#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 7.39 0.42 0.00 1.01 -1.26 -4.79 116.67 119.44 2kgl s ASP 2 Ca 0.00 1.95 -0.17 0.00 0.71 0.00 0.00 52.55 55.04 2kgl s ASP 2 Cb 0.00 -2.60 -0.09 0.00 1.01 0.00 0.00 42.92 41.24 2kgl s ASP 2 CO 0.00 -0.13 0.88 0.42 0.21 0.00 0.00 175.17 176.55 2kgl s THR 3 N -0.21 4.55 0.11 -1.27 -4.23 -1.26 -5.00 115.64 108.34 2kgl s THR 3 Ca 0.48 1.16 -0.14 0.00 -1.18 0.00 0.00 61.69 62.01 2kgl s THR 3 Cb -0.27 -3.65 -0.07 0.00 1.34 0.00 0.00 72.50 69.85 2kgl s THR 3 CO 0.32 -0.41 1.44 1.55 -0.54 0.00 0.00 174.62 176.99 2kgl h PRO 4 N 1.66 0.77 -1.60 3.99 0.13 -1.96 -3.48 132.00 131.51 2kgl h PRO 4 Ca -0.48 -0.41 0.00 0.00 -0.87 0.00 0.00 66.00 64.24 2kgl h PRO 4 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kgl h PRO 4 CO 0.63 1.03 0.00 0.41 -0.23 0.00 0.00 178.00 179.84 2kgl n GLY 5 N 0.15 0.51 1.02 1.56 0.00 -1.26 -4.92 105.19 102.25 2kgl n GLY 5 Ca -0.03 -0.43 0.00 0.00 0.00 0.00 0.00 46.02 45.56 2kgl n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgl n GLU 6 N -0.80 0.00 -1.16 1.61 1.02 -1.26 -5.00 120.64 115.06 2kgl n GLU 6 Ca 0.00 0.00 -0.34 0.00 -0.02 0.00 0.00 57.16 56.80 2kgl n GLU 6 Cb 0.42 0.00 -0.03 0.00 -0.02 0.00 0.00 31.44 31.82 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgl n ALA 7 N -2.82 6.76 -2.55 0.62 0.00 -1.26 -4.86 120.51 116.40 2kgl n ALA 7 Ca 0.00 -3.11 -0.24 0.00 0.00 0.00 0.00 53.44 50.09 2kgl n ALA 7 Cb 0.00 -3.28 -0.13 0.00 0.00 0.00 0.00 19.45 16.04 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 2.53 1.57 0.96 0.00 -1.32 -1.26 -5.05 115.64 113.07 2kgl s THR 8 Ca 0.61 -1.33 -0.12 0.00 -1.21 0.00 0.00 61.69 59.64 2kgl s THR 8 Cb 0.16 -1.41 0.17 0.00 -1.51 0.00 0.00 72.50 69.90 2kgl s THR 8 CO -0.05 0.03 1.09 -2.16 -2.21 0.00 0.00 174.62 171.32 2kgl s PRO 9 N -1.54 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.98 2kgl s PRO 9 Ca 0.05 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.61 2kgl s PRO 9 Cb -0.09 -1.76 0.16 0.00 0.04 0.00 0.00 34.50 32.85 2kgl s PRO 9 CO 0.03 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.36 2kgl s PRO 10 N -4.95 0.77 -1.13 0.56 0.04 -1.26 -4.88 135.00 124.15 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 -1.77 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2kgl s PRO 10 CO 0.57 -2.53 1.93 -0.35 0.04 0.00 0.00 177.00 176.66 2kgl n PRO 11 N -4.06 1.57 0.43 0.56 -0.04 -1.26 -4.77 135.00 127.44 2kgl n PRO 11 Ca 0.06 -2.38 -0.19 0.00 -0.04 0.00 0.00 63.50 60.95 2kgl n PRO 11 Cb 0.56 -3.62 -0.09 0.00 -0.04 0.00 0.00 33.50 30.31 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 9.46 -1.06 0.00 0.54 9.65 -2.03 -3.41 114.38 127.53 2kgl h ARG 12 Ca 0.25 0.07 -0.01 0.00 -1.10 0.00 0.00 59.98 59.19 2kgl h ARG 12 Cb 0.90 0.24 -0.01 0.00 -1.39 0.00 0.00 29.97 29.71 2kgl h ARG 12 CO 1.33 -0.71 -0.21 1.63 2.80 0.00 0.00 179.97 184.81 2kgl n LYS 13 N -5.57 0.00 0.18 0.20 5.02 -1.26 -4.88 118.16 111.85 2kgl n LYS 13 Ca -0.15 -0.44 -0.07 0.00 -2.02 0.00 0.00 58.31 55.63 2kgl n LYS 13 Cb 0.45 -0.18 -0.04 0.00 -0.02 0.00 0.00 35.03 35.24 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 -0.46 -0.77 1.97 1.57 -1.80 -3.25 116.57 113.84 2kgl h LYS 14 Ca -0.02 0.03 -0.12 0.00 -1.87 0.00 0.00 60.65 58.67 2kgl h LYS 14 Cb 1.18 0.11 -0.07 0.00 0.08 0.00 0.00 32.23 33.52 2kgl h LYS 14 CO -0.01 -0.31 0.16 1.17 -0.57 0.00 0.00 179.45 179.89 2kgl n LYS 15 N -3.59 3.42 0.01 3.15 0.00 -1.26 -0.88 118.16 119.01 2kgl n LYS 15 Ca -0.06 -2.42 -0.14 0.00 0.00 0.00 0.00 58.31 55.69 2kgl n LYS 15 Cb 0.19 -2.05 -0.14 0.00 0.00 0.00 0.00 35.03 33.03 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 2kgl h ASP 16 N 2.41 0.20 -4.93 3.14 5.19 -1.82 -3.48 116.42 117.12 2kgl h ASP 16 Ca 0.15 -0.40 0.01 0.00 -0.62 0.00 0.00 57.03 56.18 2kgl h ASP 16 Cb 1.90 -0.07 -0.13 0.00 0.18 0.00 0.00 39.33 41.21 2kgl h ASP 16 CO 0.53 1.35 -1.58 -0.38 -3.12 0.00 0.00 179.24 176.04 2kgl n ILE 17 N -3.27-12.81 -1.68 0.35 -0.00 -1.26 -4.54 119.36 96.16 2kgl n ILE 17 Ca -0.20 2.77 -0.47 0.00 -0.00 0.00 0.00 62.75 64.84 2kgl n ILE 17 Cb 1.04 -6.50 -0.04 0.00 -0.00 0.00 0.00 39.64 34.14 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 1.68 2.26 -1.25 0.38 3.00 -1.26 -0.08 116.66 121.39 2kgl n ARG 18 Ca -0.42 0.83 -0.09 0.00 -0.01 0.00 0.00 57.85 58.16 2kgl n ARG 18 Cb 0.64 -2.67 -0.04 0.00 0.00 0.00 0.00 32.46 30.39 2kgl n ARG 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kgl n ASP 19 N 6.18 -5.30 -3.41 0.55 9.92 -1.15 -0.36 116.55 122.99 2kgl n ASP 19 Ca 0.21 0.22 -0.24 0.00 -0.53 0.00 0.00 54.79 54.45 2kgl n ASP 19 Cb 0.31 -3.57 -0.01 0.00 -0.64 0.00 0.00 41.12 37.21 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 2kgl n TYR 20 N -2.33 -1.78 0.00 1.24 9.36 0.89 -4.20 117.16 120.34 2kgl n TYR 20 Ca -0.09 0.48 0.00 0.00 3.32 0.00 0.00 57.90 61.61 2kgl n TYR 20 Cb 0.50 -2.90 0.00 0.00 -0.63 0.00 0.00 39.34 36.30 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kgl n ASN 21 N -2.30 0.00 0.33 2.98 5.15 -1.06 -4.94 115.26 115.41 2kgl n ASN 21 Ca -0.01 0.00 0.22 0.00 -0.60 0.00 0.00 54.58 54.19 2kgl n ASN 21 Cb 0.54 0.00 1.16 0.00 -0.53 0.00 0.00 39.78 40.94 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.02 1.20 3.58 -0.87 -2.95 116.42 117.37 2kgl h ASP 22 Ca 0.00 0.00 0.02 0.00 0.42 0.00 0.00 57.03 57.47 2kgl h ASP 22 Cb 0.00 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 40.99 2kgl h ASP 22 CO 0.00 0.00 -0.51 0.00 -2.88 0.00 0.00 179.24 175.85 2kgl h ALA 23 N 1.96 -0.88 -0.79 -0.78 0.00 -1.86 0.17 119.26 117.09 2kgl h ALA 23 Ca 0.00 -0.07 0.01 0.00 0.00 0.00 0.00 54.91 54.85 2kgl h ALA 23 Cb 0.04 0.91 -0.04 0.00 0.00 0.00 0.00 17.79 18.70 2kgl h ALA 23 CO 0.00 -1.08 0.52 0.38 0.00 0.00 0.00 179.25 179.07 2kgl h ASP 24 N -0.65 0.90 -0.83 0.00 3.04 -1.87 -2.04 116.42 114.97 2kgl h ASP 24 Ca 0.02 -0.02 -0.01 0.00 -3.24 0.00 0.00 57.03 53.78 2kgl h ASP 24 Cb 0.71 -0.22 -0.04 0.00 -1.04 0.00 0.00 39.33 38.73 2kgl h ASP 24 CO -0.36 0.65 0.49 -0.03 -2.04 0.00 0.00 179.24 177.95 2kgl h MET 25 N 1.06 1.13 -0.95 4.15 4.05 -1.34 -2.38 114.93 120.65 2kgl h MET 25 Ca 0.29 -0.11 0.08 0.00 -0.28 0.00 0.00 59.70 59.69 2kgl h MET 25 Cb -0.11 -0.24 -0.07 0.00 -0.80 0.00 0.00 31.60 30.38 2kgl h MET 25 CO -0.06 0.80 0.60 0.00 0.23 0.00 0.00 176.91 178.47 2kgl h ALA 26 N 1.39 1.35 -0.94 0.39 0.00 0.05 -1.20 119.26 120.30 2kgl h ALA 26 Ca 0.30 -0.00 0.20 0.00 0.00 0.00 0.00 