#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 7.16 0.48 0.00 -4.77 -1.26 -4.93 116.67 113.35 2kgl s ASP 2 Ca 0.00 1.38 -0.19 0.00 -3.30 0.00 0.00 52.55 50.44 2kgl s ASP 2 Cb 0.00 -2.44 -0.09 0.00 -1.09 0.00 0.00 42.92 39.30 2kgl s ASP 2 CO 0.00 0.07 0.98 0.42 0.70 0.00 0.00 175.17 177.34 2kgl s THR 3 N -0.25 4.28 0.23 2.11 -4.23 -1.26 -5.07 115.64 111.46 2kgl s THR 3 Ca 0.36 1.30 -0.04 0.00 -1.18 0.00 0.00 61.69 62.13 2kgl s THR 3 Cb -0.20 -3.59 0.06 0.00 1.34 0.00 0.00 72.50 70.10 2kgl s THR 3 CO 0.21 -0.43 0.20 -0.81 -0.54 0.00 0.00 174.62 173.26 2kgl n PRO 4 N -1.08 -1.42 -3.16 3.99 -0.04 -1.26 -4.95 135.00 127.08 2kgl n PRO 4 Ca 0.07 -0.33 0.05 0.00 -0.04 0.00 0.00 63.50 63.26 2kgl n PRO 4 Cb 0.54 -0.31 -0.02 0.00 -0.04 0.00 0.00 33.50 33.67 2kgl n PRO 4 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kgl s GLY 5 N -2.86 -0.24 0.00 0.55 0.00 -1.26 -5.03 107.32 98.48 2kgl s GLY 5 Ca 0.13 2.93 0.00 0.00 0.00 0.00 0.00 44.72 47.78 2kgl s GLY 5 CO 0.10 3.84 0.00 -2.21 0.00 0.00 0.00 173.10 174.83 2kgl n GLU 6 N 5.44 0.00 -3.46 2.90 2.13 -1.26 -5.04 120.64 121.35 2kgl n GLU 6 Ca -0.08 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.43 2kgl n GLU 6 Cb 0.54 0.00 -0.07 0.00 0.27 0.00 0.00 31.44 32.18 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 -0.48 4.12 -2.49 4.31 0.00 -1.26 -5.05 120.51 119.66 2kgl n ALA 7 Ca 0.00 -4.72 -0.25 0.00 0.00 0.00 0.00 53.44 48.47 2kgl n ALA 7 Cb 0.00 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.02 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 -2.21 1.77 0.96 0.00 -1.32 -1.26 -5.15 115.64 108.44 2kgl s THR 8 Ca 0.34 -1.41 -0.12 0.00 -1.21 0.00 0.00 61.69 59.29 2kgl s THR 8 Cb 0.07 -1.57 0.17 0.00 -1.51 0.00 0.00 72.50 69.65 2kgl s THR 8 CO -0.03 0.09 1.09 -2.16 -2.21 0.00 0.00 174.62 171.40 2kgl s PRO 9 N -1.58 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.94 2kgl s PRO 9 Ca 0.08 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.63 2kgl s PRO 9 Cb -0.09 -1.76 0.17 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 0.73 -1.12 0.56 0.04 -1.26 -4.88 135.00 124.12 2kgl s PRO 10 Ca 0.65 0.63 -0.23 0.00 0.04 0.00 0.00 61.00 62.09 2kgl s PRO 10 Cb -0.18 -1.76 -0.10 0.00 0.04 0.00 0.00 34.50 32.49 2kgl s PRO 10 CO 0.57 -2.55 1.93 -0.35 0.04 0.00 0.00 177.00 176.64 2kgl n PRO 11 N -4.07 1.57 0.08 0.56 -0.04 -1.26 -4.73 135.00 127.11 2kgl n PRO 11 Ca 0.06 -2.37 -0.12 0.00 -0.04 0.00 0.00 63.50 61.03 2kgl n PRO 11 Cb 0.56 -3.61 -0.08 0.00 -0.04 0.00 0.00 33.50 30.33 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 9.44 -0.23 0.00 0.54 3.08 -1.97 -3.42 114.38 121.82 2kgl h ARG 12 Ca 0.25 0.02 -0.05 0.00 0.07 0.00 0.00 59.98 60.26 2kgl h ARG 12 Cb 0.90 0.05 -0.10 0.00 0.08 0.00 0.00 29.97 30.90 2kgl h ARG 12 CO 1.34 0.17 -0.49 1.63 -1.07 0.00 0.00 179.97 181.54 2kgl n LYS 13 N -4.98 0.00 -0.10 0.04 4.01 -1.26 -4.78 118.16 111.08 2kgl n LYS 13 Ca -0.08 -1.01 -0.16 0.00 -0.51 0.00 0.00 58.31 56.54 2kgl n LYS 13 Cb 0.26 -0.19 -0.09 0.00 -0.51 0.00 0.00 35.03 34.50 2kgl n LYS 13 CO 0.00 0.00 0.00 0.36 -1.11 0.00 0.00 177.40 176.65 2kgl n LYS 14 N 0.11 0.50 -0.63 1.97 2.85 -1.25 -4.42 118.16 117.28 2kgl n LYS 14 Ca -0.01 0.14 0.06 0.00 -1.05 0.00 0.00 58.31 57.45 2kgl n LYS 14 Cb 0.76 -1.37 0.30 0.00 -0.65 0.00 0.00 35.03 34.06 2kgl n LYS 14 CO 0.00 0.00 0.00 1.17 -0.05 0.00 0.00 177.40 178.52 2kgl n LYS 15 N -3.29 3.44 -0.09 -1.58 4.81 -1.26 -1.36 118.16 118.83 2kgl n LYS 15 Ca -0.37 -2.97 -0.17 0.00 -0.87 0.00 0.00 58.31 53.93 2kgl n LYS 15 Cb 0.86 -1.99 -0.10 0.00 0.02 0.00 0.00 35.03 33.83 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 2kgl h ASP 16 N 2.39 0.00 -4.65 3.14 5.19 -1.82 -3.50 116.42 117.18 2kgl h ASP 16 Ca 0.03 -0.49 0.01 0.00 -0.62 0.00 0.00 57.03 55.96 2kgl h ASP 16 Cb 1.67 0.00 -0.11 0.00 0.18 0.00 0.00 39.33 41.07 2kgl h ASP 16 CO 0.34 1.26 -1.32 -0.38 -3.12 0.00 0.00 179.24 176.02 2kgl n ILE 17 N -4.51-11.44 -1.61 0.35 2.08 -1.26 -4.54 119.36 98.43 2kgl n ILE 17 Ca -0.23 2.40 -0.48 0.00 0.56 0.00 0.00 62.75 65.00 2kgl n ILE 17 Cb 0.56 -6.05 -0.05 0.00 -0.75 0.00 0.00 39.64 33.34 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 1.45 1.90 -1.24 0.38 3.00 -1.26 0.01 116.66 120.90 2kgl n ARG 18 Ca -0.34 0.64 -0.08 0.00 -0.01 0.00 0.00 57.85 58.06 2kgl n ARG 18 Cb 0.52 -2.72 -0.04 0.00 0.00 0.00 0.00 32.46 30.22 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 8.36 -5.26 -2.33 0.55 -0.08 -1.24 -0.10 116.55 116.44 2kgl n ASP 19 Ca 0.28 0.21 -0.12 0.00 -1.51 0.00 0.00 54.79 53.65 2kgl n ASP 19 Cb 0.31 -3.49 -0.01 0.00 2.34 0.00 0.00 41.12 40.27 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 -2.34 -1.34 0.00 -0.67 4.01 0.10 -4.12 117.16 112.80 2kgl n TYR 20 Ca -0.08 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.66 2kgl n TYR 20 Cb 0.48 -2.64 0.00 0.00 -0.31 0.00 0.00 39.34 36.87 2kgl n TYR 20 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 2kgl n ASN 21 N -1.64 0.00 0.33 7.72 0.23 -1.02 -4.94 115.26 115.94 2kgl n ASN 21 Ca -0.14 0.00 0.21 0.00 -0.53 0.00 0.00 54.58 54.12 2kgl n ASN 21 Cb 0.58 0.00 1.13 0.00 -2.08 0.00 0.00 39.78 39.41 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 -0.93 0.00 0.00 177.26 175.55 2kgl h ASP 22 N 0.00 0.00 -0.76 0.53 1.82 -0.66 -2.53 116.42 114.82 2kgl h ASP 22 Ca 0.00 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.81 2kgl h ASP 22 Cb 0.00 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 39.90 2kgl h ASP 22 CO 0.00 0.00 0.22 0.00 -1.61 0.00 0.00 179.24 177.85 2kgl h ALA 23 N 1.89 1.03 -0.85 -0.78 0.00 -1.83 0.19 119.26 118.92 2kgl h ALA 23 Ca 0.00 0.16 0.10 0.00 0.00 0.00 0.00 54.91 55.17 2kgl h ALA 23 Cb 0.11 0.20 -0.06 0.00 0.00 0.00 0.00 17.79 18.04 2kgl h ALA 23 CO 0.00 -0.32 0.55 0.38 0.00 0.00 0.00 179.25 179.86 2kgl h ASP 24 N 0.31 0.74 -0.53 0.00 3.04 -1.77 -1.64 116.42 116.58 2kgl h ASP 24 Ca 0.43 0.02 -0.00 0.00 -3.24 0.00 0.00 57.03 54.24 2kgl h ASP 24 Cb 0.74 -0.13 -0.03 0.00 -1.04 0.00 0.00 39.33 38.87 2kgl h ASP 24 CO -0.50 0.44 0.32 0.24 -2.04 0.00 0.00 179.24 177.70 2kgl h MET 25 N 0.82 0.72 -0.88 4.15 0.00 -0.80 -2.18 114.93 116.75 2kgl h MET 25 Ca 0.39 -0.06 0.21 0.00 0.00 0.00 0.00 59.70 60.24 2kgl h MET 25 Cb 0.42 -0.15 -0.06 0.00 0.00 0.00 0.00 31.60 31.81 2kgl h MET 25 CO -0.16 0.52 0.60 0.00 0.00 0.00 0.00 176.91 177.87 2kgl h ALA 26 N 1.16 2.35 -0.22 6.32 0.00 -1.04 0.27 119.26 128.10 2kgl h