#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 6.89 0.14 0.00 -4.77 -1.26 -5.07 116.67 112.60 2kgl s ASP 2 Ca 0.00 1.71 0.09 0.00 -3.30 0.00 0.00 52.55 51.05 2kgl s ASP 2 Cb 0.00 -2.54 -0.04 0.00 -1.09 0.00 0.00 42.92 39.25 2kgl s ASP 2 CO 0.00 -0.39 -0.13 0.42 0.70 0.00 0.00 175.17 175.76 2kgl s THR 3 N -2.15 3.09 0.58 2.11 -4.23 -1.26 -5.10 115.64 108.67 2kgl s THR 3 Ca 0.62 -1.52 -0.10 0.00 -1.18 0.00 0.00 61.69 59.52 2kgl s THR 3 Cb -0.10 -2.47 0.14 0.00 1.34 0.00 0.00 72.50 71.42 2kgl s THR 3 CO 0.14 0.02 0.51 -0.81 -0.54 0.00 0.00 174.62 173.94 2kgl n PRO 4 N 0.47 -2.02 0.00 3.99 -0.04 -1.26 -4.94 135.00 131.21 2kgl n PRO 4 Ca -0.13 -0.82 0.00 0.00 -0.04 0.00 0.00 63.50 62.51 2kgl n PRO 4 Cb 0.54 -0.77 0.00 0.00 -0.04 0.00 0.00 33.50 33.23 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 -0.93 -0.15 2.38 0.55 0.00 -1.26 -5.02 105.19 100.76 2kgl n GLY 5 Ca 0.07 0.04 -0.18 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.87 -1.41 -0.89 1.61 2.13 -1.26 -4.79 120.64 115.15 2kgl n GLU 6 Ca 0.00 0.93 -0.05 0.00 0.66 0.00 0.00 57.16 58.71 2kgl n GLU 6 Cb 0.00 -5.40 -0.05 0.00 0.27 0.00 0.00 31.44 26.27 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 -1.23 3.23 -1.77 4.31 0.00 -1.26 -5.13 120.51 118.65 2kgl n ALA 7 Ca -0.21 -0.61 -0.39 0.00 0.00 0.00 0.00 53.44 52.24 2kgl n ALA 7 Cb 0.65 -0.27 -0.02 0.00 0.00 0.00 0.00 19.45 19.81 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 0.00 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.08 2kgl s THR 8 Ca 0.02 0.93 -0.12 0.00 -1.21 0.00 0.00 61.69 61.30 2kgl s THR 8 Cb 0.02 -3.53 0.17 0.00 -1.51 0.00 0.00 72.50 67.65 2kgl s THR 8 CO -0.01 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.43 2kgl s PRO 9 N -2.25 0.73 0.96 7.08 0.04 -1.26 -5.04 135.00 135.26 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 32.63 2kgl s PRO 9 CO 0.40 -2.56 1.09 -1.25 0.04 0.00 0.00 177.00 174.73 2kgl s PRO 10 N -4.95 0.74 -1.13 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 1.58 -0.05 0.56 -0.04 -1.26 -4.72 135.00 127.00 2kgl n PRO 11 Ca 0.06 -2.38 -0.13 0.00 -0.04 0.00 0.00 63.50 61.00 2kgl n PRO 11 Cb 0.56 -3.62 -0.07 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 9.47 0.32 0.00 0.54 2.47 -1.99 -3.41 114.38 121.77 2kgl h ARG 12 Ca 0.25 -0.17 -0.05 0.00 -1.26 0.00 0.00 59.98 58.75 2kgl h ARG 12 Cb 0.90 0.01 -0.06 0.00 -1.65 0.00 0.00 29.97 29.17 2kgl h ARG 12 CO 1.32 0.72 -0.18 0.36 0.56 0.00 0.00 179.97 182.75 2kgl n LYS 13 N -4.58 0.00 0.33 0.04 0.00 -1.26 -4.91 118.16 107.77 2kgl n LYS 13 Ca -0.06 -0.49 -0.13 0.00 -0.00 0.00 0.00 58.31 57.62 2kgl n LYS 13 Cb 0.36 0.11 -0.06 0.00 -0.00 0.00 0.00 35.03 35.43 2kgl n LYS 13 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.40 177.18 2kgl h LYS 14 N 0.05 -0.84 -0.72 -1.58 3.64 -1.80 -3.22 116.57 112.10 2kgl h LYS 14 Ca -0.18 0.06 -0.03 0.00 -1.27 0.00 0.00 60.65 59.23 2kgl h LYS 14 Cb 1.20 0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 33.20 2kgl h LYS 14 CO -0.08 -0.56 0.04 1.17 -2.27 0.00 0.00 179.45 177.74 2kgl n LYS 15 N -5.17 3.70 -0.07 1.90 4.81 -1.26 -0.12 118.16 121.95 2kgl n LYS 15 Ca -0.11 -2.28 -0.11 0.00 -0.87 0.00 0.00 58.31 54.95 2kgl n LYS 15 Cb 0.35 -2.05 -0.08 0.00 0.02 0.00 0.00 35.03 33.27 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 2.74 0.00 -4.90 3.14 5.19 -1.87 -3.49 116.42 117.23 2kgl h ASP 16 Ca 0.03 -0.57 0.01 0.00 -0.62 0.00 0.00 57.03 55.89 2kgl h ASP 16 Cb 1.64 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 41.03 2kgl h ASP 16 CO 0.39 0.92 -1.51 -0.38 -3.12 0.00 0.00 179.24 175.54 2kgl n ILE 17 N -4.63-12.81 -1.68 0.35 -0.00 -1.26 -4.51 119.36 94.82 2kgl n ILE 17 Ca -0.10 2.79 -0.50 0.00 -0.00 0.00 0.00 62.75 64.94 2kgl n ILE 17 Cb 0.36 -6.45 -0.05 0.00 -0.00 0.00 0.00 39.64 33.50 2kgl n ILE 17 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 176.55 177.09 2kgl n ARG 18 N 1.68 1.99 -1.50 0.38 3.00 -1.26 0.10 116.66 121.05 2kgl n ARG 18 Ca -0.37 0.72 -0.17 0.00 -0.01 0.00 0.00 57.85 58.02 2kgl n ARG 18 Cb 0.58 -2.56 -0.07 0.00 0.00 0.00 0.00 32.46 30.40 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kgl n ASP 19 N 6.59 -5.57 -2.43 0.55 -0.08 -1.07 -0.28 116.55 114.26 2kgl n ASP 19 Ca 0.24 0.42 -0.11 0.00 -1.51 0.00 0.00 54.79 53.84 2kgl n ASP 19 Cb 0.27 -4.60 -0.01 0.00 2.34 0.00 0.00 41.12 39.12 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kgl n TYR 20 N -2.31 -1.48 0.00 -0.67 9.36 0.12 -3.98 117.16 118.19 2kgl n TYR 20 Ca -0.17 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.05 2kgl n TYR 20 Cb 0.65 -2.50 0.00 0.00 -0.63 0.00 0.00 39.34 36.86 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 0.22 0.00 0.00 176.86 175.37 2kgl n ASN 21 N -1.73 0.00 0.33 2.98 2.85 -0.86 -4.94 115.26 113.88 2kgl n ASN 21 Ca -0.12 0.00 0.21 0.00 -0.11 0.00 0.00 54.58 54.56 2kgl n ASN 21 Cb 0.59 0.00 1.13 0.00 1.24 0.00 0.00 39.78 42.74 2kgl n ASN 21 CO 0.00 0.00 0.00 0.44 -2.11 0.00 0.00 177.26 175.59 2kgl h ASP 22 N 0.00 0.00 -0.85 1.20 5.19 -0.77 -2.51 116.42 118.68 2kgl h ASP 22 Ca 0.00 0.00 0.19 0.00 -0.62 0.00 0.00 57.03 56.60 2kgl h ASP 22 Cb 0.00 0.00 -0.12 0.00 0.18 0.00 0.00 39.33 39.39 2kgl h ASP 22 CO 0.00 0.00 0.34 0.00 -3.12 0.00 0.00 179.24 176.46 2kgl h ALA 23 N 1.89 1.29 -0.93 3.45 0.00 -1.53 0.15 119.26 123.57 2kgl h ALA 23 Ca 0.00 0.15 0.15 0.00 0.00 0.00 0.00 54.91 55.22 2kgl h ALA 23 Cb 0.10 0.15 -0.10 0.00 0.00 0.00 0.00 17.79 17.95 2kgl h ALA 23 CO 0.00 -0.30 0.54 0.38 0.00 0.00 0.00 179.25 179.86 2kgl h ASP 24 N 0.40 0.71 -0.89 0.00 3.04 -1.77 -0.20 116.42 117.71 2kgl h ASP 24 Ca 0.51 0.08 0.00 0.00 -3.24 0.00 0.00 57.03 54.39 2kgl h ASP 24 Cb 0.91 -0.04 -0.04 0.00 -1.04 0.00 0.00 39.33 39.11 2kgl h ASP 24 CO -0.50 0.30 0.57 0.24 -2.04 0.00 0.00 179.24 177.81 2kgl h MET 25 N 0.75 1.18 -0.92 4.15 0.00 -0.91 -1.92 114.93 117.27 2kgl h MET 25 Ca 0.51 -0.08 0.24 0.00 0.00 0.00 0.00 59.70 60.37 2kgl h MET 25 Cb 0.69 -0.26 -0.05 0.00 0.00 0.00 0.00 31.60 