54.91 55.41 2kgl h ALA 26 Cb -0.04 -0.24 -0.08 0.00 0.00 0.00 0.00 17.79 17.43 2kgl h ALA 26 CO -0.05 0.31 0.61 0.00 0.00 0.00 0.00 179.25 180.11 2kgl h ARG 27 N 1.04 0.50 -0.67 0.00 2.47 -1.39 -0.62 114.38 115.71 2kgl h ARG 27 Ca 0.43 -0.03 0.13 0.00 -1.26 0.00 0.00 59.98 59.25 2kgl h ARG 27 Cb 0.27 -0.11 -0.09 0.00 -1.65 0.00 0.00 29.97 28.38 2kgl h ARG 27 CO -0.21 0.33 0.18 -0.07 0.56 0.00 0.00 179.97 180.77 2kgl h LEU 28 N 0.52 0.07 -1.91 3.04 3.38 -1.29 0.23 115.31 119.35 2kgl h LEU 28 Ca 0.50 0.12 0.15 0.00 0.09 0.00 0.00 57.88 58.74 2kgl h LEU 28 Cb 1.09 0.15 -0.03 0.00 0.09 0.00 0.00 40.66 41.96 2kgl h LEU 28 CO -0.23 0.02 0.41 0.25 0.09 0.00 0.00 178.44 178.97 2kgl h LEU 29 N 0.31 0.08 -1.10 1.67 5.85 -1.22 0.26 115.31 121.16 2kgl h LEU 29 Ca 0.36 0.00 -0.08 0.00 0.84 0.00 0.00 57.88 59.00 2kgl h LEU 29 Cb 0.55 -0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.56 2kgl h LEU 29 CO -0.43 0.04 -0.38 -0.08 -0.34 0.00 0.00 178.44 177.26 2kgl h GLU 30 N 0.09 0.00 -0.68 1.25 4.81 -0.60 -3.13 114.58 116.31 2kgl h GLU 30 Ca 0.27 0.00 0.13 0.00 -0.13 0.00 0.00 59.36 59.64 2kgl h GLU 30 Cb 0.97 0.00 -0.09 0.00 0.63 0.00 0.00 28.75 30.26 2kgl h GLU 30 CO -0.03 0.38 0.19 0.37 -0.73 0.00 0.00 179.01 179.20 2kgl h GLN 31 N 0.00 0.31 -0.92 1.92 -0.00 -0.31 0.22 115.11 116.33 2kgl h GLN 31 Ca -0.00 -0.02 0.09 0.00 -0.00 0.00 0.00 58.65 58.72 2kgl h GLN 31 Cb 0.81 -0.07 -0.07 0.00 0.00 0.00 0.00 27.48 28.14 2kgl h GLN 31 CO 0.05 0.21 0.57 2.35 0.00 0.00 0.00 178.83 182.00 2kgl h TRP 32 N 0.32 1.04 0.00 3.99 2.91 -1.65 0.11 115.95 122.67 2kgl h TRP 32 Ca 0.37 0.03 -0.01 0.00 1.13 0.00 0.00 58.89 60.41 2kgl h TRP 32 Cb 0.57 -0.33 -0.00 0.00 -0.51 0.00 0.00 29.16 28.89 2kgl h TRP 32 CO -0.23 0.46 -0.06 0.93 -1.03 0.00 0.00 178.44 178.51 2kgl h GLU 33 N 0.96 0.00 -0.33 2.65 4.39 -1.13 -3.07 114.58 118.05 2kgl h GLU 33 Ca 0.43 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 60.12 2kgl h GLU 33 Cb 0.34 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.98 2kgl h GLU 33 CO -0.23 0.06 0.15 -0.22 -1.16 0.00 0.00 179.01 177.61 2kgl h LYS 34 N 0.00 0.48 -0.99 2.33 3.11 0.10 0.21 116.57 121.81 2kgl h LYS 34 Ca -0.00 -0.07 0.28 0.00 -2.81 0.00 0.00 60.65 58.04 2kgl h LYS 34 Cb 0.55 -0.08 -0.05 0.00 -1.00 0.00 0.00 32.23 31.64 2kgl h LYS 34 CO 0.01 0.45 0.70 0.22 -2.81 0.00 0.00 179.45 178.01 2kgl h ASP 35 N 0.39 0.10 0.00 4.20 3.58 -1.48 0.42 116.42 123.64 2kgl h ASP 35 Ca 0.11 0.02 -0.16 0.00 0.42 0.00 0.00 57.03 57.42 2kgl h ASP 35 Cb 0.13 -0.00 -0.02 0.00 1.72 0.00 0.00 39.33 41.16 2kgl h ASP 35 CO -0.01 0.03 -1.07 -0.67 -2.88 0.00 0.00 179.24 174.63 2kgl n ASP 36 N -4.32 1.85 0.00 2.28 2.03 -0.89 -4.67 116.55 112.82 2kgl n ASP 36 Ca 0.21 0.49 0.00 0.00 0.52 0.00 0.00 54.79 56.01 2kgl n ASP 36 Cb 1.00 -0.92 0.00 0.00 -0.72 0.00 0.00 41.12 40.47 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 2kgl n ASP 37 N -4.49 0.00 -2.36 1.67 8.00 0.70 -5.02 116.55 115.06 2kgl n ASP 37 Ca -0.25 0.88 -0.00 0.00 0.71 0.00 0.00 54.79 56.13 2kgl n ASP 37 Cb 0.55 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.94 -9.19 -0.00 0.53 5.41 0.14 -5.04 119.36 109.27 2kgl n ILE 38 Ca 0.00 1.35 -0.00 0.00 1.00 0.00 0.00 62.75 65.10 2kgl n ILE 38 Cb 0.00 -6.07 -0.00 0.00 -0.71 0.00 0.00 39.64 32.86 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 0.54 0.02 -3.00 0.38 4.07 -1.26 -5.12 120.64 116.26 2kgl n GLU 39 Ca -0.02 0.01 0.00 0.00 -0.06 0.00 0.00 57.16 57.09 2kgl n GLU 39 Cb 0.03 -0.25 0.00 0.00 -0.06 0.00 0.00 31.44 31.16 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.06 0.00 0.00 177.13 175.16 2kgl n GLU 40 N -2.63 -0.98 0.00 5.31 2.13 -1.26 -5.03 120.64 118.17 2kgl n GLU 40 Ca -0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kgl n GLU 40 Cb 0.02 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.73 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 41 N 0.00 0.56 2.69 8.31 0.00 -1.25 -4.29 105.19 111.21 2kgl n GLY 41 Ca 0.00 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.24 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 0.00 -0.20 -4.42 1.61 2.03 -1.26 -4.53 116.55 109.78 2kgl n ASP 42 Ca 0.00 -2.55 -0.33 0.00 0.52 0.00 0.00 54.79 52.43 2kgl n ASP 42 Cb 0.00 0.23 0.13 0.00 -0.72 0.00 0.00 41.12 40.76 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 -0.38 -0.24 0.25 -2.67 4.32 -1.26 -4.88 117.00 112.14 2kgl n LEU 43 Ca 0.02 0.30 0.14 0.00 -0.02 0.00 0.00 56.01 56.45 2kgl n LEU 43 Cb 0.84 -1.20 0.61 0.00 -1.62 0.00 0.00 43.42 42.05 2kgl n LEU 43 CO 0.09 -3.55 0.92 1.55 -1.22 0.00 0.00 177.39 175.18 2kgl h PRO 44 N -1.62 0.00 -7.06 3.23 0.13 -2.01 -3.46 132.00 121.21 2kgl h PRO 44 Ca -0.44 0.00 -0.61 0.00 -0.87 0.00 0.00 66.00 64.08 2kgl h PRO 44 Cb 1.29 0.00 -0.34 0.00 0.13 0.00 0.00 31.00 32.08 2kgl h PRO 44 CO 0.35 0.11 -0.89 -0.85 -0.23 0.00 0.00 178.00 176.49 2kgl n GLU 45 N -3.29 -0.77 -0.13 0.86 0.28 -1.26 -4.73 120.64 111.61 2kgl n GLU 45 Ca -0.00 0.13 0.26 0.00 -0.16 0.00 0.00 57.16 57.39 2kgl n GLU 45 Cb 0.34 -4.33 0.72 0.00 1.43 0.00 0.00 31.44 29.60 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 -0.16 0.00 0.00 177.13 178.09 2kgl h HIS 46 N -1.03 0.00 0.00 -1.84 2.07 -1.93 -3.44 115.15 108.98 2kgl h HIS 46 Ca -0.59 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 56.93 2kgl h HIS 46 Cb 1.35 0.00 0.00 0.00 2.57 0.00 0.00 27.41 31.33 2kgl h HIS 46 CO 0.65 0.00 0.00 1.63 -3.07 0.00 0.00 177.93 177.14 2kgl n LYS 47 N -4.28 0.00 -3.39 5.12 5.02 -1.26 -5.08 118.16 114.29 2kgl n LYS 47 Ca 0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 2kgl n LYS 47 Cb 0.87 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.88 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -2.10 -1.41 -2.18 1.97 5.12 -1.26 -4.51 116.66 112.28 2kgl n ARG 48 Ca 0.00 1.12 -0.42 0.00 -1.93 0.00 0.00 57.85 56.62 2kgl n ARG 48 Cb 0.00 -4.33 -0.03 0.00 -1.16 0.00 0.00 32.46 26.94 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 2kgl s PRO 49 N -4.02 4.28 0.09 5.56 0.04 -1.26 -4.90 135.00 134.79 2kgl s PRO 49 Ca 0.05 2.02 0.05 0.00 0.04 0.00 0.00 61.00 63.17 2kgl s PRO 49 Cb -0.02 -3.53 -0.04 0.00 0.04 0.00 0.00 34.50 30.95 2kgl s PRO 49 CO 0.81 -0.58 -0.03 -1.12 0.04 0.00 0.00 177.00 176.13 2kgl s SER 50 N 1.85 4.82 0.30 6.66 0.01 -1.25 -5.09 113.70 120.99 2kgl s SER 50 Ca 0.65 -0.23 0.11 0.00 1.31 0.00 0.00 55.95 57.79 2kgl s SER 50 Cb -0.33 -1.09 -0.05 0.00 