ALA 26 Ca 0.19 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 55.10 2kgl h ALA 26 Cb -0.02 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.76 2kgl h ALA 26 CO -0.04 -0.63 0.12 -0.09 0.00 0.00 0.00 179.25 178.62 2kgl h ARG 27 N 0.30 0.29 -0.65 0.00 2.43 -1.35 -2.51 114.38 112.90 2kgl h ARG 27 Ca 0.45 -0.02 0.13 0.00 -0.81 0.00 0.00 59.98 59.73 2kgl h ARG 27 Cb 1.28 -0.06 -0.09 0.00 -0.42 0.00 0.00 29.97 30.67 2kgl h ARG 27 CO -0.14 0.21 0.15 -0.07 -1.51 0.00 0.00 179.97 178.61 2kgl h LEU 28 N 0.29 0.01 -1.75 3.80 3.38 -0.53 0.19 115.31 120.72 2kgl h LEU 28 Ca 0.08 0.12 0.12 0.00 0.09 0.00 0.00 57.88 58.29 2kgl h LEU 28 Cb 0.01 0.16 -0.03 0.00 0.09 0.00 0.00 40.66 40.89 2kgl h LEU 28 CO -0.01 0.00 0.41 0.25 0.09 0.00 0.00 178.44 179.17 2kgl h LEU 29 N 0.27 0.25 -1.16 1.67 5.85 -1.57 0.19 115.31 120.82 2kgl h LEU 29 Ca 0.35 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.01 2kgl h LEU 29 Cb 0.54 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 2kgl h LEU 29 CO -0.43 0.14 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.14 2kgl h GLU 30 N 0.27 0.00 -0.67 1.25 4.39 -0.72 -3.14 114.58 115.96 2kgl h GLU 30 Ca 0.28 0.00 0.13 0.00 0.34 0.00 0.00 59.36 60.12 2kgl h GLU 30 Cb 0.74 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.29 2kgl h GLU 30 CO -0.06 0.33 0.17 0.37 -1.16 0.00 0.00 179.01 178.66 2kgl h GLN 31 N 0.00 0.28 -0.75 2.33 4.15 -0.32 -0.11 115.11 120.69 2kgl h GLN 31 Ca -0.00 -0.02 0.11 0.00 0.77 0.00 0.00 58.65 59.51 2kgl h GLN 31 Cb 0.76 -0.06 -0.08 0.00 0.21 0.00 0.00 27.48 28.31 2kgl h GLN 31 CO 0.04 0.19 0.37 2.35 -1.93 0.00 0.00 178.83 179.85 2kgl h TRP 32 N 0.29 0.65 -0.02 3.99 7.01 -1.65 0.60 115.95 126.82 2kgl h TRP 32 Ca 0.37 0.03 -0.07 0.00 2.11 0.00 0.00 58.89 61.32 2kgl h TRP 32 Cb 0.58 -0.18 -0.01 0.00 -2.10 0.00 0.00 29.16 27.45 2kgl h TRP 32 CO -0.24 0.20 -0.34 1.49 -2.79 0.00 0.00 178.44 176.76 2kgl h GLU 33 N 0.59 0.03 0.00 2.65 4.22 -1.21 -2.36 114.58 118.50 2kgl h GLU 33 Ca 0.39 -0.01 -0.06 0.00 0.08 0.00 0.00 59.36 59.75 2kgl h GLU 33 Cb 0.47 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.71 2kgl h GLU 33 CO -0.31 0.37 -0.29 -0.22 -2.18 0.00 0.00 179.01 176.38 2kgl h LYS 34 N 0.03 0.00 -0.98 1.92 3.11 0.04 -2.81 116.57 117.88 2kgl h LYS 34 Ca 0.00 0.00 0.22 0.00 -2.81 0.00 0.00 60.65 58.06 2kgl h LYS 34 Cb 0.61 0.00 -0.12 0.00 -1.00 0.00 0.00 32.23 31.73 2kgl h LYS 34 CO 0.04 0.29 0.57 0.22 -2.81 0.00 0.00 179.45 177.77 2kgl h ASP 35 N 0.00 0.67 0.00 4.20 1.82 -0.78 0.54 116.42 122.86 2kgl h ASP 35 Ca -0.00 0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 2kgl h ASP 35 Cb 0.76 0.02 -0.02 0.00 0.68 0.00 0.00 39.33 40.78 2kgl h ASP 35 CO 0.04 0.15 -0.93 -0.67 -1.61 0.00 0.00 179.24 176.22 2kgl n ASP 36 N -4.87 1.84 0.19 2.28 -0.08 -1.17 -4.63 116.55 110.11 2kgl n ASP 36 Ca 0.25 0.52 -0.08 0.00 -1.51 0.00 0.00 54.79 53.97 2kgl n ASP 36 Cb 0.67 -0.89 -0.04 0.00 2.34 0.00 0.00 41.12 43.19 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 -1.00 -0.51 -5.63 1.67 3.58 -1.39 -3.47 116.42 109.67 2kgl h ASP 37 Ca -0.16 0.03 -0.18 0.00 0.42 0.00 0.00 57.03 57.13 2kgl h ASP 37 Cb 0.89 0.15 0.01 0.00 1.72 0.00 0.00 39.33 42.09 2kgl h ASP 37 CO -0.10 -0.32 -0.93 0.00 -2.88 0.00 0.00 179.24 175.00 2kgl n ILE 38 N -3.55 -2.50 -0.05 2.25 3.06 0.19 -4.95 119.36 113.81 2kgl n ILE 38 Ca -0.06 0.21 -0.04 0.00 -2.50 0.00 0.00 62.75 60.36 2kgl n ILE 38 Cb 0.21 -2.71 -0.01 0.00 0.54 0.00 0.00 39.64 37.67 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 0.43 0.29 -1.84 9.51 4.07 -1.26 -5.09 120.64 126.74 2kgl n GLU 39 Ca -0.04 0.19 0.00 0.00 -0.06 0.00 0.00 57.16 57.25 2kgl n GLU 39 Cb 0.50 -1.09 0.00 0.00 -0.06 0.00 0.00 31.44 30.79 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 -3.60 0.00 0.00 5.31 2.13 -1.26 -5.07 120.64 118.15 2kgl n GLU 40 Ca -0.07 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.75 2kgl n GLU 40 Cb 0.26 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.97 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 -0.99 3.27 8.31 0.00 -1.20 -4.29 105.19 110.29 2kgl n GLY 41 Ca 0.00 0.35 -0.33 0.00 0.00 0.00 0.00 46.02 46.04 2kgl n GLY 41 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2kgl n ASP 42 N 0.00 -2.58 -4.21 1.61 9.92 -1.26 -1.07 116.55 118.96 2kgl n ASP 42 Ca 0.00 0.04 -0.14 0.00 -0.53 0.00 0.00 54.79 54.16 2kgl n ASP 42 Cb 0.00 -0.97 -0.10 0.00 -0.64 0.00 0.00 41.12 39.40 2kgl n ASP 42 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 2kgl s LEU 43 N 0.25 2.48 -0.27 0.64 1.02 -1.26 -4.61 118.68 116.92 2kgl s LEU 43 Ca 0.53 -0.93 -0.29 0.00 0.02 0.00 0.00 54.13 53.46 2kgl s LEU 43 Cb -0.13 -0.29 -0.02 0.00 0.02 0.00 0.00 46.19 45.77 2kgl s LEU 43 CO 0.68 -0.32 1.65 -2.16 0.02 0.00 0.00 176.35 176.21 2kgl s PRO 44 N -3.37 3.64 -0.19 1.29 0.04 -1.26 -4.20 135.00 130.94 2kgl s PRO 44 Ca 0.11 1.52 -0.01 0.00 0.04 0.00 0.00 61.00 62.66 2kgl s PRO 44 Cb 0.01 -4.08 0.01 0.00 0.04 0.00 0.00 34.50 30.47 2kgl s PRO 44 CO -0.00 -1.49 0.03 -1.91 0.04 0.00 0.00 177.00 173.67 2kgl n GLU 45 N 7.93 -2.44 0.01 4.56 2.13 -1.26 -4.86 120.64 126.71 2kgl n GLU 45 Ca 0.20 2.09 0.07 0.00 0.66 0.00 0.00 57.16 60.18 2kgl n GLU 45 Cb 0.46 -3.87 0.31 0.00 0.27 0.00 0.00 31.44 28.61 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 -0.41 0.00 0.00 177.13 174.33 2kgl n HIS 46 N 0.57 0.06 -0.03 4.31 1.44 -1.26 -4.75 115.22 115.56 2kgl n HIS 46 Ca -0.05 0.02 0.00 0.00 -2.01 0.00 0.00 57.72 55.69 2kgl n HIS 46 Cb 0.07 -0.54 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 -1.56 -0.34 -2.23 -1.40 3.00 -1.26 -4.55 118.16 109.82 2kgl n LYS 47 Ca 0.03 0.00 -0.03 0.00 -0.00 0.00 0.00 58.31 58.31 2kgl n LYS 47 Cb 0.17 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.20 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.40 175.27 2kgl n ARG 48 N -0.90 -1.49 -1.16 1.64 0.00 -1.26 -4.98 116.66 108.50 2kgl n ARG 48 Ca 0.00 1.51 -0.29 0.00 -0.00 0.00 0.00 57.85 59.07 2kgl n ARG 48 Cb 0.00 -3.73 0.18 0.00 0.00 0.00 0.00 32.46 28.91 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgl s PRO 49 N -1.63 0.40 0.26 -0.14 0.04 -1.26 -4.85 135.00 127.82 2kgl s PRO 49 Ca 0.10 0.51 0.08 0.00 0.04 0.00 0.00 61.00 61.74 2kgl s PRO 49 Cb -0.03 -1.73 -0.04 0.00 0.04 0.00 0.00 34.50 32.74 2kgl s PRO 49 CO 0.43 -2.75 0.08 -1.12 0.04 0.00 0.00 177.00 173.68 2kgl s SER 50 N -3.45 4.96 0.26 6.66 0.01 -1.26 -4.97 113.70 115.91 