#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 7.15 0.10 0.00 -4.77 -1.26 -5.06 116.67 112.83 2kgl s ASP 2 Ca 0.00 1.83 0.02 0.00 -3.30 0.00 0.00 52.55 51.10 2kgl s ASP 2 Cb 0.00 -2.57 -0.04 0.00 -1.09 0.00 0.00 42.92 39.22 2kgl s ASP 2 CO 0.00 -0.20 0.18 0.42 0.70 0.00 0.00 175.17 176.27 2kgl s THR 3 N -1.76 5.01 0.36 2.11 -4.23 -1.26 -5.12 115.64 110.75 2kgl s THR 3 Ca 0.54 -0.65 -0.06 0.00 -1.18 0.00 0.00 61.69 60.34 2kgl s THR 3 Cb -0.17 -3.48 0.09 0.00 1.34 0.00 0.00 72.50 70.28 2kgl s THR 3 CO 0.22 0.05 0.32 -0.81 -0.54 0.00 0.00 174.62 173.86 2kgl n PRO 4 N 0.07 -1.64 0.00 3.99 -0.04 -1.26 -4.80 135.00 131.32 2kgl n PRO 4 Ca -0.07 -0.50 0.00 0.00 -0.04 0.00 0.00 63.50 62.89 2kgl n PRO 4 Cb 0.52 -0.47 0.00 0.00 -0.04 0.00 0.00 33.50 33.51 2kgl n PRO 4 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 5 N 0.35 1.10 0.60 0.55 0.00 -1.26 -5.00 105.19 101.54 2kgl n GLY 5 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.06 2kgl n GLY 5 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 2kgl n GLU 6 N 0.00 0.00 -2.66 1.61 2.13 -1.26 -5.06 120.64 115.39 2kgl n GLU 6 Ca 0.00 0.00 -0.04 0.00 0.66 0.00 0.00 57.16 57.78 2kgl n GLU 6 Cb 0.00 0.00 0.06 0.00 0.27 0.00 0.00 31.44 31.77 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kgl n ALA 7 N -1.81 -3.73 -1.77 4.31 0.00 -1.26 -5.16 120.51 111.09 2kgl n ALA 7 Ca 0.00 -0.10 -0.39 0.00 0.00 0.00 0.00 53.44 52.95 2kgl n ALA 7 Cb 0.00 -3.32 -0.02 0.00 0.00 0.00 0.00 19.45 16.11 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 0.50 3.07 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.57 2kgl s THR 8 Ca 0.25 0.92 -0.12 0.00 -1.21 0.00 0.00 61.69 61.53 2kgl s THR 8 Cb 0.17 -3.52 0.17 0.00 -1.51 0.00 0.00 72.50 67.81 2kgl s THR 8 CO -0.09 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.35 2kgl s PRO 9 N -2.25 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.27 2kgl s PRO 9 Ca 0.56 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 2kgl s PRO 9 Cb -0.32 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2kgl s PRO 9 CO 0.40 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.74 2kgl s PRO 10 N -4.95 0.75 -1.07 0.56 0.04 -1.26 -4.88 135.00 124.19 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 -0.11 0.00 0.04 0.00 0.00 34.50 32.48 2kgl s PRO 10 CO 0.57 -2.54 1.93 -0.35 0.04 0.00 0.00 177.00 176.65 2kgl n PRO 11 N -4.06 1.54 0.15 0.56 -0.04 -1.26 -4.73 135.00 127.16 2kgl n PRO 11 Ca 0.06 -2.30 -0.11 0.00 -0.04 0.00 0.00 63.50 61.11 2kgl n PRO 11 Cb 0.56 -3.52 -0.07 0.00 -0.04 0.00 0.00 33.50 30.43 2kgl n PRO 11 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kgl h ARG 12 N 9.28 -0.42 0.00 0.54 2.47 -2.02 -3.43 114.38 120.81 2kgl h ARG 12 Ca 0.27 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.02 2kgl h ARG 12 Cb 0.87 0.09 0.00 0.00 -1.65 0.00 0.00 29.97 29.28 2kgl h ARG 12 CO 1.41 -0.10 -0.21 1.63 0.56 0.00 0.00 179.97 183.26 2kgl n LYS 13 N -5.09 0.00 -0.13 0.04 4.01 -1.26 -4.88 118.16 110.85 2kgl n LYS 13 Ca -0.08 -0.43 -0.11 0.00 -0.51 0.00 0.00 58.31 57.17 2kgl n LYS 13 Cb 0.26 -0.22 -0.02 0.00 -0.51 0.00 0.00 35.03 34.54 2kgl n LYS 13 CO 0.00 0.00 0.00 1.57 -1.11 0.00 0.00 177.40 177.86 2kgl h LYS 14 N 0.00 0.74 -0.51 1.97 2.10 -1.83 -3.03 116.57 116.01 2kgl h LYS 14 Ca 0.00 -0.29 0.00 0.00 -2.00 0.00 0.00 60.65 58.36 2kgl h LYS 14 Cb 1.17 -0.04 0.00 0.00 -0.90 0.00 0.00 32.23 32.46 2kgl h LYS 14 CO 0.00 0.89 0.00 1.17 -2.00 0.00 0.00 179.45 179.51 2kgl n LYS 15 N -4.35 4.04 -0.04 0.07 0.00 -1.26 -2.80 118.16 113.83 2kgl n LYS 15 Ca -0.02 -2.97 -0.22 0.00 0.00 0.00 0.00 58.31 55.11 2kgl n LYS 15 Cb 0.36 -2.02 -0.13 0.00 0.00 0.00 0.00 35.03 33.24 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.40 177.15 2kgl n ASP 16 N 0.50 2.05 -2.52 3.14 9.92 -1.15 -5.07 116.55 123.43 2kgl n ASP 16 Ca 0.25 0.23 -0.05 0.00 -0.53 0.00 0.00 54.79 54.68 2kgl n ASP 16 Cb 1.01 -0.84 -0.04 0.00 -0.64 0.00 0.00 41.12 40.60 2kgl n ASP 16 CO 0.00 0.00 0.00 -0.38 0.13 0.00 0.00 177.20 176.95 2kgl n ILE 17 N -3.69-12.67 -1.66 0.53 2.08 -1.24 -4.52 119.36 98.18 2kgl n ILE 17 Ca -0.34 2.75 -0.49 0.00 0.56 0.00 0.00 62.75 65.23 2kgl n ILE 17 Cb 0.96 -6.41 -0.05 0.00 -0.75 0.00 0.00 39.64 33.38 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 0.56 0.00 0.00 176.55 177.65 2kgl n ARG 18 N 1.66 2.03 -1.38 0.38 1.74 -1.26 0.06 116.66 119.88 2kgl n ARG 18 Ca -0.38 0.73 -0.13 0.00 -0.77 0.00 0.00 57.85 57.30 2kgl n ARG 18 Cb 0.58 -2.62 -0.06 0.00 -1.02 0.00 0.00 32.46 29.34 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 -1.52 0.00 0.00 177.63 172.64 2kgl n ASP 19 N 7.03 -5.50 -3.16 0.55 -0.08 -1.26 -0.22 116.55 113.91 2kgl n ASP 19 Ca 0.25 0.32 -0.19 0.00 -1.51 0.00 0.00 54.79 53.65 2kgl n ASP 19 Cb 0.29 -4.15 -0.01 0.00 2.34 0.00 0.00 41.12 39.59 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 -2.31 -1.70 0.00 -0.67 4.02 0.11 -4.14 117.16 112.46 2kgl n TYR 20 Ca -0.13 0.34 0.00 0.00 -0.01 0.00 0.00 57.90 58.10 2kgl n TYR 20 Cb 0.58 -2.57 0.00 0.00 -0.02 0.00 0.00 39.34 37.33 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kgl n ASN 21 N -2.11 0.00 0.29 7.72 5.15 -1.00 -4.94 115.26 120.37 2kgl n ASN 21 Ca -0.03 0.00 0.18 0.00 -0.60 0.00 0.00 54.58 54.14 2kgl n ASN 21 Cb 0.54 0.00 0.95 0.00 -0.53 0.00 0.00 39.78 40.74 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 -0.41 1.20 1.82 -0.75 -2.46 116.42 115.82 2kgl h ASP 22 Ca 0.00 0.00 0.09 0.00 -0.39 0.00 0.00 57.03 56.73 2kgl h ASP 22 Cb 0.00 0.00 -0.09 0.00 0.68 0.00 0.00 39.33 39.92 2kgl h ASP 22 CO 0.00 0.00 -0.20 0.00 -1.61 0.00 0.00 179.24 177.43 2kgl h ALA 23 N 1.68 0.09 -0.82 -0.78 0.00 -1.88 -0.34 119.26 117.22 2kgl h ALA 23 Ca 0.03 0.14 0.14 0.00 0.00 0.00 0.00 54.91 55.23 2kgl h ALA 23 Cb 0.41 0.49 -0.09 0.00 0.00 0.00 0.00 17.79 18.59 2kgl h ALA 23 CO -0.00 -0.56 0.40 -0.44 0.00 0.00 0.00 179.25 178.65 2kgl h ASP 24 N -0.13 0.47 -0.87 0.00 3.32 -1.77 0.19 116.42 117.64 2kgl h ASP 24 Ca 0.20 0.10 0.00 0.00 0.02 0.00 0.00 57.03 57.35 2kgl h ASP 24 Cb 0.43 0.03 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 2kgl h ASP 24 CO -0.49 0.19 0.55 0.24 -1.72 0.00 0.00 179.24 178.02 2kgl h MET 25 N 0.58 1.16 -0.96 3.56 2.86 -1.24 -2.12 114.93 118.77 2kgl h MET 25 Ca 0.45 -0.08 0.20 0.00 -2.06 0.00 0.00 59.70 58.21 2kgl h MET 25 Cb 0.64 -0.25 -0.09 0.00 0.06 0.00 0.00 31.60 31.97 2kgl h MET 25 CO -0.37 0.78 0.61 0.00 1.06 0.00 0.00 176.91 