0.21 0.00 0.00 66.02 64.76 2kgl s SER 50 CO 0.28 0.18 -0.17 0.00 0.41 0.00 0.00 173.24 173.94 2kgl s ALA 51 N -1.26 2.81 -1.12 1.44 0.00 -1.26 -4.13 121.76 118.24 2kgl s ALA 51 Ca 0.24 -1.93 -0.23 0.00 0.00 0.00 0.00 51.96 50.05 2kgl s ALA 51 Cb -0.11 -0.22 -0.10 0.00 0.00 0.00 0.00 23.12 22.68 2kgl s ALA 51 CO 0.16 0.23 1.93 -0.35 0.00 0.00 0.00 175.76 177.73 2kgl n PRO 52 N -0.67 1.58 -1.16 0.00 -0.04 -1.25 -4.75 135.00 128.71 2kgl n PRO 52 Ca -0.05 -2.37 -0.26 0.00 -0.04 0.00 0.00 63.50 60.78 2kgl n PRO 52 Cb 0.61 -3.60 0.05 0.00 -0.04 0.00 0.00 33.50 30.52 2kgl n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2kgl n ILE 53 N 7.53 3.23 -1.93 0.52 -5.35 -1.26 -4.91 119.36 117.18 2kgl n ILE 53 Ca 0.46 -2.40 -0.30 0.00 -0.27 0.00 0.00 62.75 60.24 2kgl n ILE 53 Cb 0.46 -1.27 0.04 0.00 -1.74 0.00 0.00 39.64 37.13 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 -0.77 5.58 -0.08 7.28 -4.77 -1.26 -4.91 116.67 117.74 2kgl s ASP 54 Ca 0.49 1.14 -0.01 0.00 -3.30 0.00 0.00 52.55 50.87 2kgl s ASP 54 Cb 0.38 -1.99 -0.04 0.00 -1.09 0.00 0.00 42.92 40.17 2kgl s ASP 54 CO -0.03 -1.25 -0.08 2.22 0.70 0.00 0.00 175.17 176.73 2kgl n PHE 55 N -2.93 0.00 -2.16 2.11 -1.74 -1.26 -5.12 117.46 106.35 2kgl n PHE 55 Ca 0.07 0.00 -0.01 0.00 -0.56 0.00 0.00 57.45 56.95 2kgl n PHE 55 Cb 0.57 -0.29 -0.01 0.00 1.52 0.00 0.00 39.48 41.27 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kgl n SER 56 N -2.95 -6.68 0.03 5.98 2.88 -1.26 -5.06 113.62 106.56 2kgl n SER 56 Ca -0.14 1.45 0.00 0.00 -1.33 0.00 0.00 58.87 58.84 2kgl n SER 56 Cb 0.63 -4.47 0.00 0.00 -0.75 0.00 0.00 64.21 59.62 2kgl n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kgl n LYS 57 N 1.48 0.00 0.00 -1.46 5.02 -1.26 -4.98 118.16 116.96 2kgl n LYS 57 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.22 2kgl n LYS 57 Cb 0.11 -0.06 0.00 0.00 -0.02 0.00 0.00 35.03 35.06 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kgl n LEU 58 N -2.78 0.06 -4.65 -0.35 4.32 -1.26 -4.80 117.00 107.53 2kgl n LEU 58 Ca 0.00 0.85 -0.31 0.00 -0.02 0.00 0.00 56.01 56.53 2kgl n LEU 58 Cb 0.00 -0.45 0.18 0.00 -1.62 0.00 0.00 43.42 41.53 2kgl n LEU 58 CO 0.00 -0.45 0.66 0.47 -1.22 0.00 0.00 177.39 176.85 2kgl n ASP 59 N -1.85 0.16 -0.03 -1.43 9.92 -1.26 -4.96 116.55 117.09 2kgl n ASP 59 Ca 0.00 0.37 -0.13 0.00 -0.53 0.00 0.00 54.79 54.50 2kgl n ASP 59 Cb 0.00 -1.46 -0.09 0.00 -0.64 0.00 0.00 41.12 38.93 2kgl n ASP 59 CO 0.00 0.00 0.00 1.55 0.13 0.00 0.00 177.20 178.88 2kgl h PRO 60 N -1.98 0.15 0.00 -0.24 0.13 -1.94 -3.48 132.00 124.64 2kgl h PRO 60 Ca -0.45 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.61 2kgl h PRO 60 Cb 1.28 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kgl h PRO 60 CO 0.42 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.19 2kgl n GLY 61 N 0.21 1.66 2.34 1.56 0.00 -1.26 -4.98 105.19 104.72 2kgl n GLY 61 Ca -0.07 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.76 2kgl n GLY 61 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 2kgl n LYS 62 N -0.63 0.80 -2.17 1.61 2.85 -1.26 -5.01 118.16 114.35 2kgl n LYS 62 Ca 0.00 -2.88 -0.42 0.00 -1.05 0.00 0.00 58.31 53.96 2kgl n LYS 62 Cb 0.00 -1.35 -0.03 0.00 -0.65 0.00 0.00 35.03 33.00 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 2kgl s PRO 63 N -0.99 4.25 0.07 -1.58 0.04 -1.26 -4.92 135.00 130.61 2kgl s PRO 63 Ca 0.35 2.02 -0.02 0.00 0.04 0.00 0.00 61.00 63.38 2kgl s PRO 63 Cb 0.23 -3.66 -0.27 0.00 0.04 0.00 0.00 34.50 30.84 2kgl s PRO 63 CO -0.12 -0.65 1.12 1.49 0.04 0.00 0.00 177.00 178.88 2kgl h GLU 64 N 8.20 0.23 -0.14 4.56 4.81 -2.01 -3.28 114.58 126.96 2kgl h GLU 64 Ca -0.38 -0.39 -0.06 0.00 -0.13 0.00 0.00 59.36 58.40 2kgl h GLU 64 Cb 1.17 0.15 -0.00 0.00 0.63 0.00 0.00 28.75 30.70 2kgl h GLU 64 CO 0.92 1.17 -0.17 0.66 -0.73 0.00 0.00 179.01 180.86 2kgl h SER 65 N 0.06 0.39 -0.03 1.04 4.64 -1.91 -2.93 113.55 114.82 2kgl h SER 65 Ca -0.13 -0.50 0.01 0.00 -0.47 0.00 0.00 61.79 60.69 2kgl h SER 65 Cb 1.95 -0.11 -0.00 0.00 -0.31 0.00 0.00 62.40 63.93 2kgl h SER 65 CO 0.19 0.81 0.13 0.40 -0.87 0.00 0.00 176.83 177.49 2kgl h ILE 66 N -0.03 0.09 -0.56 0.95 2.04 -1.87 -1.57 117.51 116.57 2kgl h ILE 66 Ca 0.02 0.00 0.16 0.00 1.00 0.00 0.00 64.86 66.04 2kgl h ILE 66 Cb 0.71 0.88 -0.02 0.00 -0.74 0.00 0.00 36.82 37.65 2kgl h ILE 66 CO 0.04 0.00 0.50 -0.07 0.00 0.00 0.00 178.15 178.62 2kgl h LEU 67 N 0.00 0.00 -2.29 1.44 3.38 -1.57 0.22 115.31 116.50 2kgl h LEU 67 Ca 0.01 0.00 0.04 0.00 0.09 0.00 0.00 57.88 58.02 2kgl h LEU 67 Cb 0.27 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.02 2kgl h LEU 67 CO -0.00 0.00 0.22 0.07 0.09 0.00 0.00 178.44 178.82 2kgl h LYS 68 N 0.00 0.00 -0.65 1.13 5.09 -1.48 -1.03 116.57 119.63 2kgl h LYS 68 Ca 0.27 0.00 0.19 0.00 0.09 0.00 0.00 60.65 61.19 2kgl h LYS 68 Cb 1.27 0.00 -0.03 0.00 0.10 0.00 0.00 32.23 33.58 2kgl h LYS 68 CO -0.00 0.00 0.54 0.00 -2.09 0.00 0.00 179.45 177.89 2kgl h MET 69 N 0.00 0.00 -4.35 0.07 -0.00 -0.79 -3.45 114.93 106.42 2kgl h MET 69 Ca 0.06 0.00 -0.28 0.00 -0.00 0.00 0.00 59.70 59.48 2kgl h MET 69 Cb 0.49 0.00 0.10 0.00 -0.00 0.00 0.00 31.60 32.19 2kgl h MET 69 CO -0.00 0.00 -0.47 2.41 -0.00 0.00 0.00 176.91 178.85 2kgl n THR 70 N -4.05 -2.07 -2.30 -0.10 -1.04 -0.39 -4.45 114.28 99.88 2kgl n THR 70 Ca 0.13 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.11 2kgl n THR 70 Cb 0.78 -3.23 -0.02 0.00 -1.82 0.00 0.00 70.33 66.04 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 -3.64 -4.28 -0.76 -2.82 4.81 -1.26 -4.65 118.16 105.57 2kgl n LYS 71 Ca 0.00 3.22 -0.19 0.00 -0.87 0.00 0.00 58.31 60.47 2kgl n LYS 71 Cb 0.54 -4.34 0.16 0.00 0.02 0.00 0.00 35.03 31.41 2kgl n LYS 71 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgl n LYS 72 N 1.54 -2.12 0.00 1.64 4.76 -1.26 -4.93 118.16 117.79 2kgl n LYS 72 Ca -0.18 -1.15 0.00 0.00 -2.87 0.00 0.00 58.31 54.11 2kgl n LYS 72 Cb 0.27 -1.02 0.00 0.00 -1.84 0.00 0.00 35.03 32.45 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2kgl n GLY 73 N -1.89 0.00 3.05 0.72 0.00 -1.26 -4.79 105.19 101.02 2kgl n GLY 73 Ca 0.10 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.96 2kgl n GLY 73 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 2kgl s LYS 74 N -1.40 0.61 0.10 1.61 0.00 -1.26 -0.10 119.74 119.29 2kgl s LYS 74 Ca 0.00 -0.57 -0.02 0.00 0.00 0.00 0.00 55.97 55.38 2kgl s LYS 74 Cb 0.00 -0.52 0.02 0.00 0.00 0.00 0.00 37.83 37.33 2kgl s LYS 