31.98 2kgl h MET 25 CO -0.35 0.80 0.63 0.00 0.00 0.00 0.00 176.91 177.99 2kgl h ALA 26 N 1.31 2.55 -0.49 6.32 0.00 -0.88 0.26 119.26 128.34 2kgl h ALA 26 Ca 0.32 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 2kgl h ALA 26 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 2kgl h ALA 26 CO -0.07 -0.83 0.32 -0.09 0.00 0.00 0.00 179.25 178.58 2kgl h ARG 27 N 0.19 0.64 -0.81 0.00 2.43 -1.31 -2.36 114.38 113.16 2kgl h ARG 27 Ca 0.46 -0.04 0.16 0.00 -0.81 0.00 0.00 59.98 59.75 2kgl h ARG 27 Cb 1.50 -0.14 -0.10 0.00 -0.42 0.00 0.00 29.97 30.80 2kgl h ARG 27 CO -0.10 0.43 0.35 -0.07 -1.51 0.00 0.00 179.97 179.07 2kgl h LEU 28 N 0.66 0.35 -1.58 3.80 3.38 -0.57 0.20 115.31 121.55 2kgl h LEU 28 Ca 0.18 0.12 0.17 0.00 0.09 0.00 0.00 57.88 58.43 2kgl h LEU 28 Cb -0.07 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.71 2kgl h LEU 28 CO -0.04 0.11 0.54 0.25 0.09 0.00 0.00 178.44 179.39 2kgl h LEU 29 N 0.48 0.37 -1.06 1.67 6.46 -1.54 0.26 115.31 121.95 2kgl h LEU 29 Ca 0.46 0.03 -0.10 0.00 -0.12 0.00 0.00 57.88 58.15 2kgl h LEU 29 Cb 0.73 -0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 40.60 2kgl h LEU 29 CO -0.42 0.18 -0.46 -0.33 -0.62 0.00 0.00 178.44 176.78 2kgl h GLU 30 N 0.39 0.00 -0.59 1.25 4.39 -0.71 -3.14 114.58 116.16 2kgl h GLU 30 Ca 0.40 0.00 0.12 0.00 0.34 0.00 0.00 59.36 60.22 2kgl h GLU 30 Cb 0.99 0.00 -0.10 0.00 -0.10 0.00 0.00 28.75 29.54 2kgl h GLU 30 CO -0.13 0.46 0.04 0.37 -1.16 0.00 0.00 179.01 178.59 2kgl h GLN 31 N 0.00 0.15 -0.84 2.33 4.15 -0.31 0.17 115.11 120.75 2kgl h GLN 31 Ca -0.00 -0.01 0.16 0.00 0.77 0.00 0.00 58.65 59.56 2kgl h GLN 31 Cb 0.83 -0.03 -0.10 0.00 0.21 0.00 0.00 27.48 28.39 2kgl h GLN 31 CO 0.06 0.10 0.41 -1.49 -1.93 0.00 0.00 178.83 175.98 2kgl h TRP 32 N 0.15 0.72 0.00 3.99 6.55 -1.61 0.27 115.95 126.02 2kgl h TRP 32 Ca 0.31 0.04 -0.08 0.00 0.95 0.00 0.00 58.89 60.11 2kgl h TRP 32 Cb 0.49 -0.19 -0.01 0.00 -0.86 0.00 0.00 29.16 28.59 2kgl h TRP 32 CO -0.32 0.13 -0.38 1.49 -1.05 0.00 0.00 178.44 178.31 2kgl h GLU 33 N 0.57 0.00 0.00 0.49 4.57 -1.16 -2.70 114.58 116.35 2kgl h GLU 33 Ca 0.47 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.62 2kgl h GLU 33 Cb 0.71 0.00 -0.00 0.00 -0.16 0.00 0.00 28.75 29.30 2kgl h GLU 33 CO -0.39 0.38 -0.17 1.57 -1.18 0.00 0.00 179.01 179.22 2kgl h LYS 34 N 0.00 0.00 -0.42 1.92 5.09 0.69 -0.91 116.57 122.94 2kgl h LYS 34 Ca -0.00 0.00 0.04 0.00 0.09 0.00 0.00 60.65 60.78 2kgl h LYS 34 Cb 0.83 0.00 -0.04 0.00 0.10 0.00 0.00 32.23 33.11 2kgl h LYS 34 CO 0.05 0.17 0.18 0.22 -2.09 0.00 0.00 179.45 177.98 2kgl h ASP 35 N 0.00 0.23 0.31 7.07 3.58 -1.04 0.25 116.42 126.82 2kgl h ASP 35 Ca -0.00 0.03 -0.33 0.00 0.42 0.00 0.00 57.03 57.16 2kgl h ASP 35 Cb 0.66 -0.00 -0.04 0.00 1.72 0.00 0.00 39.33 41.67 2kgl h ASP 35 CO 0.02 0.17 -1.88 -0.67 -2.88 0.00 0.00 179.24 174.00 2kgl n ASP 36 N -4.96 1.36 0.00 2.28 -0.08 -1.18 -4.57 116.55 109.40 2kgl n ASP 36 Ca 0.03 0.30 0.00 0.00 -1.51 0.00 0.00 54.79 53.60 2kgl n ASP 36 Cb 0.13 -0.34 0.00 0.00 2.34 0.00 0.00 41.12 43.25 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 2kgl n ASP 37 N -3.21 0.00 -2.62 1.67 2.03 -0.35 -5.03 116.55 109.03 2kgl n ASP 37 Ca -0.25 0.72 -0.02 0.00 0.52 0.00 0.00 54.79 55.76 2kgl n ASP 37 Cb 1.05 -0.48 -0.01 0.00 -0.72 0.00 0.00 41.12 40.96 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 2kgl n ILE 38 N -1.93-11.88 0.00 5.18 5.41 0.88 -5.03 119.36 111.98 2kgl n ILE 38 Ca 0.00 2.04 0.00 0.00 1.00 0.00 0.00 62.75 65.79 2kgl n ILE 38 Cb 0.00 -6.70 0.00 0.00 -0.71 0.00 0.00 39.64 32.23 2kgl n ILE 38 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kgl n GLU 39 N 0.96 0.00 -1.02 0.38 -0.58 -1.26 -5.12 120.64 113.99 2kgl n GLU 39 Ca -0.12 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.62 2kgl n GLU 39 Cb 0.19 -0.21 0.00 0.00 -0.57 0.00 0.00 31.44 30.85 2kgl n GLU 39 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 2kgl n GLU 40 N -2.03 0.00 0.00 3.49 2.13 -1.26 -5.07 120.64 117.90 2kgl n GLU 40 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kgl n GLU 40 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.68 3.71 8.31 0.00 -1.26 -4.29 105.19 112.35 2kgl n GLY 41 Ca 0.00 0.07 -0.43 0.00 0.00 0.00 0.00 46.02 45.67 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 3.26 -4.25 1.61 9.92 -1.26 -3.84 116.55 121.99 2kgl n ASP 42 Ca 0.00 1.17 -0.14 0.00 -0.53 0.00 0.00 54.79 55.29 2kgl n ASP 42 Cb 0.00 -1.52 -0.10 0.00 -0.64 0.00 0.00 41.12 38.86 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 -0.57 2.45 -0.27 0.64 1.02 -1.26 -5.00 118.68 115.68 2kgl s LEU 43 Ca 0.62 -1.05 -0.29 0.00 0.02 0.00 0.00 54.13 53.43 2kgl s LEU 43 Cb -0.56 -0.28 -0.02 0.00 0.02 0.00 0.00 46.19 45.35 2kgl s LEU 43 CO 0.53 -0.39 1.64 -2.16 0.02 0.00 0.00 176.35 176.00 2kgl s PRO 44 N -3.79 3.65 -0.24 1.29 0.04 -1.26 -4.13 135.00 130.57 2kgl s PRO 44 Ca 0.18 1.53 -0.03 0.00 0.04 0.00 0.00 61.00 62.73 2kgl s PRO 44 Cb 0.04 -4.08 0.00 0.00 0.04 0.00 0.00 34.50 30.50 2kgl s PRO 44 CO 0.01 -1.47 0.11 0.39 0.04 0.00 0.00 177.00 176.08 2kgl n GLU 45 N 7.90 -2.29 0.00 4.56 1.02 -1.26 -4.88 120.64 125.70 2kgl n GLU 45 Ca 0.20 2.01 0.10 0.00 -0.02 0.00 0.00 57.16 59.45 2kgl n GLU 45 Cb 0.46 -4.20 0.49 0.00 -0.02 0.00 0.00 31.44 28.17 2kgl n GLU 45 CO 0.00 0.00 0.00 -2.39 1.18 0.00 0.00 177.13 175.92 2kgl n HIS 46 N 0.28 0.00 0.00 -0.32 1.44 -1.26 -4.07 115.22 111.29 2kgl n HIS 46 Ca 0.02 0.00 0.00 0.00 -2.01 0.00 0.00 57.72 55.73 2kgl n HIS 46 Cb 0.08 -0.39 0.00 0.00 0.12 0.00 0.00 29.99 29.80 2kgl n HIS 46 CO 0.00 0.00 0.00 1.63 -2.81 0.00 0.00 176.34 175.16 2kgl n LYS 47 N -1.39 0.00 -3.21 -1.40 5.02 -1.26 -3.61 118.16 112.31 2kgl n LYS 47 Ca 0.08 0.51 -0.21 0.00 -2.02 0.00 0.00 58.31 56.67 2kgl n LYS 47 Cb 0.20 -1.22 0.02 0.00 -0.02 0.00 0.00 35.03 34.01 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 2kgl n ARG 48 N -1.58 -2.03 -2.15 1.97 3.00 -1.26 -4.57 116.66 110.05 2kgl n ARG 48 Ca 0.00 1.67 -0.43 0.00 -0.01 