2kgl s SER 50 Ca 0.65 -0.48 0.10 0.00 1.31 0.00 0.00 55.95 57.54 2kgl s SER 50 Cb -0.19 -1.08 -0.05 0.00 0.21 0.00 0.00 66.02 64.91 2kgl s SER 50 CO 0.58 -0.02 -0.16 0.00 0.41 0.00 0.00 173.24 174.04 2kgl s ALA 51 N -2.24 2.51 -0.26 1.44 0.00 -1.26 -4.54 121.76 117.40 2kgl s ALA 51 Ca 0.32 -1.83 -0.29 0.00 0.00 0.00 0.00 51.96 50.16 2kgl s ALA 51 Cb -0.07 -0.16 -0.02 0.00 0.00 0.00 0.00 23.12 22.87 2kgl s ALA 51 CO 0.22 0.17 1.64 -1.25 0.00 0.00 0.00 175.76 176.54 2kgl s PRO 52 N -3.58 3.68 0.00 0.00 0.04 -1.23 -4.81 135.00 129.10 2kgl s PRO 52 Ca 0.28 1.55 0.15 0.00 0.04 0.00 0.00 61.00 63.02 2kgl s PRO 52 Cb -0.02 -4.07 0.25 0.00 0.04 0.00 0.00 34.50 30.70 2kgl s PRO 52 CO 0.12 -1.44 1.07 0.44 0.04 0.00 0.00 177.00 177.23 2kgl n ILE 53 N 6.69 0.00 -1.93 0.56 -5.35 -1.26 -4.92 119.36 113.15 2kgl n ILE 53 Ca 0.19 -0.58 -0.30 0.00 -0.27 0.00 0.00 62.75 61.80 2kgl n ILE 53 Cb 0.46 0.76 0.21 0.00 -1.74 0.00 0.00 39.64 39.33 2kgl n ILE 53 CO 0.00 0.00 0.00 0.47 -1.76 0.00 0.00 176.55 175.26 2kgl n ASP 54 N 0.29 0.10 -0.04 7.28 8.00 -1.26 -5.03 116.55 125.88 2kgl n ASP 54 Ca -0.01 -1.48 -0.21 0.00 0.71 0.00 0.00 54.79 53.80 2kgl n ASP 54 Cb 0.95 -1.03 -0.13 0.00 -0.02 0.00 0.00 41.12 40.90 2kgl n ASP 54 CO 0.00 0.00 0.00 -0.26 -0.39 0.00 0.00 177.20 176.55 2kgl h PHE 55 N -1.78 0.25 -5.13 1.24 -1.00 -1.95 -3.50 116.94 105.07 2kgl h PHE 55 Ca -0.43 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.17 2kgl h PHE 55 Cb 1.19 -0.01 0.00 0.00 3.61 0.00 0.00 35.95 40.74 2kgl h PHE 55 CO 0.00 1.58 -0.18 0.43 -1.61 0.00 0.00 178.31 178.53 2kgl n SER 56 N -4.04 -7.36 -2.67 2.17 7.64 -1.26 -5.01 113.62 103.09 2kgl n SER 56 Ca -0.30 0.16 -0.03 0.00 1.01 0.00 0.00 58.87 59.71 2kgl n SER 56 Cb 0.84 -4.97 0.11 0.00 -1.01 0.00 0.00 64.21 59.18 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 57 N -1.15 0.21 0.00 1.43 4.81 -1.26 -5.08 118.16 117.12 2kgl n LYS 57 Ca 0.04 -0.79 0.00 0.00 -0.87 0.00 0.00 58.31 56.69 2kgl n LYS 57 Cb 0.47 -0.21 0.00 0.00 0.02 0.00 0.00 35.03 35.31 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 0.47 0.70 -4.72 3.14 7.94 -1.26 -5.02 117.00 118.24 2kgl n LEU 58 Ca -0.05 0.13 -0.23 0.00 -1.11 0.00 0.00 56.01 54.76 2kgl n LEU 58 Cb 0.76 -0.27 -0.06 0.00 0.53 0.00 0.00 43.42 44.38 2kgl n LEU 58 CO -0.10 -0.27 -0.25 -1.81 -1.11 0.00 0.00 177.39 173.85 2kgl s ASP 59 N -2.33 4.95 0.00 1.96 1.01 -1.26 -5.01 116.67 115.99 2kgl s ASP 59 Ca 0.00 -0.50 0.14 0.00 0.71 0.00 0.00 52.55 52.91 2kgl s ASP 59 Cb 0.00 -1.06 0.66 0.00 1.01 0.00 0.00 42.92 43.53 2kgl s ASP 59 CO 0.00 -0.04 1.44 -0.81 0.21 0.00 0.00 175.17 175.97 2kgl n PRO 60 N -1.03 0.08 -0.18 8.23 -0.04 -1.26 -4.79 135.00 136.01 2kgl n PRO 60 Ca -0.07 0.22 -0.07 0.00 -0.04 0.00 0.00 63.50 63.54 2kgl n PRO 60 Cb 0.59 -1.50 0.06 0.00 -0.04 0.00 0.00 33.50 32.61 2kgl n PRO 60 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 61 N -0.03 -2.95 2.67 0.55 0.00 -1.26 -5.06 105.19 99.11 2kgl n GLY 61 Ca 0.05 -1.39 -0.04 0.00 0.00 0.00 0.00 46.02 44.64 2kgl n GLY 61 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2kgl n LYS 62 N -2.49 0.15 -2.14 1.61 4.81 -1.26 -5.09 118.16 113.75 2kgl n LYS 62 Ca 0.03 -0.79 -0.43 0.00 -0.87 0.00 0.00 58.31 56.25 2kgl n LYS 62 Cb 0.14 -0.15 -0.03 0.00 0.02 0.00 0.00 35.03 35.02 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 2kgl s PRO 63 N 0.51 4.00 0.44 1.64 0.04 -1.26 -4.89 135.00 135.48 2kgl s PRO 63 Ca 0.25 1.83 0.23 0.00 0.04 0.00 0.00 61.00 63.36 2kgl s PRO 63 Cb 0.17 -3.97 0.35 0.00 0.04 0.00 0.00 34.50 31.09 2kgl s PRO 63 CO -0.10 -1.04 1.61 1.05 0.04 0.00 0.00 177.00 178.57 2kgl h GLU 64 N 9.86 0.00 -0.76 4.56 4.11 -2.01 -3.26 114.58 127.07 2kgl h GLU 64 Ca -0.34 0.00 0.22 0.00 0.07 0.00 0.00 59.36 59.31 2kgl h GLU 64 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2kgl h GLU 64 CO 0.98 0.00 0.57 0.77 0.07 0.00 0.00 179.01 181.40 2kgl h SER 65 N 0.00 0.00 -0.26 3.06 0.02 -1.93 0.23 113.55 114.67 2kgl h SER 65 Ca 0.00 0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.03 2kgl h SER 65 Cb 1.00 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.53 2kgl h SER 65 CO 0.00 0.00 0.28 0.40 -1.14 0.00 0.00 176.83 176.37 2kgl h ILE 66 N 0.00 0.46 0.00 3.27 2.04 -1.98 0.24 117.51 121.54 2kgl h ILE 66 Ca 0.36 0.00 -0.06 0.00 1.00 0.00 0.00 64.86 66.16 2kgl h ILE 66 Cb 1.49 0.78 -0.01 0.00 -0.74 0.00 0.00 36.82 38.34 2kgl h ILE 66 CO -0.00 0.00 -0.29 -0.07 0.00 0.00 0.00 178.15 177.79 2kgl h LEU 67 N 0.00 0.00 -2.11 1.44 3.38 -0.80 -2.85 115.31 114.38 2kgl h LEU 67 Ca 0.12 0.00 0.08 0.00 0.09 0.00 0.00 57.88 58.18 2kgl h LEU 67 Cb 0.68 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 2kgl h LEU 67 CO -0.00 0.29 0.30 0.50 0.09 0.00 0.00 178.44 179.61 2kgl h LYS 68 N 0.00 0.00 0.00 1.13 3.11 -0.66 0.15 116.57 120.31 2kgl h LYS 68 Ca -0.00 0.00 -0.00 0.00 -2.81 0.00 0.00 60.65 57.84 2kgl h LYS 68 Cb 0.72 0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.95 2kgl h LYS 68 CO 0.04 0.00 -0.00 0.52 -2.81 0.00 0.00 179.45 177.20 2kgl h MET 69 N 0.00 0.00 -3.37 1.90 0.00 -1.65 -3.44 114.93 108.38 2kgl h MET 69 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 59.70 59.53 2kgl h MET 69 Cb 0.74 0.00 0.04 0.00 0.00 0.00 0.00 31.60 32.38 2kgl h MET 69 CO -0.00 0.00 -0.46 2.41 0.00 0.00 0.00 176.91 178.86 2kgl n THR 70 N -3.09 -1.45 -2.27 2.22 -1.04 0.54 -4.37 114.28 104.81 2kgl n THR 70 Ca -0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 61.96 2kgl n THR 70 Cb 0.08 -2.85 -0.02 0.00 -1.82 0.00 0.00 70.33 65.72 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 -3.17 -4.18 -0.02 -2.82 4.81 -1.26 -4.70 118.16 106.83 2kgl n LYS 71 Ca -0.10 3.16 -0.10 0.00 -0.87 0.00 0.00 58.31 60.40 2kgl n LYS 71 Cb 0.60 -4.26 -0.04 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 3.54 -0.35 0.00 1.64 3.11 -1.91 -3.47 116.57 119.13 2kgl h LYS 72 Ca -0.23 0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.63 2kgl h LYS 72 Cb 0.53 0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.83 2kgl h LYS 72 CO 0.00 -0.23 0.00 0.41 -2.81 0.00 0.00 179.45 176.82 2kgl n GLY 73 N -1.41 2.90 3.26 5.01 0.00 -1.26 -5.01 105.19 108.68 2kgl n GLY 73 Ca -0.02 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 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 -0.57 0.55 0.02 1.61 0.00 -1.26 -2.52 119.74 117.58 2kgl s LYS 74 Ca 0.00 0.20 -0.00 0.00 0.00 0.00 0.00 55.97 56.17 2kgl s LYS 74 