74 CO 0.00 0.12 0.13 0.25 0.00 0.00 0.00 175.35 175.85 2kgl n THR 75 N 2.07 0.00 -4.40 3.79 -2.24 -1.18 -4.74 114.28 107.58 2kgl n THR 75 Ca -0.18 -0.09 -0.21 0.00 -2.27 0.00 0.00 64.05 61.30 2kgl n THR 75 Cb 0.56 -1.87 -0.16 0.00 -2.10 0.00 0.00 70.33 66.76 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 1.78 -0.27 3.22 2.34 -1.26 -4.79 118.68 119.70 2kgl s LEU 76 Ca 0.07 -0.19 -0.08 0.00 0.06 0.00 0.00 54.13 53.99 2kgl s LEU 76 Cb -0.00 -0.57 0.12 0.00 -0.56 0.00 0.00 46.19 45.18 2kgl s LEU 76 CO 0.05 0.07 0.57 0.00 -1.06 0.00 0.00 176.35 175.98 2kgl s MET 77 N 0.21 0.50 -0.19 1.48 0.23 -1.21 -3.21 119.30 117.11 2kgl s MET 77 Ca -0.04 1.29 -0.09 0.00 -1.03 0.00 0.00 55.69 55.82 2kgl s MET 77 Cb -0.09 0.67 0.07 0.00 -1.53 0.00 0.00 34.83 33.96 2kgl s MET 77 CO 0.01 -0.25 0.45 -1.64 -2.03 0.00 0.00 175.02 171.55 2kgl s MET 78 N 2.81 0.41 -0.09 3.16 -1.94 -0.91 -0.11 119.30 122.63 2kgl s MET 78 Ca -0.03 0.92 -0.01 0.00 -1.71 0.00 0.00 55.69 54.86 2kgl s MET 78 Cb -0.12 0.12 0.03 0.00 2.01 0.00 0.00 34.83 36.87 2kgl s MET 78 CO -0.17 -0.19 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.58 2kgl s PHE 79 N 1.82 0.83 -0.02 -0.03 0.08 0.91 -2.60 117.98 118.97 2kgl s PHE 79 Ca -0.07 -0.31 -0.06 0.00 0.12 0.00 0.00 56.93 56.61 2kgl s PHE 79 Cb -0.09 -0.89 0.01 0.00 -0.57 0.00 0.00 43.02 41.47 2kgl s PHE 79 CO -0.14 -0.38 0.14 0.54 -0.10 0.00 0.00 175.22 175.28 2kgl s VAL 80 N 1.92 0.05 -0.44 -0.44 0.11 -1.16 -0.41 120.40 120.04 2kgl s VAL 80 Ca 0.05 -0.38 0.06 0.00 -2.93 0.00 0.00 61.98 58.78 2kgl s VAL 80 Cb -0.13 -0.32 0.20 0.00 -1.53 0.00 0.00 36.38 34.60 2kgl s VAL 80 CO -0.06 -0.21 0.51 1.07 -3.33 0.00 0.00 175.10 173.08 2kgl n THR 81 N 2.19 -0.75 -3.58 5.04 5.66 0.81 -2.11 114.28 121.54 2kgl n THR 81 Ca -0.18 -2.83 -0.07 0.00 -3.05 0.00 0.00 64.05 57.92 2kgl n THR 81 Cb 0.57 -0.86 -0.03 0.00 -1.55 0.00 0.00 70.33 68.46 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 0.06 0.00 -0.01 1.08 0.11 0.55 -1.96 120.40 120.23 2kgl s VAL 82 Ca 0.33 0.00 -0.30 0.00 -2.93 0.00 0.00 61.98 59.08 2kgl s VAL 82 Cb 0.07 -1.00 -0.07 0.00 -1.53 0.00 0.00 36.38 33.86 2kgl s VAL 82 CO -0.15 0.00 1.66 -0.55 -3.33 0.00 0.00 175.10 172.72 2kgl s SER 83 N -1.74 6.65 0.19 3.54 0.15 -1.26 -3.15 113.70 118.07 2kgl s SER 83 Ca 0.05 2.33 0.00 0.00 0.70 0.00 0.00 55.95 59.02 2kgl s SER 83 Cb -0.01 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.76 2kgl s SER 83 CO -0.04 -0.91 0.00 0.61 1.20 0.00 0.00 173.24 174.10 2kgl n GLY 84 N 4.09 -3.41 3.60 9.45 0.00 -1.26 -4.44 105.19 113.22 2kgl n GLY 84 Ca 0.17 -1.07 0.00 0.00 0.00 0.00 0.00 46.02 45.12 2kgl n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kgl s ASN 85 N -3.02 -0.29 -0.95 1.61 3.84 -1.26 -4.56 114.94 110.30 2kgl s ASN 85 Ca 0.00 0.46 -0.24 0.00 0.21 0.00 0.00 52.86 53.29 2kgl s ASN 85 Cb 0.00 1.15 -0.05 0.00 -0.55 0.00 0.00 41.25 41.80 2kgl s ASN 85 CO 0.00 -0.07 1.94 -2.16 -2.79 0.00 0.00 177.10 174.02 2kgl s PRO 86 N 1.34 2.56 0.00 0.43 0.04 -1.26 -4.38 135.00 133.72 2kgl s PRO 86 Ca -0.08 -0.43 0.00 0.00 0.04 0.00 0.00 61.00 60.54 2kgl s PRO 86 Cb -0.03 -5.09 0.00 0.00 0.04 0.00 0.00 34.50 29.42 2kgl s PRO 86 CO -0.13 -3.46 0.64 0.25 0.04 0.00 0.00 177.00 174.35 2kgl n THR 87 N 7.86 0.00 -0.13 1.26 -2.24 -1.26 -4.80 114.28 114.97 2kgl n THR 87 Ca 0.41 -0.01 -0.04 0.00 -2.27 0.00 0.00 64.05 62.14 2kgl n THR 87 Cb 0.47 0.14 0.04 0.00 -2.10 0.00 0.00 70.33 68.88 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.57 0.00 0.00 175.07 175.55 2kgl h GLU 88 N 0.01 0.17 -0.03 -0.78 4.11 -1.91 0.27 114.58 116.42 2kgl h GLU 88 Ca -0.01 -0.01 -0.10 0.00 0.07 0.00 0.00 59.36 59.31 2kgl h GLU 88 Cb 1.12 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 30.31 2kgl h GLU 88 CO -0.00 0.12 -0.45 0.87 0.07 0.00 0.00 179.01 179.61 2kgl h LYS 89 N 0.18 0.06 -0.20 1.06 1.57 -1.98 -3.09 116.57 114.17 2kgl h LYS 89 Ca 0.20 -0.03 -0.09 0.00 -1.87 0.00 0.00 60.65 58.86 2kgl h LYS 89 Cb 0.26 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.57 2kgl h LYS 89 CO -0.29 0.51 -0.24 0.93 -0.57 0.00 0.00 179.45 179.78 2kgl h GLU 90 N 0.05 0.52 -0.46 3.15 4.39 -1.56 -3.13 114.58 117.54 2kgl h GLU 90 Ca 0.00 -0.29 0.09 0.00 0.34 0.00 0.00 59.36 59.50 2kgl h GLU 90 Cb 0.83 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.41 2kgl h GLU 90 CO 0.06 0.88 -0.13 1.79 -1.16 0.00 0.00 179.01 180.45 2kgl h THR 91 N 0.19 0.52 -0.09 1.13 1.35 -0.46 0.28 112.91 115.83 2kgl h THR 91 Ca 0.03 0.00 0.03 0.00 -0.55 0.00 0.00 66.41 65.91 2kgl h THR 91 Cb 0.81 0.52 -0.00 0.00 -1.73 0.00 0.00 68.15 67.74 2kgl h THR 91 CO 0.06 0.00 0.07 -0.33 -0.25 0.00 0.00 175.52 175.07 2kgl h GLU 92 N -0.02 0.00 0.00 4.72 5.08 -1.58 -0.03 114.58 122.76 2kgl h GLU 92 Ca 0.22 0.00 -0.10 0.00 -1.00 0.00 0.00 59.36 58.49 2kgl h GLU 92 Cb 0.35 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 2kgl h GLU 92 CO -0.48 0.00 -0.52 0.93 -1.00 0.00 0.00 179.01 177.94 2kgl h GLU 93 N 0.00 0.00 -0.18 2.33 5.08 -0.50 -3.35 114.58 117.96 2kgl h GLU 93 Ca 0.04 0.00 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 2kgl h GLU 93 Cb 0.18 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.36 2kgl h GLU 93 CO -0.00 0.42 -0.41 0.82 -1.00 0.00 0.00 179.01 178.84 2kgl h ILE 94 N 0.00 0.16 -0.98 3.13 1.08 0.11 -0.45 117.51 120.56 2kgl h ILE 94 Ca -0.02 0.00 0.21 0.00 -0.39 0.00 0.00 64.86 64.66 2kgl h ILE 94 Cb 1.35 0.16 -0.11 0.00 -3.07 0.00 0.00 36.82 35.15 2kgl h ILE 94 CO 0.06 0.00 0.56 0.00 -0.69 0.00 0.00 178.15 178.08 2kgl h THR 95 N -0.44 0.63 -0.14 -0.27 1.03 -1.69 0.39 112.91 112.41 2kgl h THR 95 Ca 0.09 -0.22 0.00 0.00 -0.01 0.00 0.00 66.41 66.27 2kgl h THR 95 Cb 0.61 -0.08 -0.01 0.00 -1.07 0.00 0.00 68.15 67.60 2kgl h THR 95 CO -0.42 0.12 0.09 0.28 -0.01 0.00 0.00 175.52 175.57 2kgl h SER 96 N 0.65 0.16 0.61 0.00 0.02 -1.29 -2.53 113.55 111.18 2kgl h SER 96 Ca 0.59 -0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.41 2kgl h SER 96 Cb 0.99 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.48 2kgl h SER 96 CO -0.43 0.14 -0.49 -0.07 -1.14 0.00 0.00 176.83 174.84 2kgl h LEU 97 N 0.17 0.00 -1.03 5.07 3.38 -0.23 -3.10 115.31 119.57 2kgl h LEU 97 Ca 0.05 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.23 2kgl h LEU 97 Cb 0.01 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 40.64 2kgl h LEU 97 CO -0.01 0.49 0.61 -0.25 0.09 0.00 0.00 178.44 179.37 2kgl h TRP 98 N 0.00 