0.00 0.00 57.85 59.08 2kgl n ARG 48 Cb 0.00 -3.98 -0.03 0.00 0.00 0.00 0.00 32.46 28.45 2kgl n ARG 48 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.63 176.38 2kgl s PRO 49 N -2.81 4.13 0.26 5.56 0.04 -1.26 -4.96 135.00 135.95 2kgl s PRO 49 Ca 0.25 1.94 0.08 0.00 0.04 0.00 0.00 61.00 63.32 2kgl s PRO 49 Cb -0.04 -3.93 -0.04 0.00 0.04 0.00 0.00 34.50 30.52 2kgl s PRO 49 CO 0.82 -0.89 0.09 0.45 0.04 0.00 0.00 177.00 177.51 2kgl s SER 50 N 3.11 4.97 0.22 6.66 0.15 -1.26 -5.12 113.70 122.43 2kgl s SER 50 Ca 0.68 -0.48 0.06 0.00 0.70 0.00 0.00 55.95 56.91 2kgl s SER 50 Cb -0.28 -1.08 -0.05 0.00 -1.71 0.00 0.00 66.02 62.89 2kgl s SER 50 CO 0.25 -0.03 -0.09 0.00 1.20 0.00 0.00 173.24 174.57 2kgl s ALA 51 N -2.25 1.96 -1.13 5.45 0.00 -1.26 -4.75 121.76 119.77 2kgl s ALA 51 Ca 0.32 -1.70 -0.23 0.00 0.00 0.00 0.00 51.96 50.35 2kgl s ALA 51 Cb -0.07 0.09 -0.10 0.00 0.00 0.00 0.00 23.12 23.04 2kgl s ALA 51 CO 0.22 -0.05 1.93 -0.35 0.00 0.00 0.00 175.76 177.52 2kgl n PRO 52 N -0.40 1.58 -3.20 0.00 -0.04 -1.26 -4.78 135.00 126.91 2kgl n PRO 52 Ca -0.07 -2.39 -0.29 0.00 -0.04 0.00 0.00 63.50 60.71 2kgl n PRO 52 Cb 0.62 -3.63 -0.06 0.00 -0.04 0.00 0.00 33.50 30.39 2kgl n PRO 52 CO 0.00 0.00 0.00 0.44 -0.04 0.00 0.00 175.50 175.90 2kgl n ILE 53 N 7.59 2.96 -4.35 0.52 -5.35 -1.26 -4.97 119.36 114.50 2kgl n ILE 53 Ca 0.45 -5.43 -0.30 0.00 -0.27 0.00 0.00 62.75 57.21 2kgl n ILE 53 Cb 0.46 -1.84 -0.05 0.00 -1.74 0.00 0.00 39.64 36.47 2kgl n ILE 53 CO 0.00 0.00 0.00 -1.81 -1.76 0.00 0.00 176.55 172.98 2kgl s ASP 54 N -2.73 4.36 -0.08 7.28 1.11 -1.26 -4.90 116.67 120.44 2kgl s ASP 54 Ca 0.42 -1.45 -0.02 0.00 0.18 0.00 0.00 52.55 51.68 2kgl s ASP 54 Cb 0.19 0.43 -0.04 0.00 1.07 0.00 0.00 42.92 44.57 2kgl s ASP 54 CO -0.05 -0.95 -0.09 2.22 1.18 0.00 0.00 175.17 177.48 2kgl n PHE 55 N -1.48 0.00 -2.53 4.23 -1.74 -1.26 -5.12 117.46 109.56 2kgl n PHE 55 Ca -0.11 0.00 -0.05 0.00 -0.56 0.00 0.00 57.45 56.73 2kgl n PHE 55 Cb 0.66 -0.30 -0.04 0.00 1.52 0.00 0.00 39.48 41.31 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.56 0.00 0.00 176.76 176.65 2kgl n SER 56 N -3.14 -1.14 0.00 5.98 2.88 -1.25 -4.99 113.62 111.95 2kgl n SER 56 Ca -0.16 1.36 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 2kgl n SER 56 Cb 0.63 -5.14 0.00 0.00 -0.75 0.00 0.00 64.21 58.94 2kgl n SER 56 CO 0.00 0.00 0.00 0.29 -1.23 0.00 0.00 175.04 174.10 2kgl n LYS 57 N 1.67 1.59 0.00 -1.46 5.02 -1.26 -4.88 118.16 118.85 2kgl n LYS 57 Ca -0.38 -1.03 0.00 0.00 -2.02 0.00 0.00 58.31 54.87 2kgl n LYS 57 Cb 0.59 -0.82 0.00 0.00 -0.02 0.00 0.00 35.03 34.78 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kgl n LEU 58 N -0.28 0.68 -4.96 -0.35 4.77 -1.26 -5.01 117.00 110.60 2kgl n LEU 58 Ca 0.00 0.13 -0.22 0.00 -0.03 0.00 0.00 56.01 55.89 2kgl n LEU 58 Cb 0.31 -0.27 -0.02 0.00 -2.33 0.00 0.00 43.42 41.11 2kgl n LEU 58 CO 0.00 -0.27 -0.03 -1.81 -1.33 0.00 0.00 177.39 173.95 2kgl s ASP 59 N -2.34 6.32 -0.01 -1.43 1.01 -1.26 -5.04 116.67 113.92 2kgl s ASP 59 Ca 0.00 0.14 -0.24 0.00 0.71 0.00 0.00 52.55 53.15 2kgl s ASP 59 Cb 0.00 -1.89 -0.19 0.00 1.01 0.00 0.00 42.92 41.85 2kgl s ASP 59 CO 0.00 -0.07 1.29 1.55 0.21 0.00 0.00 175.17 178.15 2kgl h PRO 60 N 1.35 0.09 0.00 8.23 0.13 -1.95 -3.50 132.00 136.35 2kgl h PRO 60 Ca -0.51 -0.05 0.00 0.00 -0.87 0.00 0.00 66.00 64.57 2kgl h PRO 60 Cb 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kgl h PRO 60 CO 0.63 0.55 0.00 0.41 -0.23 0.00 0.00 178.00 179.36 2kgl n GLY 61 N 0.22 -0.47 3.51 1.56 0.00 -1.26 -5.07 105.19 103.68 2kgl n GLY 61 Ca -0.08 0.21 -0.20 0.00 0.00 0.00 0.00 46.02 45.96 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 0.00 -1.37 -2.07 1.61 5.02 -1.26 -4.78 118.16 115.32 2kgl n LYS 62 Ca 0.00 0.86 -0.28 0.00 -2.02 0.00 0.00 58.31 56.86 2kgl n LYS 62 Cb 0.00 -4.18 -0.06 0.00 -0.02 0.00 0.00 35.03 30.77 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 -4.78 2.49 0.02 1.97 0.04 -1.26 -4.69 135.00 128.80 2kgl s PRO 63 Ca 0.21 -1.16 -0.16 0.00 0.04 0.00 0.00 61.00 59.93 2kgl s PRO 63 Cb -0.07 -5.24 -0.35 0.00 0.04 0.00 0.00 34.50 28.87 2kgl s PRO 63 CO 0.83 -3.99 0.98 0.93 0.04 0.00 0.00 177.00 175.79 2kgl h GLU 64 N 9.74 0.52 -0.06 4.56 5.08 -1.99 -3.32 114.58 129.12 2kgl h GLU 64 Ca 0.22 -0.89 -0.14 0.00 -1.00 0.00 0.00 59.36 57.55 2kgl h GLU 64 Cb 0.94 0.33 -0.01 0.00 0.50 0.00 0.00 28.75 30.51 2kgl h GLU 64 CO 1.22 1.43 -0.58 0.66 -1.00 0.00 0.00 179.01 180.74 2kgl h SER 65 N 0.10 0.21 -0.56 1.42 4.64 -1.84 -2.99 113.55 114.53 2kgl h SER 65 Ca -0.25 -0.11 0.16 0.00 -0.47 0.00 0.00 61.79 61.12 2kgl h SER 65 Cb 2.12 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 64.13 2kgl h SER 65 CO 0.26 0.74 0.47 0.40 -0.87 0.00 0.00 176.83 177.84 2kgl h ILE 66 N 0.14 0.51 -0.42 0.95 1.08 -1.93 -1.07 117.51 116.77 2kgl h ILE 66 Ca -0.00 0.00 0.07 0.00 -0.39 0.00 0.00 64.86 64.53 2kgl h ILE 66 Cb 1.06 0.65 -0.06 0.00 -3.07 0.00 0.00 36.82 35.40 2kgl h ILE 66 CO 0.09 0.00 0.08 -0.07 -0.69 0.00 0.00 178.15 177.56 2kgl h LEU 67 N 0.00 0.00 -1.82 1.44 3.38 -1.67 -0.47 115.31 116.18 2kgl h LEU 67 Ca 0.26 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 58.30 2kgl h LEU 67 Cb 1.21 0.10 -0.01 0.00 0.09 0.00 0.00 40.66 42.05 2kgl h LEU 67 CO -0.00 0.04 0.01 0.50 0.09 0.00 0.00 178.44 179.07 2kgl h LYS 68 N 0.21 0.12 -0.43 1.13 1.63 -1.35 -2.70 116.57 115.17 2kgl h LYS 68 Ca 0.20 -0.01 0.09 0.00 -0.85 0.00 0.00 60.65 60.08 2kgl h LYS 68 Cb 0.25 -0.02 -0.08 0.00 -0.60 0.00 0.00 32.23 31.77 2kgl h LYS 68 CO -0.27 0.13 -0.12 1.98 -3.45 0.00 0.00 179.45 177.72 2kgl h MET 69 N 0.12 -0.02 -1.31 1.90 4.05 -1.10 -3.46 114.93 115.11 2kgl h MET 69 Ca 0.03 0.00 -0.31 0.00 -0.28 0.00 0.00 59.70 59.14 2kgl h MET 69 Cb 0.07 0.00 -0.08 0.00 -0.80 0.00 0.00 31.60 30.79 2kgl h MET 69 CO -0.00 -0.01 -0.33 2.41 0.23 0.00 0.00 176.91 179.21 2kgl n THR 70 N -5.34 -0.29 -2.27 -0.77 -1.04 -1.02 -4.30 114.28 99.26 2kgl n THR 70 Ca 0.03 0.00 -0.02 0.00 -2.04 0.00 0.00 64.05 62.02 