179.00 2kgl h ALA 26 N 1.43 1.98 -0.37 6.32 0.00 -0.20 0.24 119.26 128.66 2kgl h ALA 26 Ca 0.32 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.31 2kgl h ALA 26 Cb -0.10 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 2kgl h ALA 26 CO -0.06 -0.31 0.25 0.00 0.00 0.00 0.00 179.25 179.12 2kgl h ARG 27 N 0.57 0.32 -0.93 0.00 -0.00 -1.33 -1.96 114.38 111.05 2kgl h ARG 27 Ca 0.53 -0.02 0.18 0.00 -0.50 0.00 0.00 59.98 60.16 2kgl h ARG 27 Cb 1.08 -0.07 -0.10 0.00 0.00 0.00 0.00 29.97 30.87 2kgl h ARG 27 CO -0.27 0.21 0.52 -0.07 0.00 0.00 0.00 179.97 180.36 2kgl h LEU 28 N 0.33 0.63 -1.62 3.04 3.38 -0.61 0.22 115.31 120.69 2kgl h LEU 28 Ca 0.15 0.10 0.08 0.00 0.09 0.00 0.00 57.88 58.30 2kgl h LEU 28 Cb 0.19 -0.00 -0.03 0.00 0.09 0.00 0.00 40.66 40.91 2kgl h LEU 28 CO -0.03 0.22 0.38 0.25 0.09 0.00 0.00 178.44 179.34 2kgl h LEU 29 N 0.67 0.40 -1.21 1.67 6.46 -1.46 0.83 115.31 122.66 2kgl h LEU 29 Ca 0.53 0.00 -0.05 0.00 -0.12 0.00 0.00 57.88 58.24 2kgl h LEU 29 Cb 0.82 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.66 2kgl h LEU 29 CO -0.39 0.25 -0.26 1.05 -0.62 0.00 0.00 178.44 178.47 2kgl h GLU 30 N 0.45 0.00 -0.87 1.25 4.11 -0.67 -3.11 114.58 115.73 2kgl h GLU 30 Ca 0.25 0.00 0.18 0.00 0.07 0.00 0.00 59.36 59.86 2kgl h GLU 30 Cb 0.41 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.55 2kgl h GLU 30 CO -0.07 0.26 0.42 0.37 0.07 0.00 0.00 179.01 180.05 2kgl h GLN 31 N 0.00 0.51 -0.43 1.06 4.15 -0.63 0.21 115.11 119.98 2kgl h GLN 31 Ca -0.00 -0.03 -0.06 0.00 0.77 0.00 0.00 58.65 59.33 2kgl h GLN 31 Cb 0.71 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 28.27 2kgl h GLN 31 CO 0.03 0.34 0.02 2.35 -1.93 0.00 0.00 178.83 179.64 2kgl h TRP 32 N 0.52 0.72 0.00 3.99 2.91 -1.66 -2.22 115.95 120.21 2kgl h TRP 32 Ca 0.51 -0.08 -0.07 0.00 1.13 0.00 0.00 58.89 60.37 2kgl h TRP 32 Cb 0.83 -0.20 -0.01 0.00 -0.51 0.00 0.00 29.16 29.27 2kgl h TRP 32 CO -0.11 0.67 -0.34 0.93 -1.03 0.00 0.00 178.44 178.56 2kgl h GLU 33 N 0.65 0.00 0.00 2.65 4.39 -0.79 -2.67 114.58 118.82 2kgl h GLU 33 Ca 0.14 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.82 2kgl h GLU 33 Cb 0.37 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.02 2kgl h GLU 33 CO 0.01 0.34 -0.09 1.57 -1.16 0.00 0.00 179.01 179.68 2kgl h LYS 34 N 0.00 0.00 -0.40 2.33 5.09 -0.54 -0.30 116.57 122.75 2kgl h LYS 34 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 60.65 60.74 2kgl h LYS 34 Cb 0.80 0.00 -0.02 0.00 0.10 0.00 0.00 32.23 33.11 2kgl h LYS 34 CO 0.04 0.09 0.25 0.22 -2.09 0.00 0.00 179.45 177.96 2kgl h ASP 35 N 0.00 0.47 0.13 7.07 1.82 -1.41 0.28 116.42 124.79 2kgl h ASP 35 Ca -0.00 -0.04 -0.36 0.00 -0.39 0.00 0.00 57.03 56.24 2kgl h ASP 35 Cb 0.58 -0.12 -0.02 0.00 0.68 0.00 0.00 39.33 40.45 2kgl h ASP 35 CO 0.01 0.37 -2.02 -0.67 -1.61 0.00 0.00 179.24 175.33 2kgl n ASP 36 N -4.78 2.08 0.12 2.28 -0.08 -1.16 -4.56 116.55 110.43 2kgl n ASP 36 Ca 0.00 0.20 -0.05 0.00 -1.51 0.00 0.00 54.79 53.43 2kgl n ASP 36 Cb 0.04 -0.81 -0.02 0.00 2.34 0.00 0.00 41.12 42.67 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.78 0.12 0.00 0.00 177.20 176.54 2kgl h ASP 37 N 0.07 -0.27 -5.55 1.67 3.58 -1.08 -3.48 116.42 111.35 2kgl h ASP 37 Ca -0.43 0.01 -0.21 0.00 0.42 0.00 0.00 57.03 56.82 2kgl h ASP 37 Cb 2.03 0.07 0.01 0.00 1.72 0.00 0.00 39.33 43.16 2kgl h ASP 37 CO 0.08 -0.07 -0.93 0.00 -2.88 0.00 0.00 179.24 175.44 2kgl n ILE 38 N -3.55 -2.59 -0.01 2.25 3.06 1.00 -4.95 119.36 114.57 2kgl n ILE 38 Ca -0.04 0.17 -0.01 0.00 -2.50 0.00 0.00 62.75 60.37 2kgl n ILE 38 Cb 0.13 -2.67 -0.00 0.00 0.54 0.00 0.00 39.64 37.63 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2kgl n GLU 39 N 0.28 0.07 -3.52 9.51 2.13 -1.26 -5.09 120.64 122.75 2kgl n GLU 39 Ca -0.05 0.03 -0.15 0.00 0.66 0.00 0.00 57.16 57.64 2kgl n GLU 39 Cb 0.50 -0.51 -0.05 0.00 0.27 0.00 0.00 31.44 31.66 2kgl n GLU 39 CO 0.00 0.00 0.00 0.39 -0.41 0.00 0.00 177.13 177.11 2kgl n GLU 40 N -2.79 0.58 0.00 5.31 1.02 -1.26 -5.04 120.64 118.46 2kgl n GLU 40 Ca -0.02 -2.21 0.00 0.00 -0.02 0.00 0.00 57.16 54.91 2kgl n GLU 40 Cb 0.07 1.36 0.00 0.00 -0.02 0.00 0.00 31.44 32.85 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgl n GLY 41 N 0.10 0.44 3.73 0.62 0.00 -1.25 -4.63 105.19 104.21 2kgl n GLY 41 Ca -0.01 0.08 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2kgl n GLY 41 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 2kgl s ASP 42 N 0.00 6.42 0.18 1.61 -4.77 -1.26 -4.22 116.67 114.62 2kgl s ASP 42 Ca 0.00 2.86 0.05 0.00 -3.30 0.00 0.00 52.55 52.16 2kgl s ASP 42 Cb 0.00 -2.61 -0.05 0.00 -1.09 0.00 0.00 42.92 39.17 2kgl s ASP 42 CO 0.00 -0.92 -0.09 -0.76 0.70 0.00 0.00 175.17 174.10 2kgl s LEU 43 N 0.39 2.48 -0.28 2.11 1.02 -1.26 -5.03 118.68 118.11 2kgl s LEU 43 Ca 0.69 -1.06 -0.29 0.00 0.02 0.00 0.00 54.13 53.49 2kgl s LEU 43 Cb -0.48 -0.43 -0.02 0.00 0.02 0.00 0.00 46.19 45.28 2kgl s LEU 43 CO 0.39 -0.32 1.65 -2.16 0.02 0.00 0.00 176.35 175.93 2kgl s PRO 44 N -3.74 3.62 -0.25 1.29 0.04 -1.26 -4.12 135.00 130.57 2kgl s PRO 44 Ca 0.21 1.50 -0.03 0.00 0.04 0.00 0.00 61.00 62.71 2kgl s PRO 44 Cb 0.02 -4.09 0.00 0.00 0.04 0.00 0.00 34.50 30.48 2kgl s PRO 44 CO 0.04 -1.51 0.13 -1.91 0.04 0.00 0.00 177.00 173.79 2kgl n GLU 45 N 7.97 -2.37 0.02 4.56 4.07 -1.26 -4.87 120.64 128.76 2kgl n GLU 45 Ca 0.20 2.07 0.08 0.00 -0.06 0.00 0.00 57.16 59.44 2kgl n GLU 45 Cb 0.46 -4.36 0.33 0.00 -0.06 0.00 0.00 31.44 27.81 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 -0.06 0.00 0.00 177.13 174.68 2kgl n HIS 46 N 0.27 0.10 0.00 4.31 1.44 -1.26 -3.90 115.22 116.19 2kgl n HIS 46 Ca 0.03 0.04 0.00 0.00 -2.01 0.00 0.00 57.72 55.78 2kgl n HIS 46 Cb 0.10 -0.57 0.00 0.00 0.12 0.00 0.00 29.99 29.64 2kgl n HIS 46 CO 0.00 0.00 0.00 1.17 -2.81 0.00 0.00 176.34 174.70 2kgl n LYS 47 N -1.60 0.00 -3.27 -1.40 4.81 -1.26 -1.75 118.16 113.70 2kgl n LYS 47 Ca 0.03 0.44 -0.21 0.00 -0.87 0.00 0.00 58.31 57.70 2kgl n LYS 47 Cb 0.18 -1.20 0.02 0.00 0.02 0.00 0.00 35.03 34.05 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kgl n ARG 48 N -1.42 -1.95 -2.17 1.64 1.74 -1.25 -4.30 116.66 108.94 2kgl n ARG 48 Ca 0.00 1.58 -0.42 0.00 -0.77 0.00 0.00 57.85 58.23 2kgl n ARG 48 Cb 0.00 -3.83 -0.03 0.00 -1.02 0.00 0.00 32.46 27.59 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 -1.52 0.00 0.00 177.63 174.86 2kgl s PRO 49 N -2.95 4.27 0.16 5.56 0.04 -1.26 -4.93 135.00 135.88 2kgl s PRO 49 Ca 0.23 2.02 