1.03 -0.92 1.13 2.91 0.15 0.25 115.95 120.50 2kgl h TRP 98 Ca -0.00 0.03 0.24 0.00 1.13 0.00 0.00 58.89 60.29 2kgl h TRP 98 Cb 0.93 -0.30 -0.06 0.00 -0.51 0.00 0.00 29.16 29.22 2kgl h TRP 98 CO 0.00 0.17 0.63 -0.56 -1.03 0.00 0.00 178.44 177.65 2kgl h GLN 99 N 0.68 0.22 0.20 2.65 3.07 -1.51 0.27 115.11 120.70 2kgl h GLN 99 Ca 0.60 -0.01 -0.01 0.00 0.09 0.00 0.00 58.65 59.32 2kgl h GLN 99 Cb 1.04 -0.05 0.00 0.00 0.08 0.00 0.00 27.48 28.55 2kgl h GLN 99 CO -0.41 0.15 -0.10 0.78 0.09 0.00 0.00 178.83 179.34 2kgl h GLY 100 N 0.23 -0.28 1.72 0.06 0.00 -0.69 -3.25 103.07 100.85 2kgl h GLY 100 Ca 0.47 0.10 -0.05 0.00 0.00 0.00 0.00 47.33 47.85 2kgl h GLY 100 CO -0.12 -0.10 -0.08 1.48 0.00 0.00 0.00 176.54 177.72 2kgl h SER 101 N -0.82 0.32 -0.97 0.19 4.64 -1.33 -2.61 113.55 112.96 2kgl h SER 101 Ca -0.03 -0.06 0.19 0.00 -0.47 0.00 0.00 61.79 61.41 2kgl h SER 101 Cb 0.52 -0.08 -0.09 0.00 -0.31 0.00 0.00 62.40 62.43 2kgl h SER 101 CO 0.05 0.45 0.61 0.25 -0.87 0.00 0.00 176.83 177.32 2kgl h LEU 102 N 0.33 0.68 -1.16 5.97 5.85 -0.53 0.87 115.31 127.32 2kgl h LEU 102 Ca 0.07 0.07 0.13 0.00 0.84 0.00 0.00 57.88 58.99 2kgl h LEU 102 Cb 0.36 -0.05 -0.08 0.00 0.37 0.00 0.00 40.66 41.26 2kgl h LEU 102 CO 0.02 0.27 0.60 0.15 -0.34 0.00 0.00 178.44 179.13 2kgl h PHE 103 N 0.68 0.97 -0.00 1.25 3.04 -1.50 0.24 116.94 121.63 2kgl h PHE 103 Ca 0.53 0.03 0.00 0.00 3.98 0.00 0.00 57.97 62.51 2kgl h PHE 103 Cb 0.94 -0.31 -0.00 0.00 2.56 0.00 0.00 35.95 39.14 2kgl h PHE 103 CO -0.00 0.38 0.01 -0.91 -2.02 0.00 0.00 178.31 175.77 2kgl h ASN 104 N 0.84 0.00 -0.74 0.41 -0.26 -0.97 -3.44 115.58 111.42 2kgl h ASN 104 Ca 0.47 0.00 -0.32 0.00 -0.56 0.00 0.00 56.30 55.89 2kgl h ASN 104 Cb 0.59 0.00 -0.13 0.00 -1.06 0.00 0.00 38.32 37.72 2kgl h ASN 104 CO -0.23 0.00 -0.29 0.00 -1.06 0.00 0.00 177.43 175.85 2kgl n ALA 105 N -2.09 -0.24 -2.18 -0.83 0.00 0.86 -4.51 120.51 111.52 2kgl n ALA 105 Ca -0.03 0.25 0.02 0.00 0.00 0.00 0.00 53.44 53.69 2kgl n ALA 105 Cb 0.08 -1.69 0.02 0.00 0.00 0.00 0.00 19.45 17.86 2kgl n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kgl n ASN 106 N -0.63 0.55 -4.50 0.00 3.02 -1.26 -4.48 115.26 107.95 2kgl n ASN 106 Ca -0.16 -2.08 -0.37 0.00 -0.03 0.00 0.00 54.58 51.95 2kgl n ASN 106 Cb 0.53 -0.26 0.06 0.00 -0.61 0.00 0.00 39.78 39.50 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kgl n TYR 107 N 0.15 -0.39 -3.74 3.10 0.18 -1.26 -3.02 117.16 112.18 2kgl n TYR 107 Ca 0.04 0.39 -0.15 0.00 1.88 0.00 0.00 57.90 60.06 2kgl n TYR 107 Cb 0.90 -1.98 -0.16 0.00 -0.38 0.00 0.00 39.34 37.72 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -2.08 0.00 0.00 176.86 175.12 2kgl s ASP 108 N -1.36 0.23 -0.21 9.48 -1.08 -1.14 -4.81 116.67 117.78 2kgl s ASP 108 Ca 0.69 0.15 -0.15 0.00 -0.52 0.00 0.00 52.55 52.72 2kgl s ASP 108 Cb -0.39 0.03 0.06 0.00 -1.46 0.00 0.00 42.92 41.16 2kgl s ASP 108 CO 0.54 -0.16 0.53 0.54 0.52 0.00 0.00 175.17 177.14 2kgl s VAL 109 N 1.37 -0.01 -0.01 1.11 0.11 -1.26 -2.47 120.40 119.24 2kgl s VAL 109 Ca -0.06 0.03 0.04 0.00 -2.93 0.00 0.00 61.98 59.06 2kgl s VAL 109 Cb -0.12 -0.76 -0.01 0.00 -1.53 0.00 0.00 36.38 33.96 2kgl s VAL 109 CO -0.04 0.01 -0.13 -1.58 -3.33 0.00 0.00 175.10 170.03 2kgl s GLN 110 N 0.94 1.11 -0.13 1.54 0.74 -0.58 -4.40 119.66 118.88 2kgl s GLN 110 Ca -0.05 -0.46 0.02 0.00 0.05 0.00 0.00 55.36 54.91 2kgl s GLN 110 Cb -0.06 -1.06 0.02 0.00 1.10 0.00 0.00 33.01 33.01 2kgl s GLN 110 CO -0.08 0.26 -0.17 -0.98 -0.55 0.00 0.00 175.29 173.77 2kgl s ARG 111 N -0.23 2.50 -0.08 1.67 1.70 -0.06 -3.13 118.95 121.33 2kgl s ARG 111 Ca 0.04 -0.66 -0.05 0.00 -0.47 0.00 0.00 55.73 54.59 2kgl s ARG 111 Cb -0.06 -2.12 0.03 0.00 -0.57 0.00 0.00 34.95 32.23 2kgl s ARG 111 CO -0.00 -0.09 0.19 0.12 -1.08 0.00 0.00 175.30 174.44 2kgl s PHE 112 N 1.05 -0.22 -0.02 5.89 5.36 -1.18 -4.40 117.98 124.46 2kgl s PHE 112 Ca -0.04 0.56 0.03 0.00 -0.96 0.00 0.00 56.93 56.53 2kgl s PHE 112 Cb -0.15 0.03 -0.00 0.00 -0.34 0.00 0.00 43.02 42.56 2kgl s PHE 112 CO -0.04 -0.15 -0.12 -1.50 -1.46 0.00 0.00 175.22 171.95 2kgl s ILE 113 N 0.63 1.03 -0.02 3.12 2.07 -1.26 -3.02 121.20 123.75 2kgl s ILE 113 Ca -0.04 -0.51 -0.05 0.00 -1.41 0.00 0.00 60.65 58.63 2kgl s ILE 113 Cb -0.06 -0.88 0.00 0.00 0.13 0.00 0.00 42.46 41.65 2kgl s ILE 113 CO -0.03 0.30 0.11 -0.69 -1.91 0.00 0.00 174.94 172.72 2kgl s VAL 114 N -0.01 0.05 0.56 4.00 1.01 -0.73 -5.02 120.40 120.25 2kgl s VAL 114 Ca -0.01 -0.38 0.30 0.00 0.00 0.00 0.00 61.98 61.89 2kgl s VAL 114 Cb -0.08 -0.29 0.43 0.00 0.00 0.00 0.00 36.38 36.44 2kgl s VAL 114 CO 0.01 -0.21 1.88 1.23 0.00 0.00 0.00 175.10 178.01 2kgl h GLY 115 N 5.14 0.00 0.25 4.51 0.00 -2.05 -2.24 103.07 108.68 2kgl h GLY 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2kgl h GLY 115 CO 0.42 0.00 -0.10 1.76 0.00 0.00 0.00 176.54 178.61 2kgl h SER 116 N 0.00 -0.24 -1.40 0.19 0.02 -2.04 -3.50 113.55 106.58 2kgl h SER 116 Ca 0.32 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 61.15 2kgl h SER 116 Cb 1.45 0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.06 2kgl h SER 116 CO -0.00 0.26 0.00 -0.90 -1.14 0.00 0.00 176.83 175.05 2kgl n ASP 117 N -4.96 -0.11 -4.06 3.07 5.75 -0.84 -4.48 116.55 110.93 2kgl n ASP 117 Ca -0.05 -1.10 -0.22 0.00 -0.01 0.00 0.00 54.79 53.40 2kgl n ASP 117 Cb 0.17 0.19 -0.16 0.00 -1.03 0.00 0.00 41.12 40.30 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 2kgl s ARG 118 N -2.03 1.25 -0.11 0.11 0.52 -1.19 -1.78 118.95 115.72 2kgl s ARG 118 Ca 0.01 -0.42 -0.00 0.00 -0.52 0.00 0.00 55.73 54.79 2kgl s ARG 118 Cb -0.00 -1.13 0.03 0.00 0.52 0.00 0.00 34.95 34.36 2kgl s ARG 118 CO 0.01 0.18 -0.07 0.00 0.02 0.00 0.00 175.30 175.43 2kgl s ALA 119 N 0.09 1.31 -0.01 2.13 0.00 -1.17 -0.33 121.76 123.78 2kgl s ALA 119 Ca -0.02 -0.54 0.00 0.00 0.00 0.00 0.00 51.96 51.40 2kgl s ALA 119 Cb -0.09 -0.91 0.01 0.00 0.00 0.00 0.00 23.12 22.12 2kgl s ALA 119 CO 0.01 -0.43 -0.01 -1.50 0.00 0.00 0.00 175.76 173.84 2kgl s ILE 120 N 1.72 0.08 -0.03 0.00 2.07 -0.90 -3.09 121.20 121.06 2kgl s ILE 120 Ca 0.05 -0.00 0.03 0.00 -1.41 0.00 0.00 60.65 59.32 2kgl s ILE 120 Cb -0.13 -0.11 0.00 0.00 0.13 0.00 0.00 42.46 42.36 2kgl s ILE 120 CO -0.08 0.05 -0.12 0.12 -1.91 0.00 0.00 174.94 173.00 2kgl s PHE 121 N 0.22 1.23 -0.17 3.50 2.19 -1.18 -2.97 117.98 120.79 2kgl s PHE 121 Ca -0.02 -0.33 -0.06 0.00 0.33 0.00 0.00 56.93 56.85 2kgl s PHE 121 Cb -0.03 -0.86 0.08 0.00 -1.31 0.00 