2kgl n THR 70 Cb 0.24 -1.89 -0.02 0.00 -1.82 0.00 0.00 70.33 66.84 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.64 0.00 0.00 175.07 175.60 2kgl n LYS 71 N -2.53 -4.20 0.00 -2.82 4.81 -1.26 -4.32 118.16 107.85 2kgl n LYS 71 Ca -0.17 3.17 0.00 0.00 -0.87 0.00 0.00 58.31 60.44 2kgl n LYS 71 Cb 0.56 -4.27 0.00 0.00 0.02 0.00 0.00 35.03 31.34 2kgl n LYS 71 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 2kgl n LYS 72 N 1.51 0.00 0.00 1.64 4.81 -1.26 -4.97 118.16 119.89 2kgl n LYS 72 Ca -0.17 0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.50 2kgl n LYS 72 Cb 0.26 -0.97 0.00 0.00 0.02 0.00 0.00 35.03 34.34 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kgl n GLY 73 N 0.85 1.22 3.26 3.14 0.00 -1.26 -4.98 105.19 107.42 2kgl n GLY 73 Ca 0.00 -0.08 -0.13 0.00 0.00 0.00 0.00 46.02 45.81 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 0.57 0.00 1.61 2.20 -1.26 -0.87 119.74 122.00 2kgl s LYS 74 Ca 0.00 0.13 0.00 0.00 -0.36 0.00 0.00 55.97 55.74 2kgl s LYS 74 Cb 0.00 0.26 0.00 0.00 -1.51 0.00 0.00 37.83 36.58 2kgl s LYS 74 CO 0.00 -0.13 0.00 0.25 -0.36 0.00 0.00 175.35 175.11 2kgl n THR 75 N 1.97 0.00 -4.77 3.43 -2.24 -1.26 -4.72 114.28 106.69 2kgl n THR 75 Ca -0.18 0.00 -0.33 0.00 -2.27 0.00 0.00 64.05 61.28 2kgl n THR 75 Cb 0.57 -0.08 -0.16 0.00 -2.10 0.00 0.00 70.33 68.55 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kgl s LEU 76 N 0.00 2.18 -0.14 3.22 2.96 -1.26 -4.77 118.68 120.87 2kgl s LEU 76 Ca 0.00 -0.56 -0.05 0.00 -0.22 0.00 0.00 54.13 53.30 2kgl s LEU 76 Cb 0.00 -1.46 0.07 0.00 0.50 0.00 0.00 46.19 45.30 2kgl s LEU 76 CO 0.00 0.10 0.28 -0.04 -1.32 0.00 0.00 176.35 175.37 2kgl s MET 77 N 0.70 0.17 -0.25 1.98 -1.94 -1.22 -3.23 119.30 115.51 2kgl s MET 77 Ca -0.09 0.73 -0.08 0.00 -1.71 0.00 0.00 55.69 54.53 2kgl s MET 77 Cb -0.16 -0.10 0.11 0.00 2.01 0.00 0.00 34.83 36.69 2kgl s MET 77 CO 0.01 -0.32 0.54 -1.64 -0.01 0.00 0.00 175.02 173.60 2kgl s MET 78 N 2.43 0.46 -0.09 2.03 -1.94 -1.18 -0.02 119.30 120.99 2kgl s MET 78 Ca 0.02 1.25 -0.01 0.00 -1.71 0.00 0.00 55.69 55.24 2kgl s MET 78 Cb -0.12 0.61 0.03 0.00 2.01 0.00 0.00 34.83 37.36 2kgl s MET 78 CO -0.09 -0.23 0.00 -0.06 -0.01 0.00 0.00 175.02 174.63 2kgl s PHE 79 N 2.76 0.79 -0.13 -0.03 0.08 -0.52 -3.12 117.98 117.82 2kgl s PHE 79 Ca -0.04 -0.32 -0.09 0.00 0.12 0.00 0.00 56.93 56.60 2kgl s PHE 79 Cb -0.12 -0.87 0.04 0.00 -0.57 0.00 0.00 43.02 41.50 2kgl s PHE 79 CO -0.16 -0.39 0.32 0.54 -0.10 0.00 0.00 175.22 175.44 2kgl s VAL 80 N 1.93 -0.02 -0.48 -0.44 0.11 -1.14 -0.34 120.40 120.02 2kgl s VAL 80 Ca 0.04 0.07 0.07 0.00 -2.93 0.00 0.00 61.98 59.23 2kgl s VAL 80 Cb -0.13 -0.48 0.25 0.00 -1.53 0.00 0.00 36.38 34.50 2kgl s VAL 80 CO -0.06 0.03 0.61 1.07 -3.33 0.00 0.00 175.10 173.41 2kgl n THR 81 N 3.66 0.43 -3.55 5.04 5.66 0.84 -1.95 114.28 124.41 2kgl n THR 81 Ca -0.19 -4.46 -0.13 0.00 -3.05 0.00 0.00 64.05 56.21 2kgl n THR 81 Cb 0.56 -2.00 -0.05 0.00 -1.55 0.00 0.00 70.33 67.29 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 -1.67 0.03 -0.58 1.08 0.11 -0.86 -1.66 120.40 116.84 2kgl s VAL 82 Ca 0.37 -0.23 -0.27 0.00 -2.93 0.00 0.00 61.98 58.92 2kgl s VAL 82 Cb 0.16 -1.00 -0.01 0.00 -1.53 0.00 0.00 36.38 34.00 2kgl s VAL 82 CO -0.07 -0.13 1.74 -0.94 -3.33 0.00 0.00 175.10 172.37 2kgl s SER 83 N -2.15 5.55 0.00 3.54 1.04 -1.26 -3.19 113.70 117.22 2kgl s SER 83 Ca -0.04 0.38 0.00 0.00 0.48 0.00 0.00 55.95 56.77 2kgl s SER 83 Cb -0.00 -2.53 0.00 0.00 0.10 0.00 0.00 66.02 63.58 2kgl s SER 83 CO -0.04 -2.15 0.00 0.61 0.98 0.00 0.00 173.24 172.64 2kgl n GLY 84 N 5.57 -1.24 0.00 7.32 0.00 -1.26 -4.72 105.19 110.86 2kgl n GLY 84 Ca 0.18 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.73 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 -1.12 0.00 -4.55 1.61 4.05 -1.26 -4.71 115.26 109.28 2kgl n ASN 85 Ca 0.00 0.00 -0.33 0.00 0.45 0.00 0.00 54.58 54.70 2kgl n ASN 85 Cb 0.00 0.00 -0.04 0.00 1.23 0.00 0.00 39.78 40.97 2kgl n ASN 85 CO 0.00 0.00 0.00 -2.16 -3.05 0.00 0.00 177.26 172.05 2kgl s PRO 86 N -0.78 2.59 0.00 1.20 0.04 -1.26 -4.41 135.00 132.38 2kgl s PRO 86 Ca 0.00 0.20 0.00 0.00 0.04 0.00 0.00 61.00 61.24 2kgl s PRO 86 Cb 0.00 -4.69 0.00 0.00 0.04 0.00 0.00 34.50 29.85 2kgl s PRO 86 CO 0.00 -3.03 0.66 2.41 0.04 0.00 0.00 177.00 177.09 2kgl n THR 87 N 7.52 0.00 -0.25 1.26 -1.04 -1.26 -4.88 114.28 115.63 2kgl n THR 87 Ca 0.29 0.00 -0.06 0.00 -2.04 0.00 0.00 64.05 62.25 2kgl n THR 87 Cb 0.50 0.17 0.05 0.00 -1.82 0.00 0.00 70.33 69.22 2kgl n THR 87 CO 0.00 0.00 0.00 1.05 -0.64 0.00 0.00 175.07 175.48 2kgl h GLU 88 N 0.00 0.93 0.29 -2.82 -0.00 -1.93 0.24 114.58 111.30 2kgl h GLU 88 Ca -0.19 -0.08 -0.01 0.00 -0.00 0.00 0.00 59.36 59.07 2kgl h GLU 88 Cb 1.13 -0.20 0.00 0.00 -0.00 0.00 0.00 28.75 29.69 2kgl h GLU 88 CO -0.10 0.66 -0.14 0.87 -0.00 0.00 0.00 179.01 180.30 2kgl h LYS 89 N 0.93 -0.38 -0.42 1.06 1.57 -1.98 -3.06 116.57 114.29 2kgl h LYS 89 Ca 0.25 0.03 0.00 0.00 -1.87 0.00 0.00 60.65 59.05 2kgl h LYS 89 Cb -0.03 0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2kgl h LYS 89 CO -0.05 -0.08 0.26 0.93 -0.57 0.00 0.00 179.45 179.95 2kgl h GLU 90 N -0.69 0.55 0.01 3.15 5.08 -1.92 -2.95 114.58 117.81 2kgl h GLU 90 Ca -0.04 -0.04 0.02 0.00 -1.00 0.00 0.00 59.36 58.31 2kgl h GLU 90 Cb 0.48 -0.12 -0.06 0.00 0.50 0.00 0.00 28.75 29.55 2kgl h GLU 90 CO 0.07 0.38 -0.49 1.15 -1.00 0.00 0.00 179.01 179.11 2kgl h THR 91 N 0.57 0.06 -0.39 1.13 2.02 -0.41 0.10 112.91 115.98 2kgl h THR 91 Ca 0.15 0.00 0.11 0.00 0.77 0.00 0.00 66.41 67.45 2kgl h THR 91 Cb -0.04 0.06 -0.02 0.00 -1.74 0.00 0.00 68.15 66.41 2kgl h THR 91 CO -0.03 0.00 0.32 -0.33 0.37 0.00 0.00 175.52 175.85 2kgl h GLU 92 N -0.65 0.00 0.00 6.66 5.08 -1.47 0.28 114.58 124.48 2kgl h GLU 92 Ca 0.03 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.31 2kgl h GLU 92 Cb 0.71 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.94 2kgl h GLU 92 CO -0.34 0.00 -0.38 1.49 -1.00 0.00 0.00 179.01 178.78 2kgl h GLU 93 