0.07 0.00 0.04 0.00 0.00 61.00 63.36 2kgl s PRO 49 Cb -0.04 -3.59 -0.04 0.00 0.04 0.00 0.00 34.50 30.87 2kgl s PRO 49 CO 0.83 -0.61 0.02 -1.12 0.04 0.00 0.00 177.00 176.15 2kgl s SER 50 N 2.01 4.92 0.29 6.66 0.01 -1.26 -5.14 113.70 121.19 2kgl s SER 50 Ca 0.65 -0.32 0.11 0.00 1.31 0.00 0.00 55.95 57.71 2kgl s SER 50 Cb -0.33 -1.10 -0.05 0.00 0.21 0.00 0.00 66.02 64.75 2kgl s SER 50 CO 0.27 0.10 -0.17 0.00 0.41 0.00 0.00 173.24 173.85 2kgl s ALA 51 N -1.65 2.81 -0.90 1.44 0.00 -1.26 -4.59 121.76 117.60 2kgl s ALA 51 Ca 0.27 -1.93 -0.25 0.00 0.00 0.00 0.00 51.96 50.06 2kgl s ALA 51 Cb -0.10 -0.22 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 2kgl s ALA 51 CO 0.19 0.23 1.95 -1.25 0.00 0.00 0.00 175.76 176.88 2kgl s PRO 52 N -3.54 2.56 -0.31 0.00 0.04 -1.26 -4.74 135.00 127.75 2kgl s PRO 52 Ca 0.31 -0.29 0.13 0.00 0.04 0.00 0.00 61.00 61.18 2kgl s PRO 52 Cb -0.03 -5.06 0.47 0.00 0.04 0.00 0.00 34.50 29.91 2kgl s PRO 52 CO 0.15 -3.38 1.12 0.44 0.04 0.00 0.00 177.00 175.38 2kgl n ILE 53 N 7.88 1.94 -2.79 0.56 -5.35 -1.26 -4.98 119.36 115.36 2kgl n ILE 53 Ca 0.40 -3.83 -0.22 0.00 -0.27 0.00 0.00 62.75 58.83 2kgl n ILE 53 Cb 0.47 -0.23 0.10 0.00 -1.74 0.00 0.00 39.64 38.24 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 -3.58 4.51 -0.06 7.28 1.47 -1.26 -5.02 116.67 119.99 2kgl s ASP 54 Ca 0.40 -0.67 -0.06 0.00 1.18 0.00 0.00 52.55 53.40 2kgl s ASP 54 Cb 0.39 0.33 -0.02 0.00 -0.34 0.00 0.00 42.92 43.28 2kgl s ASP 54 CO -0.03 -1.78 -0.11 0.49 0.68 0.00 0.00 175.17 174.43 2kgl n PHE 55 N -2.66 0.15 -2.78 2.11 3.72 -1.26 -5.08 117.46 111.65 2kgl n PHE 55 Ca 0.17 0.07 -0.01 0.00 -0.05 0.00 0.00 57.45 57.62 2kgl n PHE 55 Cb 0.61 -0.30 -0.01 0.00 -0.94 0.00 0.00 39.48 38.84 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 -3.24 -6.29 -0.05 4.37 2.88 -1.26 -4.99 113.62 105.05 2kgl n SER 56 Ca -0.04 1.25 0.00 0.00 -1.33 0.00 0.00 58.87 58.75 2kgl n SER 56 Cb 0.16 -4.61 0.00 0.00 -0.75 0.00 0.00 64.21 59.02 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 1.08 0.16 0.00 -1.46 4.81 -1.26 -4.94 118.16 116.55 2kgl n LYS 57 Ca -0.09 -0.61 0.00 0.00 -0.87 0.00 0.00 58.31 56.74 2kgl n LYS 57 Cb 0.21 -0.53 0.00 0.00 0.02 0.00 0.00 35.03 34.73 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 -0.03 0.70 -4.26 3.14 7.94 -1.26 -4.89 117.00 118.34 2kgl n LEU 58 Ca 0.00 0.13 -0.38 0.00 -1.11 0.00 0.00 56.01 54.65 2kgl n LEU 58 Cb 0.51 -0.26 -0.12 0.00 0.53 0.00 0.00 43.42 44.07 2kgl n LEU 58 CO 0.00 -0.26 -0.25 -1.81 -1.11 0.00 0.00 177.39 173.96 2kgl s ASP 59 N -2.31 5.29 0.30 1.96 1.11 -1.26 -4.95 116.67 116.81 2kgl s ASP 59 Ca 0.00 -1.22 0.25 0.00 0.18 0.00 0.00 52.55 51.76 2kgl s ASP 59 Cb 0.00 -1.86 1.05 0.00 1.07 0.00 0.00 42.92 43.18 2kgl s ASP 59 CO 0.00 -0.34 1.75 1.55 1.18 0.00 0.00 175.17 179.31 2kgl h PRO 60 N 8.20 0.00 0.00 8.23 0.13 -1.94 -3.47 132.00 143.15 2kgl h PRO 60 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 2kgl h PRO 60 Cb 1.08 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.21 2kgl h PRO 60 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2kgl n GLY 61 N -0.03 4.22 0.00 1.56 0.00 -1.26 -5.12 105.19 104.57 2kgl n GLY 61 Ca 0.02 -1.03 0.00 0.00 0.00 0.00 0.00 46.02 45.01 2kgl n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kgl n LYS 62 N -1.63 0.00 -2.22 1.61 5.02 -1.26 -5.14 118.16 114.54 2kgl n LYS 62 Ca 0.00 0.00 -0.41 0.00 -2.02 0.00 0.00 58.31 55.88 2kgl n LYS 62 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 63 N 0.00 4.40 0.43 1.97 0.04 -1.26 -4.93 135.00 135.65 2kgl s PRO 63 Ca 0.00 2.05 0.23 0.00 0.04 0.00 0.00 61.00 63.32 2kgl s PRO 63 Cb 0.00 -3.19 0.35 0.00 0.04 0.00 0.00 34.50 31.70 2kgl s PRO 63 CO 0.00 -0.23 1.61 0.93 0.04 0.00 0.00 177.00 179.35 2kgl h GLU 64 N 5.21 0.00 -0.84 4.56 5.08 -2.00 -3.26 114.58 123.32 2kgl h GLU 64 Ca -0.45 0.00 0.24 0.00 -1.00 0.00 0.00 59.36 58.15 2kgl h GLU 64 Cb 1.22 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.43 2kgl h GLU 64 CO 0.76 0.00 0.61 0.77 -1.00 0.00 0.00 179.01 180.15 2kgl h SER 65 N 0.00 0.00 -0.46 1.42 0.02 -1.92 0.23 113.55 112.84 2kgl h SER 65 Ca 0.00 0.00 0.13 0.00 -0.84 0.00 0.00 61.79 61.08 2kgl h SER 65 Cb 0.99 0.00 -0.02 0.00 0.14 0.00 0.00 62.40 63.51 2kgl h SER 65 CO 0.00 0.00 0.34 0.40 -1.14 0.00 0.00 176.83 176.43 2kgl h ILE 66 N 0.00 0.74 0.00 3.27 2.04 -1.95 0.25 117.51 121.86 2kgl h ILE 66 Ca 0.40 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.20 2kgl h ILE 66 Cb 1.61 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 38.44 2kgl h ILE 66 CO -0.00 0.00 -0.28 -0.07 0.00 0.00 0.00 178.15 177.80 2kgl h LEU 67 N 0.00 0.00 -1.99 1.44 3.38 -0.81 -2.93 115.31 114.40 2kgl h LEU 67 Ca 0.22 0.00 0.22 0.00 0.09 0.00 0.00 57.88 58.40 2kgl h LEU 67 Cb 0.88 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.60 2kgl h LEU 67 CO -0.00 0.28 0.56 0.50 0.09 0.00 0.00 178.44 179.86 2kgl h LYS 68 N 0.00 0.00 -0.13 1.13 1.63 -0.62 -1.35 116.57 117.23 2kgl h LYS 68 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2kgl h LYS 68 Cb 0.71 0.00 -0.05 0.00 -0.60 0.00 0.00 32.23 32.29 2kgl h LYS 68 CO 0.04 0.00 -0.19 0.52 -3.45 0.00 0.00 179.45 176.36 2kgl h MET 69 N 0.00 -0.23 -6.48 1.90 2.86 -1.65 -3.46 114.93 107.86 2kgl h MET 69 Ca 0.35 0.02 -0.50 0.00 -2.06 0.00 0.00 59.70 57.51 2kgl h MET 69 Cb 1.46 0.05 -0.08 0.00 0.06 0.00 0.00 31.60 33.09 2kgl h MET 69 CO -0.00 -0.16 -0.84 0.25 1.06 0.00 0.00 176.91 177.22 2kgl n THR 70 N -5.33 -2.47 -2.29 2.22 -2.24 -0.51 -4.03 114.28 99.63 2kgl n THR 70 Ca -0.03 -0.27 -0.02 0.00 -2.27 0.00 0.00 64.05 61.46 2kgl n THR 70 Cb 0.25 -2.56 -0.02 0.00 -2.10 0.00 0.00 70.33 65.89 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kgl n LYS 71 N -4.44 -4.19 -0.04 -0.78 4.81 -1.26 -3.71 118.16 108.54 2kgl n LYS 71 Ca -0.13 3.17 -0.01 0.00 -0.87 0.00 0.00 58.31 60.47 2kgl n LYS 71 Cb 0.60 -4.29 -0.00 0.00 0.02 0.00 0.00 35.03 31.36 2kgl n LYS 71 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 2kgl h LYS 72 N 3.56 0.00 0.00 1.64 3.11 -1.98 -3.45 116.57 119.45 2kgl h LYS 72 Ca -0.25 0.00 0.00 0.00 -2.81 0.00 0.00 60.65 57.59 2kgl h LYS 72 Cb 0.55 0.00 0.00 0.00 -1.00 0.00 0.00 32.23 31.78 2kgl h LYS 72 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 179.45 177.05 2kgl n GLY 73 N 1.80 -0.72 3.10 5.01 0.00 -1.26 -5.08 105.19 108.04 2kgl n GLY 73 Ca -0.01 0.36 -0.12 0.00 0.00 0.00 0.00 46.02 46.25 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 