Cb 0.00 0.26 0.00 0.00 0.00 0.00 0.00 37.83 38.09 2kgl s LYS 74 CO 0.00 -0.12 0.03 -2.37 0.00 0.00 0.00 175.35 172.89 2kgl n THR 75 N 2.13 0.00 -3.86 3.79 5.66 -1.25 -4.66 114.28 116.09 2kgl n THR 75 Ca -0.17 -0.03 -0.12 0.00 -3.05 0.00 0.00 64.05 60.69 2kgl n THR 75 Cb 0.57 -1.76 -0.12 0.00 -1.55 0.00 0.00 70.33 67.47 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 1.71 -0.30 1.09 0.05 -1.26 -4.58 118.68 115.38 2kgl s LEU 76 Ca 0.02 0.04 -0.08 0.00 0.05 0.00 0.00 54.13 54.16 2kgl s LEU 76 Cb -0.00 0.34 0.15 0.00 -2.05 0.00 0.00 46.19 44.63 2kgl s LEU 76 CO 0.01 -0.11 0.67 0.00 -0.55 0.00 0.00 176.35 176.37 2kgl s MET 77 N -0.35 0.55 -0.09 1.48 0.23 -1.22 -3.17 119.30 116.73 2kgl s MET 77 Ca -0.04 1.29 -0.07 0.00 -1.03 0.00 0.00 55.69 55.83 2kgl s MET 77 Cb -0.03 0.76 0.03 0.00 -1.53 0.00 0.00 34.83 34.06 2kgl s MET 77 CO 0.00 -0.28 0.22 -1.64 -2.03 0.00 0.00 175.02 171.29 2kgl s MET 78 N 2.86 0.25 -0.11 3.16 -1.94 -0.44 -2.12 119.30 120.94 2kgl s MET 78 Ca 0.00 0.34 -0.04 0.00 -1.71 0.00 0.00 55.69 54.29 2kgl s MET 78 Cb -0.12 0.08 0.06 0.00 2.01 0.00 0.00 34.83 36.86 2kgl s MET 78 CO -0.19 -0.05 0.18 -0.06 -0.01 0.00 0.00 175.02 174.89 2kgl s PHE 79 N 0.30 -0.22 -0.16 -0.03 0.08 -0.71 -1.94 117.98 115.31 2kgl s PHE 79 Ca -0.02 0.57 -0.09 0.00 0.12 0.00 0.00 56.93 57.51 2kgl s PHE 79 Cb -0.03 -0.26 0.05 0.00 -0.57 0.00 0.00 43.02 42.21 2kgl s PHE 79 CO -0.01 -0.35 0.39 0.54 -0.10 0.00 0.00 175.22 175.69 2kgl s VAL 80 N 2.31 -0.02 -0.73 -0.44 0.11 -1.13 -1.21 120.40 119.29 2kgl s VAL 80 Ca 0.03 0.09 0.04 0.00 -2.93 0.00 0.00 61.98 59.21 2kgl s VAL 80 Cb -0.13 -0.57 0.27 0.00 -1.53 0.00 0.00 36.38 34.42 2kgl s VAL 80 CO -0.07 0.04 0.91 1.07 -3.33 0.00 0.00 175.10 173.72 2kgl n THR 81 N 4.07 3.03 -3.45 5.04 5.66 0.10 -2.32 114.28 126.42 2kgl n THR 81 Ca -0.22 -5.39 -0.13 0.00 -3.05 0.00 0.00 64.05 55.25 2kgl n THR 81 Cb 0.55 -2.05 -0.03 0.00 -1.55 0.00 0.00 70.33 67.25 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 -2.68 0.00 0.00 1.08 0.11 0.60 -2.56 120.40 116.96 2kgl s VAL 82 Ca 0.39 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.44 2kgl s VAL 82 Cb 0.14 -1.00 0.00 0.00 -1.53 0.00 0.00 36.38 33.99 2kgl s VAL 82 CO 0.00 0.00 0.40 -1.54 -3.33 0.00 0.00 175.10 170.64 2kgl n SER 83 N -0.10 0.00 -0.97 3.54 3.41 -1.25 -3.22 113.62 115.04 2kgl n SER 83 Ca -0.17 0.40 0.00 0.00 -0.26 0.00 0.00 58.87 58.85 2kgl n SER 83 Cb 0.63 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 2kgl n SER 83 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2kgl n GLY 84 N -0.87 5.43 0.00 5.00 0.00 -1.25 -3.98 105.19 109.53 2kgl n GLY 84 Ca 0.00 -2.11 0.00 0.00 0.00 0.00 0.00 46.02 43.91 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -0.64 0.00 -3.72 1.61 4.05 -1.26 -4.85 115.26 110.45 2kgl n ASN 85 Ca 0.00 0.00 -0.42 0.00 0.45 0.00 0.00 54.58 54.61 2kgl n ASN 85 Cb 0.00 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 40.95 2kgl n ASN 85 CO 0.00 0.00 0.00 -0.81 -3.05 0.00 0.00 177.26 173.40 2kgl n PRO 86 N -0.03 1.41 -0.66 1.20 -0.04 -1.26 -3.78 135.00 131.84 2kgl n PRO 86 Ca 0.00 -1.86 -0.02 0.00 -0.04 0.00 0.00 63.50 61.58 2kgl n PRO 86 Cb 0.00 -2.98 -0.02 0.00 -0.04 0.00 0.00 33.50 30.45 2kgl n PRO 86 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 2kgl n THR 87 N 6.27 0.00 -0.25 0.52 -2.24 -1.26 -4.68 114.28 112.64 2kgl n THR 87 Ca 0.49 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.32 2kgl n THR 87 Cb 0.41 0.17 0.18 0.00 -2.10 0.00 0.00 70.33 69.00 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 0.00 0.41 -0.02 -0.78 -0.00 -1.93 0.22 114.58 112.47 2kgl h GLU 88 Ca -0.20 -0.02 -0.07 0.00 -0.00 0.00 0.00 59.36 59.06 2kgl h GLU 88 Cb 1.11 -0.09 -0.01 0.00 -0.00 0.00 0.00 28.75 29.76 2kgl h GLU 88 CO -0.10 0.27 -0.33 -0.22 -0.00 0.00 0.00 179.01 178.63 2kgl h LYS 89 N 0.42 0.03 -0.32 1.06 3.11 -1.94 -2.89 116.57 116.05 2kgl h LYS 89 Ca 0.41 -0.01 -0.14 0.00 -2.81 0.00 0.00 60.65 58.10 2kgl h LYS 89 Cb 0.62 -0.00 -0.00 0.00 -1.00 0.00 0.00 32.23 31.85 2kgl h LYS 89 CO -0.41 0.37 -0.35 1.49 -2.81 0.00 0.00 179.45 177.73 2kgl h GLU 90 N 0.03 0.80 -0.77 1.90 4.57 -1.03 -3.12 114.58 116.96 2kgl h GLU 90 Ca 0.00 -0.44 0.09 0.00 -1.18 0.00 0.00 59.36 57.84 2kgl h GLU 90 Cb 0.61 0.02 -0.07 0.00 -0.16 0.00 0.00 28.75 29.15 2kgl h GLU 90 CO 0.04 1.07 0.42 1.79 -1.18 0.00 0.00 179.01 181.15 2kgl h THR 91 N 0.57 0.88 0.00 0.32 1.35 -0.93 0.57 112.91 115.67 2kgl h THR 91 Ca 0.05 -0.24 -0.03 0.00 -0.55 0.00 0.00 66.41 65.63 2kgl h THR 91 Cb 0.94 0.12 -0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2kgl h THR 91 CO 0.09 0.13 -0.16 -0.08 -0.25 0.00 0.00 175.52 175.24 2kgl h GLU 92 N 0.71 0.00 0.00 4.72 4.81 -1.51 -1.67 114.58 121.64 2kgl h GLU 92 Ca 0.37 0.00 -0.06 0.00 -0.13 0.00 0.00 59.36 59.55 2kgl h GLU 92 Cb 0.36 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.73 2kgl h GLU 92 CO -0.25 0.16 -0.33 0.93 -0.73 0.00 0.00 179.01 178.79 2kgl h GLU 93 N 0.00 0.00 -1.08 1.92 5.08 -0.88 -3.28 114.58 116.34 2kgl h GLU 93 Ca -0.00 0.00 0.30 0.00 -1.00 0.00 0.00 59.36 58.66 2kgl h GLU 93 Cb 0.31 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.50 2kgl h GLU 93 CO 0.02 0.26 0.76 0.82 -1.00 0.00 0.00 179.01 179.87 2kgl h ILE 94 N 0.00 0.47 -0.56 3.13 1.08 -0.20 0.20 117.51 121.63 2kgl h ILE 94 Ca -0.01 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.40 2kgl h ILE 94 Cb 1.21 0.36 -0.03 0.00 -3.07 0.00 0.00 36.82 35.30 2kgl h ILE 94 CO 0.03 0.02 0.25 0.00 -0.69 0.00 0.00 178.15 177.76 2kgl h THR 95 N 0.10 1.21 -0.24 -0.27 1.03 -1.71 0.31 112.91 113.35 2kgl h THR 95 Ca 0.54 -0.63 -0.01 0.00 -0.01 0.00 0.00 66.41 66.29 2kgl h THR 95 Cb 1.94 0.58 -0.01 0.00 -1.07 0.00 0.00 68.15 69.59 2kgl h THR 95 CO -0.08 0.25 0.09 0.28 -0.01 0.00 0.00 175.52 176.05 2kgl h SER 96 N 0.77 0.33 0.52 0.00 0.02 -0.83 -2.78 113.55 111.58 2kgl h SER 96 Ca 0.19 -0.17 -0.10 0.00 -0.84 0.00 0.00 61.79 60.87 2kgl h SER 96 Cb 0.15 -0.09 -0.01 0.00 0.14 0.00 0.00 62.40 62.59 2kgl h SER 96 CO -0.02 0.41 -0.50 -0.07 -1.14 0.00 0.00 176.83 175.51 2kgl h LEU 97 N 0.23 0.00 -1.29 5.07 3.38 -1.35 -3.03 115.31 118.32 2kgl h LEU 97 Ca 0.08 0.00 0.21 0.00 0.09 0.00 0.00 57.88 58.25 2kgl h LEU 97 Cb 0.19 0.00 -0.09 0.00 0.09 0.00 0.00 40.66 40.85 2kgl h LEU 97 CO -0.01 0.50 0.62 -0.25 0.09 0.00 0.00 178.44 179.39 2kgl h TRP 98 N 0.00 0.77 -0.99 1.13 2.91 -0.09 0.73 115.95 120.42 2kgl h TRP 98 Ca -0.00 