 -0.24 0.01 0.00 0.42 0.00 0.00 57.03 57.38 2kgl h ASP 16 Cb 1.96 0.00 -0.13 0.00 1.72 0.00 0.00 39.33 42.88 2kgl h ASP 16 CO 0.55 0.91 -1.59 -0.38 -2.88 0.00 0.00 179.24 175.85 2kgl n ILE 17 N -4.61-13.01 -1.68 2.25 5.41 -1.26 -4.55 119.36 101.92 2kgl n ILE 17 Ca -0.12 2.77 -0.47 0.00 1.00 0.00 0.00 62.75 65.93 2kgl n ILE 17 Cb 0.33 -6.62 -0.04 0.00 -0.71 0.00 0.00 39.64 32.60 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.66 2.31 -1.29 0.38 3.00 -1.26 -0.12 116.66 121.34 2kgl n ARG 18 Ca -0.41 0.85 -0.10 0.00 -0.01 0.00 0.00 57.85 58.18 2kgl n ARG 18 Cb 0.63 -2.71 -0.04 0.00 0.00 0.00 0.00 32.46 30.34 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 6.62 -5.22 -2.57 0.55 -0.08 -0.94 -0.07 116.55 114.84 2kgl n ASP 19 Ca 0.22 0.25 -0.13 0.00 -1.51 0.00 0.00 54.79 53.61 2kgl n ASP 19 Cb 0.32 -3.59 -0.00 0.00 2.34 0.00 0.00 41.12 40.18 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 2kgl n TYR 20 N -2.37 -1.50 0.00 -0.67 4.01 0.83 -4.10 117.16 113.36 2kgl n TYR 20 Ca -0.10 0.07 0.00 0.00 -0.16 0.00 0.00 57.90 57.71 2kgl n TYR 20 Cb 0.50 -2.74 0.00 0.00 -0.31 0.00 0.00 39.34 36.79 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2kgl n ASN 21 N -1.87 0.00 0.31 7.72 4.05 -1.02 -4.94 115.26 119.51 2kgl n ASN 21 Ca -0.12 0.00 0.21 0.00 0.45 0.00 0.00 54.58 55.11 2kgl n ASN 21 Cb 0.60 0.00 1.10 0.00 1.23 0.00 0.00 39.78 42.71 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 -3.05 0.00 0.00 177.26 173.43 2kgl h ASP 22 N 0.00 0.00 -0.47 1.20 3.58 -0.63 -2.86 116.42 117.24 2kgl h ASP 22 Ca 0.00 0.00 0.09 0.00 0.42 0.00 0.00 57.03 57.54 2kgl h ASP 22 Cb 0.00 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.95 2kgl h ASP 22 CO 0.00 0.00 -0.27 0.00 -2.88 0.00 0.00 179.24 176.09 2kgl h ALA 23 N 1.97 0.00 -0.87 -0.78 0.00 -1.75 0.43 119.26 118.27 2kgl h ALA 23 Ca 0.00 0.15 0.16 0.00 0.00 0.00 0.00 54.91 55.22 2kgl h ALA 23 Cb 0.03 0.63 -0.10 0.00 0.00 0.00 0.00 17.79 18.34 2kgl h ALA 23 CO 0.00 -0.63 0.45 0.38 0.00 0.00 0.00 179.25 179.45 2kgl h ASP 24 N -0.17 0.53 -0.84 0.00 3.04 -1.85 0.02 116.42 117.15 2kgl h ASP 24 Ca 0.21 0.10 0.05 0.00 -3.24 0.00 0.00 57.03 54.15 2kgl h ASP 24 Cb 0.50 0.02 -0.06 0.00 -1.04 0.00 0.00 39.33 38.76 2kgl h ASP 24 CO -0.57 0.20 0.53 0.24 -2.04 0.00 0.00 179.24 177.60 2kgl h MET 25 N 0.61 0.97 -0.91 4.15 2.86 -1.10 -1.39 114.93 120.12 2kgl h MET 25 Ca 0.49 -0.06 0.23 0.00 -2.06 0.00 0.00 59.70 58.30 2kgl h MET 25 Cb 0.73 -0.22 -0.06 0.00 0.06 0.00 0.00 31.60 32.11 2kgl h MET 25 CO -0.39 0.64 0.62 0.00 1.06 0.00 0.00 176.91 178.84 2kgl h ALA 26 N 1.37 2.44 -0.33 6.32 0.00 -0.42 0.27 119.26 128.91 2kgl h ALA 26 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2kgl h ALA 26 Cb 0.09 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.87 2kgl h ALA 26 CO -0.14 -0.73 0.21 -0.09 0.00 0.00 0.00 179.25 178.50 2kgl h ARG 27 N 0.25 0.44 -0.72 0.00 2.43 -1.21 -2.45 114.38 113.12 2kgl h ARG 27 Ca 0.46 -0.03 0.15 0.00 -0.81 0.00 0.00 59.98 59.75 2kgl h ARG 27 Cb 1.39 -0.10 -0.10 0.00 -0.42 0.00 0.00 29.97 30.74 2kgl h ARG 27 CO -0.12 0.30 0.21 -0.07 -1.51 0.00 0.00 179.97 178.78 2kgl h LEU 28 N 0.46 0.11 -1.70 3.80 3.38 -0.54 0.24 115.31 121.04 2kgl h LEU 28 Ca 0.12 0.13 0.17 0.00 0.09 0.00 0.00 57.88 58.39 2kgl h LEU 28 Cb -0.03 0.15 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2kgl h LEU 28 CO -0.02 0.02 0.51 0.25 0.09 0.00 0.00 178.44 179.29 2kgl h LEU 29 N 0.33 0.27 -1.06 1.67 5.85 -1.56 0.27 115.31 121.07 2kgl h LEU 29 Ca 0.40 0.02 -0.10 0.00 0.84 0.00 0.00 57.88 59.04 2kgl h LEU 29 Cb 0.64 -0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 2kgl h LEU 29 CO -0.45 0.13 -0.46 -0.08 -0.34 0.00 0.00 178.44 177.23 2kgl h GLU 30 N 0.28 0.00 -0.58 1.25 4.57 -0.64 -3.14 114.58 116.31 2kgl h GLU 30 Ca 0.37 0.00 0.12 0.00 -1.18 0.00 0.00 59.36 58.67 2kgl h GLU 30 Cb 1.05 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.54 2kgl h GLU 30 CO -0.09 0.46 0.03 0.37 -1.18 0.00 0.00 179.01 178.60 2kgl h GLN 31 N 0.00 0.14 -0.95 1.92 4.15 -0.28 0.34 115.11 120.44 2kgl h GLN 31 Ca -0.00 -0.01 0.18 0.00 0.77 0.00 0.00 58.65 59.59 2kgl h GLN 31 Cb 0.83 -0.03 -0.11 0.00 0.21 0.00 0.00 27.48 28.38 2kgl h GLN 31 CO 0.06 0.10 0.54 -1.49 -1.93 0.00 0.00 178.83 176.10 2kgl h TRP 32 N 0.15 0.94 -0.00 3.99 6.55 -1.62 0.28 115.95 126.24 2kgl h TRP 32 Ca 0.30 0.04 -0.11 0.00 0.95 0.00 0.00 58.89 60.06 2kgl h TRP 32 Cb 0.48 -0.27 -0.02 0.00 -0.86 0.00 0.00 29.16 28.49 2kgl h TRP 32 CO -0.32 0.18 -0.54 0.93 -1.05 0.00 0.00 178.44 177.63 2kgl h GLU 33 N 0.67 0.00 0.00 0.49 5.08 -1.12 -2.73 114.58 116.98 2kgl h GLU 33 Ca 0.55 -0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.89 2kgl h GLU 33 Cb 0.87 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.11 2kgl h GLU 33 CO -0.40 0.55 -0.09 1.57 -1.00 0.00 0.00 179.01 179.64 2kgl h LYS 34 N 0.00 0.00 -0.65 2.33 5.09 0.46 -2.01 116.57 121.79 2kgl h LYS 34 Ca -0.01 0.00 0.07 0.00 0.09 0.00 0.00 60.65 60.81 2kgl h LYS 34 Cb 0.96 0.00 -0.06 0.00 0.10 0.00 0.00 32.23 33.23 2kgl h LYS 34 CO 0.07 0.09 0.32 0.22 -2.09 0.00 0.00 179.45 178.06 2kgl h ASP 35 N 0.00 0.44 0.19 7.07 1.82 -1.01 0.34 116.42 125.26 2kgl h ASP 35 Ca -0.00 0.05 -0.35 0.00 -0.39 0.00 0.00 57.03 56.34 2kgl h ASP 35 Cb 0.60 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 40.55 2kgl h ASP 35 CO 0.01 0.27 -2.00 -0.67 -1.61 0.00 0.00 179.24 175.25 2kgl n ASP 36 N -4.86 1.76 0.00 2.28 -0.08 -1.17 -4.61 116.55 109.87 2kgl n ASP 36 Ca 0.09 0.21 0.00 0.00 -1.51 0.00 0.00 54.79 53.58 2kgl n ASP 36 Cb 0.22 -0.58 0.00 0.00 2.34 0.00 0.00 41.12 43.10 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kgl n ASP 37 N -3.34 0.00 -2.39 1.67 8.00 -0.76 -5.04 116.55 114.69 2kgl n ASP 37 Ca -0.30 0.69 -0.00 0.00 0.71 0.00 0.00 54.79 55.88 2kgl n ASP 37 Cb 1.05 -0.44 -0.00 0.00 -0.02 0.00 0.00 41.12 41.70 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kgl n ILE 38 N -1.83 -9.58 -3.13 0.53 5.41 0.12 -5.03 119.36 105.86 2kgl n ILE 38 Ca 0.00 