0.38 0.18 1.61 2.36 -1.26 -0.10 119.74 122.90 2kgl s LYS 74 Ca 0.00 -0.07 -0.03 0.00 -2.55 0.00 0.00 55.97 53.32 2kgl s LYS 74 Cb 0.00 0.17 0.05 0.00 -1.05 0.00 0.00 37.83 36.99 2kgl s LYS 74 CO 0.00 -0.08 0.10 -2.37 1.55 0.00 0.00 175.35 174.55 2kgl n THR 75 N 2.15 0.00 -4.00 3.43 5.66 -1.13 -4.80 114.28 115.59 2kgl n THR 75 Ca -0.18 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.70 2kgl n THR 75 Cb 0.57 -0.12 -0.13 0.00 -1.55 0.00 0.00 70.33 69.10 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2kgl s LEU 76 N 0.00 2.11 -0.30 1.09 2.34 -1.26 -4.67 118.68 117.99 2kgl s LEU 76 Ca 0.08 -0.25 -0.09 0.00 0.06 0.00 0.00 54.13 53.93 2kgl s LEU 76 Cb -0.01 -0.07 0.13 0.00 -0.56 0.00 0.00 46.19 45.68 2kgl s LEU 76 CO 0.07 -0.10 0.65 0.00 -1.06 0.00 0.00 176.35 175.91 2kgl s MET 77 N -0.67 0.57 -0.03 1.48 0.23 -1.21 -3.22 119.30 116.46 2kgl s MET 77 Ca -0.05 1.41 -0.05 0.00 -1.03 0.00 0.00 55.69 55.97 2kgl s MET 77 Cb -0.05 0.85 0.01 0.00 -1.53 0.00 0.00 34.83 34.11 2kgl s MET 77 CO -0.00 -0.23 0.11 -1.64 -2.03 0.00 0.00 175.02 171.23 2kgl s MET 78 N 2.89 0.24 -0.10 3.16 -1.94 -0.64 -1.85 119.30 121.06 2kgl s MET 78 Ca -0.04 -0.05 -0.04 0.00 -1.71 0.00 0.00 55.69 53.86 2kgl s MET 78 Cb -0.12 0.10 0.05 0.00 2.01 0.00 0.00 34.83 36.88 2kgl s MET 78 CO -0.19 -0.04 0.19 -0.06 -0.01 0.00 0.00 175.02 174.90 2kgl s PHE 79 N -0.44 -0.24 -0.03 -0.03 0.08 0.93 -1.35 117.98 116.89 2kgl s PHE 79 Ca -0.05 0.67 -0.08 0.00 0.12 0.00 0.00 56.93 57.59 2kgl s PHE 79 Cb -0.03 -0.22 0.01 0.00 -0.57 0.00 0.00 43.02 42.21 2kgl s PHE 79 CO 0.00 -0.31 0.18 0.54 -0.10 0.00 0.00 175.22 175.53 2kgl s VAL 80 N 2.33 0.04 -0.41 -0.44 0.11 -1.13 -0.78 120.40 120.11 2kgl s VAL 80 Ca 0.03 -0.34 0.05 0.00 -2.93 0.00 0.00 61.98 58.78 2kgl s VAL 80 Cb -0.12 -0.37 0.19 0.00 -1.53 0.00 0.00 36.38 34.55 2kgl s VAL 80 CO -0.07 -0.19 0.39 1.07 -3.33 0.00 0.00 175.10 172.98 2kgl n THR 81 N 2.17 -1.07 -3.53 5.04 5.66 0.71 -2.05 114.28 121.21 2kgl n THR 81 Ca -0.18 -3.47 -0.10 0.00 -3.05 0.00 0.00 64.05 57.25 2kgl n THR 81 Cb 0.57 -1.62 -0.03 0.00 -1.55 0.00 0.00 70.33 67.69 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 -0.19 0.00 -0.54 1.08 0.11 0.92 -1.80 120.40 120.00 2kgl s VAL 82 Ca 0.33 0.00 -0.28 0.00 -2.93 0.00 0.00 61.98 59.11 2kgl s VAL 82 Cb 0.07 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.92 2kgl s VAL 82 CO -0.18 0.00 1.54 -0.55 -3.33 0.00 0.00 175.10 172.59 2kgl s SER 83 N -1.89 5.95 0.00 3.54 0.15 -1.26 -3.19 113.70 117.00 2kgl s SER 83 Ca 0.01 0.44 0.00 0.00 0.70 0.00 0.00 55.95 57.10 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 -1.82 0.00 0.61 1.20 0.00 0.00 173.24 173.19 2kgl n GLY 84 N 5.35 -0.06 3.65 9.45 0.00 -1.26 -4.56 105.19 117.76 2kgl n GLY 84 Ca 0.15 -1.45 -0.02 0.00 0.00 0.00 0.00 46.02 44.71 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 -1.02 -0.01 -0.56 1.61 3.04 -1.24 -4.67 114.94 112.07 2kgl s ASN 85 Ca 0.00 0.02 -0.27 0.00 0.04 0.00 0.00 52.86 52.65 2kgl s ASN 85 Cb 0.00 0.02 -0.02 0.00 -1.54 0.00 0.00 41.25 39.71 2kgl s ASN 85 CO 0.00 -0.01 1.83 -2.16 -3.04 0.00 0.00 177.10 173.72 2kgl s PRO 86 N -0.79 2.77 0.00 0.43 0.04 -1.26 -4.31 135.00 131.89 2kgl s PRO 86 Ca 0.09 0.74 0.00 0.00 0.04 0.00 0.00 61.00 61.88 2kgl s PRO 86 Cb -0.02 -4.34 0.00 0.00 0.04 0.00 0.00 34.50 30.18 2kgl s PRO 86 CO -0.10 -2.55 0.63 2.41 0.04 0.00 0.00 177.00 177.42 2kgl n THR 87 N 7.24 0.00 0.00 1.26 -1.04 -1.26 -4.96 114.28 115.51 2kgl n THR 87 Ca 0.21 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.22 2kgl n THR 87 Cb 0.51 0.27 0.00 0.00 -1.82 0.00 0.00 70.33 69.29 2kgl n THR 87 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kgl n GLU 88 N 0.00 0.00 0.26 -2.82 4.07 -1.26 -0.39 120.64 120.50 2kgl n GLU 88 Ca -0.15 0.48 0.15 0.00 -0.06 0.00 0.00 57.16 57.58 2kgl n GLU 88 Cb 0.52 -1.47 0.68 0.00 -0.06 0.00 0.00 31.44 31.10 2kgl n GLU 88 CO 0.00 0.00 0.00 0.87 -0.06 0.00 0.00 177.13 177.94 2kgl h LYS 89 N 0.00 0.00 -0.10 5.31 6.56 -2.00 -3.01 116.57 123.34 2kgl h LYS 89 Ca 0.00 0.00 -0.04 0.00 -1.06 0.00 0.00 60.65 59.55 2kgl h LYS 89 Cb 0.00 0.00 -0.00 0.00 -0.57 0.00 0.00 32.23 31.66 2kgl h LYS 89 CO 0.00 0.10 -0.11 0.93 -2.06 0.00 0.00 179.45 178.30 2kgl h GLU 90 N 0.00 0.24 -0.95 3.15 4.39 -1.92 -2.98 114.58 116.52 2kgl h GLU 90 Ca -0.00 -0.14 0.05 0.00 0.34 0.00 0.00 59.36 59.61 2kgl h GLU 90 Cb 0.50 0.01 -0.06 0.00 -0.10 0.00 0.00 28.75 29.09 2kgl h GLU 90 CO 0.01 0.68 0.61 1.79 -1.16 0.00 0.00 179.01 180.95 2kgl h THR 91 N -0.18 1.13 0.00 1.13 1.35 -0.59 -0.70 112.91 115.05 2kgl h THR 91 Ca 0.01 -0.40 -0.03 0.00 -0.55 0.00 0.00 66.41 65.45 2kgl h THR 91 Cb 0.65 -0.14 -0.00 0.00 -1.73 0.00 0.00 68.15 66.93 2kgl h THR 91 CO 0.03 0.21 -0.12 -0.08 -0.25 0.00 0.00 175.52 175.31 2kgl h GLU 92 N 1.16 0.00 0.00 4.72 4.22 -1.54 -1.57 114.58 121.57 2kgl h GLU 92 Ca 0.39 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.74 2kgl h GLU 92 Cb 0.06 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.30 2kgl h GLU 92 CO -0.14 0.12 -0.53 1.49 -2.18 0.00 0.00 179.01 177.77 2kgl h GLU 93 N 0.00 0.00 -0.88 1.92 4.57 -1.00 -3.28 114.58 115.91 2kgl h GLU 93 Ca -0.00 0.00 0.26 0.00 -1.18 0.00 0.00 59.36 58.43 2kgl h GLU 93 Cb 0.23 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 28.79 2kgl h GLU 93 CO 0.02 0.39 0.65 0.82 -1.18 0.00 0.00 179.01 179.71 2kgl h ILE 94 N 0.00 0.52 -0.76 2.32 1.08 -0.36 0.19 117.51 120.49 2kgl h ILE 94 Ca -0.02 0.00 -0.05 0.00 -0.39 0.00 0.00 64.86 64.40 2kgl h ILE 94 Cb 1.34 0.54 -0.03 0.00 -3.07 0.00 0.00 36.82 35.60 2kgl h ILE 94 CO 0.05 0.00 0.28 0.00 -0.69 0.00 0.00 178.15 177.79 2kgl h THR 95 N 0.00 1.26 -0.19 -0.27 1.03 -1.68 0.38 112.91 113.44 2kgl h THR 95 Ca 0.42 -0.85 -0.05 0.00 -0.01 0.00 0.00 66.41 65.91 2kgl h THR 95 Cb 1.72 0.39 -0.00 0.00 -1.07 0.00 0.00 68.15 69.18 2kgl h THR 95 CO -0.00 0.34 -0.09 0.28 -0.01 0.00 0.00 175.52 176.04 2kgl h SER 96 N 1.11 0.41 0.31 0.00 0.02 -0.86 -3.11 113.55 111.44 2kgl h SER 96 Ca 0.25 -0.41 -0.12 0.00 -0.84 0.00 0.00 61.79 60.67 2kgl h SER 96 Cb 0.25 -0.11 -0.01 0.00 0.14 0.00 0.00 62.40 62.67 2kgl h SER 96 CO -0.02 0.73 -0.49 -0.07 -1.14 0.00 0.00 176.83 175.85 2kgl h LEU 97 N 0.09 0.23 -2.00 5.07 3.38 -1.36 -2.90 115.31 117.82 2kgl h LEU 97 Ca 0.04 -0.11 0.15 0.00 0.09 0.00 0.00 57.88 58.05 2kgl h LEU 97 Cb 0.58 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 41.24 2kgl h LEU 