0.02 0.21 0.00 1.13 0.00 0.00 58.89 60.25 2kgl h TRP 98 Cb 0.89 -0.23 -0.10 0.00 -0.51 0.00 0.00 29.16 29.21 2kgl h TRP 98 CO 0.00 0.18 0.62 1.96 -1.03 0.00 0.00 178.44 180.16 2kgl h GLN 99 N 0.56 0.61 0.31 2.65 1.08 -1.53 0.28 115.11 119.07 2kgl h GLN 99 Ca 0.53 -0.04 -0.02 0.00 -1.45 0.00 0.00 58.65 57.68 2kgl h GLN 99 Cb 1.10 -0.14 0.00 0.00 -0.05 0.00 0.00 27.48 28.39 2kgl h GLN 99 CO -0.27 0.41 -0.15 0.78 -0.95 0.00 0.00 178.83 178.64 2kgl h GLY 100 N 0.63 -0.44 1.74 3.46 0.00 -1.05 -3.01 103.07 104.41 2kgl h GLY 100 Ca 0.57 0.16 0.04 0.00 0.00 0.00 0.00 47.33 48.10 2kgl h GLY 100 CO -0.34 -0.16 0.09 1.48 0.00 0.00 0.00 176.54 177.61 2kgl h SER 101 N -0.94 0.00 -0.10 0.19 4.64 -1.37 -0.84 113.55 115.14 2kgl h SER 101 Ca -0.04 0.00 -0.07 0.00 -0.47 0.00 0.00 61.79 61.21 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 0.07 0.00 -0.12 0.25 -0.87 0.00 0.00 176.83 176.16 2kgl h LEU 102 N 0.00 0.41 -1.39 5.97 5.85 -0.46 -2.64 115.31 123.04 2kgl h LEU 102 Ca 0.06 -0.10 0.15 0.00 0.84 0.00 0.00 57.88 58.83 2kgl h LEU 102 Cb 0.25 -0.11 -0.06 0.00 0.37 0.00 0.00 40.66 41.10 2kgl h LEU 102 CO -0.00 0.57 0.56 0.15 -0.34 0.00 0.00 178.44 179.38 2kgl h PHE 103 N 0.40 0.69 -0.06 1.25 3.04 -1.00 0.24 116.94 121.50 2kgl h PHE 103 Ca 0.08 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.07 2kgl h PHE 103 Cb 0.46 -0.22 -0.00 0.00 2.56 0.00 0.00 35.95 38.75 2kgl h PHE 103 CO 0.01 0.25 0.13 -0.97 -2.02 0.00 0.00 178.31 175.71 2kgl h ASN 104 N 0.58 0.00 -0.28 0.41 -0.00 -1.57 -3.45 115.58 111.28 2kgl h ASN 104 Ca 0.43 0.00 -0.12 0.00 -0.00 0.00 0.00 56.30 56.61 2kgl h ASN 104 Cb 0.82 0.00 -0.05 0.00 -0.00 0.00 0.00 38.32 39.09 2kgl h ASN 104 CO -0.18 0.00 -0.11 0.00 -0.00 0.00 0.00 177.43 177.14 2kgl n ALA 105 N -2.17 -0.09 -2.15 1.57 0.00 0.85 -4.20 120.51 114.33 2kgl n ALA 105 Ca -0.01 0.09 -0.01 0.00 0.00 0.00 0.00 53.44 53.51 2kgl n ALA 105 Cb 0.22 -1.33 -0.02 0.00 0.00 0.00 0.00 19.45 18.32 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.67 -0.04 -4.26 0.00 2.85 -1.26 -4.40 115.26 107.48 2kgl n ASN 106 Ca -0.06 -1.80 -0.33 0.00 -0.11 0.00 0.00 54.58 52.28 2kgl n ASN 106 Cb 0.43 -0.02 0.16 0.00 1.24 0.00 0.00 39.78 41.58 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 2kgl n TYR 107 N 0.15 -1.45 -3.89 1.20 0.18 -1.26 -4.00 117.16 108.09 2kgl n TYR 107 Ca -0.07 0.18 -0.26 0.00 1.88 0.00 0.00 57.90 59.63 2kgl n TYR 107 Cb 0.79 -1.56 -0.17 0.00 -0.38 0.00 0.00 39.34 38.02 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 -1.78 2.11 -0.11 9.48 -1.08 -1.18 -4.79 116.67 119.32 2kgl s ASP 108 Ca 0.54 -0.28 -0.09 0.00 -0.52 0.00 0.00 52.55 52.21 2kgl s ASP 108 Cb -0.11 -0.79 0.03 0.00 -1.46 0.00 0.00 42.92 40.59 2kgl s ASP 108 CO 0.66 -0.13 0.28 0.54 0.52 0.00 0.00 175.17 177.05 2kgl s VAL 109 N 1.74 -0.01 -0.16 1.11 0.11 -1.26 -2.63 120.40 119.31 2kgl s VAL 109 Ca 0.05 0.03 -0.07 0.00 -2.93 0.00 0.00 61.98 59.06 2kgl s VAL 109 Cb -0.12 -0.41 0.07 0.00 -1.53 0.00 0.00 36.38 34.38 2kgl s VAL 109 CO -0.08 0.01 0.36 -1.10 -3.33 0.00 0.00 175.10 170.96 2kgl s GLN 110 N 0.43 0.30 -0.18 1.54 -0.21 -1.01 -4.77 119.66 115.76 2kgl s GLN 110 Ca -0.02 0.80 0.01 0.00 0.02 0.00 0.00 55.36 56.17 2kgl s GLN 110 Cb -0.04 0.05 0.02 0.00 1.00 0.00 0.00 33.01 34.04 2kgl s GLN 110 CO -0.02 -0.21 -0.20 -0.98 -2.12 0.00 0.00 175.29 171.77 2kgl s ARG 111 N 1.87 3.00 0.00 2.91 1.70 -0.47 -2.82 118.95 125.14 2kgl s ARG 111 Ca -0.06 -0.83 -0.01 0.00 -0.47 0.00 0.00 55.73 54.36 2kgl s ARG 111 Cb -0.10 -2.57 -0.01 0.00 -0.57 0.00 0.00 34.95 31.70 2kgl s ARG 111 CO -0.11 -0.20 0.02 0.12 -1.08 0.00 0.00 175.30 174.05 2kgl s PHE 112 N 1.26 0.09 -0.02 5.89 5.36 -1.08 -3.94 117.98 125.55 2kgl s PHE 112 Ca 0.04 -0.19 0.04 0.00 -0.96 0.00 0.00 56.93 55.86 2kgl s PHE 112 Cb -0.13 -0.08 -0.01 0.00 -0.34 0.00 0.00 43.02 42.46 2kgl s PHE 112 CO -0.12 -0.12 -0.13 -1.50 -1.46 0.00 0.00 175.22 171.89 2kgl s ILE 113 N -0.74 1.04 -0.09 3.12 2.07 -1.26 -1.71 121.20 123.63 2kgl s ILE 113 Ca -0.08 -0.54 -0.01 0.00 -1.41 0.00 0.00 60.65 58.61 2kgl s ILE 113 Cb -0.05 -0.88 0.03 0.00 0.13 0.00 0.00 42.46 41.69 2kgl s ILE 113 CO -0.00 0.30 -0.02 -0.69 -1.91 0.00 0.00 174.94 172.61 2kgl s VAL 114 N -0.17 0.59 0.00 4.00 1.01 -0.94 -5.02 120.40 119.87 2kgl s VAL 114 Ca 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 61.98 61.98 2kgl s VAL 114 Cb -0.07 -0.71 0.00 0.00 0.00 0.00 0.00 36.38 35.60 2kgl s VAL 114 CO -0.00 0.28 0.00 0.61 0.00 0.00 0.00 175.10 175.99 2kgl n GLY 115 N 5.08 0.35 0.00 4.51 0.00 -1.26 -0.10 105.19 113.78 2kgl n GLY 115 Ca -0.09 0.69 0.00 0.00 0.00 0.00 0.00 46.02 46.62 2kgl n GLY 115 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 116 N 6.93 0.74 -4.98 1.61 7.64 -1.26 -5.05 113.62 119.25 2kgl n SER 116 Ca 0.00 -0.87 -0.20 0.00 1.01 0.00 0.00 58.87 58.81 2kgl n SER 116 Cb 0.00 0.25 0.02 0.00 -1.01 0.00 0.00 64.21 63.47 2kgl n SER 116 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 2kgl s ASP 117 N -0.25 5.47 -0.07 6.43 1.01 0.86 -4.42 116.67 125.71 2kgl s ASP 117 Ca 0.00 -0.12 -0.14 0.00 0.71 0.00 0.00 52.55 52.99 2kgl s ASP 117 Cb 0.00 -0.88 0.03 0.00 1.01 0.00 0.00 42.92 43.08 2kgl s ASP 117 CO 0.00 -0.95 0.34 -0.60 0.21 0.00 0.00 175.17 174.17 2kgl s ARG 118 N -4.59 0.56 -0.07 8.23 3.52 -1.20 -2.21 118.95 123.19 2kgl s ARG 118 Ca 0.55 0.14 -0.00 0.00 -0.13 0.00 0.00 55.73 56.29 2kgl s ARG 118 Cb -0.10 0.26 0.03 0.00 -1.56 0.00 0.00 34.95 33.57 2kgl s ARG 118 CO 0.36 -0.12 -0.03 0.00 -0.81 0.00 0.00 175.30 174.70 2kgl s ALA 119 N -0.62 0.85 -0.06 6.12 0.00 -0.69 -0.29 121.76 127.06 2kgl s ALA 119 Ca -0.07 -0.21 0.02 0.00 0.00 0.00 0.00 51.96 51.70 2kgl s ALA 119 Cb -0.04 -0.69 0.02 0.00 0.00 0.00 0.00 23.12 22.41 2kgl s ALA 119 CO 0.03 -0.31 -0.11 -1.50 0.00 0.00 0.00 175.76 173.87 2kgl s ILE 120 N 1.59 1.02 -0.06 0.00 2.07 -0.98 -2.63 121.20 122.21 2kgl s ILE 120 Ca 0.00 -0.40 0.02 0.00 -1.41 0.00 0.00 60.65 58.85 2kgl s ILE 120 Cb -0.13 -0.95 0.02 0.00 0.13 0.00 0.00 42.46 41.53 2kgl s ILE 120 CO -0.04 0.33 -0.10 0.12 -1.91 0.00 0.00 174.94 173.33 2kgl s PHE 121 N 0.74 1.30 -0.16 3.50 2.19 -1.13 -2.85 117.98 121.58 2kgl s PHE 121 Ca -0.13 -0.47 -0.07 0.00 0.33 0.00 0.00 56.93 56.59 2kgl s PHE 121 Cb -0.15 -0.98 0.06 0.00 -1.31 0.00 0.00 43.02 40.64 2kgl s PHE 121 CO 0.03 -0.26 0.36 0.00 1.83 0.00 0.00 175.22 177.17 2kgl s MET 122 N 0.73 0.30 -0.05 10.12 0.23 -0.82 -2.41 119.30 127.40 2kgl