N 0.00 0.00 -0.97 2.33 4.57 -0.85 -3.22 114.58 116.44 2kgl h GLU 93 Ca 0.19 0.00 0.24 0.00 -1.18 0.00 0.00 59.36 58.61 2kgl h GLU 93 Cb 0.82 0.00 -0.07 0.00 -0.16 0.00 0.00 28.75 29.34 2kgl h GLU 93 CO -0.00 0.38 0.65 0.82 -1.18 0.00 0.00 179.01 179.67 2kgl h ILE 94 N 0.00 0.59 -0.62 2.32 2.04 0.16 0.26 117.51 122.26 2kgl h ILE 94 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2kgl h ILE 94 Cb 1.13 0.25 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 2kgl h ILE 94 CO 0.05 0.06 0.34 0.00 0.00 0.00 0.00 178.15 178.59 2kgl h THR 95 N 0.32 1.19 -0.17 -0.27 1.03 -1.67 0.24 112.91 113.57 2kgl h THR 95 Ca 0.51 -0.47 -0.05 0.00 -0.01 0.00 0.00 66.41 66.39 2kgl h THR 95 Cb 1.43 0.36 -0.00 0.00 -1.07 0.00 0.00 68.15 68.87 2kgl h THR 95 CO -0.18 0.21 -0.07 0.28 -0.01 0.00 0.00 175.52 175.75 2kgl h SER 96 N 0.86 0.35 0.50 0.00 0.02 -0.70 -3.08 113.55 111.50 2kgl h SER 96 Ca 0.22 -0.40 -0.11 0.00 -0.84 0.00 0.00 61.79 60.66 2kgl h SER 96 Cb 0.03 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.45 2kgl h SER 96 CO -0.04 0.68 -0.52 -0.07 -1.14 0.00 0.00 176.83 175.74 2kgl h LEU 97 N 0.03 0.02 -0.96 5.07 3.38 -1.24 -3.06 115.31 118.55 2kgl h LEU 97 Ca 0.04 -0.01 0.12 0.00 0.09 0.00 0.00 57.88 58.12 2kgl h LEU 97 Cb 0.54 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.20 2kgl h LEU 97 CO 0.02 0.54 0.59 -0.25 0.09 0.00 0.00 178.44 179.43 2kgl h TRP 98 N 0.02 1.06 -0.00 1.13 7.01 -0.45 0.89 115.95 125.61 2kgl h TRP 98 Ca -0.00 0.03 -0.06 0.00 2.11 0.00 0.00 58.89 60.97 2kgl h TRP 98 Cb 0.92 -0.33 -0.01 0.00 -2.10 0.00 0.00 29.16 27.64 2kgl h TRP 98 CO 0.00 0.40 -0.26 1.96 -2.79 0.00 0.00 178.44 177.75 2kgl h GLN 99 N 0.92 0.00 -0.05 2.65 4.20 -1.52 -1.00 115.11 120.32 2kgl h GLN 99 Ca 0.48 -0.00 -0.02 0.00 0.06 0.00 0.00 58.65 59.17 2kgl h GLN 99 Cb 0.51 -0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.28 2kgl h GLN 99 CO -0.28 0.27 -0.06 0.78 -0.67 0.00 0.00 178.83 178.87 2kgl h GLY 100 N 0.79 0.14 1.93 3.46 0.00 -0.93 -3.22 103.07 105.24 2kgl h GLY 100 Ca -0.00 -0.15 -0.11 0.00 0.00 0.00 0.00 47.33 47.07 2kgl h GLY 100 CO 0.03 0.13 -0.50 1.76 0.00 0.00 0.00 176.54 177.97 2kgl h SER 101 N -0.34 0.09 -0.80 0.19 0.02 -1.31 -2.93 113.55 108.47 2kgl h SER 101 Ca 0.01 -0.04 0.23 0.00 -0.84 0.00 0.00 61.79 61.15 2kgl h SER 101 Cb 0.58 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 63.06 2kgl h SER 101 CO 0.01 0.57 0.58 0.25 -1.14 0.00 0.00 176.83 177.11 2kgl h LEU 102 N 0.06 0.00 -1.44 5.07 7.12 -1.19 0.10 115.31 125.04 2kgl h LEU 102 Ca -0.00 0.00 0.17 0.00 0.13 0.00 0.00 57.88 58.18 2kgl h LEU 102 Cb 0.91 0.00 -0.06 0.00 -0.53 0.00 0.00 40.66 40.97 2kgl h LEU 102 CO 0.07 0.00 0.56 0.15 -0.13 0.00 0.00 178.44 179.09 2kgl h PHE 103 N 0.00 0.63 -0.07 1.25 3.04 -1.59 0.28 116.94 120.49 2kgl h PHE 103 Ca 0.38 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.37 2kgl h PHE 103 Cb 1.55 -0.20 -0.00 0.00 2.56 0.00 0.00 35.95 39.86 2kgl h PHE 103 CO 0.00 0.21 0.14 -0.91 -2.02 0.00 0.00 178.31 175.73 2kgl h ASN 104 N 0.52 0.00 -0.27 0.41 2.35 -1.01 -3.45 115.58 114.12 2kgl h ASN 104 Ca 0.44 0.00 -0.12 0.00 -0.55 0.00 0.00 56.30 56.07 2kgl h ASN 104 Cb 0.92 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 39.24 2kgl h ASN 104 CO -0.18 0.00 -0.11 0.00 -1.65 0.00 0.00 177.43 175.50 2kgl n ALA 105 N -2.17 -0.09 -2.22 -0.83 0.00 0.99 -3.94 120.51 112.26 2kgl n ALA 105 Ca -0.01 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.51 2kgl n ALA 105 Cb 0.23 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.35 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 -0.64 -0.07 -4.33 0.00 5.15 -1.26 -4.18 115.26 109.93 2kgl n ASN 106 Ca -0.06 -1.97 -0.33 0.00 -0.60 0.00 0.00 54.58 51.62 2kgl n ASN 106 Cb 0.42 0.02 0.13 0.00 -0.53 0.00 0.00 39.78 39.82 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgl n TYR 107 N 0.22 -1.66 -4.51 1.20 9.36 -1.26 -4.17 117.16 116.35 2kgl n TYR 107 Ca -0.12 0.20 -0.23 0.00 3.32 0.00 0.00 57.90 61.07 2kgl n TYR 107 Cb 0.89 -1.67 -0.16 0.00 -0.63 0.00 0.00 39.34 37.76 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 0.22 0.00 0.00 176.86 177.42 2kgl s ASP 108 N -1.87 1.57 -0.12 2.98 2.15 -1.19 -4.89 116.67 115.30 2kgl s ASP 108 Ca 0.55 -0.26 -0.10 0.00 0.43 0.00 0.00 52.55 53.18 2kgl s ASP 108 Cb -0.17 -0.67 0.04 0.00 -0.30 0.00 0.00 42.92 41.82 2kgl s ASP 108 CO 0.68 0.03 0.31 0.68 -0.17 0.00 0.00 175.17 176.70 2kgl s VAL 109 N 0.58 -0.01 -0.17 1.11 -7.23 -1.26 -2.77 120.40 110.66 2kgl s VAL 109 Ca -0.12 0.03 -0.06 0.00 -1.81 0.00 0.00 61.98 60.02 2kgl s VAL 109 Cb -0.14 -0.44 0.08 0.00 0.56 0.00 0.00 36.38 36.44 2kgl s VAL 109 CO 0.03 0.01 0.36 -1.10 -0.31 0.00 0.00 175.10 174.08 2kgl s GLN 110 N 0.44 0.25 -0.18 4.82 -0.21 -0.49 -4.70 119.66 119.59 2kgl s GLN 110 Ca -0.02 0.92 0.01 0.00 0.02 0.00 0.00 55.36 56.29 2kgl s GLN 110 Cb -0.04 0.19 0.02 0.00 1.00 0.00 0.00 33.01 34.18 2kgl s GLN 110 CO -0.02 -0.27 -0.19 -0.98 -2.12 0.00 0.00 175.29 171.71 2kgl s ARG 111 N 2.54 3.01 0.00 2.91 1.70 0.83 -1.61 118.95 128.33 2kgl s ARG 111 Ca -0.00 -0.82 0.04 0.00 -0.47 0.00 0.00 55.73 54.48 2kgl s ARG 111 Cb -0.12 -2.58 -0.01 0.00 -0.57 0.00 0.00 34.95 31.66 2kgl s ARG 111 CO -0.11 -0.20 -0.13 0.12 -1.08 0.00 0.00 175.30 173.89 2kgl s PHE 112 N 1.28 1.20 -0.08 5.89 5.36 -0.24 -3.42 117.98 127.97 2kgl s PHE 112 Ca 0.05 -0.26 0.01 0.00 -0.96 0.00 0.00 56.93 55.77 2kgl s PHE 112 Cb -0.13 -0.75 0.02 0.00 -0.34 0.00 0.00 43.02 41.81 2kgl s PHE 112 CO -0.12 -0.00 -0.10 0.42 -1.46 0.00 0.00 175.22 173.96 2kgl s ILE 113 N -0.47 1.00 -0.11 3.12 1.01 -1.26 -1.27 121.20 123.22 2kgl s ILE 113 Ca 0.04 -0.36 -0.00 0.00 0.00 0.00 0.00 60.65 60.33 2kgl s ILE 113 Cb -0.06 -0.96 0.03 0.00 0.01 0.00 0.00 42.46 41.47 2kgl s ILE 113 CO -0.00 0.34 -0.07 -0.69 0.00 0.00 0.00 174.94 174.52 2kgl s VAL 114 N 1.03 1.00 0.00 2.92 1.01 -0.84 -5.02 120.40 120.50 2kgl s VAL 114 Ca -0.08 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.62 2kgl s VAL 114 