1.46 -0.18 0.00 1.00 0.00 0.00 62.75 65.03 2kgl n ILE 38 Cb 0.00 -6.14 -0.02 0.00 -0.71 0.00 0.00 39.64 32.77 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kgl n GLU 39 N 0.60 0.92 -3.29 0.38 4.07 -1.26 -5.12 120.64 116.94 2kgl n GLU 39 Ca -0.03 -3.14 -0.22 0.00 -0.06 0.00 0.00 57.16 53.70 2kgl n GLU 39 Cb 0.05 -1.53 0.05 0.00 -0.06 0.00 0.00 31.44 29.95 2kgl n GLU 39 CO 0.00 0.00 0.00 -2.00 -0.06 0.00 0.00 177.13 175.07 2kgl s GLU 40 N -1.80 2.24 -0.01 5.31 2.12 -1.26 -4.65 118.70 120.64 2kgl s GLU 40 Ca 0.37 -1.81 0.11 0.00 0.36 0.00 0.00 54.97 54.00 2kgl s GLU 40 Cb 0.30 -2.47 -0.17 0.00 0.26 0.00 0.00 34.13 32.06 2kgl s GLU 40 CO -0.09 -0.86 0.25 0.41 -0.54 0.00 0.00 175.26 174.43 2kgl n GLY 41 N -2.15 -0.48 2.58 -1.50 0.00 -1.23 -4.82 105.19 97.58 2kgl n GLY 41 Ca 0.11 -0.26 -0.06 0.00 0.00 0.00 0.00 46.02 45.81 2kgl n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgl n ASP 42 N -1.86 -6.85 -2.87 1.61 2.03 -1.26 -5.04 116.55 102.31 2kgl n ASP 42 Ca -0.02 0.55 -0.12 0.00 0.52 0.00 0.00 54.79 55.72 2kgl n ASP 42 Cb 0.28 -4.57 0.02 0.00 -0.72 0.00 0.00 41.12 36.13 2kgl n ASP 42 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 2kgl n LEU 43 N -0.20 -2.01 -0.02 -2.67 4.77 -1.26 -5.01 117.00 110.59 2kgl n LEU 43 Ca 0.08 -3.72 -0.13 0.00 -0.03 0.00 0.00 56.01 52.21 2kgl n LEU 43 Cb 0.32 0.79 -0.09 0.00 -2.33 0.00 0.00 43.42 42.11 2kgl n LEU 43 CO 0.39 2.03 0.63 1.55 -1.33 0.00 0.00 177.39 180.65 2kgl h PRO 44 N 3.90 0.09 -5.83 3.23 0.13 -1.96 -3.40 132.00 128.17 2kgl h PRO 44 Ca -0.09 -0.05 -0.14 0.00 -0.87 0.00 0.00 66.00 64.86 2kgl h PRO 44 Cb 1.00 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.13 2kgl h PRO 44 CO 0.35 0.55 -0.87 0.39 -0.23 0.00 0.00 178.00 178.20 2kgl n GLU 45 N -4.78 -2.15 -0.11 0.86 -0.58 -1.26 -4.03 120.64 108.59 2kgl n GLU 45 Ca -0.08 1.83 -0.05 0.00 -0.42 0.00 0.00 57.16 58.44 2kgl n GLU 45 Cb 0.28 -3.89 0.01 0.00 -0.57 0.00 0.00 31.44 27.27 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 -0.48 0.00 0.00 177.13 177.77 2kgl h HIS 46 N 2.34 -0.30 0.00 -0.32 2.07 -1.95 -3.25 115.15 113.74 2kgl h HIS 46 Ca -0.20 0.04 0.00 0.00 -2.85 0.00 0.00 60.37 57.36 2kgl h HIS 46 Cb 1.02 0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.19 2kgl h HIS 46 CO 0.04 -0.20 0.00 0.36 -3.07 0.00 0.00 177.93 175.06 2kgl n LYS 47 N -5.32 0.00 -3.30 5.12 2.85 -1.26 -4.63 118.16 111.62 2kgl n LYS 47 Ca 0.02 0.04 -0.28 0.00 -1.05 0.00 0.00 58.31 57.04 2kgl n LYS 47 Cb 0.24 -1.03 0.03 0.00 -0.65 0.00 0.00 35.03 33.62 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 2kgl n ARG 48 N -0.60 -2.06 -2.07 -1.58 3.00 -1.23 -4.80 116.66 107.33 2kgl n ARG 48 Ca 0.00 1.64 -0.42 0.00 -0.00 0.00 0.00 57.85 59.07 2kgl n ARG 48 Cb 0.00 -3.32 -0.03 0.00 0.00 0.00 0.00 32.46 29.11 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgl s PRO 49 N -2.61 3.19 0.26 -0.14 0.04 -1.26 -4.99 135.00 129.49 2kgl s PRO 49 Ca 0.32 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.56 2kgl s PRO 49 Cb -0.05 -4.22 -0.04 0.00 0.04 0.00 0.00 34.50 30.23 2kgl s PRO 49 CO 0.84 -2.04 0.09 -1.12 0.04 0.00 0.00 177.00 174.82 2kgl s SER 50 N 6.24 4.99 0.12 6.66 0.01 -1.26 -5.14 113.70 125.32 2kgl s SER 50 Ca 0.73 -0.47 -0.10 0.00 1.31 0.00 0.00 55.95 57.42 2kgl s SER 50 Cb -0.18 -1.09 0.00 0.00 0.21 0.00 0.00 66.02 64.96 2kgl s SER 50 CO 0.30 -0.03 0.25 0.00 0.41 0.00 0.00 173.24 174.16 2kgl s ALA 51 N -2.24 -0.23 0.11 1.44 0.00 -1.26 -4.75 121.76 114.82 2kgl s ALA 51 Ca 0.32 -0.64 -0.31 0.00 0.00 0.00 0.00 51.96 51.33 2kgl s ALA 51 Cb -0.07 0.64 -0.08 0.00 0.00 0.00 0.00 23.12 23.61 2kgl s ALA 51 CO 0.22 -0.57 1.36 -1.25 0.00 0.00 0.00 175.76 175.52 2kgl s PRO 52 N -3.89 4.34 -0.34 0.00 0.04 -1.26 -4.78 135.00 129.11 2kgl s PRO 52 Ca 0.09 2.04 0.15 0.00 0.04 0.00 0.00 61.00 63.31 2kgl s PRO 52 Cb 0.04 -3.26 0.43 0.00 0.04 0.00 0.00 34.50 31.75 2kgl s PRO 52 CO -0.07 -0.41 1.30 0.44 0.04 0.00 0.00 177.00 178.29 2kgl n ILE 53 N 3.91 0.42 -1.90 0.56 -5.35 -1.26 -4.77 119.36 110.96 2kgl n ILE 53 Ca 0.11 -1.89 -0.29 0.00 -0.27 0.00 0.00 62.75 60.41 2kgl n ILE 53 Cb 0.43 1.00 0.13 0.00 -1.74 0.00 0.00 39.64 39.46 2kgl n ILE 53 CO 0.00 0.00 0.00 1.51 -1.76 0.00 0.00 176.55 176.30 2kgl s ASP 54 N -2.02 3.88 -0.13 7.28 -4.77 -1.26 -4.94 116.67 114.71 2kgl s ASP 54 Ca 0.20 0.56 0.03 0.00 -3.30 0.00 0.00 52.55 50.04 2kgl s ASP 54 Cb 0.41 -0.86 -0.10 0.00 -1.09 0.00 0.00 42.92 41.28 2kgl s ASP 54 CO -0.07 -2.28 -0.09 0.49 0.70 0.00 0.00 175.17 173.92 2kgl n PHE 55 N -3.52 0.00 -2.70 2.11 3.72 -1.26 -5.04 117.46 110.77 2kgl n PHE 55 Ca 0.11 0.00 -0.04 0.00 -0.05 0.00 0.00 57.45 57.47 2kgl n PHE 55 Cb 0.60 -0.52 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kgl n SER 56 N -2.80 -6.91 -1.76 4.37 2.88 -1.26 -5.00 113.62 103.14 2kgl n SER 56 Ca -0.23 0.24 -0.01 0.00 -1.33 0.00 0.00 58.87 57.55 2kgl n SER 56 Cb 0.77 -4.64 -0.00 0.00 -0.75 0.00 0.00 64.21 59.59 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 57 N -0.87 0.06 0.00 -1.46 4.81 -1.26 -5.08 118.16 114.36 2kgl n LYS 57 Ca 0.06 -0.15 0.00 0.00 -0.87 0.00 0.00 58.31 57.35 2kgl n LYS 57 Cb 0.43 0.02 0.00 0.00 0.02 0.00 0.00 35.03 35.50 2kgl n LYS 57 CO 0.00 0.00 0.00 -0.11 1.17 0.00 0.00 177.40 178.46 2kgl n LEU 58 N -0.15 0.82 -4.71 3.14 7.94 -1.26 -5.02 117.00 117.75 2kgl n LEU 58 Ca -0.06 0.11 -0.23 0.00 -1.11 0.00 0.00 56.01 54.72 2kgl n LEU 58 Cb 0.54 -0.22 -0.06 0.00 0.53 0.00 0.00 43.42 44.20 2kgl n LEU 58 CO -0.03 -0.22 -0.27 1.51 -1.11 0.00 0.00 177.39 177.27 2kgl s ASP 59 N -2.12 4.90 0.00 1.96 1.47 -1.26 -5.01 116.67 116.61 2kgl s ASP 59 Ca 0.00 -0.49 0.14 0.00 1.18 0.00 0.00 52.55 53.39 2kgl s ASP 59 Cb 0.00 -1.05 0.65 0.00 -0.34 0.00 0.00 42.92 42.18 2kgl s ASP 59 CO 0.00 -0.00 1.44 -0.81 0.68 0.00 0.00 175.17 176.48 2kgl n PRO 60 N -0.92 0.07 -1.10 2.11 -0.04 -1.26 -4.79 135.00 129.07 2kgl n PRO 60 Ca -0.07 0.22 -0.27 0.00 -0.04 0.00 0.00 63.50 63.34 2kgl n PRO 60 Cb 0.58 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.76 