s MET 122 Ca -0.14 0.78 -0.15 0.00 -1.03 0.00 0.00 55.69 55.15 2kgl s MET 122 Cb -0.15 0.02 0.03 0.00 -1.53 0.00 0.00 34.83 33.20 2kgl s MET 122 CO 0.03 -0.20 0.34 -1.17 -2.03 0.00 0.00 175.02 171.99 2kgl s LEU 123 N 1.76 0.74 0.50 0.18 0.20 -1.08 -1.33 118.68 119.64 2kgl s LEU 123 Ca -0.06 0.28 0.20 0.00 0.69 0.00 0.00 54.13 55.23 2kgl s LEU 123 Cb -0.10 1.31 1.26 0.00 -0.43 0.00 0.00 46.19 48.22 2kgl s LEU 123 CO -0.11 -0.37 2.03 0.08 -0.29 0.00 0.00 176.35 177.69 2kgl h ARG 124 N 4.28 0.12 -7.45 1.98 0.11 -1.88 -3.13 114.38 108.41 2kgl h ARG 124 Ca -0.29 -0.01 -0.47 0.00 0.10 0.00 0.00 59.98 59.32 2kgl h ARG 124 Cb 1.18 -0.03 0.09 0.00 1.11 0.00 0.00 29.97 32.32 2kgl h ARG 124 CO 0.37 0.08 0.33 -0.51 0.10 0.00 0.00 179.97 180.33 2kgl s ASP 125 N -6.45 4.80 0.00 0.08 1.01 -1.26 -4.54 116.67 110.31 2kgl s ASP 125 Ca -0.06 0.69 0.00 0.00 0.71 0.00 0.00 52.55 53.90 2kgl s ASP 125 Cb 0.19 -1.31 0.00 0.00 1.01 0.00 0.00 42.92 42.81 2kgl s ASP 125 CO 0.72 -1.67 0.00 0.61 0.21 0.00 0.00 175.17 175.04 2kgl n GLY 126 N -3.09 0.06 0.44 0.21 0.00 -1.26 -3.29 105.19 98.27 2kgl n GLY 126 Ca 0.08 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.35 2kgl n GLY 126 CO 0.00 0.00 0.00 0.23 0.00 0.00 0.00 173.32 173.55 2kgl h SER 127 N 0.00 0.02 -0.09 1.61 0.87 -1.95 0.19 113.55 114.20 2kgl h SER 127 Ca 0.00 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.52 2kgl h SER 127 Cb 0.00 -0.00 -0.00 0.00 -0.44 0.00 0.00 62.40 61.96 2kgl h SER 127 CO 0.00 0.01 -0.10 0.22 -0.53 0.00 0.00 176.83 176.42 2kgl h TYR 128 N 0.02 0.28 -0.09 2.24 3.20 -2.00 -2.96 116.97 117.66 2kgl h TYR 128 Ca 0.38 -0.09 -0.12 0.00 3.14 0.00 0.00 58.73 62.04 2kgl h TYR 128 Cb 1.49 -0.06 -0.01 0.00 1.54 0.00 0.00 36.73 39.69 2kgl h TYR 128 CO -0.00 0.67 -0.49 0.00 -1.64 0.00 0.00 178.16 176.70 2kgl h ALA 129 N 0.56 1.01 -0.08 1.82 0.00 -1.26 -3.06 119.26 118.25 2kgl h ALA 129 Ca 0.01 -0.47 0.02 0.00 0.00 0.00 0.00 54.91 54.48 2kgl h ALA 129 Cb 0.63 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 2kgl h ALA 129 CO 0.02 0.65 -0.04 -1.49 0.00 0.00 0.00 179.25 178.39 2kgl h TRP 130 N 0.18 -0.09 0.59 0.00 -0.00 -0.70 0.25 115.95 116.18 2kgl h TRP 130 Ca 0.01 0.01 -0.03 0.00 -0.00 0.00 0.00 58.89 58.88 2kgl h TRP 130 Cb 0.93 0.05 -0.00 0.00 -0.00 0.00 0.00 29.16 30.14 2kgl h TRP 130 CO 0.02 -0.06 -0.32 1.49 -0.00 0.00 0.00 178.44 179.56 2kgl h GLU 131 N -0.03 -0.82 -0.20 0.49 4.81 -1.50 -2.40 114.58 114.93 2kgl h GLU 131 Ca 0.05 0.06 0.06 0.00 -0.13 0.00 0.00 59.36 59.39 2kgl h GLU 131 Cb 0.10 0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.66 2kgl h GLU 131 CO -0.11 -0.55 0.14 0.82 -0.73 0.00 0.00 179.01 178.59 2kgl h ILE 132 N -0.85 0.88 0.14 2.32 1.08 -1.44 -2.87 117.51 116.78 2kgl h ILE 132 Ca -0.08 0.00 0.01 0.00 -0.39 0.00 0.00 64.86 64.40 2kgl h ILE 132 Cb 0.67 0.90 -0.03 0.00 -3.07 0.00 0.00 36.82 35.29 2kgl h ILE 132 CO 0.10 0.00 -0.41 0.50 -0.69 0.00 0.00 178.15 177.65 2kgl h LYS 133 N 0.00 -0.60 -0.96 2.37 3.11 0.03 0.27 116.57 120.79 2kgl h LYS 133 Ca 0.09 0.04 0.17 0.00 -2.81 0.00 0.00 60.65 58.15 2kgl h LYS 133 Cb 0.38 0.14 -0.09 0.00 -1.00 0.00 0.00 32.23 31.66 2kgl h LYS 133 CO -0.00 -0.40 0.61 -0.44 -2.81 0.00 0.00 179.45 176.41 2kgl h ASP 134 N -0.62 0.71 0.40 4.20 5.19 -1.45 0.24 116.42 125.09 2kgl h ASP 134 Ca -0.01 0.07 -0.08 0.00 -0.62 0.00 0.00 57.03 56.38 2kgl h ASP 134 Cb 0.61 -0.07 -0.01 0.00 0.18 0.00 0.00 39.33 40.04 2kgl h ASP 134 CO -0.20 0.30 -0.40 0.15 -3.12 0.00 0.00 179.24 175.98 2kgl h PHE 135 N 0.72 0.00 0.38 4.55 3.57 -1.25 -3.13 116.94 121.78 2kgl h PHE 135 Ca 0.52 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 62.00 2kgl h PHE 135 Cb 0.85 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 39.59 2kgl h PHE 135 CO -0.00 0.40 -0.28 1.25 -2.23 0.00 0.00 178.31 177.44 2kgl h LEU 136 N 0.00 -0.74 -2.00 0.59 5.85 0.30 -2.28 115.31 117.04 2kgl h LEU 136 Ca -0.00 0.05 0.25 0.00 0.84 0.00 0.00 57.88 59.01 2kgl h LEU 136 Cb 0.71 0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.93 2kgl h LEU 136 CO 0.05 -0.41 0.61 1.62 -0.34 0.00 0.00 178.44 179.98 2kgl h VAL 137 N -0.64 0.58 -0.57 1.05 3.04 -1.58 0.18 116.25 118.30 2kgl h VAL 137 Ca -0.05 -0.00 0.14 0.00 -1.01 0.00 0.00 66.70 65.78 2kgl h VAL 137 Cb 0.53 0.58 -0.03 0.00 -2.01 0.00 0.00 31.29 30.35 2kgl h VAL 137 CO 0.02 0.00 0.40 0.77 -1.01 0.00 0.00 177.57 177.75 2kgl h SER 138 N 0.00 0.12 0.33 3.17 4.64 -1.35 -2.40 113.55 118.07 2kgl h SER 138 Ca 0.40 0.01 -0.02 0.00 -0.47 0.00 0.00 61.79 61.71 2kgl h SER 138 Cb 1.62 -0.02 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2kgl h SER 138 CO -0.00 0.07 -0.16 1.56 -0.87 0.00 0.00 176.83 177.42 2kgl h GLN 139 N 0.13 -0.43 -1.10 4.77 7.50 -0.60 -3.47 115.11 121.91 2kgl h GLN 139 Ca 0.27 0.03 -0.35 0.00 0.50 0.00 0.00 58.65 59.10 2kgl h GLN 139 Cb 0.90 0.10 -0.12 0.00 0.05 0.00 0.00 27.48 28.41 2kgl h GLN 139 CO -0.04 -0.11 -0.34 -3.47 -1.50 0.00 0.00 178.83 173.37 2kgl n ASP 140 N -5.10 -5.08 -2.66 1.46 2.03 -0.90 -4.78 116.55 101.52 2kgl n ASP 140 Ca -0.09 0.35 -0.03 0.00 0.52 0.00 0.00 54.79 55.54 2kgl n ASP 140 Cb 0.27 -4.11 0.08 0.00 -0.72 0.00 0.00 41.12 36.64 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 -2.53 0.18 -3.80 -0.67 0.63 -1.06 -4.90 116.66 104.52 2kgl n ARG 141 Ca -0.18 -0.74 -0.13 0.00 -0.92 0.00 0.00 57.85 55.89 2kgl n ARG 141 Cb 0.58 -0.13 -0.10 0.00 0.45 0.00 0.00 32.46 33.26 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 -0.75 0.13 -0.16 0.00 0.00 -1.26 0.02 121.76 119.74 2kgl s ALA 143 Ca -0.08 0.28 -0.09 0.00 0.00 0.00 0.00 51.96 52.07 2kgl s ALA 143 Cb -0.04 -0.43 0.06 0.00 0.00 0.00 0.00 23.12 22.70 2kgl s ALA 143 CO 0.02 -0.29 0.38 -1.21 0.00 0.00 0.00 175.76 174.66 2kgl s GLU 144 N 1.59 0.37 -0.04 0.00 2.02 -0.35 -3.24 118.70 119.05 2kgl s GLU 144 Ca -0.03 0.74 0.03 0.00 0.02 0.00 0.00 54.97 55.73 2kgl s GLU 144 Cb -0.12 -0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.08 2kgl s GLU 144 CO -0.03 -0.15 -0.12 0.54 0.02 0.00 0.00 175.26 175.52 2kgl s VAL 145 N 1.32 1.02 -0.11 2.63 0.11 -0.23 -1.73 120.40 123.41 2kgl s VAL 145 Ca -0.09 -0.47 -0.01 0.00 -2.93 0.00 0.00 61.98 58.48 2kgl s VAL 145 Cb -0.08 -0.90 0.03 0.00 -1.53 0.00 0.00 36.38 33.90 2kgl s VAL 145 CO -0.11 0.31 -0.03 0.42 -3.33 0.00 0.00 175.10 172.36 2kgl s THR 146 N 0.25 0.69 -0.09 5.04 -4.23 -0.90 -4.12 115.64 112.28 2kgl s THR 146 Ca -0.05 -0.16 -0.03 0.00 -1.18 0.00 