97 CO 0.03 0.68 0.37 -0.25 0.09 0.00 0.00 178.44 179.36 2kgl h TRP 98 N 0.17 0.00 -0.79 1.13 7.01 -0.16 -1.19 115.95 122.12 2kgl h TRP 98 Ca 0.01 0.00 0.13 0.00 2.11 0.00 0.00 58.89 61.14 2kgl h TRP 98 Cb 0.93 0.00 -0.09 0.00 -2.10 0.00 0.00 29.16 27.90 2kgl h TRP 98 CO 0.01 0.00 0.38 0.37 -2.79 0.00 0.00 178.44 176.42 2kgl h GLN 99 N 0.00 0.56 0.24 2.65 5.75 -1.52 0.30 115.11 123.09 2kgl h GLN 99 Ca 0.24 -0.03 -0.01 0.00 -0.15 0.00 0.00 58.65 58.69 2kgl h GLN 99 Cb 0.97 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.40 2kgl h GLN 99 CO -0.00 0.37 -0.11 0.78 -2.65 0.00 0.00 178.83 177.21 2kgl h GLY 100 N 0.58 -0.34 1.42 2.39 0.00 -1.41 -3.09 103.07 102.62 2kgl h GLY 100 Ca 0.42 0.12 0.08 0.00 0.00 0.00 0.00 47.33 47.96 2kgl h GLY 100 CO -0.34 -0.12 0.21 1.48 0.00 0.00 0.00 176.54 177.76 2kgl h SER 101 N -0.84 0.00 0.36 0.19 4.64 -1.45 0.58 113.55 117.03 2kgl h SER 101 Ca -0.03 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 61.22 2kgl h SER 101 Cb 0.51 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.59 2kgl h SER 101 CO 0.05 0.00 -0.31 0.25 -0.87 0.00 0.00 176.83 175.96 2kgl h LEU 102 N 0.00 0.00 -0.95 5.97 6.46 -0.40 -2.88 115.31 123.50 2kgl h LEU 102 Ca 0.14 0.00 0.17 0.00 -0.12 0.00 0.00 57.88 58.06 2kgl h LEU 102 Cb 0.55 0.00 -0.10 0.00 -0.73 0.00 0.00 40.66 40.38 2kgl h LEU 102 CO -0.00 0.31 0.55 0.15 -0.62 0.00 0.00 178.44 178.83 2kgl h PHE 103 N 0.00 0.97 -0.34 1.25 3.57 -0.79 0.30 116.94 121.90 2kgl h PHE 103 Ca -0.00 0.03 0.10 0.00 3.53 0.00 0.00 57.97 61.63 2kgl h PHE 103 Cb 0.57 -0.29 -0.01 0.00 2.79 0.00 0.00 35.95 39.01 2kgl h PHE 103 CO 0.00 0.24 0.33 -0.97 -2.23 0.00 0.00 178.31 175.68 2kgl h ASN 104 N 0.74 0.00 -0.40 0.41 -0.00 -1.63 -3.45 115.58 111.25 2kgl h ASN 104 Ca 0.53 0.00 -0.17 0.00 -0.00 0.00 0.00 56.30 56.66 2kgl h ASN 104 Cb 0.77 0.00 -0.07 0.00 -0.00 0.00 0.00 38.32 39.02 2kgl h ASN 104 CO -0.37 0.00 -0.16 0.00 -0.00 0.00 0.00 177.43 176.91 2kgl n ALA 105 N -2.41 -0.13 -2.14 1.57 0.00 0.10 -4.12 120.51 113.38 2kgl n ALA 105 Ca 0.05 0.14 -0.01 0.00 0.00 0.00 0.00 53.44 53.62 2kgl n ALA 105 Cb 0.49 -1.45 -0.01 0.00 0.00 0.00 0.00 19.45 18.48 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 -0.69 -0.01 -3.09 0.00 4.13 -1.26 -4.84 115.26 109.50 2kgl n ASN 106 Ca -0.08 -1.78 -0.12 0.00 1.68 0.00 0.00 54.58 54.28 2kgl n ASN 106 Cb 0.46 -0.04 0.12 0.00 -1.54 0.00 0.00 39.78 38.78 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kgl n TYR 107 N 0.14 -2.66 -3.76 3.10 0.18 -1.26 -3.17 117.16 109.73 2kgl n TYR 107 Ca -0.06 -0.31 -0.15 0.00 1.88 0.00 0.00 57.90 59.26 2kgl n TYR 107 Cb 0.78 -0.51 -0.16 0.00 -0.38 0.00 0.00 39.34 39.08 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 -2.08 0.00 0.00 176.86 174.27 2kgl s ASP 108 N -2.39 0.05 -0.11 9.48 1.11 -0.41 -4.47 116.67 119.93 2kgl s ASP 108 Ca 0.26 0.10 -0.10 0.00 0.18 0.00 0.00 52.55 52.99 2kgl s ASP 108 Cb -0.05 -0.01 0.03 0.00 1.07 0.00 0.00 42.92 43.96 2kgl s ASP 108 CO 0.22 -0.14 0.30 0.54 1.18 0.00 0.00 175.17 177.27 2kgl s VAL 109 N 1.12 0.00 -0.06 -1.27 0.11 -1.26 -3.12 120.40 115.92 2kgl s VAL 109 Ca -0.09 -0.01 -0.03 0.00 -2.93 0.00 0.00 61.98 58.93 2kgl s VAL 109 Cb -0.13 -0.42 0.04 0.00 -1.53 0.00 0.00 36.38 34.34 2kgl s VAL 109 CO -0.04 -0.00 0.14 -1.58 -3.33 0.00 0.00 175.10 170.29 2kgl s GLN 110 N 0.14 0.08 -0.18 1.54 2.00 -1.07 -4.63 119.66 117.54 2kgl s GLN 110 Ca -0.00 0.36 0.01 0.00 -2.00 0.00 0.00 55.36 53.73 2kgl s GLN 110 Cb -0.02 -0.19 0.02 0.00 0.80 0.00 0.00 33.01 33.62 2kgl s GLN 110 CO 0.00 -0.17 -0.20 -0.98 -0.50 0.00 0.00 175.29 173.45 2kgl s ARG 111 N 1.18 3.00 -0.04 1.67 1.70 -1.12 -3.14 118.95 122.20 2kgl s ARG 111 Ca -0.09 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.33 2kgl s ARG 111 Cb -0.12 -2.58 0.03 0.00 -0.57 0.00 0.00 34.95 31.71 2kgl s ARG 111 CO -0.06 -0.21 0.03 0.12 -1.08 0.00 0.00 175.30 174.10 2kgl s PHE 112 N 1.29 0.28 -0.11 5.89 2.19 -1.18 -4.46 117.98 121.88 2kgl s PHE 112 Ca 0.05 0.07 -0.01 0.00 0.33 0.00 0.00 56.93 57.38 2kgl s PHE 112 Cb -0.13 -0.52 0.03 0.00 -1.31 0.00 0.00 43.02 41.09 2kgl s PHE 112 CO -0.13 -0.20 -0.07 0.42 1.83 0.00 0.00 175.22 177.08 2kgl s ILE 113 N 1.69 0.97 -0.02 3.12 1.09 -1.26 -3.11 121.20 123.68 2kgl s ILE 113 Ca -0.01 -0.26 -0.05 0.00 -1.10 0.00 0.00 60.65 59.24 2kgl s ILE 113 Cb -0.13 -1.01 0.00 0.00 -1.06 0.00 0.00 42.46 40.27 2kgl s ILE 113 CO -0.03 0.35 0.11 -0.69 -0.10 0.00 0.00 174.94 174.58 2kgl s VAL 114 N 1.73 0.05 0.56 2.92 1.01 -0.98 -5.03 120.40 120.66 2kgl s VAL 114 Ca 0.05 -0.39 0.30 0.00 0.00 0.00 0.00 61.98 61.95 2kgl s VAL 114 Cb -0.13 -0.29 0.44 0.00 0.00 0.00 0.00 36.38 36.41 2kgl s VAL 114 CO -0.08 -0.21 1.89 1.23 0.00 0.00 0.00 175.10 177.93 2kgl h GLY 115 N 5.14 0.00 0.62 4.51 0.00 -2.05 -1.17 103.07 110.11 2kgl h GLY 115 Ca -0.28 0.00 -0.00 0.00 0.00 0.00 0.00 47.33 47.04 2kgl h GLY 115 CO 0.42 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.68 2kgl h SER 116 N 0.00 -0.10 -2.07 0.19 0.02 -2.04 -3.49 113.55 106.07 2kgl h SER 116 Ca 0.34 -0.33 0.08 0.00 -0.84 0.00 0.00 61.79 61.05 2kgl h SER 116 Cb 1.51 0.03 -0.01 0.00 0.14 0.00 0.00 62.40 64.06 2kgl h SER 116 CO -0.00 0.28 0.37 -0.90 -1.14 0.00 0.00 176.83 175.44 2kgl n ASP 117 N -4.97 -1.32 -3.98 3.07 5.68 -0.44 -4.74 116.55 109.84 2kgl n ASP 117 Ca -0.08 -1.76 -0.24 0.00 -0.50 0.00 0.00 54.79 52.21 2kgl n ASP 117 Cb 0.22 2.16 -0.17 0.00 -1.14 0.00 0.00 41.12 42.20 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kgl s ARG 118 N -2.04 1.53 -0.11 0.11 3.00 -1.19 -2.31 118.95 117.93 2kgl s ARG 118 Ca 0.15 -0.33 -0.00 0.00 0.00 0.00 0.00 55.73 55.54 2kgl s ARG 118 Cb -0.02 -1.35 0.03 0.00 0.00 0.00 0.00 34.95 33.60 2kgl s ARG 118 CO 0.05 -0.05 -0.07 0.00 0.00 0.00 0.00 175.30 175.23 2kgl s ALA 119 N 0.91 1.33 0.01 2.13 0.00 -1.18 -0.05 121.76 124.91 2kgl s ALA 119 Ca -0.10 -0.55 0.02 0.00 0.00 0.00 0.00 51.96 51.33 2kgl s ALA 119 Cb -0.15 -0.92 -0.01 0.00 0.00 0.00 0.00 23.12 22.04 2kgl s ALA 119 CO 0.01 -0.43 -0.08 -1.50 0.00 0.00 0.00 175.76 173.76 2kgl s ILE 120 N 1.71 0.58 -0.01 0.00 -1.16 -0.87 -3.10 121.20 118.35 2kgl s ILE 120 Ca 0.05 -0.59 0.04 0.00 -0.51 0.00 0.00 60.65 59.64 2kgl s ILE 120 Cb -0.13 -0.54 -0.01 0.00 0.61 0.00 0.00 42.46 42.39 2kgl s ILE 120 CO -0.08 -0.02 -0.13 0.12 -2.81 0.00 0.00 174.94 172.01 2kgl s PHE 121 N -0.58 1.20 -0.16 3.50 2.19 -1.19 -2.83 117.98 120.11 2kgl s PHE 121 Ca -0.01 -0.23 -0.07 