2kgl n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 61 N -0.03 -2.50 2.67 0.55 0.00 -1.26 -5.06 105.19 99.56 2kgl n GLY 61 Ca 0.05 -1.53 -0.04 0.00 0.00 0.00 0.00 46.02 44.49 2kgl n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kgl n LYS 62 N -4.35 0.14 -2.18 1.61 0.00 -1.26 -5.07 118.16 107.05 2kgl n LYS 62 Ca 0.14 -0.78 -0.42 0.00 0.00 0.00 0.00 58.31 57.25 2kgl n LYS 62 Cb 0.53 -0.13 -0.03 0.00 0.00 0.00 0.00 35.03 35.40 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kgl s PRO 63 N 0.50 4.27 0.31 1.64 0.04 -1.26 -4.91 135.00 135.59 2kgl s PRO 63 Ca 0.25 2.02 0.16 0.00 0.04 0.00 0.00 61.00 63.48 2kgl s PRO 63 Cb 0.17 -3.56 0.11 0.00 0.04 0.00 0.00 34.50 31.27 2kgl s PRO 63 CO -0.10 -0.59 1.47 1.49 0.04 0.00 0.00 177.00 179.31 2kgl h GLU 64 N 7.83 0.00 -0.32 4.56 4.81 -2.03 -3.24 114.58 126.19 2kgl h GLU 64 Ca -0.39 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 58.94 2kgl h GLU 64 Cb 1.18 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.55 2kgl h GLU 64 CO 0.90 0.41 0.38 1.03 -0.73 0.00 0.00 179.01 181.01 2kgl h SER 65 N 0.00 0.00 -0.05 1.04 0.87 -1.95 0.15 113.55 113.61 2kgl h SER 65 Ca -0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2kgl h SER 65 Cb 1.32 0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 63.28 2kgl h SER 65 CO 0.05 0.00 0.11 0.40 -0.53 0.00 0.00 176.83 176.87 2kgl h ILE 66 N 0.00 0.21 0.00 2.23 1.08 -1.98 -0.42 117.51 118.64 2kgl h ILE 66 Ca 0.15 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.62 2kgl h ILE 66 Cb 0.92 0.90 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 2kgl h ILE 66 CO -0.00 0.00 0.01 0.17 -0.69 0.00 0.00 178.15 177.64 2kgl h LEU 67 N 0.00 0.00 -1.90 1.44 8.10 -0.97 -2.14 115.31 119.85 2kgl h LEU 67 Ca 0.02 0.00 0.26 0.00 0.11 0.00 0.00 57.88 58.27 2kgl h LEU 67 Cb 0.25 0.00 -0.04 0.00 -0.44 0.00 0.00 40.66 40.42 2kgl h LEU 67 CO -0.00 0.00 0.65 0.11 -4.11 0.00 0.00 178.44 175.09 2kgl h LYS 68 N 0.00 0.07 -0.05 0.17 1.79 -1.27 -1.63 116.57 115.64 2kgl h LYS 68 Ca 0.00 -0.00 0.04 0.00 -2.18 0.00 0.00 60.65 58.50 2kgl h LYS 68 Cb 0.02 -0.02 -0.06 0.00 -1.58 0.00 0.00 32.23 30.59 2kgl h LYS 68 CO 0.00 0.05 -0.39 0.52 -1.08 0.00 0.00 179.45 178.55 2kgl h MET 69 N 0.08 -0.49 -2.14 3.15 2.86 -1.63 -3.46 114.93 113.30 2kgl h MET 69 Ca 0.45 0.03 -0.40 0.00 -2.06 0.00 0.00 59.70 57.72 2kgl h MET 69 Cb 1.65 0.11 -0.07 0.00 0.06 0.00 0.00 31.60 33.35 2kgl h MET 69 CO -0.04 -0.33 -0.46 2.41 1.06 0.00 0.00 176.91 179.55 2kgl n THR 70 N -5.44 -0.59 -2.49 2.22 -1.04 -0.61 -4.15 114.28 102.18 2kgl n THR 70 Ca -0.05 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.92 2kgl n THR 70 Cb 0.36 -2.52 -0.03 0.00 -1.82 0.00 0.00 70.33 66.31 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -2.73 -4.75 -3.51 -2.82 4.81 -1.26 -3.99 118.16 103.90 2kgl n LYS 71 Ca -0.22 3.53 -0.15 0.00 -0.87 0.00 0.00 58.31 60.59 2kgl n LYS 71 Cb 0.67 -4.89 -0.05 0.00 0.02 0.00 0.00 35.03 30.78 2kgl n LYS 71 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2kgl s LYS 72 N -0.67 1.01 3.99 1.64 2.20 -1.26 -4.92 119.74 121.73 2kgl s LYS 72 Ca -0.19 0.09 0.00 0.00 -0.36 0.00 0.00 55.97 55.51 2kgl s LYS 72 Cb 0.01 0.48 0.00 0.00 -1.51 0.00 0.00 37.83 36.81 2kgl s LYS 72 CO 0.52 -0.35 0.00 0.41 -0.36 0.00 0.00 175.35 175.57 2kgl n GLY 73 N 0.61 0.61 3.27 5.54 0.00 -1.26 -4.66 105.19 109.30 2kgl n GLY 73 Ca -0.17 -0.86 -0.13 0.00 0.00 0.00 0.00 46.02 44.86 2kgl n GLY 73 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2kgl s LYS 74 N 0.00 0.59 1.07 1.61 2.20 -1.26 -2.08 119.74 121.87 2kgl s LYS 74 Ca 0.00 0.17 -0.18 0.00 -0.36 0.00 0.00 55.97 55.60 2kgl s LYS 74 Cb 0.00 0.27 0.05 0.00 -1.51 0.00 0.00 37.83 36.65 2kgl s LYS 74 CO 0.00 -0.13 -0.09 -2.37 -0.36 0.00 0.00 175.35 172.40 2kgl n THR 75 N 1.99 0.00 -5.27 3.43 5.66 -1.20 -4.72 114.28 114.17 2kgl n THR 75 Ca -0.18 -0.26 -0.31 0.00 -3.05 0.00 0.00 64.05 60.26 2kgl n THR 75 Cb 0.57 -0.53 -0.16 0.00 -1.55 0.00 0.00 70.33 68.66 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -3.05 0.00 0.00 175.07 171.80 2kgl s LEU 76 N 0.01 2.11 -0.26 1.09 1.98 -1.26 -4.58 118.68 117.76 2kgl s LEU 76 Ca 0.54 -0.46 -0.09 0.00 -2.89 0.00 0.00 54.13 51.23 2kgl s LEU 76 Cb -0.12 -1.36 0.12 0.00 0.66 0.00 0.00 46.19 45.48 2kgl s LEU 76 CO 0.67 0.31 0.57 0.00 -1.89 0.00 0.00 176.35 176.01 2kgl s MET 77 N -0.54 0.49 -0.16 1.98 0.23 -1.22 -3.20 119.30 116.88 2kgl s MET 77 Ca 0.08 1.31 -0.06 0.00 -1.03 0.00 0.00 55.69 55.99 2kgl s MET 77 Cb -0.11 0.69 0.08 0.00 -1.53 0.00 0.00 34.83 33.96 2kgl s MET 77 CO -0.00 -0.22 0.33 -1.64 -2.03 0.00 0.00 175.02 171.46 2kgl s MET 78 N 2.80 0.23 -0.15 3.16 -1.94 -1.06 -1.06 119.30 121.27 2kgl s MET 78 Ca -0.04 0.87 0.00 0.00 -1.71 0.00 0.00 55.69 54.81 2kgl s MET 78 Cb -0.12 0.11 0.03 0.00 2.01 0.00 0.00 34.83 36.86 2kgl s MET 78 CO -0.17 -0.28 -0.10 -0.06 -0.01 0.00 0.00 175.02 174.41 2kgl s PHE 79 N 2.51 1.91 -0.08 -0.03 0.08 -0.84 -2.90 117.98 118.63 2kgl s PHE 79 Ca 0.00 -1.12 -0.13 0.00 0.12 0.00 0.00 56.93 55.80 2kgl s PHE 79 Cb -0.12 -1.44 0.03 0.00 -0.57 0.00 0.00 43.02 40.92 2kgl s PHE 79 CO -0.10 -0.63 0.32 0.54 -0.10 0.00 0.00 175.22 175.25 2kgl s VAL 80 N 1.57 0.02 -0.52 -0.44 0.11 -1.18 -1.31 120.40 118.65 2kgl s VAL 80 Ca 0.03 -0.19 0.05 0.00 -2.93 0.00 0.00 61.98 58.94 2kgl s VAL 80 Cb -0.14 -0.52 0.18 0.00 -1.53 0.00 0.00 36.38 34.37 2kgl s VAL 80 CO -0.09 -0.10 0.42 1.07 -3.33 0.00 0.00 175.10 173.07 2kgl n THR 81 N 2.27 -0.06 -3.54 5.04 5.66 0.69 -2.46 114.28 121.90 2kgl n THR 81 Ca -0.16 -4.04 -0.10 0.00 -3.05 0.00 0.00 64.05 56.71 2kgl n THR 81 Cb 0.57 -1.87 -0.03 0.00 -1.55 0.00 0.00 70.33 67.44 2kgl n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kgl s VAL 82 N -0.66 0.00 -0.00 1.08 0.11 0.88 -3.04 120.40 118.76 2kgl s VAL 82 Ca 0.31 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.06 2kgl s VAL 82 Cb 0.03 -1.00 -0.06 0.00 -1.53 0.00 0.00 36.38 33.81 2kgl s VAL 82 CO -0.18 0.00 1.60 -0.94 -3.33 0.00 0.00 