0.00 61.69 60.27 2kgl s THR 146 Cb -0.11 -0.83 0.04 0.00 1.34 0.00 0.00 72.50 72.94 2kgl s THR 146 CO 0.01 0.24 0.05 -0.22 -0.54 0.00 0.00 174.62 174.17 2kgl s LEU 147 N 1.84 0.37 0.00 4.79 1.98 -1.26 -3.44 118.68 122.95 2kgl s LEU 147 Ca 0.04 -0.17 -0.26 0.00 -2.89 0.00 0.00 54.13 50.85 2kgl s LEU 147 Cb -0.13 -0.27 0.08 0.00 0.66 0.00 0.00 46.19 46.54 2kgl s LEU 147 CO -0.07 -0.26 1.16 -1.84 -1.89 0.00 0.00 176.35 173.45 2kgl n GLU 148 N 5.24 0.06 0.00 1.98 0.00 -1.26 -4.85 120.64 121.82 2kgl n GLU 148 Ca -0.05 -0.53 0.00 0.00 0.00 0.00 0.00 57.16 56.58 2kgl n GLU 148 Cb 0.50 0.97 0.00 0.00 0.00 0.00 0.00 31.44 32.90 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2kgl n GLY 149 N -0.84 0.00 2.41 -1.84 0.00 -1.26 -3.88 105.19 99.78 2kgl n GLY 149 Ca 0.05 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.76 2kgl n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kgl n GLN 150 N 0.00 2.97 0.13 1.61 6.02 -1.26 -3.66 117.38 123.19 2kgl n GLN 150 Ca 0.00 -1.84 0.00 0.00 -0.01 0.00 0.00 57.00 55.15 2kgl n GLN 150 Cb 0.00 -2.62 0.00 0.00 1.02 0.00 0.00 30.24 28.64 2kgl n GLN 150 CO 0.00 0.00 0.00 -0.12 -1.01 0.00 0.00 177.06 175.93 2kgl n MET 151 N 3.77 0.00 -3.63 -1.09 1.56 -1.26 -4.99 117.12 111.48 2kgl n MET 151 Ca 0.63 0.00 -0.14 0.00 -0.27 0.00 0.00 57.70 57.92 2kgl n MET 151 Cb 0.22 0.00 -0.07 0.00 2.15 0.00 0.00 33.22 35.52 2kgl n MET 151 CO 0.00 0.00 0.00 -0.47 -0.73 0.00 0.00 175.97 174.77 2kgl s TYR 152 N -1.75 -0.78 0.00 1.12 5.04 -1.24 -5.05 117.35 114.69 2kgl s TYR 152 Ca 0.00 1.89 0.00 0.00 -2.44 0.00 0.00 57.07 56.52 2kgl s TYR 152 Cb 0.00 0.27 0.00 0.00 0.35 0.00 0.00 41.96 42.58 2kgl s TYR 152 CO 0.00 -0.38 0.00 -0.35 -1.34 0.00 0.00 175.55 173.48 2kgl n PRO 153 N 2.66 -1.00 0.00 4.97 -0.04 -1.05 -4.55 135.00 135.99 2kgl n PRO 153 Ca -0.14 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.41 2kgl n PRO 153 Cb 0.55 0.00 0.02 0.00 -0.04 0.00 0.00 33.50 34.03 2kgl n PRO 153 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 2kgl n GLY 154 N 2.44 0.12 0.20 0.55 0.00 -1.26 -3.48 105.19 103.76 2kgl n GLY 154 Ca 0.00 -0.52 -0.02 0.00 0.00 0.00 0.00 46.02 45.47 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 2.48 0.06 -2.84 1.61 1.57 -1.95 -3.40 116.57 114.10 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 0.66 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.96 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 -1.33 -2.10 0.00 3.86 0.00 -1.26 -4.67 105.19 99.68 2kgl n GLY 156 Ca 0.05 -0.24 0.00 0.00 0.00 0.00 0.00 46.02 45.83 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 -0.13 1.02 3.40 -0.02 0.00 -1.26 -4.96 105.19 103.24 2kgl n GLY 157 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 0.00 -1.21 0.00 -0.02 0.00 -1.26 -4.96 105.19 97.74 2kgl n GLY 158 Ca 0.00 0.51 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2kgl n GLY 158 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 159 N -2.29 0.00 -3.08 1.61 7.64 -1.26 -5.00 113.62 111.25 2kgl n SER 159 Ca -0.11 0.65 -0.17 0.00 1.01 0.00 0.00 58.87 60.24 2kgl n SER 159 Cb 0.58 -0.35 0.02 0.00 -1.01 0.00 0.00 64.21 63.45 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 2kgl n LYS 160 N -1.55 -2.18 -0.12 1.43 4.81 -1.26 -4.98 118.16 114.31 2kgl n LYS 160 Ca 0.00 1.86 -0.24 0.00 -0.87 0.00 0.00 58.31 59.06 2kgl n LYS 160 Cb 0.00 -4.55 -0.10 0.00 0.02 0.00 0.00 35.03 30.40 2kgl n LYS 160 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 2kgl n GLU 161 N -0.41 0.57 -3.38 1.64 4.07 -1.26 -4.98 120.64 116.90 2kgl n GLU 161 Ca 0.04 0.40 -0.17 0.00 -0.06 0.00 0.00 57.16 57.37 2kgl n GLU 161 Cb 0.53 -1.60 0.08 0.00 -0.06 0.00 0.00 31.44 30.39 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.06 0.00 0.00 177.13 178.24 2kgl n LYS 162 N -4.36 -4.78 -3.93 5.31 4.81 -1.26 -5.02 118.16 108.94 2kgl n LYS 162 Ca -0.41 0.84 -0.27 0.00 -0.87 0.00 0.00 58.31 57.60 2kgl n LYS 162 Cb 0.75 -5.80 -0.00 0.00 0.02 0.00 0.00 35.03 30.00 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 1.17 0.00 0.00 177.40 177.77 2kgl s ASN 163 N -3.97 4.59 0.13 3.14 -0.87 -1.26 -5.11 114.94 111.59 2kgl s ASN 163 Ca 0.19 -1.32 -0.20 0.00 -1.57 0.00 0.00 52.86 49.96 2kgl s ASN 163 Cb -0.03 0.58 -0.07 0.00 -0.02 0.00 0.00 41.25 41.71 2kgl s ASN 163 CO 0.74 -1.18 0.64 -0.54 -2.57 0.00 0.00 177.10 174.19 2kgl s LYS 164 N -4.31 4.25 -0.38 -0.60 3.01 -1.26 -4.92 119.74 115.53 2kgl s LYS 164 Ca 0.31 0.81 0.03 0.00 -1.01 0.00 0.00 55.97 56.12 2kgl s LYS 164 Cb -0.02 -3.13 0.16 0.00 -1.01 0.00 0.00 37.83 33.83 2kgl s LYS 164 CO 0.20 0.55 0.39 0.95 0.51 0.00 0.00 175.35 177.95 2kgl s THR 165 N -1.25 -0.29 -0.06 2.17 -4.23 -1.26 -5.03 115.64 105.69 2kgl s THR 165 Ca 0.34 -1.16 -0.04 0.00 -1.18 0.00 0.00 61.69 59.66 2kgl s THR 165 Cb -0.19 -0.69 -0.02 0.00 1.34 0.00 0.00 72.50 72.94 2kgl s THR 165 CO 0.21 -0.63 0.18 0.11 -0.54 0.00 0.00 174.62 173.95 2kgl h LYS 166 N 6.83 -0.13 -0.07 3.99 6.56 -2.02 -3.33 116.57 128.39 2kgl h LYS 166 Ca 0.07 0.01 -0.11 0.00 -1.06 0.00 0.00 60.65 59.56 2kgl h LYS 166 Cb 1.04 0.03 -0.01 0.00 -0.57 0.00 0.00 32.23 32.72 2kgl h LYS 166 CO 0.20 -0.09 -0.47 -1.00 -2.06 0.00 0.00 179.45 176.04 2kgl h PRO 167 N -0.82 0.18 -0.31 3.15 0.13 -2.03 -2.95 132.00 129.35 2kgl h PRO 167 Ca -0.01 -0.09 0.09 0.00 -0.87 0.00 0.00 66.00 65.11 2kgl h PRO 167 Cb 0.10 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.22 2kgl h PRO 167 CO 0.02 0.61 0.31 1.49 -0.23 0.00 0.00 178.00 180.21 2kgl h GLU 168 N 0.14 0.00 -0.25 0.86 4.57 -1.96 0.56 114.58 118.51 2kgl h GLU 168 Ca 0.01 0.00 0.03 0.00 -1.18 0.00 0.00 59.36 58.22 2kgl h GLU 168 Cb 0.89 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.46 2kgl h GLU 168 CO 0.07 0.00 0.17 1.57 -1.18 0.00 0.00 179.01 179.64 2kgl h LYS 169 N 0.00 0.20 0.19 1.92 2.10 -1.63 -2.00 116.57 117.35 2kgl h LYS 169 Ca 0.15 -0.01 -0.31 0.00 -2.00 0.00 0.00 60.65 58.47 2kgl h LYS 169 Cb 0.77 -0.05 0.02 0.00 -0.90 0.00 0.00 32.23 32.07 2kgl h LYS 169 CO -0.00 0.13 -1.39 0.00 -2.00 0.00 0.00 179.45 176.19 2kgl h ALA 170 N 1.86 -0.03 -0.32 0.07 0.00 -1.09 -2.61 119.26 117.15 2kgl h ALA 170 Ca 0.10 -0.89 0.07 0.00 0.00 0.00 0.00 54.91 54.20 2kgl h ALA 170 Cb 0.16 0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.99 2kgl h ALA 170 CO -0.02 0.84 -0.16 -0.22 0.00 0.00 0.00 179.25 179.69 2kgl h LYS 171 N 0.11 -0.11 0.00 0.00 1.63 -1.31 -0.31 116.57 116.58 2kgl h LYS 171 Ca -0.20 0.01 -0.16 0.00 -0.85 0.00 0.00 60.65 59.44 2kgl h LYS 171 Cb 2.08 0.03 -0.02 0.00 -0.60 0.00 0.00 32.23 33.71 2kgl h LYS 171 CO 0.24 -0.07 -0.76 0.87 -3.45 0.00 0.00 179.45 176.28 2kgl h LYS 172 N -0.11 0.00 -0.32 1.90 1.57 -1.63 -3.11 116.57 114.87 2kgl h LYS 172 Ca 0.16 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.93 2kgl h LYS 172 Cb 0.36 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 2kgl h LYS 172 CO -0.39 0.76 0.14 -0.22 -0.57 0.00 0.00 179.45 179.17 2kgl h LYS 173 N 0.00 0.44 0.26 3.15 3.64 -0.86 -3.16 116.57 120.04 2kgl h LYS 173 Ca -0.01 -0.05 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 2kgl h LYS 173 Cb 1.35 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 33.08 2kgl h LYS 173 CO 0.10 0.36 -0.12 0.93 -2.27 0.00 0.00 179.45 178.44 2kgl h GLU 174 N 0.45 -0.34 0.00 1.90 5.08 -1.05 -3.46 114.58 117.16 2kgl h GLU 174 Ca 0.11 0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 2kgl h GLU 174 Cb 0.07 0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.39 2kgl h GLU 174 CO -0.01 -0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.18 2kgl n GLY 175 N 0.90 2.72 0.22 -3.84 0.00 -1.18 -3.79 105.19 100.21 2kgl n GLY 175 Ca -0.04 0.17 -0.07 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.41 -0.01 1.61 5.19 -1.79 -3.28 116.42 117.73 2kgl h ASP 176 Ca 0.00 0.01 -0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2kgl h ASP 176 Cb 0.00 0.10 -0.00 0.00 0.18 0.00 0.00 39.33 39.61 2kgl h ASP 176 CO 0.00 0.03 -0.01 1.55 -3.12 0.00 0.00 179.24 177.68 2kgl h PRO 177 N -1.11 0.04 -0.94 3.56 0.13 -1.97 -3.44 132.00 128.26 2kgl h PRO 177 Ca -0.05 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 65.06 2kgl h PRO 177 Cb 0.37 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.30 2kgl h PRO 177 CO 0.08 0.52 -0.39 0.21 -0.23 0.00 0.00 178.00 178.19 2kgl s LYS 178 N -4.25 0.65 0.00 0.86 2.36 -1.26 -5.10 119.74 113.00 2kgl s LYS 178 Ca -0.16 0.16 0.00 0.00 -2.55 0.00 0.00 55.97 53.42 2kgl s LYS 178 Cb 0.02 0.17 0.00 0.00 -1.05 0.00 0.00 37.83 36.97 2kgl s LYS 178 CO 0.68 -1.05 0.00 -0.35 1.55 0.00 0.00 175.35 176.18 2kgl n PRO 179 N 4.91 -0.99 -3.00 4.03 -0.04 -1.24 -4.65 135.00 134.03 2kgl n PRO 179 Ca 0.08 0.00 -0.13 0.00 -0.04 0.00 0.00 63.50 63.41 2kgl n PRO 179 Cb 0.56 0.00 0.06 0.00 -0.04 0.00 0.00 33.50 34.08 2kgl n PRO 179 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 2kgl n ARG 180 N -1.49 -2.94 0.00 0.54 5.12 -1.25 -4.80 116.66 111.85 2kgl n ARG 180 Ca 0.00 0.70 0.00 0.00 -1.93 0.00 0.00 57.85 56.62 2kgl n ARG 180 Cb 0.00 -5.09 0.00 0.00 -1.16 0.00 0.00 32.46 26.21 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2kgl n ALA 181 N -3.10 0.00 -0.36 7.54 0.00 -1.26 -4.97 120.51 118.35 2kgl n ALA 181 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.40 2kgl n ALA 181 Cb 0.61 0.00 0.24 0.00 0.00 0.00 0.00 19.45 20.30 2kgl n ALA 181 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kgl h SER 182 N 0.00 0.93 0.20 0.00 0.02 -1.87 -0.29 113.55 112.55 2kgl h SER 182 Ca 0.00 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.00 2kgl h SER 182 Cb 0.00 -0.14 -0.04 0.00 0.14 0.00 0.00 62.40 62.35 2kgl h SER 182 CO 0.00 0.50 -0.53 0.50 -1.14 0.00 0.00 176.83 176.17 2kgl h LYS 183 N 1.00 -0.78 -0.20 3.45 1.63 -1.89 0.25 116.57 120.04 2kgl h LYS 183 Ca 0.49 0.05 -0.01 0.00 -0.85 0.00 0.00 60.65 60.33 2kgl h LYS 183 Cb 0.46 0.18 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 2kgl h LYS 183 CO -0.25 -0.52 0.09 0.93 -3.45 0.00 0.00 179.45 176.25 2kgl h GLU 184 N -0.81 0.28 -1.00 1.90 5.08 -1.87 -2.70 114.58 115.45 2kgl h GLU 184 Ca -0.02 -0.04 0.18 0.00 -1.00 0.00 0.00 59.36 58.48 2kgl h GLU 184 Cb 0.79 -0.05 -0.10 0.00 0.50 0.00 0.00 28.75 29.89 2kgl h GLU 184 CO -0.24 0.30 0.62 -0.44 -1.00 0.00 0.00 179.01 178.25 2kgl h ASP 185 N 0.19 0.82 -0.66 1.42 3.32 -0.78 -0.25 116.42 120.48 2kgl h ASP 185 Ca 0.07 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.26 2kgl h ASP 185 Cb 0.12 -0.06 -0.05 0.00 0.22 0.00 0.00 39.33 39.55 2kgl h ASP 185 CO -0.01 0.32 0.37 -1.13 -1.72 0.00 0.00 179.24 177.07 2kgl h ASN 186 N 0.81 0.55 0.40 6.45 -1.24 -0.17 -0.64 115.58 121.75 2kgl h ASN 186 Ca 0.56 0.03 -0.04 0.00 0.71 0.00 0.00 56.30 57.55 2kgl h ASN 186 Cb 0.81 -0.08 -0.01 0.00 0.73 0.00 0.00 38.32 39.77 2kgl h ASN 186 CO -0.36 0.36 -0.21 0.03 -1.29 0.00 0.00 177.43 175.97 2kgl h ARG 187 N 0.69 0.00 -0.01 6.67 3.08 -1.00 -1.39 114.38 122.43 2kgl h ARG 187 Ca 0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.34 2kgl h ARG 187 Cb 0.17 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.22 2kgl h ARG 187 CO -0.17 0.21 0.00 0.00 -1.07 0.00 0.00 179.97 178.94 2kgl n ALA 188 N -2.36 2.66 -1.52 0.04 0.00 -0.28 -3.28 120.51 115.78 2kgl n ALA 188 Ca -0.02 -0.23 -0.38 0.00 0.00 0.00 0.00 53.44 52.81 2kgl n ALA 188 Cb 0.31 -1.44 0.04 0.00 0.00 0.00 0.00 19.45 18.35 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 1.00 -1.06 0.00 0.00 0.00 -0.53 -4.45 105.19 100.16 2kgl n GLY 189 Ca 0.22 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.11 2kgl n GLY 189 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 2kgl n SER 190 N 0.14 0.30 -2.44 1.61 7.64 -1.26 -2.09 113.62 117.52 2kgl n SER 190 Ca 0.12 -0.83 -0.01 0.00 1.01 0.00 0.00 58.87 59.17 2kgl n SER 190 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 2kgl n SER 190 CO 0.00 0.00 0.00 -1.14 -3.01 0.00 0.00 175.04 170.89 2kgl n ARG 191 N -0.70 -2.62 -2.50 1.43 0.00 -1.26 -4.17 116.66 106.84 2kgl n ARG 191 Ca 0.00 2.22 -0.17 0.00 -0.00 0.00 0.00 57.85 59.90 2kgl n ARG 191 Cb 0.00 -4.41 0.00 0.00 0.00 0.00 0.00 32.46 28.05 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 0.45 -2.22 0.00 -0.14 0.63 -1.26 -4.83 116.66 109.28 2kgl n ARG 192 Ca 0.01 0.80 0.00 0.00 -0.92 0.00 0.00 57.85 57.74 2kgl n ARG 192 Cb 0.04 -5.27 0.00 0.00 0.45 0.00 0.00 32.46 27.67 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 -2.90 0.00 -3.76 -0.14 1.02 -1.26 -5.05 120.64 108.55 2kgl n GLU 193 Ca -0.17 0.00 -0.26 0.00 -0.02 0.00 0.00 57.16 56.71 2kgl n GLU 193 Cb 0.64 0.00 0.02 0.00 -0.02 0.00 0.00 31.44 32.08 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 -1.64 -2.55 0.00 1.62 -0.08 -0.89 -5.01 116.55 108.01 2kgl n ASP 194 Ca 0.00 -0.95 0.00 0.00 -1.51 0.00 0.00 54.79 52.33 2kgl n ASP 194 Cb 0.00 -3.52 0.00 0.00 2.34 0.00 0.00 41.12 39.94 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50