Cb -0.15 -1.03 0.00 0.00 0.00 0.00 0.00 36.38 35.20 2kgl s VAL 114 CO -0.00 0.35 0.00 0.61 0.00 0.00 0.00 175.10 176.06 2kgl n GLY 115 N 4.95 0.43 0.00 4.51 0.00 -1.26 -0.10 105.19 113.72 2kgl n GLY 115 Ca -0.12 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.57 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 7.27 0.98 -4.92 1.61 7.64 -1.26 -5.04 113.62 119.90 2kgl n SER 116 Ca 0.00 -1.00 -0.27 0.00 1.01 0.00 0.00 58.87 58.60 2kgl n SER 116 Cb 0.00 0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.17 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 -0.00 6.39 -0.03 6.43 1.01 0.86 -4.45 116.67 126.88 2kgl s ASP 117 Ca 0.00 0.49 0.01 0.00 0.71 0.00 0.00 52.55 53.76 2kgl s ASP 117 Cb 0.00 -2.05 0.01 0.00 1.01 0.00 0.00 42.92 41.90 2kgl s ASP 117 CO 0.00 -0.11 -0.04 -0.60 0.21 0.00 0.00 175.17 174.63 2kgl s ARG 118 N -3.50 0.55 -0.06 8.23 3.52 -1.19 -1.99 118.95 124.50 2kgl s ARG 118 Ca 0.40 -0.09 0.02 0.00 -0.13 0.00 0.00 55.73 55.93 2kgl s ARG 118 Cb -0.11 -0.60 0.02 0.00 -1.56 0.00 0.00 34.95 32.70 2kgl s ARG 118 CO 0.30 -0.02 -0.11 0.00 -0.81 0.00 0.00 175.30 174.66 2kgl s ALA 119 N 0.57 1.13 -0.03 6.12 0.00 -0.40 -2.04 121.76 127.12 2kgl s ALA 119 Ca -0.07 -0.34 -0.01 0.00 0.00 0.00 0.00 51.96 51.55 2kgl s ALA 119 Cb -0.10 -0.54 0.03 0.00 0.00 0.00 0.00 23.12 22.51 2kgl s ALA 119 CO -0.00 0.08 0.05 -1.50 0.00 0.00 0.00 175.76 174.39 2kgl s ILE 120 N 0.73 -0.06 -0.09 0.00 2.07 -0.82 -1.08 121.20 121.95 2kgl s ILE 120 Ca -0.14 0.22 0.01 0.00 -1.41 0.00 0.00 60.65 59.33 2kgl s ILE 120 Cb -0.15 -0.11 0.02 0.00 0.13 0.00 0.00 42.46 42.34 2kgl s ILE 120 CO 0.03 0.09 -0.09 0.12 -1.91 0.00 0.00 174.94 173.18 2kgl s PHE 121 N 1.15 1.36 -0.16 3.50 2.19 -0.63 -2.87 117.98 122.52 2kgl s PHE 121 Ca -0.08 -0.59 -0.08 0.00 0.33 0.00 0.00 56.93 56.51 2kgl s PHE 121 Cb -0.13 -1.10 0.06 0.00 -1.31 0.00 0.00 43.02 40.55 2kgl s PHE 121 CO -0.04 -0.39 0.36 0.00 1.83 0.00 0.00 175.22 176.99 2kgl s MET 122 N 1.28 0.32 0.01 10.12 0.23 -1.18 -1.40 119.30 128.67 2kgl s MET 122 Ca -0.03 0.76 -0.02 0.00 -1.03 0.00 0.00 55.69 55.37 2kgl s MET 122 Cb -0.14 0.00 -0.01 0.00 -1.53 0.00 0.00 34.83 33.15 2kgl s MET 122 CO -0.03 -0.18 0.02 -1.17 -2.03 0.00 0.00 175.02 171.63 2kgl s LEU 123 N 1.62 1.99 0.47 0.18 2.96 -1.11 -3.09 118.68 121.68 2kgl s LEU 123 Ca -0.08 -0.27 0.23 0.00 -0.22 0.00 0.00 54.13 53.80 2kgl s LEU 123 Cb -0.10 0.22 1.24 0.00 0.50 0.00 0.00 46.19 48.06 2kgl s LEU 123 CO -0.11 -0.23 1.87 0.08 -1.32 0.00 0.00 176.35 176.64 2kgl h ARG 124 N 5.01 0.23 0.00 1.98 -0.00 -1.88 -3.15 114.38 116.58 2kgl h ARG 124 Ca -0.29 -0.01 0.00 0.00 -0.00 0.00 0.00 59.98 59.67 2kgl h ARG 124 Cb 1.21 -0.05 0.00 0.00 -0.00 0.00 0.00 29.97 31.12 2kgl h ARG 124 CO 0.43 0.15 0.00 -3.47 -0.00 0.00 0.00 179.97 177.08 2kgl n ASP 125 N -4.42 -1.07 0.00 0.08 -0.08 -1.26 -4.49 116.55 105.31 2kgl n ASP 125 Ca 0.18 -0.42 0.00 0.00 -1.51 0.00 0.00 54.79 53.05 2kgl n ASP 125 Cb 0.78 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.24 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 2kgl n GLY 126 N 2.19 1.23 0.44 0.27 0.00 -1.26 -3.35 105.19 104.71 2kgl n GLY 126 Ca 0.00 -0.11 0.26 0.00 0.00 0.00 0.00 46.02 46.17 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 0.00 -0.60 1.61 0.87 -1.96 0.18 113.55 113.65 2kgl h SER 127 Ca 0.00 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 60.51 2kgl h SER 127 Cb 0.00 0.00 -0.03 0.00 -0.44 0.00 0.00 62.40 61.93 2kgl h SER 127 CO 0.00 0.00 0.20 1.88 -0.53 0.00 0.00 176.83 178.38 2kgl h TYR 128 N 0.00 0.98 -0.12 2.24 -1.99 -2.00 -2.51 116.97 113.58 2kgl h TYR 128 Ca 0.37 -0.08 -0.12 0.00 2.00 0.00 0.00 58.73 60.89 2kgl h TYR 128 Cb 1.49 -0.29 -0.01 0.00 2.00 0.00 0.00 36.73 39.91 2kgl h TYR 128 CO 0.00 0.79 -0.47 0.00 -0.00 0.00 0.00 178.16 178.47 2kgl h ALA 129 N 1.29 0.98 -0.13 3.88 0.00 -0.94 -3.12 119.26 121.22 2kgl h ALA 129 Ca 0.21 -0.46 0.04 0.00 0.00 0.00 0.00 54.91 54.69 2kgl h ALA 129 Cb 0.26 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 17.93 2kgl h ALA 129 CO -0.01 0.64 -0.10 2.35 0.00 0.00 0.00 179.25 182.14 2kgl h TRP 130 N 0.24 -0.24 0.74 0.00 -0.00 -1.20 0.25 115.95 115.73 2kgl h TRP 130 Ca 0.01 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.89 2kgl h TRP 130 Cb 0.93 0.13 -0.00 0.00 -0.00 0.00 0.00 29.16 30.21 2kgl h TRP 130 CO 0.02 -0.15 -0.44 1.49 -0.00 0.00 0.00 178.44 179.36 2kgl h GLU 131 N -0.11 -1.07 -0.46 2.65 4.57 -1.53 -2.32 114.58 116.31 2kgl h GLU 131 Ca 0.08 0.07 0.13 0.00 -1.18 0.00 0.00 59.36 58.47 2kgl h GLU 131 Cb 0.23 0.24 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 2kgl h GLU 131 CO -0.20 -0.71 0.33 0.82 -1.18 0.00 0.00 179.01 178.08 2kgl h ILE 132 N -1.11 0.77 0.14 2.32 1.08 -1.47 -2.71 117.51 116.53 2kgl h ILE 132 Ca -0.10 -0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.38 2kgl h ILE 132 Cb 0.89 0.77 -0.03 0.00 -3.07 0.00 0.00 36.82 35.38 2kgl h ILE 132 CO 0.10 0.00 -0.37 0.50 -0.69 0.00 0.00 178.15 177.70 2kgl h LYS 133 N 0.00 -0.54 -0.83 2.37 3.11 0.07 0.97 116.57 121.72 2kgl h LYS 133 Ca 0.22 0.04 0.21 0.00 -2.81 0.00 0.00 60.65 58.31 2kgl h LYS 133 Cb 0.88 0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 32.19 2kgl h LYS 133 CO -0.00 -0.36 0.57 0.22 -2.81 0.00 0.00 179.45 177.07 2kgl h ASP 134 N -0.56 0.20 0.13 4.20 3.58 -1.42 0.24 116.42 122.80 2kgl h ASP 134 Ca -0.01 0.02 -0.13 0.00 0.42 0.00 0.00 57.03 57.33 2kgl h ASP 134 Cb 0.55 -0.02 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2kgl h ASP 134 CO -0.17 0.09 -0.46 0.15 -2.88 0.00 0.00 179.24 175.96 2kgl h PHE 135 N 0.21 0.48 0.26 0.28 3.04 -1.14 -2.66 116.94 117.40 2kgl h PHE 135 Ca 0.41 -0.15 -0.01 0.00 3.98 0.00 0.00 57.97 62.20 2kgl h PHE 135 Cb 1.29 -0.10 0.00 0.00 2.56 0.00 0.00 35.95 39.71 2kgl h PHE 135 CO -0.00 0.79 -0.12 1.25 -2.02 0.00 0.00 178.31 178.20 2kgl h LEU 136 N 0.32 -0.29 -1.98 0.59 5.85 0.19 -2.96 115.31 117.02 2kgl h LEU 136 Ca 0.02 0.01 0.25 0.00 0.84 0.00 0.00 57.88 59.00 