175.10 172.26 2kgl s SER 83 N -1.88 6.68 0.54 3.54 1.04 -1.26 -3.17 113.70 119.20 2kgl s SER 83 Ca 0.02 2.29 0.00 0.00 0.48 0.00 0.00 55.95 58.74 2kgl s SER 83 Cb -0.01 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.56 2kgl s SER 83 CO -0.04 -0.87 0.00 0.61 0.98 0.00 0.00 173.24 173.92 2kgl n GLY 84 N 3.99 -3.30 0.00 7.32 0.00 -1.26 -4.73 105.19 107.20 2kgl n GLY 84 Ca 0.16 -1.10 0.00 0.00 0.00 0.00 0.00 46.02 45.08 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -4.02 0.00 -4.56 1.61 4.05 -1.26 -4.70 115.26 106.38 2kgl n ASN 85 Ca -0.08 0.00 -0.28 0.00 0.45 0.00 0.00 54.58 54.67 2kgl n ASN 85 Cb 0.59 0.00 -0.05 0.00 1.23 0.00 0.00 39.78 41.55 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kgl s PRO 86 N -1.19 2.56 0.00 1.20 0.04 -1.26 -4.42 135.00 131.93 2kgl s PRO 86 Ca 0.00 -0.18 0.01 0.00 0.04 0.00 0.00 61.00 60.87 2kgl s PRO 86 Cb 0.00 -4.98 0.01 0.00 0.04 0.00 0.00 34.50 29.57 2kgl s PRO 86 CO 0.00 -3.30 0.65 2.41 0.04 0.00 0.00 177.00 176.80 2kgl n THR 87 N 7.80 0.00 -0.23 1.26 -1.04 -1.26 -4.96 114.28 115.85 2kgl n THR 87 Ca 0.38 -0.02 -0.05 0.00 -2.04 0.00 0.00 64.05 62.31 2kgl n THR 87 Cb 0.48 0.16 0.05 0.00 -1.82 0.00 0.00 70.33 69.19 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kgl h GLU 88 N 0.02 0.86 0.14 -2.82 -0.00 -1.93 0.25 114.58 111.10 2kgl h GLU 88 Ca -0.11 -0.05 -0.01 0.00 -0.00 0.00 0.00 59.36 59.19 2kgl h GLU 88 Cb 1.13 -0.19 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 2kgl h GLU 88 CO -0.05 0.57 -0.07 -0.22 -0.00 0.00 0.00 179.01 179.24 2kgl h LYS 89 N 0.88 -0.19 -0.42 1.06 3.64 -1.98 -3.01 116.57 116.56 2kgl h LYS 89 Ca 0.24 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.63 2kgl h LYS 89 Cb -0.09 0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 31.75 2kgl h LYS 89 CO -0.06 0.09 0.21 0.93 -2.27 0.00 0.00 179.45 178.36 2kgl h GLU 90 N -0.46 0.57 -0.04 1.90 3.07 -1.91 -2.98 114.58 114.74 2kgl h GLU 90 Ca -0.02 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.81 2kgl h GLU 90 Cb 0.37 -0.12 -0.06 0.00 -0.84 0.00 0.00 28.75 28.10 2kgl h GLU 90 CO 0.03 0.44 -0.45 1.15 -1.40 0.00 0.00 179.01 178.77 2kgl h THR 91 N 0.58 0.11 -0.36 1.13 2.02 -0.38 0.10 112.91 116.11 2kgl h THR 91 Ca 0.15 0.00 0.10 0.00 0.77 0.00 0.00 66.41 67.43 2kgl h THR 91 Cb 0.04 0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.54 2kgl h THR 91 CO -0.02 0.00 0.28 -0.33 0.37 0.00 0.00 175.52 175.82 2kgl h GLU 92 N -0.58 0.00 0.00 6.66 5.08 -1.48 0.29 114.58 124.54 2kgl h GLU 92 Ca 0.05 0.00 -0.04 0.00 -1.00 0.00 0.00 59.36 58.37 2kgl h GLU 92 Cb 0.67 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.91 2kgl h GLU 92 CO -0.35 0.00 -0.17 1.49 -1.00 0.00 0.00 179.01 178.97 2kgl h GLU 93 N 0.00 0.00 -1.04 2.33 4.57 -0.84 -3.25 114.58 116.35 2kgl h GLU 93 Ca 0.17 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.61 2kgl h GLU 93 Cb 0.73 0.00 -0.09 0.00 -0.16 0.00 0.00 28.75 29.22 2kgl h GLU 93 CO -0.00 0.17 0.66 0.82 -1.18 0.00 0.00 179.01 179.49 2kgl h ILE 94 N 0.00 0.53 -0.44 2.32 1.08 0.15 0.34 117.51 121.49 2kgl h ILE 94 Ca -0.00 -0.14 -0.10 0.00 -0.39 0.00 0.00 64.86 64.23 2kgl h ILE 94 Cb 0.98 0.09 -0.02 0.00 -3.07 0.00 0.00 36.82 34.80 2kgl h ILE 94 CO 0.02 0.07 -0.11 0.00 -0.69 0.00 0.00 178.15 177.44 2kgl h THR 95 N 0.41 1.26 -0.12 -0.27 1.03 -1.69 0.21 112.91 113.73 2kgl h THR 95 Ca 0.59 -1.18 -0.03 0.00 -0.01 0.00 0.00 66.41 65.79 2kgl h THR 95 Cb 1.48 1.04 -0.00 0.00 -1.07 0.00 0.00 68.15 69.60 2kgl h THR 95 CO -0.30 0.40 -0.03 -1.28 -0.01 0.00 0.00 175.52 174.30 2kgl h SER 96 N 0.72 0.23 0.26 0.00 0.87 -0.55 -3.13 113.55 111.96 2kgl h SER 96 Ca 0.12 -0.36 -0.14 0.00 -1.23 0.00 0.00 61.79 60.18 2kgl h SER 96 Cb 0.60 -0.06 -0.01 0.00 -0.44 0.00 0.00 62.40 62.49 2kgl h SER 96 CO 0.04 0.54 -0.53 -0.07 -0.53 0.00 0.00 176.83 176.28 2kgl h LEU 97 N -0.08 0.33 -2.00 2.23 3.38 -1.27 -2.95 115.31 114.96 2kgl h LEU 97 Ca 0.03 -0.17 0.16 0.00 0.09 0.00 0.00 57.88 57.99 2kgl h LEU 97 Cb 0.44 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.07 2kgl h LEU 97 CO 0.01 0.80 0.46 -0.25 0.09 0.00 0.00 178.44 179.56 2kgl h TRP 98 N 0.24 0.00 -0.16 1.13 7.01 -0.52 -2.23 115.95 121.41 2kgl h TRP 98 Ca 0.01 0.00 0.04 0.00 2.11 0.00 0.00 58.89 61.05 2kgl h TRP 98 Cb 1.01 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.01 2kgl h TRP 98 CO 0.02 0.00 -0.45 1.96 -2.79 0.00 0.00 178.44 177.18 2kgl h GLN 99 N 0.00 -0.48 -0.29 2.65 4.20 -1.51 0.32 115.11 119.99 2kgl h GLN 99 Ca 0.26 0.03 -0.05 0.00 0.06 0.00 0.00 58.65 58.95 2kgl h GLN 99 Cb 1.18 0.11 -0.01 0.00 0.30 0.00 0.00 27.48 29.06 2kgl h GLN 99 CO -0.00 -0.32 -0.01 0.78 -0.67 0.00 0.00 178.83 178.60 2kgl h GLY 100 N -0.50 0.57 0.51 3.46 0.00 -1.62 -3.05 103.07 102.44 2kgl h GLY 100 Ca 0.07 -0.43 0.11 0.00 0.00 0.00 0.00 47.33 47.08 2kgl h GLY 100 CO -0.43 0.39 0.64 1.76 0.00 0.00 0.00 176.54 178.90 2kgl h SER 101 N 0.31 0.94 -1.00 0.19 0.02 -1.31 -0.90 113.55 111.80 2kgl h SER 101 Ca 0.08 0.04 0.15 0.00 -0.84 0.00 0.00 61.79 61.23 2kgl h SER 101 Cb 0.46 -0.15 -0.09 0.00 0.14 0.00 0.00 62.40 62.76 2kgl h SER 101 CO 0.02 0.52 0.62 0.25 -1.14 0.00 0.00 176.83 177.10 2kgl h LEU 102 N 1.02 0.85 -1.98 5.07 5.85 -0.26 0.13 115.31 125.99 2kgl h LEU 102 Ca 0.49 0.07 0.23 0.00 0.84 0.00 0.00 57.88 59.50 2kgl h LEU 102 Cb 0.45 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.35 2kgl h LEU 102 CO -0.25 0.39 0.59 0.15 -0.34 0.00 0.00 178.44 178.98 2kgl h PHE 103 N 0.88 0.00 -0.39 1.25 3.04 -1.20 0.17 116.94 120.68 2kgl h PHE 103 Ca 0.53 0.00 0.11 0.00 3.98 0.00 0.00 57.97 62.59 2kgl h PHE 103 Cb 0.68 0.00 -0.02 0.00 2.56 0.00 0.00 35.95 39.18 2kgl h PHE 103 CO -0.00 0.00 0.47 -0.97 -2.02 0.00 0.00 178.31 175.78 2kgl h ASN 104 N 0.00 0.00 -0.34 0.41 -0.73 0.36 -3.45 115.58 111.82 2kgl h ASN 104 Ca 0.37 0.00 -0.15 0.00 1.87 0.00 0.00 56.30 58.39 2kgl h ASN 104 Cb 1.55 0.00 -0.06 0.00 0.27 0.00 0.00 38.32 40.08 2kgl h ASN 104 CO -0.00 0.00 -0.13 0.00 -0.37 0.00 0.00 177.43 176.92 2kgl n