0.00 0.33 0.00 0.00 56.93 56.95 2kgl s PHE 121 Cb -0.05 -0.77 0.07 0.00 -1.31 0.00 0.00 43.02 40.96 2kgl s PHE 121 CO 0.00 -0.02 0.36 1.41 1.83 0.00 0.00 175.22 178.80 2kgl s MET 122 N -0.31 0.29 -0.14 10.12 -2.45 -0.46 -2.60 119.30 123.75 2kgl s MET 122 Ca 0.05 0.85 -0.11 0.00 -1.25 0.00 0.00 55.69 55.23 2kgl s MET 122 Cb -0.05 0.11 0.04 0.00 1.25 0.00 0.00 34.83 36.18 2kgl s MET 122 CO -0.01 -0.23 0.37 -1.17 1.05 0.00 0.00 175.02 175.04 2kgl s LEU 123 N 2.11 0.36 0.54 4.11 0.20 -1.18 -1.62 118.68 123.20 2kgl s LEU 123 Ca -0.04 0.77 0.31 0.00 0.69 0.00 0.00 54.13 55.85 2kgl s LEU 123 Cb -0.11 1.23 1.47 0.00 -0.43 0.00 0.00 46.19 48.36 2kgl s LEU 123 CO -0.11 -0.15 1.90 0.08 -0.29 0.00 0.00 176.35 177.77 2kgl h ARG 124 N 6.22 0.00 0.00 1.98 0.11 -1.87 -3.13 114.38 117.68 2kgl h ARG 124 Ca -0.31 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 59.76 2kgl h ARG 124 Cb 1.18 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.26 2kgl h ARG 124 CO 0.29 0.00 0.00 -3.47 0.10 0.00 0.00 179.97 176.90 2kgl n ASP 125 N -4.20 0.02 0.08 0.08 2.03 -1.26 -4.40 116.55 108.90 2kgl n ASP 125 Ca 0.16 -1.02 0.00 0.00 0.52 0.00 0.00 54.79 54.46 2kgl n ASP 125 Cb 0.90 -0.01 0.00 0.00 -0.72 0.00 0.00 41.12 41.28 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kgl n GLY 126 N 4.85 -0.17 0.11 0.27 0.00 -1.19 -1.28 105.19 107.77 2kgl n GLY 126 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 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 -0.16 0.13 1.61 0.02 -1.91 -1.85 113.55 111.40 2kgl h SER 127 Ca 0.00 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.85 2kgl h SER 127 Cb 0.07 0.04 -0.00 0.00 0.14 0.00 0.00 62.40 62.65 2kgl h SER 127 CO 0.00 -0.03 -0.13 1.88 -1.14 0.00 0.00 176.83 177.41 2kgl h TYR 128 N -0.28 0.00 -0.04 3.45 -1.99 -1.98 -1.81 116.97 114.31 2kgl h TYR 128 Ca -0.02 -0.00 -0.11 0.00 2.00 0.00 0.00 58.73 60.60 2kgl h TYR 128 Cb 0.23 -0.00 -0.01 0.00 2.00 0.00 0.00 36.73 38.94 2kgl h TYR 128 CO -0.04 0.14 -0.50 0.00 -0.00 0.00 0.00 178.16 177.76 2kgl h ALA 129 N 1.86 1.09 -0.30 3.88 0.00 -1.75 -2.55 119.26 121.50 2kgl h ALA 129 Ca -0.00 -0.46 -0.03 0.00 0.00 0.00 0.00 54.91 54.42 2kgl h ALA 129 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 2kgl h ALA 129 CO 0.02 0.64 0.09 -1.49 0.00 0.00 0.00 179.25 178.50 2kgl h TRP 130 N 0.09 0.49 0.20 0.00 -0.00 -0.49 0.24 115.95 116.48 2kgl h TRP 130 Ca 0.00 -0.05 -0.01 0.00 -0.00 0.00 0.00 58.89 58.83 2kgl h TRP 130 Cb 0.91 -0.14 0.00 0.00 -0.00 0.00 0.00 29.16 29.93 2kgl h TRP 130 CO 0.01 0.51 -0.10 1.49 -0.00 0.00 0.00 178.44 180.35 2kgl h GLU 131 N 0.32 -0.26 -0.33 0.49 4.81 -1.49 -3.05 114.58 115.07 2kgl h GLU 131 Ca 0.10 0.02 -0.02 0.00 -0.13 0.00 0.00 59.36 59.33 2kgl h GLU 131 Cb 0.26 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.68 2kgl h GLU 131 CO -0.00 0.04 0.13 0.82 -0.73 0.00 0.00 179.01 179.27 2kgl h ILE 132 N -0.57 1.13 0.19 2.32 1.08 -1.47 -3.02 117.51 117.17 2kgl h ILE 132 Ca -0.03 -0.39 0.01 0.00 -0.39 0.00 0.00 64.86 64.06 2kgl h ILE 132 Cb 0.42 0.74 -0.04 0.00 -3.07 0.00 0.00 36.82 34.87 2kgl h ILE 132 CO 0.05 0.15 -0.53 0.50 -0.69 0.00 0.00 178.15 177.63 2kgl h LYS 133 N 0.45 -0.77 -0.97 2.37 1.63 -0.41 0.27 116.57 119.15 2kgl h LYS 133 Ca 0.11 0.05 0.19 0.00 -0.85 0.00 0.00 60.65 60.15 2kgl h LYS 133 Cb 0.09 0.18 -0.09 0.00 -0.60 0.00 0.00 32.23 31.81 2kgl h LYS 133 CO -0.01 -0.51 0.61 0.22 -3.45 0.00 0.00 179.45 176.30 2kgl h ASP 134 N -0.80 0.67 0.44 4.20 1.82 -1.47 0.25 116.42 121.53 2kgl h ASP 134 Ca -0.02 0.07 -0.11 0.00 -0.39 0.00 0.00 57.03 56.58 2kgl h ASP 134 Cb 0.78 -0.05 -0.01 0.00 0.68 0.00 0.00 39.33 40.72 2kgl h ASP 134 CO -0.25 0.27 -0.50 -0.26 -1.61 0.00 0.00 179.24 176.89 2kgl h PHE 135 N 0.67 0.08 0.63 0.28 -1.00 -1.19 -2.87 116.94 113.54 2kgl h PHE 135 Ca 0.53 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 61.26 2kgl h PHE 135 Cb 0.94 -0.02 0.01 0.00 3.61 0.00 0.00 35.95 40.49 2kgl h PHE 135 CO -0.00 0.55 -0.30 1.25 -1.61 0.00 0.00 178.31 178.20 2kgl h LEU 136 N 0.05 -0.71 -2.00 1.54 7.12 0.30 -2.90 115.31 118.71 2kgl h LEU 136 Ca -0.00 0.02 0.17 0.00 0.13 0.00 0.00 57.88 58.21 2kgl h LEU 136 Cb 0.90 0.18 -0.02 0.00 -0.53 0.00 0.00 40.66 41.19 2kgl h LEU 136 CO 0.07 -0.47 0.44 1.62 -0.13 0.00 0.00 178.44 179.96 2kgl h VAL 137 N -0.92 0.69 -0.49 1.05 3.04 -1.55 0.66 116.25 118.73 2kgl h VAL 137 Ca -0.09 0.00 0.13 0.00 -1.01 0.00 0.00 66.70 65.74 2kgl h VAL 137 Cb 0.65 0.70 -0.02 0.00 -2.01 0.00 0.00 31.29 30.60 2kgl h VAL 137 CO 0.14 0.00 0.35 0.28 -1.01 0.00 0.00 177.57 177.33 2kgl h SER 138 N 0.00 0.05 0.40 3.17 0.02 -1.29 -2.41 113.55 113.48 2kgl h SER 138 Ca 0.29 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.22 2kgl h SER 138 Cb 1.15 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.69 2kgl h SER 138 CO -0.00 0.03 -0.19 1.56 -1.14 0.00 0.00 176.83 177.09 2kgl h GLN 139 N 0.05 -0.51 -1.24 3.45 7.50 -0.86 -3.45 115.11 120.06 2kgl h GLN 139 Ca 0.24 0.03 -0.35 0.00 0.50 0.00 0.00 58.65 59.07 2kgl h GLN 139 Cb 0.87 0.12 -0.11 0.00 0.05 0.00 0.00 27.48 28.40 2kgl h GLN 139 CO -0.01 -0.20 -0.35 -3.47 -1.50 0.00 0.00 178.83 173.29 2kgl n ASP 140 N -5.16 -5.08 -2.66 1.46 2.03 -0.91 -4.76 116.55 101.47 2kgl n ASP 140 Ca -0.09 0.31 -0.03 0.00 0.52 0.00 0.00 54.79 55.50 2kgl n ASP 140 Cb 0.28 -4.11 0.03 0.00 -0.72 0.00 0.00 41.12 36.59 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 -2.54 0.17 -3.81 -0.67 0.63 -0.74 -4.81 116.66 104.90 2kgl n ARG 141 Ca -0.18 -0.71 -0.12 0.00 -0.92 0.00 0.00 57.85 55.92 2kgl n ARG 141 Cb 0.59 -0.05 -0.10 0.00 0.45 0.00 0.00 32.46 33.34 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 -0.65 0.35 -0.17 0.00 0.00 -1.26 -0.20 121.76 119.82 2kgl s ALA 143 Ca -0.07 0.11 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 2kgl s ALA 143 Cb -0.04 -0.65 0.08 0.00 0.00 0.00 0.00 23.12 22.50 2kgl s ALA 143 CO 0.02 -0.49 0.36 -1.21 0.00 0.00 0.00 175.76 174.44 2kgl s GLU 144 N 2.12 0.26 0.02 0.00 2.02 0.04 -3.96 118.70 119.19 2kgl s GLU 144 Ca 0.05 0.91 0.03 0.00 0.02 0.00 0.00 54.97 55.99 2kgl s GLU 144 Cb -0.12 0.17 -0.02 0.00 0.10 0.00 0.00 34.13 34.26 2kgl s GLU 144 CO -0.04 -0.28 -0.10 0.14 0.02 0.00 0.00 175.26 175.00 2kgl s VAL 145 N 2.54 0.80 -0.06 2.63 -7.23 -1.26 -0.05 120.40 117.77 2kgl s VAL 145 Ca -0.00 -0.78 -0.02 0.00 -1.81 0.00 0.00 61.98 59.37 2kgl s VAL 145 Cb -0.12 -0.74 0.03 0.00 0.56 0.00 0.00 36.38 36.11 2kgl s VAL 145 