2kgl h LEU 136 Cb 0.94 0.08 -0.04 0.00 0.37 0.00 0.00 40.66 42.01 2kgl h LEU 136 CO 0.08 -0.20 0.62 1.62 -0.34 0.00 0.00 178.44 180.22 2kgl h VAL 137 N -0.37 0.58 -0.91 1.05 3.04 -1.62 0.77 116.25 118.78 2kgl h VAL 137 Ca -0.04 -0.01 0.16 0.00 -1.01 0.00 0.00 66.70 65.81 2kgl h VAL 137 Cb 0.27 0.56 -0.07 0.00 -2.01 0.00 0.00 31.29 30.03 2kgl h VAL 137 CO 0.06 0.00 0.59 0.77 -1.01 0.00 0.00 177.57 177.98 2kgl h SER 138 N 0.02 0.61 0.21 3.17 4.64 -1.30 -2.30 113.55 118.60 2kgl h SER 138 Ca 0.41 0.05 -0.01 0.00 -0.47 0.00 0.00 61.79 61.77 2kgl h SER 138 Cb 1.62 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 63.64 2kgl h SER 138 CO -0.01 0.28 -0.10 1.56 -0.87 0.00 0.00 176.83 177.69 2kgl h GLN 139 N 0.63 -0.28 -2.41 4.77 4.20 -0.83 -3.39 115.11 117.81 2kgl h GLN 139 Ca 0.47 0.02 -0.35 0.00 0.06 0.00 0.00 58.65 58.85 2kgl h GLN 139 Cb 0.86 0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.68 2kgl h GLN 139 CO -0.22 0.11 -0.44 -3.47 -0.67 0.00 0.00 178.83 174.13 2kgl n ASP 140 N -5.01 -5.11 -2.66 1.46 2.03 -0.87 -4.82 116.55 101.58 2kgl n ASP 140 Ca -0.08 0.00 -0.04 0.00 0.52 0.00 0.00 54.79 55.19 2kgl n ASP 140 Cb 0.26 -4.19 0.03 0.00 -0.72 0.00 0.00 41.12 36.50 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 -2.66 0.19 -3.85 -0.67 0.63 -0.66 -4.81 116.66 104.82 2kgl n ARG 141 Ca -0.21 -0.73 -0.12 0.00 -0.92 0.00 0.00 57.85 55.88 2kgl n ARG 141 Cb 0.65 -0.06 -0.11 0.00 0.45 0.00 0.00 32.46 33.39 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 -0.72 0.95 -0.13 0.00 0.00 -1.26 -0.11 121.76 120.49 2kgl s ALA 143 Ca -0.08 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.49 2kgl s ALA 143 Cb -0.05 -0.62 0.04 0.00 0.00 0.00 0.00 23.12 22.49 2kgl s ALA 143 CO 0.01 -0.15 0.38 -1.21 0.00 0.00 0.00 175.76 174.79 2kgl s GLU 144 N 1.21 0.48 -0.14 0.00 2.02 0.53 -4.03 118.70 118.77 2kgl s GLU 144 Ca -0.06 0.47 -0.10 0.00 0.02 0.00 0.00 54.97 55.30 2kgl s GLU 144 Cb -0.14 0.23 0.05 0.00 0.10 0.00 0.00 34.13 34.37 2kgl s GLU 144 CO -0.02 -0.07 0.36 0.14 0.02 0.00 0.00 175.26 175.70 2kgl s VAL 145 N 0.06 -0.02 -0.14 2.63 -7.23 -1.25 -1.43 120.40 113.02 2kgl s VAL 145 Ca -0.01 0.06 -0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2kgl s VAL 145 Cb -0.03 -0.52 0.03 0.00 0.56 0.00 0.00 36.38 36.42 2kgl s VAL 145 CO 0.01 0.02 -0.09 0.42 -0.31 0.00 0.00 175.10 175.15 2kgl s THR 146 N 0.79 1.27 -0.18 5.32 -4.23 0.98 -4.76 115.64 114.82 2kgl s THR 146 Ca -0.05 -0.53 -0.06 0.00 -1.18 0.00 0.00 61.69 59.88 2kgl s THR 146 Cb -0.06 -1.29 0.08 0.00 1.34 0.00 0.00 72.50 72.58 2kgl s THR 146 CO -0.06 0.33 0.37 -0.22 -0.54 0.00 0.00 174.62 174.50 2kgl s LEU 147 N 1.60 -0.53 0.00 4.79 1.98 -1.24 -3.39 118.68 121.89 2kgl s LEU 147 Ca 0.04 0.83 0.01 0.00 -2.89 0.00 0.00 54.13 52.11 2kgl s LEU 147 Cb -0.13 1.13 -0.00 0.00 0.66 0.00 0.00 46.19 47.84 2kgl s LEU 147 CO -0.09 -0.24 0.42 1.21 -1.89 0.00 0.00 176.35 175.77 2kgl n GLU 148 N 5.38 0.61 -2.48 1.98 2.13 -1.26 -4.74 120.64 122.25 2kgl n GLU 148 Ca -0.08 -2.90 -0.02 0.00 0.66 0.00 0.00 57.16 54.83 2kgl n GLU 148 Cb 0.50 2.66 0.11 0.00 0.27 0.00 0.00 31.44 34.98 2kgl n GLU 148 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2kgl n GLY 149 N -0.58 1.61 2.30 8.31 0.00 -1.26 -3.98 105.19 111.59 2kgl n GLY 149 Ca 0.03 -0.14 -0.18 0.00 0.00 0.00 0.00 46.02 45.72 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 -1.32 0.87 0.00 1.61 6.02 -1.26 -4.83 117.38 118.46 2kgl n GLN 150 Ca -0.16 -3.02 0.00 0.00 -0.01 0.00 0.00 57.00 53.82 2kgl n GLN 150 Cb 0.82 -1.44 0.00 0.00 1.02 0.00 0.00 30.24 30.65 2kgl n GLN 150 CO 0.00 0.00 0.00 -1.33 -1.01 0.00 0.00 177.06 174.72 2kgl n MET 151 N 0.81 0.00 0.00 -1.09 2.81 -1.25 -5.10 117.12 113.30 2kgl n MET 151 Ca 0.20 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.09 2kgl n MET 151 Cb 0.62 0.00 0.00 0.00 -0.71 0.00 0.00 33.22 33.13 2kgl n MET 151 CO 0.00 0.00 0.00 0.98 1.51 0.00 0.00 175.97 178.46 2kgl n TYR 152 N -1.37 0.00 -0.70 2.03 9.36 -0.05 -5.03 117.16 121.40 2kgl n TYR 152 Ca 0.00 0.00 -0.11 0.00 3.32 0.00 0.00 57.90 61.11 2kgl n TYR 152 Cb 0.00 0.00 0.09 0.00 -0.63 0.00 0.00 39.34 38.80 2kgl n TYR 152 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 2kgl n PRO 153 N -0.01 -1.81 -0.02 2.98 -0.04 -0.93 -3.98 135.00 131.20 2kgl n PRO 153 Ca 0.00 -0.65 0.07 0.00 -0.04 0.00 0.00 63.50 62.88 2kgl n PRO 153 Cb 0.00 -0.61 -0.16 0.00 -0.04 0.00 0.00 33.50 32.69 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 -0.23 -1.02 0.37 0.55 0.00 -1.26 -4.34 105.19 99.26 2kgl n GLY 154 Ca 0.06 -0.47 0.12 0.00 0.00 0.00 0.00 46.02 45.72 2kgl n GLY 154 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2kgl h LYS 155 N 0.00 0.62 -0.26 1.61 2.10 -1.91 -3.34 116.57 115.39 2kgl h LYS 155 Ca -0.10 -0.04 -0.11 0.00 -2.00 0.00 0.00 60.65 58.40 2kgl h LYS 155 Cb 1.23 -0.14 -0.04 0.00 -0.90 0.00 0.00 32.23 32.38 2kgl h LYS 155 CO 0.01 0.41 -0.10 0.41 -2.00 0.00 0.00 179.45 178.18 2kgl n GLY 156 N -1.46 0.63 0.02 0.07 0.00 -1.26 -4.78 105.19 98.41 2kgl n GLY 156 Ca 0.16 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 46.09 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 -0.37 -0.34 3.33 -0.02 0.00 -1.26 -5.03 105.19 101.50 2kgl n GLY 157 Ca -0.05 -0.15 -0.15 0.00 0.00 0.00 0.00 46.02 45.66 2kgl n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 158 N 2.28 -1.16 0.00 -0.02 0.00 -1.26 -4.95 105.19 100.08 2kgl n GLY 158 Ca -0.06 0.52 0.00 0.00 0.00 0.00 0.00 46.02 46.49 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 -2.61 0.00 -3.54 1.61 7.64 -1.26 -4.91 113.62 110.54 2kgl n SER 159 Ca -0.07 0.83 -0.25 0.00 1.01 0.00 0.00 58.87 60.39 2kgl n SER 159 Cb 0.58 -0.33 0.04 0.00 -1.01 0.00 0.00 64.21 63.49 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 -1.76 -1.43 -0.02 1.43 4.81 -1.26 -4.92 118.16 115.00 2kgl n LYS 160 Ca 0.00 0.66 0.02 0.00 -0.87 0.00 0.00 58.31 58.13 2kgl n LYS 160 Cb 0.00 -4.48 -0.09 0.00 0.02 0.00 0.00 35.03 30.47 