0.00 43.02 40.90 2kgl s PHE 121 CO -0.01 -0.13 0.36 0.00 1.83 0.00 0.00 175.22 177.27 2kgl s MET 122 N 0.17 0.26 -0.00 10.12 0.23 -1.07 -1.52 119.30 127.48 2kgl s MET 122 Ca -0.04 0.92 -0.10 0.00 -1.03 0.00 0.00 55.69 55.44 2kgl s MET 122 Cb -0.10 0.18 0.01 0.00 -1.53 0.00 0.00 34.83 33.39 2kgl s MET 122 CO 0.01 -0.27 0.20 -1.17 -2.03 0.00 0.00 175.02 171.76 2kgl s LEU 123 N 2.54 1.31 0.46 0.18 2.96 -1.03 -2.15 118.68 122.94 2kgl s LEU 123 Ca -0.00 -0.11 0.15 0.00 -0.22 0.00 0.00 54.13 53.95 2kgl s LEU 123 Cb -0.12 0.89 1.10 0.00 0.50 0.00 0.00 46.19 48.56 2kgl s LEU 123 CO -0.11 -0.40 2.00 0.08 -1.32 0.00 0.00 176.35 176.60 2kgl h ARG 124 N 4.10 0.30 0.00 1.98 0.11 -1.86 -3.13 114.38 115.88 2kgl h ARG 124 Ca -0.30 -0.02 -0.12 0.00 0.10 0.00 0.00 59.98 59.63 2kgl h ARG 124 Cb 1.19 -0.07 0.06 0.00 1.11 0.00 0.00 29.97 32.26 2kgl h ARG 124 CO 0.41 0.20 0.02 -0.25 0.10 0.00 0.00 179.97 180.45 2kgl n ASP 125 N -4.46 -1.58 0.00 0.08 8.00 -1.26 -4.14 116.55 113.19 2kgl n ASP 125 Ca 0.08 -0.63 0.00 0.00 0.71 0.00 0.00 54.79 54.95 2kgl n ASP 125 Cb 0.36 -0.31 0.00 0.00 -0.02 0.00 0.00 41.12 41.15 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgl n GLY 126 N -0.14 -0.01 0.33 0.44 0.00 -1.17 -2.90 105.19 101.74 2kgl n GLY 126 Ca 0.05 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.05 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 0.89 0.28 1.61 0.02 -1.96 -1.90 113.55 112.49 2kgl h SER 127 Ca 0.00 -0.09 -0.06 0.00 -0.84 0.00 0.00 61.79 60.80 2kgl h SER 127 Cb 0.00 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.30 2kgl h SER 127 CO 0.00 0.75 -0.27 0.22 -1.14 0.00 0.00 176.83 176.39 2kgl h TYR 128 N 0.99 0.00 -0.30 3.45 5.03 -1.98 -2.49 116.97 121.67 2kgl h TYR 128 Ca 0.24 0.00 -0.08 0.00 2.58 0.00 0.00 58.73 61.47 2kgl h TYR 128 Cb 0.09 0.00 -0.02 0.00 1.55 0.00 0.00 36.73 38.35 2kgl h TYR 128 CO 0.01 0.27 -0.15 0.00 -1.32 0.00 0.00 178.16 176.97 2kgl h ALA 129 N 1.73 1.18 -0.36 1.82 0.00 -1.64 -2.12 119.26 119.86 2kgl h ALA 129 Ca -0.00 -0.29 -0.09 0.00 0.00 0.00 0.00 54.91 54.52 2kgl h ALA 129 Cb 0.48 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 2kgl h ALA 129 CO 0.04 0.52 -0.16 2.35 0.00 0.00 0.00 179.25 182.00 2kgl h TRP 130 N 0.48 0.73 -0.13 0.00 -0.00 -1.35 0.26 115.95 115.95 2kgl h TRP 130 Ca 0.08 -0.14 -0.08 0.00 -0.00 0.00 0.00 58.89 58.76 2kgl h TRP 130 Cb 0.55 -0.19 -0.00 0.00 -0.00 0.00 0.00 29.16 29.52 2kgl h TRP 130 CO 0.02 0.79 -0.22 0.93 -0.00 0.00 0.00 178.44 179.96 2kgl h GLU 131 N 0.60 0.38 0.21 2.65 5.08 -1.44 -2.69 114.58 119.36 2kgl h GLU 131 Ca 0.10 -0.23 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 2kgl h GLU 131 Cb 0.62 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2kgl h GLU 131 CO 0.04 0.82 -0.10 0.82 -1.00 0.00 0.00 179.01 179.60 2kgl h ILE 132 N -0.02 0.82 -0.98 3.13 1.08 -1.32 -2.95 117.51 117.26 2kgl h ILE 132 Ca 0.01 -0.93 0.28 0.00 -0.39 0.00 0.00 64.86 63.83 2kgl h ILE 132 Cb 0.80 1.30 -0.05 0.00 -3.07 0.00 0.00 36.82 35.80 2kgl h ILE 132 CO 0.05 0.18 0.70 0.07 -0.69 0.00 0.00 178.15 178.46 2kgl h LYS 133 N -0.80 0.06 -0.07 2.37 5.09 -0.59 0.28 116.57 122.91 2kgl h LYS 133 Ca -0.03 -0.00 -0.03 0.00 0.09 0.00 0.00 60.65 60.68 2kgl h LYS 133 Cb 0.51 -0.01 -0.00 0.00 0.10 0.00 0.00 32.23 32.83 2kgl h LYS 133 CO 0.05 0.04 -0.06 -0.44 -2.09 0.00 0.00 179.45 176.95 2kgl h ASP 134 N 0.06 0.17 0.56 7.07 3.32 -1.42 -2.57 116.42 123.62 2kgl h ASP 134 Ca 0.48 -0.46 -0.11 0.00 0.02 0.00 0.00 57.03 56.95 2kgl h ASP 134 Cb 1.80 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 41.28 2kgl h ASP 134 CO -0.04 0.60 -0.54 -0.26 -1.72 0.00 0.00 179.24 177.28 2kgl h PHE 135 N -0.25 0.00 0.85 4.55 0.04 -0.77 -3.12 116.94 118.25 2kgl h PHE 135 Ca 0.01 0.00 -0.04 0.00 2.80 0.00 0.00 57.97 60.74 2kgl h PHE 135 Cb 0.54 0.00 0.01 0.00 2.20 0.00 0.00 35.95 38.70 2kgl h PHE 135 CO 0.08 0.54 -0.41 1.25 -0.60 0.00 0.00 178.31 179.17 2kgl h LEU 136 N 0.00 -0.97 -2.00 1.54 7.12 -0.52 -2.84 115.31 117.65 2kgl h LEU 136 Ca -0.01 0.03 0.24 0.00 0.13 0.00 0.00 57.88 58.28 2kgl h LEU 136 Cb 0.96 0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 41.31 2kgl h LEU 136 CO 0.07 -0.61 0.60 1.62 -0.13 0.00 0.00 178.44 179.99 2kgl h VAL 137 N -1.30 0.57 -0.37 1.05 3.04 -1.52 0.22 116.25 117.95 2kgl h VAL 137 Ca -0.12 0.00 0.11 0.00 -1.01 0.00 0.00 66.70 65.68 2kgl h VAL 137 Cb 0.88 0.58 -0.01 0.00 -2.01 0.00 0.00 31.29 30.72 2kgl h VAL 137 CO 0.19 0.00 0.27 -1.28 -1.01 0.00 0.00 177.57 175.74 2kgl h SER 138 N 0.00 0.00 0.24 3.17 0.87 -1.43 -2.33 113.55 114.07 2kgl h SER 138 Ca 0.39 0.00 -0.01 0.00 -1.23 0.00 0.00 61.79 60.94 2kgl h SER 138 Cb 1.60 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.56 2kgl h SER 138 CO -0.00 0.00 -0.12 1.56 -0.53 0.00 0.00 176.83 177.74 2kgl h GLN 139 N 0.00 -0.32 -2.67 2.24 1.08 -0.60 -3.38 115.11 111.46 2kgl h GLN 139 Ca 0.18 0.02 -0.34 0.00 -1.45 0.00 0.00 58.65 57.06 2kgl h GLN 139 Cb 0.71 0.07 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2kgl h GLN 139 CO -0.00 0.04 -0.45 -3.47 -0.95 0.00 0.00 178.83 174.00 2kgl n ASP 140 N -5.06 -5.08 -2.66 1.46 2.03 -0.88 -4.80 116.55 101.57 2kgl n ASP 140 Ca -0.09 -0.06 -0.03 0.00 0.52 0.00 0.00 54.79 55.13 2kgl n ASP 140 Cb 0.26 -4.13 0.01 0.00 -0.72 0.00 0.00 41.12 36.54 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -1.92 0.00 0.00 177.20 174.14 2kgl n ARG 141 N -2.78 0.16 -3.76 -0.67 0.63 -0.83 -4.82 116.66 104.59 2kgl n ARG 141 Ca -0.18 -0.69 -0.13 0.00 -0.92 0.00 0.00 57.85 55.93 2kgl n ARG 141 Cb 0.64 -0.03 -0.10 0.00 0.45 0.00 0.00 32.46 33.43 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 -0.59 0.11 -0.18 0.00 0.00 -1.26 -0.13 121.76 119.70 2kgl s ALA 143 Ca -0.07 0.29 -0.06 0.00 0.00 0.00 0.00 51.96 52.12 2kgl s ALA 143 Cb -0.04 -0.71 0.09 0.00 0.00 0.00 0.00 23.12 22.46 2kgl s ALA 143 CO 0.02 -0.55 0.38 -1.21 0.00 0.00 0.00 175.76 174.41 2kgl s GLU 144 N 2.21 0.28 -0.03 0.00 2.02 0.46 -3.92 118.70 119.72 2kgl s GLU 144 Ca 0.04 0.96 0.04 0.00 0.02 0.00 0.00 54.97 56.03 2kgl s GLU 144 Cb -0.12 0.24 -0.00 0.00 0.10 0.00 0.00 34.13 34.34 2kgl s GLU 144 CO -0.04 -0.26 -0.13 0.14 0.02 0.00 0.00 175.26 174.98 2kgl s VAL 145 N 2.57 1.09 -0.18 2.63 -7.23 -1.26 -0.06 120.40 117.96 2kgl s VAL 145 Ca -0.01 -0.55 0.01 0.00 -1.81 0.00 0.00 61.98 59.62 2kgl s VAL 145 Cb -0.12 -0.94 0.02 0.00 0.56 0.00 0.00 36.38 35.90 2kgl s VAL 145 CO -0.12 0.32 -0.19 