ALA 105 N -2.28 -0.11 -2.14 1.57 0.00 0.58 -4.12 120.51 114.00 2kgl n ALA 105 Ca 0.07 0.12 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 2kgl n ALA 105 Cb 0.63 -1.38 -0.02 0.00 0.00 0.00 0.00 19.45 18.69 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.65 -0.01 -4.46 0.00 2.85 -1.26 -4.20 115.26 107.53 2kgl n ASN 106 Ca -0.07 -1.79 -0.36 0.00 -0.11 0.00 0.00 54.58 52.24 2kgl n ASN 106 Cb 0.44 -0.04 0.06 0.00 1.24 0.00 0.00 39.78 41.48 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgl n TYR 107 N 0.14 -0.78 -3.65 1.20 4.11 -1.25 -2.65 117.16 114.27 2kgl n TYR 107 Ca -0.07 0.36 -0.10 0.00 -0.00 0.00 0.00 57.90 58.09 2kgl n TYR 107 Cb 0.79 -1.92 -0.11 0.00 -0.00 0.00 0.00 39.34 38.10 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2kgl s ASP 108 N -1.42 -0.01 -0.11 9.48 2.15 -1.18 -4.85 116.67 120.73 2kgl s ASP 108 Ca 0.66 0.83 -0.05 0.00 0.43 0.00 0.00 52.55 54.42 2kgl s ASP 108 Cb -0.36 1.10 0.05 0.00 -0.30 0.00 0.00 42.92 43.40 2kgl s ASP 108 CO 0.57 -0.24 0.25 -0.69 -0.17 0.00 0.00 175.17 174.90 2kgl s VAL 109 N 2.54 -0.07 0.03 1.11 1.01 -1.26 -2.25 120.40 121.51 2kgl s VAL 109 Ca -0.00 0.16 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2kgl s VAL 109 Cb -0.12 -0.39 -0.02 0.00 0.00 0.00 0.00 36.38 35.85 2kgl s VAL 109 CO -0.11 0.06 -0.14 0.00 0.00 0.00 0.00 175.10 174.91 2kgl s GLN 110 N 1.34 0.97 -0.09 2.72 -2.07 -0.88 -4.67 119.66 116.97 2kgl s GLN 110 Ca -0.09 -0.71 -0.00 0.00 -1.82 0.00 0.00 55.36 52.75 2kgl s GLN 110 Cb -0.10 -0.97 0.02 0.00 -1.09 0.00 0.00 33.01 30.87 2kgl s GLN 110 CO -0.09 0.24 -0.07 -0.98 -1.32 0.00 0.00 175.29 173.08 2kgl s ARG 111 N -0.98 1.36 -0.02 9.60 1.70 -1.26 -3.00 118.95 126.34 2kgl s ARG 111 Ca 0.02 -0.21 0.04 0.00 -0.47 0.00 0.00 55.73 55.11 2kgl s ARG 111 Cb -0.07 -1.41 -0.01 0.00 -0.57 0.00 0.00 34.95 32.89 2kgl s ARG 111 CO 0.01 -0.22 -0.13 0.12 -1.08 0.00 0.00 175.30 174.00 2kgl s PHE 112 N 1.54 1.20 -0.11 5.89 5.36 -1.17 -4.75 117.98 125.94 2kgl s PHE 112 Ca 0.01 -0.26 -0.00 0.00 -0.96 0.00 0.00 56.93 55.72 2kgl s PHE 112 Cb -0.13 -0.79 0.02 0.00 -0.34 0.00 0.00 43.02 41.78 2kgl s PHE 112 CO -0.05 -0.06 -0.07 0.42 -1.46 0.00 0.00 175.22 174.00 2kgl s ILE 113 N -0.16 1.00 0.02 3.12 1.01 -1.26 -3.13 121.20 121.80 2kgl s ILE 113 Ca 0.02 -0.27 0.01 0.00 0.00 0.00 0.00 60.65 60.41 2kgl s ILE 113 Cb -0.07 -1.02 -0.01 0.00 0.01 0.00 0.00 42.46 41.37 2kgl s ILE 113 CO 0.00 0.36 -0.05 -0.69 0.00 0.00 0.00 174.94 174.57 2kgl s VAL 114 N 1.72 0.31 0.56 2.92 1.01 -0.72 -5.02 120.40 121.17 2kgl s VAL 114 Ca 0.05 -0.60 0.31 0.00 0.00 0.00 0.00 61.98 61.74 2kgl s VAL 114 Cb -0.13 -0.35 0.45 0.00 0.00 0.00 0.00 36.38 36.36 2kgl s VAL 114 CO -0.08 -0.19 1.87 1.23 0.00 0.00 0.00 175.10 177.93 2kgl h GLY 115 N 5.27 0.00 0.98 4.51 0.00 -2.05 0.58 103.07 112.36 2kgl h GLY 115 Ca -0.31 0.00 -0.17 0.00 0.00 0.00 0.00 47.33 46.85 2kgl h GLY 115 CO 0.45 0.00 -0.59 1.76 0.00 0.00 0.00 176.54 178.16 2kgl h SER 116 N 0.00 0.73 -5.96 0.19 0.02 -2.04 -3.49 113.55 103.00 2kgl h SER 116 Ca 0.37 -0.64 0.40 0.00 -0.84 0.00 0.00 61.79 61.08 2kgl h SER 116 Cb 1.59 -0.22 -0.09 0.00 0.14 0.00 0.00 62.40 63.83 2kgl h SER 116 CO -0.00 1.25 0.99 1.51 -1.14 0.00 0.00 176.83 179.44 2kgl s ASP 117 N -6.82 -0.00 -0.02 3.07 1.47 0.19 -4.73 116.67 109.84 2kgl s ASP 117 Ca -0.12 -0.04 0.04 0.00 1.18 0.00 0.00 52.55 53.60 2kgl s ASP 117 Cb 0.07 0.03 -0.00 0.00 -0.34 0.00 0.00 42.92 42.68 2kgl s ASP 117 CO 0.85 -0.07 -0.13 -0.60 0.68 0.00 0.00 175.17 175.91 2kgl s ARG 118 N -2.02 1.22 -0.09 2.11 3.52 -1.19 -1.76 118.95 120.74 2kgl s ARG 118 Ca 0.28 -0.45 0.01 0.00 -0.13 0.00 0.00 55.73 55.44 2kgl s ARG 118 Cb 0.02 -1.12 0.02 0.00 -1.56 0.00 0.00 34.95 32.30 2kgl s ARG 118 CO -0.03 0.21 -0.09 0.00 -0.81 0.00 0.00 175.30 174.58 2kgl s ALA 119 N -0.04 1.23 -0.08 6.12 0.00 -1.18 -0.08 121.76 127.73 2kgl s ALA 119 Ca -0.00 -0.45 0.01 0.00 0.00 0.00 0.00 51.96 51.52 2kgl s ALA 119 Cb -0.08 -0.75 0.02 0.00 0.00 0.00 0.00 23.12 22.31 2kgl s ALA 119 CO 0.01 -0.20 -0.10 -1.50 0.00 0.00 0.00 175.76 173.97 2kgl s ILE 120 N 1.28 1.01 -0.11 0.00 1.10 -1.03 -3.02 121.20 120.43 2kgl s ILE 120 Ca -0.03 -0.37 -0.00 0.00 -0.51 0.00 0.00 60.65 59.74 2kgl s ILE 120 Cb -0.14 -0.97 0.03 0.00 0.15 0.00 0.00 42.46 41.53 2kgl s ILE 120 CO -0.03 0.34 -0.07 0.12 -2.11 0.00 0.00 174.94 173.19 2kgl s PHE 121 N 1.02 1.46 -0.05 3.50 2.19 -1.16 -3.13 117.98 121.80 2kgl s PHE 121 Ca -0.08 -0.73 -0.02 0.00 0.33 0.00 0.00 56.93 56.43 2kgl s PHE 121 Cb -0.15 -1.22 0.03 0.00 -1.31 0.00 0.00 43.02 40.38 2kgl s PHE 121 CO -0.00 -0.51 0.04 0.00 1.83 0.00 0.00 175.22 176.58 2kgl s MET 122 N 1.72 0.13 0.04 10.12 0.23 -1.14 -2.08 119.30 128.32 2kgl s MET 122 Ca 0.05 0.29 0.02 0.00 -1.03 0.00 0.00 55.69 55.02 2kgl s MET 122 Cb -0.13 -0.67 -0.02 0.00 -1.53 0.00 0.00 34.83 32.48 2kgl s MET 122 CO -0.08 -0.33 -0.08 -1.17 -2.03 0.00 0.00 175.02 171.34 2kgl s LEU 123 N 2.11 2.26 0.39 0.18 0.20 -0.96 -2.57 118.68 120.30 2kgl s LEU 123 Ca 0.05 -0.56 0.09 0.00 0.69 0.00 0.00 54.13 54.40 2kgl s LEU 123 Cb -0.12 -0.15 0.80 0.00 -0.43 0.00 0.00 46.19 46.29 2kgl s LEU 123 CO -0.04 -0.21 1.95 0.08 -0.29 0.00 0.00 176.35 177.84 2kgl h ARG 124 N 4.48 0.33 0.00 1.98 0.11 -1.87 -3.13 114.38 116.28 2kgl h ARG 124 Ca -0.36 -0.06 -0.22 0.00 0.10 0.00 0.00 59.98 59.45 2kgl h ARG 124 Cb 1.20 -0.05 0.09 0.00 1.11 0.00 0.00 29.97 32.32 2kgl h ARG 124 CO 0.41 0.38 0.18 -0.25 0.10 0.00 0.00 179.97 180.78 2kgl n ASP 125 N -4.33 -0.38 0.00 0.08 9.92 -1.26 -3.92 116.55 116.65 2kgl n ASP 125 Ca 0.00 -1.14 0.00 0.00 -0.53 0.00 0.00 54.79 53.12 2kgl n ASP 125 Cb 0.21 -0.52 0.00 0.00 -0.64 0.00 0.00 41.12 40.17 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kgl n GLY 126 N 0.04 0.36 0.25 0.44 0.00 -1.08 -3.37 105.19 101.83 2kgl n GLY 126 Ca 0.08 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 2kgl n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 127 N 0.00 0.17 -0.79 1.61 0.02 -1.97 -0.52 113.55 112.07 2kgl h SER 