CO -0.11 -0.02 0.04 0.42 -0.31 0.00 0.00 175.10 175.12 2kgl s THR 146 N -0.73 0.04 -0.16 5.32 -4.23 -0.77 -4.77 115.64 110.36 2kgl s THR 146 Ca -0.00 0.29 -0.09 0.00 -1.18 0.00 0.00 61.69 60.70 2kgl s THR 146 Cb -0.07 -0.30 0.05 0.00 1.34 0.00 0.00 72.50 73.53 2kgl s THR 146 CO 0.01 0.17 0.38 -0.22 -0.54 0.00 0.00 174.62 174.42 2kgl s LEU 147 N 2.11 0.08 -0.30 4.79 1.98 -0.72 -3.28 118.68 123.34 2kgl s LEU 147 Ca 0.05 0.82 -0.17 0.00 -2.89 0.00 0.00 54.13 51.94 2kgl s LEU 147 Cb -0.12 1.25 0.18 0.00 0.66 0.00 0.00 46.19 48.15 2kgl s LEU 147 CO -0.04 -0.18 1.16 -0.70 -1.89 0.00 0.00 176.35 174.70 2kgl s GLU 148 N 1.19 0.11 -1.10 1.98 2.56 -1.26 -4.53 118.70 117.65 2kgl s GLU 148 Ca -0.08 0.24 -0.08 0.00 0.00 0.00 0.00 54.97 55.05 2kgl s GLU 148 Cb -0.08 0.14 -0.08 0.00 2.00 0.00 0.00 34.13 36.11 2kgl s GLU 148 CO -0.10 -0.09 2.99 0.41 -0.56 0.00 0.00 175.26 177.91 2kgl n GLY 149 N 5.14 4.16 0.00 -1.50 0.00 -1.26 -4.55 105.19 107.18 2kgl n GLY 149 Ca -0.08 -1.57 0.00 0.00 0.00 0.00 0.00 46.02 44.37 2kgl n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kgl n GLN 150 N 2.75 0.00 -2.65 1.61 7.27 -1.26 -4.66 117.38 120.43 2kgl n GLN 150 Ca 0.65 0.26 -0.04 0.00 0.07 0.00 0.00 57.00 57.94 2kgl n GLN 150 Cb 0.42 -1.09 0.08 0.00 2.41 0.00 0.00 30.24 32.06 2kgl n GLN 150 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 2kgl n MET 151 N -1.27 0.03 -2.71 3.69 0.00 -1.26 -4.92 117.12 110.69 2kgl n MET 151 Ca 0.00 -0.55 -0.05 0.00 0.00 0.00 0.00 57.70 57.10 2kgl n MET 151 Cb 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 33.22 33.20 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 1.42 -2.09 -1.23 3.17 4.01 0.86 -5.00 117.16 118.30 2kgl n TYR 152 Ca -0.00 -1.10 -0.30 0.00 -0.16 0.00 0.00 57.90 56.33 2kgl n TYR 152 Cb 0.72 1.30 0.11 0.00 -0.31 0.00 0.00 39.34 41.17 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kgl s PRO 153 N 0.68 1.84 -0.01 -0.72 0.04 -0.03 -2.85 135.00 133.95 2kgl s PRO 153 Ca 0.28 1.03 0.22 0.00 0.04 0.00 0.00 61.00 62.56 2kgl s PRO 153 Cb 0.14 -1.86 -0.27 0.00 0.04 0.00 0.00 34.50 32.54 2kgl s PRO 153 CO -0.12 -1.90 0.67 0.41 0.04 0.00 0.00 177.00 176.11 2kgl n GLY 154 N -1.17 -1.02 0.46 0.56 0.00 -1.26 -4.21 105.19 98.54 2kgl n GLY 154 Ca 0.08 -0.54 0.27 0.00 0.00 0.00 0.00 46.02 45.84 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 0.00 0.05 0.00 1.61 1.57 -1.95 -3.41 116.57 114.44 2kgl h LYS 155 Ca 0.00 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kgl h LYS 155 Cb 0.80 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.10 2kgl h LYS 155 CO 0.00 0.04 0.00 0.41 -0.57 0.00 0.00 179.45 179.33 2kgl n GLY 156 N -1.69 0.50 0.00 3.86 0.00 -1.26 -4.86 105.19 101.74 2kgl n GLY 156 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 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 0.00 0.79 -0.02 0.00 -1.26 -4.78 105.19 99.92 2kgl n GLY 157 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 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 -3.81 0.01 -0.02 0.00 -1.26 -4.99 105.19 95.12 2kgl n GLY 158 Ca 0.00 -0.67 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 2kgl n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 159 N 0.27 0.22 -2.77 1.61 2.88 -1.26 -4.91 113.62 109.65 2kgl n SER 159 Ca 0.00 0.30 -0.01 0.00 -1.33 0.00 0.00 58.87 57.82 2kgl n SER 159 Cb 0.00 -0.55 0.00 0.00 -0.75 0.00 0.00 64.21 62.92 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 160 N -2.54 -3.17 -0.01 -1.46 4.81 -1.24 -4.74 118.16 109.81 2kgl n LYS 160 Ca -0.01 2.59 -0.01 0.00 -0.87 0.00 0.00 58.31 60.01 2kgl n LYS 160 Cb 0.03 -5.09 -0.01 0.00 0.02 0.00 0.00 35.03 29.98 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 0.64 3.39 -2.87 1.64 -0.58 -1.26 -4.92 120.64 116.68 2kgl n GLU 161 Ca 0.01 0.00 -0.00 0.00 -0.42 0.00 0.00 57.16 56.75 2kgl n GLU 161 Cb 0.09 -1.04 0.00 0.00 -0.57 0.00 0.00 31.44 29.92 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 -2.11 -1.21 -3.73 3.49 3.00 -1.26 -5.06 118.16 111.28 2kgl n LYS 162 Ca -0.03 1.41 -0.12 0.00 -0.00 0.00 0.00 58.31 59.57 2kgl n LYS 162 Cb 0.55 -5.27 -0.11 0.00 0.00 0.00 0.00 35.03 30.20 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kgl s ASN 163 N -2.86 -0.40 0.44 3.14 0.02 -1.26 -5.15 114.94 108.86 2kgl s ASN 163 Ca 0.01 0.74 -0.03 0.00 -1.02 0.00 0.00 52.86 52.56 2kgl s ASN 163 Cb -0.00 0.70 -0.03 0.00 0.02 0.00 0.00 41.25 41.93 2kgl s ASN 163 CO 0.66 -0.15 0.70 -0.54 0.02 0.00 0.00 177.10 177.80 2kgl s LYS 164 N 0.66 3.49 -0.38 -0.60 1.02 -1.26 -4.33 119.74 118.33 2kgl s LYS 164 Ca -0.04 -0.02 0.04 0.00 0.02 0.00 0.00 55.97 55.97 2kgl s LYS 164 Cb -0.05 -2.48 0.16 0.00 -0.52 0.00 0.00 37.83 34.94 2kgl s LYS 164 CO -0.04 -0.09 0.42 0.95 -0.92 0.00 0.00 175.35 175.66 2kgl s THR 165 N -2.59 -0.41 -0.02 2.17 -4.23 -1.26 -5.00 115.64 104.30 2kgl s THR 165 Ca 0.45 -0.91 -0.21 0.00 -1.18 0.00 0.00 61.69 59.84 2kgl s THR 165 Cb -0.10 -0.58 -0.12 0.00 1.34 0.00 0.00 72.50 73.04 2kgl s THR 165 CO 0.41 -0.52 0.89 0.50 -0.54 0.00 0.00 174.62 175.37 2kgl h LYS 166 N 6.96 -0.61 -0.10 3.99 3.64 -1.99 -0.25 116.57 128.21 2kgl h LYS 166 Ca 0.06 0.04 -0.12 0.00 -1.27 0.00 0.00 60.65 59.36 2kgl h LYS 166 Cb 1.07 0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kgl h LYS 166 CO 0.18 -0.35 -0.46 -1.00 -2.27 0.00 0.00 179.45 175.55 2kgl h PRO 167 N -1.10 0.23 0.00 1.90 0.13 -2.02 -2.95 132.00 128.19 2kgl h PRO 167 Ca -0.07 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.85 2kgl h PRO 167 Cb 0.55 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.67 2kgl h PRO 167 CO 0.11 0.65 -0.45 1.49 -0.23 0.00 0.00 178.00 179.56 2kgl h GLU 168 N 0.19 0.00 -0.19 0.86 4.57 -1.96 -3.12 114.58 114.92 2kgl h GLU 168 Ca 0.01 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.25 2kgl h GLU 168 Cb 0.89 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.41 2kgl h GLU 168 CO 0.07 0.45 -0.25 0.87 -1.18 0.00 0.00 179.01 178.98 2kgl h LYS 169 N 0.00 -0.27 -0.04 1.92 1.57 -0.84 -1.72 116.57 117.19 2kgl h LYS 169 Ca -0.00 0.02 -0.16 0.00 -1.87 0.00 0.00 60.65 58.63 2kgl h LYS 169 Cb 1.22 0.06 -0.01 0.00 0.08 0.00 0.00 32.23 33.58 2kgl h LYS 169 CO 0.06 -0.18 -0.70 0.00 -0.57 0.00 0.00 179.45 178.06 2kgl h ALA 170 N 0.70 0.76 -0.50 3.86 0.00 -1.68 -3.12 119.26 119.28 2kgl h ALA 170 Ca 0.12 -0.61 0.10 0.00 0.00 0.00 0.00 54.91 54.52 2kgl h ALA 170 Cb 0.47 -0.09 -0.08 0.00 0.00 0.00 0.00 17.79 18.09 2kgl h ALA 170 