0.42 -0.31 0.00 0.00 175.10 175.22 2kgl s THR 146 N -0.03 2.02 -0.18 5.32 -4.23 0.85 -4.47 115.64 114.92 2kgl s THR 146 Ca -0.00 -0.94 -0.06 0.00 -1.18 0.00 0.00 61.69 59.50 2kgl s THR 146 Cb -0.08 -1.84 0.08 0.00 1.34 0.00 0.00 72.50 72.00 2kgl s THR 146 CO 0.01 0.51 0.37 -0.22 -0.54 0.00 0.00 174.62 174.74 2kgl s LEU 147 N 1.30 -0.53 -0.28 4.79 1.98 -1.26 -3.32 118.68 121.36 2kgl s LEU 147 Ca 0.04 0.85 -0.19 0.00 -2.89 0.00 0.00 54.13 51.94 2kgl s LEU 147 Cb -0.13 1.13 0.08 0.00 0.66 0.00 0.00 46.19 47.93 2kgl s LEU 147 CO -0.12 -0.24 0.73 -0.70 -1.89 0.00 0.00 176.35 174.13 2kgl s GLU 148 N 2.55 0.72 -1.04 1.98 2.56 -1.26 -4.89 118.70 119.32 2kgl s GLU 148 Ca -0.00 1.11 -0.07 0.00 0.00 0.00 0.00 54.97 56.00 2kgl s GLU 148 Cb -0.12 0.22 0.26 0.00 2.00 0.00 0.00 34.13 36.49 2kgl s GLU 148 CO -0.11 -0.13 1.01 0.20 -0.56 0.00 0.00 175.26 175.67 2kgl s GLY 149 N 1.21 3.19 0.00 -1.50 0.00 -1.26 -4.72 107.32 104.23 2kgl s GLY 149 Ca -0.07 -3.84 0.00 0.00 0.00 0.00 0.00 44.72 40.81 2kgl s GLY 149 CO -0.13 1.29 0.00 -1.06 0.00 0.00 0.00 173.10 173.20 2kgl n GLN 150 N 2.59 0.00 0.00 2.90 1.13 -1.26 -5.00 117.38 117.73 2kgl n GLN 150 Ca 0.23 0.00 0.00 0.00 -1.94 0.00 0.00 57.00 55.29 2kgl n GLN 150 Cb 0.39 -0.20 0.00 0.00 0.11 0.00 0.00 30.24 30.53 2kgl n GLN 150 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 2kgl n MET 151 N -1.90 0.00 -3.12 -1.09 0.00 -1.26 -4.99 117.12 104.76 2kgl n MET 151 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 57.70 57.51 2kgl n MET 151 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 33.22 33.17 2kgl n MET 151 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 2kgl n TYR 152 N 0.00 -1.71 -1.14 3.17 4.02 0.82 -5.01 117.16 117.32 2kgl n TYR 152 Ca 0.00 -2.77 -0.29 0.00 -0.01 0.00 0.00 57.90 54.83 2kgl n TYR 152 Cb 0.00 0.53 0.19 0.00 -0.02 0.00 0.00 39.34 40.04 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 2kgl s PRO 153 N -0.02 -0.03 -0.00 -0.72 0.04 0.85 -3.10 135.00 132.03 2kgl s PRO 153 Ca 0.33 0.36 0.02 0.00 0.04 0.00 0.00 61.00 61.75 2kgl s PRO 153 Cb 0.09 -1.70 -0.02 0.00 0.04 0.00 0.00 34.50 32.92 2kgl s PRO 153 CO -0.15 -3.00 0.06 0.41 0.04 0.00 0.00 177.00 174.35 2kgl n GLY 154 N -1.03 0.69 0.33 0.56 0.00 -1.26 -3.78 105.19 100.69 2kgl n GLY 154 Ca 0.07 -0.04 0.11 0.00 0.00 0.00 0.00 46.02 46.16 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 0.00 0.62 -2.07 1.61 2.10 -1.92 -3.37 116.57 113.54 2kgl h LYS 155 Ca 0.00 -0.04 -0.33 0.00 -2.00 0.00 0.00 60.65 58.29 2kgl h LYS 155 Cb 0.04 -0.14 -0.09 0.00 -0.90 0.00 0.00 32.23 31.15 2kgl h LYS 155 CO 0.00 0.41 -0.34 0.41 -2.00 0.00 0.00 179.45 177.93 2kgl n GLY 156 N -1.33 0.77 1.13 0.07 0.00 -1.26 -4.49 105.19 100.08 2kgl n GLY 156 Ca 0.21 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.23 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 -0.52 -0.02 0.42 -0.02 0.00 -1.26 -5.07 105.19 98.71 2kgl n GLY 157 Ca -0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.85 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 2.94 0.65 0.53 -0.02 0.00 -1.26 -5.03 105.19 103.00 2kgl n GLY 158 Ca 0.00 -0.36 -0.20 0.00 0.00 0.00 0.00 46.02 45.46 2kgl n GLY 158 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 159 N 0.00 -1.22 -6.93 1.61 0.87 -1.96 -3.46 113.55 102.46 2kgl h SER 159 Ca 0.00 0.06 -0.57 0.00 -1.23 0.00 0.00 61.79 60.05 2kgl h SER 159 Cb 0.35 0.34 -0.20 0.00 -0.44 0.00 0.00 62.40 62.45 2kgl h SER 159 CO 0.00 -0.79 -0.89 2.29 -0.53 0.00 0.00 176.83 176.91 2kgl n LYS 160 N -5.65 -0.94 -0.07 2.24 2.85 -1.26 -4.83 118.16 110.50 2kgl n LYS 160 Ca -0.16 0.08 -0.22 0.00 -1.05 0.00 0.00 58.31 56.97 2kgl n LYS 160 Cb 0.52 -3.34 -0.12 0.00 -0.65 0.00 0.00 35.03 31.44 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 177.40 177.74 2kgl n GLU 161 N -4.30 0.63 -3.55 -1.58 -0.58 -1.26 -4.94 120.64 105.05 2kgl n GLU 161 Ca -0.29 0.47 -0.25 0.00 -0.42 0.00 0.00 57.16 56.67 2kgl n GLU 161 Cb 0.64 -1.73 0.05 0.00 -0.57 0.00 0.00 31.44 29.83 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 -4.13 -2.08 -3.66 3.49 4.81 -1.26 -5.01 118.16 110.33 2kgl n LYS 162 Ca -0.33 0.61 -0.11 0.00 -0.87 0.00 0.00 58.31 57.62 2kgl n LYS 162 Cb 0.80 -4.81 -0.11 0.00 0.02 0.00 0.00 35.03 30.93 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 1.17 0.00 0.00 177.40 179.78 2kgl s ASN 163 N -3.58 -0.00 0.23 3.14 3.84 -1.26 -5.08 114.94 112.24 2kgl s ASN 163 Ca 0.40 0.83 -0.24 0.00 0.21 0.00 0.00 52.86 54.05 2kgl s ASN 163 Cb -0.11 1.08 -0.09 0.00 -0.55 0.00 0.00 41.25 41.58 2kgl s ASN 163 CO 0.82 -0.23 0.82 -1.59 -2.79 0.00 0.00 177.10 174.12 2kgl s LYS 164 N 2.53 4.51 0.13 0.43 -2.85 -1.26 -4.51 119.74 118.71 2kgl s LYS 164 Ca -0.01 1.15 0.03 0.00 -1.00 0.00 0.00 55.97 56.14 2kgl s LYS 164 Cb -0.12 -3.02 -0.04 0.00 -2.06 0.00 0.00 37.83 32.59 2kgl s LYS 164 CO -0.11 0.43 -0.07 0.99 0.10 0.00 0.00 175.35 176.69 2kgl s THR 165 N -1.39 0.92 0.04 3.79 2.01 -1.26 -5.05 115.64 114.70 2kgl s THR 165 Ca 0.42 -2.00 -0.32 0.00 0.31 0.00 0.00 61.69 60.10 2kgl s THR 165 Cb -0.20 -1.83 -0.18 0.00 0.01 0.00 0.00 72.50 70.30 2kgl s THR 165 CO 0.25 -0.76 1.36 0.11 -0.69 0.00 0.00 174.62 174.89 2kgl h LYS 166 N 2.84 -1.12 0.00 4.92 6.56 -2.03 -2.93 116.57 124.81 2kgl h LYS 166 Ca -0.36 0.08 0.00 0.00 -1.06 0.00 0.00 60.65 59.31 2kgl h LYS 166 Cb 1.18 0.25 0.00 0.00 -0.57 0.00 0.00 32.23 33.10 2kgl h LYS 166 CO 0.64 -0.74 0.00 -0.35 -2.06 0.00 0.00 179.45 176.94 2kgl n PRO 167 N -5.43 0.02 0.16 3.15 -0.04 -1.26 -3.57 135.00 128.03 2kgl n PRO 167 Ca -0.14 0.27 -0.17 0.00 -0.04 0.00 0.00 63.50 63.42 2kgl n PRO 167 Cb 0.46 -1.53 -0.10 0.00 -0.04 0.00 0.00 33.50 32.28 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 -0.79 0.00 0.54 4.57 -1.87 0.24 114.58 117.27 2kgl h GLU 168 Ca 0.00 0.05 -0.17 0.00 -1.18 0.00 0.00 59.36 58.06 2kgl h GLU 168 Cb 0.25 0.18 -0.02 0.00 -0.16 0.00 0.00 28.75 29.00 2kgl h GLU 168 CO 0.00 -0.53 -0.81 1.57 -1.18 0.00 0.00 179.01 178.07 2kgl h LYS 169 N -0.82 0.00 -0.46 1.92 2.10 -1.69 -3.12 116.57 114.50 2kgl h LYS 169 Ca -0.02 -0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kgl h LYS 169 Cb 0.79 0.00 -0.02 0.00 -0.90 0.00 0.00 32.23 32.10 2kgl h LYS 169 CO -0.24 0.81 0.30 0.00 -2.00 0.00 0.00 179.45 178.32 2kgl h ALA 170 N 1.19 0.58 -0.58 0.07 0.00 -1.52 0.11 119.26 119.12 2kgl h ALA 170 Ca -0.01 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 2kgl h ALA 170 Cb 