127 Ca 0.00 0.10 0.12 0.00 -0.84 0.00 0.00 61.79 61.17 2kgl h SER 127 Cb 0.00 0.10 -0.08 0.00 0.14 0.00 0.00 62.40 62.55 2kgl h SER 127 CO 0.00 0.09 0.39 0.22 -1.14 0.00 0.00 176.83 176.38 2kgl h TYR 128 N 0.38 0.69 0.00 3.45 5.03 -1.97 0.82 116.97 125.36 2kgl h TYR 128 Ca 0.35 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.59 2kgl h TYR 128 Cb 0.49 -0.19 -0.01 0.00 1.55 0.00 0.00 36.73 38.57 2kgl h TYR 128 CO -0.19 0.19 -0.49 0.00 -1.32 0.00 0.00 178.16 176.35 2kgl h ALA 129 N 1.51 1.18 -0.30 1.82 0.00 -1.40 -2.63 119.26 119.43 2kgl h ALA 129 Ca 0.41 -0.45 -0.09 0.00 0.00 0.00 0.00 54.91 54.78 2kgl h ALA 129 Cb 0.53 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 2kgl h ALA 129 CO -0.33 0.61 -0.18 -1.49 0.00 0.00 0.00 179.25 177.87 2kgl h TRP 130 N 0.00 0.76 0.52 0.00 -0.00 0.25 -0.77 115.95 116.71 2kgl h TRP 130 Ca -0.00 -0.20 -0.03 0.00 -0.00 0.00 0.00 58.89 58.66 2kgl h TRP 130 Cb 0.87 -0.17 0.01 0.00 -0.00 0.00 0.00 29.16 29.87 2kgl h TRP 130 CO 0.00 0.89 -0.25 1.49 -0.00 0.00 0.00 178.44 180.57 2kgl h GLU 131 N 0.41 -0.67 -0.60 0.49 4.81 -1.10 -3.03 114.58 114.89 2kgl h GLU 131 Ca 0.06 0.05 0.05 0.00 -0.13 0.00 0.00 59.36 59.39 2kgl h GLU 131 Cb 0.71 0.15 -0.03 0.00 0.63 0.00 0.00 28.75 30.21 2kgl h GLU 131 CO 0.05 -0.37 0.40 0.82 -0.73 0.00 0.00 179.01 179.18 2kgl h ILE 132 N -0.93 1.03 0.03 2.32 1.08 -1.55 -2.75 117.51 116.74 2kgl h ILE 132 Ca -0.07 -0.22 0.03 0.00 -0.39 0.00 0.00 64.86 64.21 2kgl h ILE 132 Cb 0.61 0.34 -0.05 0.00 -3.07 0.00 0.00 36.82 34.65 2kgl h ILE 132 CO 0.12 0.12 -0.41 0.50 -0.69 0.00 0.00 178.15 177.78 2kgl h LYS 133 N 0.63 -0.57 -0.96 2.37 1.63 -1.03 0.93 116.57 119.57 2kgl h LYS 133 Ca 0.25 0.04 0.19 0.00 -0.85 0.00 0.00 60.65 60.28 2kgl h LYS 133 Cb 0.20 0.13 -0.09 0.00 -0.60 0.00 0.00 32.23 31.88 2kgl h LYS 133 CO -0.07 -0.38 0.61 -0.44 -3.45 0.00 0.00 179.45 175.72 2kgl h ASP 134 N -0.59 0.63 0.34 4.20 3.32 -1.37 0.23 116.42 123.18 2kgl h ASP 134 Ca 0.04 0.07 -0.12 0.00 0.02 0.00 0.00 57.03 57.04 2kgl h ASP 134 Cb 0.66 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.14 2kgl h ASP 134 CO -0.29 0.25 -0.49 -0.26 -1.72 0.00 0.00 179.24 176.72 2kgl h PHE 135 N 0.62 0.21 0.75 4.55 -1.00 -1.12 -2.93 116.94 118.03 2kgl h PHE 135 Ca 0.52 -0.07 -0.04 0.00 2.81 0.00 0.00 57.97 61.20 2kgl h PHE 135 Cb 0.99 -0.04 0.01 0.00 3.61 0.00 0.00 35.95 40.51 2kgl h PHE 135 CO -0.00 0.63 -0.36 1.25 -1.61 0.00 0.00 178.31 178.22 2kgl h LEU 136 N 0.14 -0.85 -2.00 1.54 5.85 0.18 -2.77 115.31 117.40 2kgl h LEU 136 Ca 0.01 0.03 0.20 0.00 0.84 0.00 0.00 57.88 58.95 2kgl h LEU 136 Cb 0.92 0.22 -0.03 0.00 0.37 0.00 0.00 40.66 42.14 2kgl h LEU 136 CO 0.07 -0.58 0.49 1.62 -0.34 0.00 0.00 178.44 179.70 2kgl h VAL 137 N -1.07 0.66 0.00 1.05 3.04 -1.54 0.24 116.25 118.63 2kgl h VAL 137 Ca -0.10 -0.00 -0.03 0.00 -1.01 0.00 0.00 66.70 65.56 2kgl h VAL 137 Cb 0.77 0.66 -0.00 0.00 -2.01 0.00 0.00 31.29 30.71 2kgl h VAL 137 CO 0.17 0.00 -0.15 -1.28 -1.01 0.00 0.00 177.57 175.30 2kgl h SER 138 N 0.00 0.00 0.49 3.17 0.87 -1.30 -3.03 113.55 113.76 2kgl h SER 138 Ca 0.32 0.00 -0.02 0.00 -1.23 0.00 0.00 61.79 60.86 2kgl h SER 138 Cb 1.29 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.25 2kgl h SER 138 CO -0.00 0.15 -0.24 -0.61 -0.53 0.00 0.00 176.83 175.60 2kgl h GLN 139 N 0.00 -0.64 -1.13 2.24 5.75 -0.33 -3.47 115.11 117.53 2kgl h GLN 139 Ca -0.00 0.04 -0.35 0.00 -0.15 0.00 0.00 58.65 58.19 2kgl h GLN 139 Cb 0.27 0.14 -0.12 0.00 1.07 0.00 0.00 27.48 28.84 2kgl h GLN 139 CO 0.02 -0.33 -0.34 -3.47 -2.65 0.00 0.00 178.83 172.06 2kgl n ASP 140 N -5.26 -5.08 -2.66 -0.69 -0.08 -1.15 -4.78 116.55 96.85 2kgl n ASP 140 Ca -0.11 0.34 -0.03 0.00 -1.51 0.00 0.00 54.79 53.48 2kgl n ASP 140 Cb 0.31 -4.11 0.08 0.00 2.34 0.00 0.00 41.12 39.74 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 2kgl n ARG 141 N -2.53 0.19 -3.83 -0.67 0.63 -1.17 -4.92 116.66 104.36 2kgl n ARG 141 Ca -0.18 -0.75 -0.12 0.00 -0.92 0.00 0.00 57.85 55.88 2kgl n ARG 141 Cb 0.58 -0.13 -0.11 0.00 0.45 0.00 0.00 32.46 33.25 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl s ALA 143 N -0.69 0.81 -0.16 0.00 0.00 -1.26 -0.22 121.76 120.24 2kgl s ALA 143 Ca -0.08 -0.19 -0.13 0.00 0.00 0.00 0.00 51.96 51.56 2kgl s ALA 143 Cb -0.05 -0.70 0.04 0.00 0.00 0.00 0.00 23.12 22.42 2kgl s ALA 143 CO 0.01 -0.35 0.41 -1.21 0.00 0.00 0.00 175.76 174.63 2kgl s GLU 144 N 1.67 0.46 -0.15 0.00 2.02 -0.43 -3.48 118.70 118.80 2kgl s GLU 144 Ca 0.01 0.62 -0.10 0.00 0.02 0.00 0.00 54.97 55.52 2kgl s GLU 144 Cb -0.13 0.18 0.05 0.00 0.10 0.00 0.00 34.13 34.33 2kgl s GLU 144 CO -0.04 -0.08 0.37 0.14 0.02 0.00 0.00 175.26 175.67 2kgl s VAL 145 N 0.46 -0.02 -0.13 2.63 -7.23 -1.26 -1.98 120.40 112.87 2kgl s VAL 145 Ca -0.02 0.07 -0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2kgl s VAL 145 Cb -0.04 -0.54 0.03 0.00 0.56 0.00 0.00 36.38 36.39 2kgl s VAL 145 CO -0.02 0.03 -0.07 -0.89 -0.31 0.00 0.00 175.10 173.83 2kgl s THR 146 N 0.95 1.05 -0.05 5.32 2.01 -0.23 -4.28 115.64 120.41 2kgl s THR 146 Ca -0.06 -0.37 -0.02 0.00 0.31 0.00 0.00 61.69 61.55 2kgl s THR 146 Cb -0.07 -1.11 0.03 0.00 0.01 0.00 0.00 72.50 71.37 2kgl s THR 146 CO -0.07 0.31 0.06 -0.22 -0.69 0.00 0.00 174.62 174.01 2kgl s LEU 147 N 1.69 0.20 0.29 4.42 1.98 -1.26 -3.39 118.68 122.62 2kgl s LEU 147 Ca 0.04 0.00 0.03 0.00 -2.89 0.00 0.00 54.13 51.31 2kgl s LEU 147 Cb -0.13 -0.18 -0.03 0.00 0.66 0.00 0.00 46.19 46.51 2kgl s LEU 147 CO -0.08 -0.25 0.27 -1.61 -1.89 0.00 0.00 176.35 172.78 2kgl s GLU 148 N 2.15 1.62 0.00 1.98 8.01 -1.26 -4.79 118.70 126.41 2kgl s GLU 148 Ca 0.05 -1.86 0.00 0.00 0.01 0.00 0.00 54.97 53.17 2kgl s GLU 148 Cb -0.12 0.33 0.00 0.00 -4.31 0.00 0.00 34.13 30.03 2kgl s GLU 148 CO -0.04 -0.60 0.50 0.41 0.01 0.00 0.00 175.26 175.55 2kgl n GLY 149 N -0.51 0.24 0.00 -1.39 0.00 -1.26 -4.26 105.19 98.01 2kgl n GLY 149 Ca 0.05 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.07 2kgl n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kgl