CO -0.36 0.80 0.02 -0.22 0.00 0.00 0.00 179.25 179.50 2kgl h LYS 171 N 0.12 0.13 -0.33 0.00 3.64 -1.28 0.31 116.57 119.17 2kgl h LYS 171 Ca -0.02 -0.01 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 2kgl h LYS 171 Cb 1.24 -0.03 -0.01 0.00 -0.41 0.00 0.00 32.23 33.02 2kgl h LYS 171 CO 0.10 0.09 -0.29 -0.22 -2.27 0.00 0.00 179.45 176.86 2kgl h LYS 172 N 0.14 0.68 -0.69 1.90 3.64 -1.38 -2.94 116.57 117.92 2kgl h LYS 172 Ca 0.25 -0.30 -0.01 0.00 -1.27 0.00 0.00 60.65 59.32 2kgl h LYS 172 Cb 0.38 -0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 32.15 2kgl h LYS 172 CO -0.40 0.90 0.38 -0.22 -2.27 0.00 0.00 179.45 177.83 2kgl h LYS 173 N 0.59 0.95 -0.56 1.90 3.11 -1.13 -2.56 116.57 118.87 2kgl h LYS 173 Ca 0.07 -0.10 -0.02 0.00 -2.81 0.00 0.00 60.65 57.79 2kgl h LYS 173 Cb 0.80 -0.19 -0.03 0.00 -1.00 0.00 0.00 32.23 31.81 2kgl h LYS 173 CO 0.07 0.70 0.26 1.49 -2.81 0.00 0.00 179.45 179.16 2kgl h GLU 174 N 0.96 0.81 0.00 1.90 4.81 -0.82 -3.48 114.58 118.77 2kgl h GLU 174 Ca 0.24 -0.12 0.00 0.00 -0.13 0.00 0.00 59.36 59.35 2kgl h GLU 174 Cb 0.02 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.26 2kgl h GLU 174 CO -0.04 0.67 0.00 0.41 -0.73 0.00 0.00 179.01 179.32 2kgl n GLY 175 N -0.90 1.71 0.31 1.92 0.00 -0.96 -4.41 105.19 102.86 2kgl n GLY 175 Ca 0.03 -0.30 -0.11 0.00 0.00 0.00 0.00 46.02 45.64 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 -0.35 1.61 3.32 -1.74 -1.65 116.42 116.98 2kgl h ASP 176 Ca 0.00 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 56.93 2kgl h ASP 176 Cb 0.00 0.16 -0.01 0.00 0.22 0.00 0.00 39.33 39.71 2kgl h ASP 176 CO 0.00 -0.25 -0.34 1.55 -1.72 0.00 0.00 179.24 178.48 2kgl h PRO 177 N -1.15 0.84 -2.31 3.56 0.13 -1.97 -3.36 132.00 127.75 2kgl h PRO 177 Ca -0.08 -0.44 -0.60 0.00 -0.87 0.00 0.00 66.00 64.02 2kgl h PRO 177 Cb 0.57 0.01 -0.41 0.00 0.13 0.00 0.00 31.00 31.30 2kgl h PRO 177 CO 0.13 1.08 -0.67 1.63 -0.23 0.00 0.00 178.00 179.93 2kgl n LYS 178 N -4.15 2.10 -1.65 0.86 5.02 -1.26 -5.10 118.16 113.97 2kgl n LYS 178 Ca -0.03 -4.40 -0.33 0.00 -2.02 0.00 0.00 58.31 51.54 2kgl n LYS 178 Cb 0.51 -2.10 0.06 0.00 -0.02 0.00 0.00 35.03 33.48 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 179 N -2.06 2.69 -0.55 1.97 0.04 -0.62 -4.34 135.00 132.12 2kgl s PRO 179 Ca 0.37 1.34 -0.14 0.00 0.04 0.00 0.00 61.00 62.60 2kgl s PRO 179 Cb 0.12 -1.94 0.02 0.00 0.04 0.00 0.00 34.50 32.74 2kgl s PRO 179 CO -0.06 -1.33 0.64 0.54 0.04 0.00 0.00 177.00 176.83 2kgl n ARG 180 N -2.65 -1.95 0.00 4.56 1.74 -1.26 -4.87 116.66 112.23 2kgl n ARG 180 Ca 0.10 1.71 0.00 0.00 -0.77 0.00 0.00 57.85 58.89 2kgl n ARG 180 Cb 0.52 -4.74 0.00 0.00 -1.02 0.00 0.00 32.46 27.22 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 -0.89 0.00 -0.36 7.54 0.00 -1.26 -4.97 120.51 120.57 2kgl n ALA 181 Ca 0.01 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.54 2kgl n ALA 181 Cb 0.53 0.00 0.26 0.00 0.00 0.00 0.00 19.45 20.25 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 0.89 -0.57 0.00 4.64 -1.79 -1.06 113.55 115.66 2kgl h SER 182 Ca 0.00 0.06 0.04 0.00 -0.47 0.00 0.00 61.79 61.43 2kgl h SER 182 Cb 0.00 -0.11 -0.05 0.00 -0.31 0.00 0.00 62.40 61.93 2kgl h SER 182 CO 0.00 0.43 0.31 0.50 -0.87 0.00 0.00 176.83 177.20 2kgl h LYS 183 N 0.93 0.59 -0.96 4.77 1.63 -1.93 0.24 116.57 121.83 2kgl h LYS 183 Ca 0.52 -0.04 0.17 0.00 -0.85 0.00 0.00 60.65 60.46 2kgl h LYS 183 Cb 0.61 -0.13 -0.10 0.00 -0.60 0.00 0.00 32.23 32.01 2kgl h LYS 183 CO -0.30 0.39 0.56 0.93 -3.45 0.00 0.00 179.45 177.58 2kgl h GLU 184 N 0.60 0.74 0.17 1.90 5.08 -1.58 0.01 114.58 121.50 2kgl h GLU 184 Ca 0.25 -0.04 -0.24 0.00 -1.00 0.00 0.00 59.36 58.32 2kgl h GLU 184 Cb 0.12 -0.17 0.03 0.00 0.50 0.00 0.00 28.75 29.23 2kgl h GLU 184 CO -0.15 0.49 -1.05 -0.44 -1.00 0.00 0.00 179.01 176.86 2kgl h ASP 185 N 0.76 0.63 -1.00 1.42 3.32 -1.27 -3.13 116.42 117.15 2kgl h ASP 185 Ca 0.53 -0.92 0.14 0.00 0.02 0.00 0.00 57.03 56.81 2kgl h ASP 185 Cb 0.77 -0.20 -0.09 0.00 0.22 0.00 0.00 39.33 40.02 2kgl h ASP 185 CO -0.36 1.50 0.62 -1.13 -1.72 0.00 0.00 179.24 178.16 2kgl h ASN 186 N -0.14 0.88 1.31 6.45 -0.00 0.28 0.24 115.58 124.60 2kgl h ASN 186 Ca -0.18 0.06 -0.03 0.00 -0.00 0.00 0.00 56.30 56.16 2kgl h ASN 186 Cb 1.81 -0.11 -0.00 0.00 -0.00 0.00 0.00 38.32 40.02 2kgl h ASN 186 CO 0.20 0.42 -0.13 0.08 -0.00 0.00 0.00 177.43 178.00 2kgl h ARG 187 N 0.92 0.00 -0.88 6.67 0.11 -1.11 -3.15 114.38 116.94 2kgl h ARG 187 Ca 0.52 0.00 0.01 0.00 0.10 0.00 0.00 59.98 60.61 2kgl h ARG 187 Cb 0.62 0.00 -0.04 0.00 1.11 0.00 0.00 29.97 31.66 2kgl h ARG 187 CO -0.30 0.13 0.59 0.00 0.10 0.00 0.00 179.97 180.49 2kgl h ALA 188 N 1.87 1.37 0.00 0.08 0.00 -0.46 -3.49 119.26 118.63 2kgl h ALA 188 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2kgl h ALA 188 Cb 0.82 -0.36 0.00 0.00 0.00 0.00 0.00 17.79 18.26 2kgl h ALA 188 CO 0.02 0.59 0.00 0.41 0.00 0.00 0.00 179.25 180.26 2kgl n GLY 189 N -1.40 1.33 1.85 0.00 0.00 -1.18 -3.39 105.19 102.39 2kgl n GLY 189 Ca 0.10 -1.10 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kgl n SER 190 N 0.00 2.70 -2.78 1.61 3.41 -1.26 -0.12 113.62 117.18 2kgl n SER 190 Ca 0.00 -2.13 -0.00 0.00 -0.26 0.00 0.00 58.87 56.48 2kgl n SER 190 Cb 0.00 0.18 -0.00 0.00 -0.26 0.00 0.00 64.21 64.13 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -0.16 0.00 0.00 175.04 173.74 2kgl n ARG 191 N -0.64 -3.12 -2.99 4.33 0.63 -1.26 -4.00 116.66 109.60 2kgl n ARG 191 Ca -0.11 2.56 -0.19 0.00 -0.92 0.00 0.00 57.85 59.19 2kgl n ARG 191 Cb 0.33 -4.85 0.04 0.00 0.45 0.00 0.00 32.46 28.42 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kgl n ARG 192 N 0.78 -4.62 0.00 -0.14 1.74 -1.26 -4.82 116.66 108.34 2kgl n ARG 192 Ca -0.00 0.75 0.00 0.00 -0.77 0.00 0.00 57.85 57.83 2kgl n ARG 192 Cb 0.06 -5.33 0.00 0.00 -1.02 0.00 0.00 32.46 26.18 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 2kgl n GLU 193 N -3.65 0.00 -3.12 5.56 1.02 -1.26 -5.10 120.64 114.09 2kgl n GLU 193 Ca -0.08 0.00 -0.21 0.00 -0.02 0.00 0.00 57.16 56.86 2kgl n GLU 193 Cb 0.59 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.03 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kgl n ASP 194 N -1.87 -6.97 0.00 1.62 9.92 0.83 -4.95 116.55 115.13 2kgl n ASP 194 Ca 0.00 0.25 0.00 0.00 -0.53 0.00 0.00 54.79 54.51 2kgl n ASP 194 Cb 0.00 -3.89 0.00 0.00 -0.64 0.00 0.00 41.12 36.59 2kgl n ASP 194 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33