1.43 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 19.01 2kgl h ALA 170 CO 0.10 0.04 0.01 0.87 0.00 0.00 0.00 179.25 180.28 2kgl h LYS 171 N 0.62 1.02 -0.04 0.00 6.56 -0.58 0.91 116.57 125.07 2kgl h LYS 171 Ca 0.17 -0.32 -0.09 0.00 -1.06 0.00 0.00 60.65 59.35 2kgl h LYS 171 Cb -0.06 -0.10 -0.01 0.00 -0.57 0.00 0.00 32.23 31.49 2kgl h LYS 171 CO -0.04 1.00 -0.39 0.87 -2.06 0.00 0.00 179.45 178.84 2kgl h LYS 172 N 0.91 0.08 0.19 3.15 1.57 -1.42 -0.10 116.57 120.96 2kgl h LYS 172 Ca 0.17 -0.03 -0.31 0.00 -1.87 0.00 0.00 60.65 58.61 2kgl h LYS 172 Cb 0.53 -0.00 0.02 0.00 0.08 0.00 0.00 32.23 32.86 2kgl h LYS 172 CO 0.03 0.46 -1.36 0.87 -0.57 0.00 0.00 179.45 178.87 2kgl h LYS 173 N 0.07 0.41 0.39 3.15 6.56 -0.49 -3.37 116.57 123.29 2kgl h LYS 173 Ca 0.01 -0.70 -0.02 0.00 -1.06 0.00 0.00 60.65 58.88 2kgl h LYS 173 Cb 0.72 0.26 0.00 0.00 -0.57 0.00 0.00 32.23 32.64 2kgl h LYS 173 CO 0.05 1.33 -0.19 0.93 -2.06 0.00 0.00 179.45 179.52 2kgl h GLU 174 N 0.11 -0.50 0.00 3.15 3.07 -0.68 -3.44 114.58 116.28 2kgl h GLU 174 Ca -0.20 0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.70 2kgl h GLU 174 Cb 2.07 0.11 0.00 0.00 -0.84 0.00 0.00 28.75 30.10 2kgl h GLU 174 CO 0.24 -0.34 0.00 0.41 -1.40 0.00 0.00 179.01 177.92 2kgl n GLY 175 N 0.46 2.62 0.31 -3.84 0.00 -0.06 -3.68 105.19 101.00 2kgl n GLY 175 Ca -0.06 -0.56 -0.11 0.00 0.00 0.00 0.00 46.02 45.28 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 -0.08 1.61 3.32 -1.90 -2.24 116.42 116.50 2kgl h ASP 176 Ca 0.00 0.02 -0.03 0.00 0.02 0.00 0.00 57.03 57.04 2kgl h ASP 176 Cb 0.00 0.16 -0.00 0.00 0.22 0.00 0.00 39.33 39.71 2kgl h ASP 176 CO 0.00 -0.25 -0.08 1.55 -1.72 0.00 0.00 179.24 178.74 2kgl h PRO 177 N -1.15 0.20 -2.50 3.56 0.13 -1.97 -3.36 132.00 126.92 2kgl h PRO 177 Ca -0.08 -0.11 -0.63 0.00 -0.87 0.00 0.00 66.00 64.31 2kgl h PRO 177 Cb 0.57 0.00 -0.40 0.00 0.13 0.00 0.00 31.00 31.30 2kgl h PRO 177 CO 0.13 0.63 -0.41 1.17 -0.23 0.00 0.00 178.00 179.29 2kgl n LYS 178 N -4.68 2.63 -2.20 0.86 4.81 -1.26 -5.08 118.16 113.23 2kgl n LYS 178 Ca -0.07 -4.62 -0.35 0.00 -0.87 0.00 0.00 58.31 52.40 2kgl n LYS 178 Cb 0.31 -2.30 0.01 0.00 0.02 0.00 0.00 35.03 33.07 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kgl s PRO 179 N -2.27 3.29 0.00 1.64 0.04 -0.84 -2.93 135.00 133.93 2kgl s PRO 179 Ca 0.36 1.59 0.00 0.00 0.04 0.00 0.00 61.00 62.98 2kgl s PRO 179 Cb 0.09 -2.00 0.00 0.00 0.04 0.00 0.00 34.50 32.63 2kgl s PRO 179 CO -0.03 -0.89 0.00 2.89 0.04 0.00 0.00 177.00 179.00 2kgl n ARG 180 N -1.43 -0.04 0.03 4.56 1.85 -1.26 -4.80 116.66 115.57 2kgl n ARG 180 Ca 0.11 0.01 0.01 0.00 -1.00 0.00 0.00 57.85 56.98 2kgl n ARG 180 Cb 0.51 -3.19 -0.08 0.00 -1.05 0.00 0.00 32.46 28.64 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 2kgl n ALA 181 N 1.00 2.00 -0.30 2.89 0.00 -1.15 -4.12 120.51 120.82 2kgl n ALA 181 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 53.44 52.84 2kgl n ALA 181 Cb 0.01 -0.93 0.07 0.00 0.00 0.00 0.00 19.45 18.60 2kgl n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kgl h SER 182 N 0.00 1.12 -0.46 0.00 4.64 -1.75 -1.42 113.55 115.67 2kgl h SER 182 Ca -0.16 -0.16 0.05 0.00 -0.47 0.00 0.00 61.79 61.05 2kgl h SER 182 Cb 1.54 -0.29 -0.05 0.00 -0.31 0.00 0.00 62.40 63.30 2kgl h SER 182 CO 0.04 0.96 0.20 0.11 -0.87 0.00 0.00 176.83 177.27 2kgl h LYS 183 N 1.20 0.39 0.39 4.77 1.79 -1.86 0.24 116.57 123.48 2kgl h LYS 183 Ca 0.28 -0.02 -0.02 0.00 -2.18 0.00 0.00 60.65 58.71 2kgl h LYS 183 Cb 0.17 -0.09 0.00 0.00 -1.58 0.00 0.00 32.23 30.74 2kgl h LYS 183 CO -0.03 0.26 -0.19 0.93 -1.08 0.00 0.00 179.45 179.34 2kgl h GLU 184 N 0.40 -0.51 -1.00 3.15 4.39 -1.68 0.15 114.58 119.49 2kgl h GLU 184 Ca 0.21 0.03 0.16 0.00 0.34 0.00 0.00 59.36 60.11 2kgl h GLU 184 Cb 0.16 0.12 -0.10 0.00 -0.10 0.00 0.00 28.75 28.83 2kgl h GLU 184 CO -0.18 -0.20 0.62 -0.44 -1.16 0.00 0.00 179.01 177.65 2kgl h ASP 185 N -0.89 0.83 -0.09 1.42 3.32 -1.15 -0.80 116.42 119.06 2kgl h ASP 185 Ca -0.05 0.08 -0.23 0.00 0.02 0.00 0.00 57.03 56.85 2kgl h ASP 185 Cb 0.55 -0.08 0.01 0.00 0.22 0.00 0.00 39.33 40.03 2kgl h ASP 185 CO 0.09 0.36 -0.81 -1.13 -1.72 0.00 0.00 179.24 176.03 2kgl h ASN 186 N 0.84 0.90 -0.77 6.45 -1.24 -0.49 -3.03 115.58 118.25 2kgl h ASN 186 Ca 0.54 -0.60 0.16 0.00 0.71 0.00 0.00 56.30 57.11 2kgl h ASN 186 Cb 0.75 -0.27 -0.05 0.00 0.73 0.00 0.00 38.32 39.49 2kgl h ASN 186 CO -0.33 1.40 0.52 -0.09 -1.29 0.00 0.00 177.43 177.64 2kgl h ARG 187 N 0.50 0.35 0.00 6.67 2.43 0.77 -3.09 114.38 122.02 2kgl h ARG 187 Ca -0.06 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.09 2kgl h ARG 187 Cb 1.43 -0.08 0.00 0.00 -0.42 0.00 0.00 29.97 30.91 2kgl h ARG 187 CO 0.16 0.23 0.00 0.00 -1.51 0.00 0.00 179.97 178.85 2kgl n ALA 188 N -2.54 -0.16 -0.05 2.80 0.00 -0.91 -4.96 120.51 114.69 2kgl n ALA 188 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 2kgl n ALA 188 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 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 1.03 -0.24 0.04 0.00 0.00 -1.17 -3.44 105.19 101.42 2kgl n GLY 189 Ca 0.00 -1.18 -0.00 0.00 0.00 0.00 0.00 46.02 44.83 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N -0.13 2.01 -2.53 1.61 2.88 -1.26 -1.22 113.62 114.98 2kgl n SER 190 Ca 0.00 -1.02 -0.01 0.00 -1.33 0.00 0.00 58.87 56.51 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 2kgl n ARG 191 N -0.01 -2.89 -2.96 -1.46 0.00 -1.26 -4.13 116.66 103.95 2kgl n ARG 191 Ca -0.00 2.40 -0.21 0.00 -0.00 0.00 0.00 57.85 60.04 2kgl n ARG 191 Cb 0.01 -4.73 0.03 0.00 0.00 0.00 0.00 32.46 27.77 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 0.52 -4.55 0.00 -0.14 0.63 -1.26 -4.79 116.66 107.07 2kgl n ARG 192 Ca 0.01 0.86 0.00 0.00 -0.92 0.00 0.00 57.85 57.80 2kgl n ARG 192 Cb 0.03 -5.60 0.00 0.00 0.45 0.00 0.00 32.46 27.34 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kgl n GLU 193 N -3.81 0.00 -3.01 -0.14 1.02 -1.26 -5.11 120.64 108.33 2kgl n GLU 193 Ca -0.11 0.00 -0.12 0.00 -0.02 0.00 0.00 57.16 56.91 2kgl n GLU 193 Cb 0.62 0.00 0.01 0.00 -0.02 0.00 0.00 31.44 32.05 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 2kgl n ASP 194 N -2.27 -7.24 0.00 1.62 -0.08 -0.35 -4.97 116.55 103.26 2kgl n ASP 194 Ca 0.00 0.60 0.00 0.00 -1.51 0.00 0.00 54.79 53.88 2kgl n ASP 194 Cb 0.00 -4.00 0.00 0.00 2.34 0.00 0.00 41.12 39.46 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 0.12 0.00 0.00 177.20 177.21