n GLN 150 N 0.00 0.00 -2.67 1.61 1.13 -1.26 -4.63 117.38 111.56 2kgl n GLN 150 Ca -0.12 0.21 -0.04 0.00 -1.94 0.00 0.00 57.00 55.11 2kgl n GLN 150 Cb 0.45 -1.18 0.06 0.00 0.11 0.00 0.00 30.24 29.68 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 -1.44 0.00 0.00 177.06 175.50 2kgl n MET 151 N -1.13 0.12 -2.66 -1.09 0.00 -1.26 -4.84 117.12 106.27 2kgl n MET 151 Ca 0.00 -0.74 -0.03 0.00 0.00 0.00 0.00 57.70 56.93 2kgl n MET 151 Cb 0.00 -0.07 0.04 0.00 0.00 0.00 0.00 33.22 33.19 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 0.00 0.00 0.00 175.97 176.68 2kgl s TYR 152 N 0.51 -0.13 0.12 1.12 2.02 -0.88 -5.04 117.35 115.07 2kgl s TYR 152 Ca 0.25 -0.04 -0.02 0.00 -0.37 0.00 0.00 57.07 56.89 2kgl s TYR 152 Cb 0.17 0.03 0.03 0.00 -0.40 0.00 0.00 41.96 41.79 2kgl s TYR 152 CO -0.10 -0.10 0.10 -0.35 -1.57 0.00 0.00 175.55 173.54 2kgl n PRO 153 N 2.61 -1.23 -1.55 -1.71 -0.04 -1.19 -3.21 135.00 128.68 2kgl n PRO 153 Ca 0.10 -0.17 0.02 0.00 -0.04 0.00 0.00 63.50 63.41 2kgl n PRO 153 Cb 0.66 -0.15 0.07 0.00 -0.04 0.00 0.00 33.50 34.03 2kgl n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 154 N 1.76 2.51 0.28 0.55 0.00 -1.26 -4.10 105.19 104.92 2kgl n GLY 154 Ca 0.01 -1.13 0.07 0.00 0.00 0.00 0.00 46.02 44.98 2kgl n GLY 154 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kgl h LYS 155 N 1.36 0.31 0.00 1.61 6.56 -1.88 -3.40 116.57 121.13 2kgl h LYS 155 Ca -0.12 -0.02 0.00 0.00 -1.06 0.00 0.00 60.65 59.46 2kgl h LYS 155 Cb 1.56 -0.07 0.00 0.00 -0.57 0.00 0.00 32.23 33.15 2kgl h LYS 155 CO 0.14 0.21 0.00 0.41 -2.06 0.00 0.00 179.45 178.15 2kgl n GLY 156 N -1.35 0.85 0.00 3.86 0.00 -1.26 -1.52 105.19 105.77 2kgl n GLY 156 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N 0.00 -1.41 0.00 -0.02 0.00 -1.26 -4.50 105.19 97.99 2kgl n GLY 157 Ca 0.00 0.49 0.00 0.00 0.00 0.00 0.00 46.02 46.51 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 1.12 0.00 -0.02 0.00 -1.26 -5.01 105.19 100.02 2kgl n GLY 158 Ca 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 2kgl n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 159 N 0.00 0.00 -3.90 1.61 7.64 -1.26 -4.95 113.62 112.76 2kgl n SER 159 Ca 0.00 0.22 -0.24 0.00 1.01 0.00 0.00 58.87 59.85 2kgl n SER 159 Cb 0.00 -0.21 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 160 N -1.13 -3.63 -0.03 1.43 4.81 -1.26 -4.89 118.16 113.46 2kgl n LYS 160 Ca 0.00 0.45 -0.19 0.00 -0.87 0.00 0.00 58.31 57.70 2kgl n LYS 160 Cb 0.00 -4.67 -0.14 0.00 0.02 0.00 0.00 35.03 30.25 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 2kgl n GLU 161 N -4.37 0.72 -2.57 1.64 -0.58 -1.26 -5.00 120.64 109.22 2kgl n GLU 161 Ca -0.31 0.23 -0.05 0.00 -0.42 0.00 0.00 57.16 56.60 2kgl n GLU 161 Cb 0.69 -1.67 0.01 0.00 -0.57 0.00 0.00 31.44 29.89 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kgl n LYS 162 N -3.35 -2.04 -3.71 3.49 4.81 -1.26 -5.07 118.16 111.02 2kgl n LYS 162 Ca -0.34 1.88 -0.11 0.00 -0.87 0.00 0.00 58.31 58.87 2kgl n LYS 162 Cb 1.04 -4.81 -0.12 0.00 0.02 0.00 0.00 35.03 31.16 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -2.15 -0.40 0.53 3.14 0.01 -1.26 -5.13 114.94 109.67 2kgl s ASN 163 Ca 0.17 0.73 -0.09 0.00 -0.71 0.00 0.00 52.86 52.97 2kgl s ASN 163 Cb -0.05 0.62 -0.04 0.00 0.41 0.00 0.00 41.25 42.19 2kgl s ASN 163 CO 0.62 -0.18 0.89 -0.75 -1.51 0.00 0.00 177.10 176.17 2kgl s LYS 164 N 1.27 3.61 -0.15 -0.60 2.20 -1.26 -4.41 119.74 120.39 2kgl s LYS 164 Ca -0.09 0.48 -0.07 0.00 -0.36 0.00 0.00 55.97 55.93 2kgl s LYS 164 Cb -0.09 -2.25 0.07 0.00 -1.51 0.00 0.00 37.83 34.05 2kgl s LYS 164 CO -0.10 -0.33 0.35 0.99 -0.36 0.00 0.00 175.35 175.89 2kgl s THR 165 N -2.87 -0.26 -0.08 3.43 2.01 -1.26 -5.06 115.64 111.54 2kgl s THR 165 Ca 0.51 0.16 -0.14 0.00 0.31 0.00 0.00 61.69 62.53 2kgl s THR 165 Cb -0.11 -0.54 -0.11 0.00 0.01 0.00 0.00 72.50 71.75 2kgl s THR 165 CO 0.46 0.07 0.52 0.11 -0.69 0.00 0.00 174.62 175.09 2kgl h LYS 166 N 7.65 -0.16 0.00 4.92 1.57 -2.04 -3.27 116.57 125.25 2kgl h LYS 166 Ca -0.28 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.52 2kgl h LYS 166 Cb 1.14 0.04 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kgl h LYS 166 CO 0.23 0.18 0.00 -0.35 -0.57 0.00 0.00 179.45 178.94 2kgl n PRO 167 N -4.86 0.49 -0.10 3.15 -0.04 -1.26 -3.21 135.00 129.17 2kgl n PRO 167 Ca -0.05 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.28 2kgl n PRO 167 Cb 0.20 -1.22 -0.04 0.00 -0.04 0.00 0.00 33.50 32.40 2kgl n PRO 167 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kgl h GLU 168 N 0.00 0.66 -0.49 0.54 4.22 -1.98 -2.84 114.58 114.69 2kgl h GLU 168 Ca 0.00 -0.32 0.14 0.00 0.08 0.00 0.00 59.36 59.26 2kgl h GLU 168 Cb 0.00 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 2kgl h GLU 168 CO 0.00 0.92 0.35 0.87 -2.18 0.00 0.00 179.01 178.98 2kgl h LYS 169 N 0.41 0.00 0.06 1.92 1.57 -1.77 0.09 116.57 118.86 2kgl h LYS 169 Ca 0.06 -0.00 -0.25 0.00 -1.87 0.00 0.00 60.65 58.59 2kgl h LYS 169 Cb 0.76 -0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.08 2kgl h LYS 169 CO 0.06 0.00 -1.08 0.00 -0.57 0.00 0.00 179.45 177.86 2kgl h ALA 170 N 1.75 0.25 -0.46 3.86 0.00 -1.75 -1.55 119.26 121.36 2kgl h ALA 170 Ca 0.23 -0.78 -0.01 0.00 0.00 0.00 0.00 54.91 54.35 2kgl h ALA 170 Cb 0.93 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 2kgl h ALA 170 CO -0.00 0.88 0.26 -0.22 0.00 0.00 0.00 179.25 180.16 2kgl h LYS 171 N 0.16 0.63 0.00 0.00 3.64 -0.76 -2.22 116.57 118.02 2kgl h LYS 171 Ca -0.11 -0.07 -0.20 0.00 -1.27 0.00 0.00 60.65 59.01 2kgl h LYS 171 Cb 1.75 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 33.42 2kgl h LYS 171 CO 0.18 0.49 -0.95 -0.22 -2.27 0.00 0.00 179.45 176.68 2kgl h LYS 172 N 0.60 0.01 -0.02 1.90 3.64 -1.52 -3.13 116.57 118.06 2kgl h LYS 172 Ca 0.16 -0.01 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 2kgl h LYS 172 Cb 0.03 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.83 2kgl h LYS 172 CO -0.03 0.95 -0.07 0.87 -2.27 0.00 0.00 179.45 178.90 2kgl h LYS 173 N 0.00 -0.11 -0.59 1.90 1.57 -0.99 -2.75 116.57 115.59 2kgl h LYS 173 Ca -0.01 0.01 -0.05 0.00 -1.87 0.00 0.00 60.65 58.72 2kgl h LYS 173 Cb 1.67 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.98 2kgl h LYS 173 CO 0.12 -0.08 0.16 1.05 -0.57 0.00 0.00 179.45 180.14 2kgl h GLU 174 N -0.12 0.93 0.00 3.15 4.11 -1.50 -3.47 114.58 117.68 2kgl h GLU 174 Ca 0.03 -0.21 0.00 0.00 0.07 0.00 0.00 59.36 59.25 2kgl h GLU 174 Cb 0.16 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2kgl h GLU 174 CO -0.09 0.85 0.00 0.41 0.07 0.00 0.00 179.01 180.25 2kgl n GLY 175 N -0.67 4.27 0.31 1.06 0.00 -1.04 -4.13 105.19 105.00 2kgl n GLY 175 Ca 0.03 -1.13 -0.11 0.00 0.00 0.00 0.00 46.02 44.80 2kgl n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kgl h ASP 176 N 0.00 -0.63 -0.07 1.61 5.19 -1.79 -3.36 116.42 117.37 2kgl h ASP 176 Ca 0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.40 2kgl h ASP 176 Cb 0.00 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2kgl h ASP 176 CO 0.00 -0.24 -0.06 1.55 -3.12 0.00 0.00 179.24 177.36 2kgl h PRO 177 N -1.15 0.16 -1.37 3.56 0.13 -1.95 -3.47 132.00 127.91 2kgl h PRO 177 Ca -0.08 -0.08 0.28 0.00 -0.87 0.00 0.00 66.00 65.25 2kgl h PRO 177 Cb 0.57 0.00 -0.19 0.00 0.13 0.00 0.00 31.00 31.51 2kgl h PRO 177 CO 0.12 0.60 0.85 0.15 -0.23 0.00 0.00 178.00 179.50 2kgl s LYS 178 N -4.28 0.24 0.14 0.86 1.02 -1.26 -4.84 119.74 111.63 2kgl s LYS 178 Ca -0.15 -0.09 -0.02 0.00 0.02 0.00 0.00 55.97 55.72 2kgl s LYS 178 Cb 0.03 0.11 0.04 0.00 -0.52 0.00 0.00 37.83 37.49 2kgl s LYS 178 CO 0.71 -0.11 0.13 -0.35 -0.92 0.00 0.00 175.35 174.81 2kgl n PRO 179 N -0.10 -1.27 -3.34 -1.68 -0.04 -1.26 -4.43 135.00 122.88 2kgl n PRO 179 Ca 0.01 -0.20 -0.10 0.00 -0.04 0.00 0.00 63.50 63.17 2kgl n PRO 179 Cb 0.58 -0.19 0.00 0.00 -0.04 0.00 0.00 33.50 33.86 2kgl n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgl n ARG 180 N -1.90 -1.41 0.00 0.54 1.74 -1.26 -4.81 116.66 109.56 2kgl n ARG 180 Ca 0.02 1.18 0.00 0.00 -0.77 0.00 0.00 57.85 58.28 2kgl n ARG 180 Cb 0.07 -4.55 0.00 0.00 -1.02 0.00 0.00 32.46 26.96 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl n ALA 181 N -2.23 0.00 -0.21 7.54 0.00 -1.26 -4.97 120.51 119.37 2kgl n ALA 181 Ca -0.11 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.24 2kgl n ALA 181 Cb 0.57 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.05 2kgl n ALA 181 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2kgl h SER 182 N 0.00 1.06 0.36 0.00 0.87 -1.87 -1.30 113.55 112.67 2kgl h SER 182 Ca 0.00 -0.31 -0.00 0.00 -1.23 0.00 0.00 61.79 60.25 2kgl h SER 182 Cb 0.00 -0.29 -0.02 0.00 -0.44 0.00 0.00 62.40 61.66 2kgl h SER 182 CO 0.00 1.11 -0.32 0.50 -0.53 0.00 0.00 176.83 177.59 2kgl h LYS 183 N 0.99 -0.67 0.40 2.24 1.63 -1.93 0.24 116.57 119.47 2kgl h LYS 183 Ca 0.17 0.05 -0.02 0.00 -0.85 0.00 0.00 60.65 60.00 2kgl h LYS 183 Cb 0.57 0.15 0.00 0.00 -0.60 0.00 0.00 32.23 32.35 2kgl h LYS 183 CO 0.03 -0.45 -0.19 0.93 -3.45 0.00 0.00 179.45 176.33 2kgl h GLU 184 N -0.69 -0.52 -1.00 1.90 4.39 -1.94 0.24 114.58 116.95 2kgl h GLU 184 Ca -0.03 0.04 0.17 0.00 0.34 0.00 0.00 59.36 59.88 2kgl h GLU 184 Cb 0.62 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 29.28 2kgl h GLU 184 CO -0.04 -0.31 0.62 -0.44 -1.16 0.00 0.00 179.01 177.68 2kgl h ASP 185 N -0.60 0.81 -0.09 1.42 3.32 -1.17 -0.50 116.42 119.61 2kgl h ASP 185 Ca -0.05 0.08 -0.22 0.00 0.02 0.00 0.00 57.03 56.86 2kgl h ASP 185 Cb 0.45 -0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.94 2kgl h ASP 185 CO 0.09 0.32 -0.80 -1.13 -1.72 0.00 0.00 179.24 176.00 2kgl h ASN 186 N 0.81 0.90 -0.60 6.45 -1.24 -0.24 -2.45 115.58 119.21 2kgl h ASN 186 Ca 0.56 -0.60 0.08 0.00 0.71 0.00 0.00 56.30 57.05 2kgl h ASN 186 Cb 0.81 -0.27 -0.04 0.00 0.73 0.00 0.00 38.32 39.56 2kgl h ASN 186 CO -0.35 1.40 0.40 -0.09 -1.29 0.00 0.00 177.43 177.50 2kgl h ARG 187 N 0.50 0.47 -0.01 6.67 2.43 0.11 0.23 114.38 124.77 2kgl h ARG 187 Ca -0.06 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.08 2kgl h ARG 187 Cb 1.43 -0.11 0.00 0.00 -0.42 0.00 0.00 29.97 30.87 2kgl h ARG 187 CO 0.16 0.31 -0.02 0.00 -1.51 0.00 0.00 179.97 178.92 2kgl n ALA 188 N -2.50 2.62 -1.51 2.80 0.00 -0.70 -4.62 120.51 116.60 2kgl n ALA 188 Ca 0.09 -0.43 -0.42 0.00 0.00 0.00 0.00 53.44 52.69 2kgl n ALA 188 Cb 0.31 -1.18 -0.07 0.00 0.00 0.00 0.00 19.45 18.50 2kgl n ALA 188 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kgl n GLY 189 N 1.18 0.12 0.00 0.00 0.00 0.79 -4.89 105.19 102.39 2kgl n GLY 189 Ca 0.19 0.87 0.00 0.00 0.00 0.00 0.00 46.02 47.08 2kgl n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 190 N 12.69 1.95 -2.75 1.61 7.64 -1.26 -1.95 113.62 131.54 2kgl n SER 190 Ca 0.46 -1.00 -0.00 0.00 1.01 0.00 0.00 58.87 59.34 2kgl n SER 190 Cb 0.32 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.52 2kgl n SER 190 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 2kgl n ARG 191 N -0.03 -3.34 -3.17 1.43 3.00 -1.26 -4.07 116.66 109.23 2kgl n ARG 191 Ca 0.00 2.69 -0.20 0.00 -0.01 0.00 0.00 57.85 60.33 2kgl n ARG 191 Cb 0.00 -5.16 0.05 0.00 0.00 0.00 0.00 32.46 27.35 2kgl n ARG 191 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.63 175.50 2kgl n ARG 192 N 0.74 -5.52 0.00 5.56 0.00 -1.26 -3.84 116.66 112.33 2kgl n ARG 192 Ca 0.00 0.75 0.00 0.00 -0.00 0.00 0.00 57.85 58.61 2kgl n ARG 192 Cb 0.03 -5.41 0.00 0.00 0.00 0.00 0.00 32.46 27.09 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.63 175.72 2kgl n GLU 193 N -3.97 0.00 -3.12 -0.14 4.07 -1.26 -4.89 120.64 111.33 2kgl n GLU 193 Ca -0.05 0.00 -0.05 0.00 -0.06 0.00 0.00 57.16 57.00 2kgl n GLU 193 Cb 0.58 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.96 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 2kgl n ASP 194 N -2.29 -7.44 0.00 4.31 8.00 -0.82 -4.99 116.55 113.33 2kgl n ASP 194 Ca 0.00 -0.07 0.00 0.00 0.71 0.00 0.00 54.79 55.43 2kgl n ASP 194 Cb 0.00 -4.82 0.00 0.00 -0.02 0.00 0.00 41.12 36.28 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70