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 -3.64 0.96 -2.93 1.64 -0.58 -1.26 -4.99 120.64 109.83 2kgl n GLU 161 Ca -0.09 -0.08 -0.17 0.00 -0.42 0.00 0.00 57.16 56.40 2kgl n GLU 161 Cb 0.59 -1.30 -0.01 0.00 -0.57 0.00 0.00 31.44 30.16 2kgl n GLU 161 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 2kgl n LYS 162 N -2.10 -2.86 -3.82 3.49 5.02 -1.26 -4.92 118.16 111.71 2kgl n LYS 162 Ca -0.08 0.46 -0.36 0.00 -2.02 0.00 0.00 58.31 56.31 2kgl n LYS 162 Cb 0.51 -5.10 -0.13 0.00 -0.02 0.00 0.00 35.03 30.29 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 2kgl s ASN 163 N -2.38 4.76 0.92 4.39 2.47 -1.26 -5.10 114.94 118.73 2kgl s ASN 163 Ca 0.21 -0.38 -0.12 0.00 0.42 0.00 0.00 52.86 52.99 2kgl s ASN 163 Cb -0.11 -1.83 0.14 0.00 -1.45 0.00 0.00 41.25 38.00 2kgl s ASN 163 CO 0.26 -0.06 1.11 -0.54 -3.72 0.00 0.00 177.10 174.15 2kgl s LYS 164 N 1.53 1.09 -0.05 0.43 1.02 -1.26 -4.17 119.74 118.34 2kgl s LYS 164 Ca 0.05 0.47 -0.15 0.00 0.02 0.00 0.00 55.97 56.37 2kgl s LYS 164 Cb -0.15 -1.82 0.03 0.00 -0.52 0.00 0.00 37.83 35.37 2kgl s LYS 164 CO 0.00 -2.27 0.34 -0.08 -0.92 0.00 0.00 175.35 172.42 2kgl s THR 165 N -3.13 0.04 -0.09 2.17 -1.32 -1.26 -5.02 115.64 107.03 2kgl s THR 165 Ca 0.64 -0.32 -0.08 0.00 -1.21 0.00 0.00 61.69 60.72 2kgl s THR 165 Cb -0.16 -0.59 -0.03 0.00 -1.51 0.00 0.00 72.50 70.21 2kgl s THR 165 CO 0.55 -0.17 -0.15 0.29 -2.21 0.00 0.00 174.62 172.92 2kgl n LYS 166 N 1.74 0.29 -0.12 7.08 4.76 -1.26 -3.83 118.16 126.82 2kgl n LYS 166 Ca -0.19 0.28 -0.13 0.00 -2.87 0.00 0.00 58.31 55.40 2kgl n LYS 166 Cb 0.56 -1.19 -0.02 0.00 -1.84 0.00 0.00 35.03 32.54 2kgl n LYS 166 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 2kgl h PRO 167 N -0.60 0.95 0.00 1.97 0.13 -2.01 -2.94 132.00 129.50 2kgl h PRO 167 Ca 0.00 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 2kgl h PRO 167 Cb 0.44 0.02 0.00 0.00 0.13 0.00 0.00 31.00 31.58 2kgl h PRO 167 CO 0.00 1.16 0.00 1.49 -0.23 0.00 0.00 178.00 180.42 2kgl h GLU 168 N 0.77 0.00 -0.09 0.86 4.57 -1.97 -2.87 114.58 115.86 2kgl h GLU 168 Ca 0.06 0.00 -0.14 0.00 -1.18 0.00 0.00 59.36 58.10 2kgl h GLU 168 Cb 0.98 0.00 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 2kgl h GLU 168 CO 0.10 0.00 -0.55 -0.22 -1.18 0.00 0.00 179.01 177.16 2kgl h LYS 169 N 0.00 0.28 0.00 1.92 3.64 -1.62 -2.99 116.57 117.80 2kgl h LYS 169 Ca 0.00 -0.17 -0.11 0.00 -1.27 0.00 0.00 60.65 59.10 2kgl h LYS 169 Cb 0.55 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.38 2kgl h LYS 169 CO 0.00 0.75 -0.53 0.00 -2.27 0.00 0.00 179.45 177.40 2kgl h ALA 170 N 1.22 0.66 -0.38 5.00 0.00 -1.54 -2.93 119.26 121.29 2kgl h ALA 170 Ca 0.00 -0.48 -0.03 0.00 0.00 0.00 0.00 54.91 54.40 2kgl h ALA 170 Cb 1.03 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 2kgl h ALA 170 CO 0.09 0.66 0.11 -0.22 0.00 0.00 0.00 179.25 179.88 2kgl h LYS 171 N 0.00 0.60 0.00 0.00 3.64 -1.46 0.18 116.57 119.53 2kgl h LYS 171 Ca -0.01 -0.14 -0.17 0.00 -1.27 0.00 0.00 60.65 59.07 2kgl h LYS 171 Cb 1.40 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.12 2kgl h LYS 171 CO 0.07 0.62 -0.79 -0.22 -2.27 0.00 0.00 179.45 176.86 2kgl h LYS 172 N 0.47 0.00 -0.15 1.90 3.64 -1.62 -2.37 116.57 118.44 2kgl h LYS 172 Ca 0.12 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.34 2kgl h LYS 172 Cb 0.28 0.00 0.01 0.00 -0.41 0.00 0.00 32.23 32.11 2kgl h LYS 172 CO -0.00 0.79 -0.55 0.87 -2.27 0.00 0.00 179.45 178.29 2kgl h LYS 173 N 0.00 0.64 0.57 1.90 1.79 -1.32 -3.35 116.57 116.79 2kgl h LYS 173 Ca -0.01 -0.48 -0.03 0.00 -2.18 0.00 0.00 60.65 57.95 2kgl h LYS 173 Cb 1.40 0.09 0.01 0.00 -1.58 0.00 0.00 32.23 32.14 2kgl h LYS 173 CO 0.10 1.10 -0.27 0.93 -1.08 0.00 0.00 179.45 180.23 2kgl h GLU 174 N 0.30 -0.73 0.00 3.15 4.39 -0.69 -3.49 114.58 117.51 2kgl h GLU 174 Ca -0.03 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.72 2kgl h GLU 174 Cb 1.17 0.17 0.00 0.00 -0.10 0.00 0.00 28.75 29.99 2kgl h GLU 174 CO 0.12 -0.48 0.00 0.41 -1.16 0.00 0.00 179.01 177.89 2kgl n GLY 175 N -0.16 0.60 0.40 -3.84 0.00 -0.90 -4.48 105.19 96.81 2kgl n GLY 175 Ca -0.10 0.51 -0.15 0.00 0.00 0.00 0.00 46.02 46.28 2kgl n GLY 175 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kgl h ASP 176 N 0.00 -0.83 -0.08 1.61 5.19 -1.78 -1.48 116.42 119.05 2kgl h ASP 176 Ca 0.00 0.03 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2kgl h ASP 176 Cb 0.00 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.72 2kgl h ASP 176 CO 0.00 -0.48 -0.07 1.55 -3.12 0.00 0.00 179.24 177.11 2kgl h PRO 177 N -1.21 0.18 -2.41 3.56 0.13 -1.94 -3.36 132.00 126.95 2kgl h PRO 177 Ca -0.10 -0.10 -0.65 0.00 -0.87 0.00 0.00 66.00 64.29 2kgl h PRO 177 Cb 0.75 0.00 -0.39 0.00 0.13 0.00 0.00 31.00 31.50 2kgl h PRO 177 CO 0.17 0.62 -0.31 1.17 -0.23 0.00 0.00 178.00 179.42 2kgl n LYS 178 N -4.70 2.89 -2.19 0.86 3.00 -1.25 -5.06 118.16 111.70 2kgl n LYS 178 Ca -0.07 -4.64 -0.35 0.00 -0.00 0.00 0.00 58.31 53.25 2kgl n LYS 178 Cb 0.31 -2.32 0.01 0.00 0.00 0.00 0.00 35.03 33.03 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 177.40 176.15 2kgl s PRO 179 N -2.46 3.27 -0.91 1.64 0.04 -0.56 -4.05 135.00 131.97 2kgl s PRO 179 Ca 0.37 1.58 -0.07 0.00 0.04 0.00 0.00 61.00 62.92 2kgl s PRO 179 Cb 0.11 -2.00 -0.01 0.00 0.04 0.00 0.00 34.50 32.65 2kgl s PRO 179 CO 0.00 -0.91 0.73 0.54 0.04 0.00 0.00 177.00 177.40 2kgl n ARG 180 N -1.46 -1.42 0.00 4.56 1.74 -1.26 -4.80 116.66 114.02 2kgl n ARG 180 Ca 0.11 0.94 0.00 0.00 -0.77 0.00 0.00 57.85 58.13 2kgl n ARG 180 Cb 0.51 -4.40 0.00 0.00 -1.02 0.00 0.00 32.46 27.55 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl n ALA 181 N -2.86 0.00 -0.28 7.54 0.00 -1.26 -4.97 120.51 118.68 2kgl n ALA 181 Ca -0.11 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.39 2kgl n ALA 181 Cb 0.59 0.00 0.21 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 0.46 -1.00 0.00 4.64 -1.79 0.18 113.55 116.05 2kgl h SER 182 Ca 0.00 0.10 0.08 0.00 -0.47 0.00 0.00 61.79 61.50 2kgl h SER 182 Cb 0.00 0.03 -0.07 0.00 -0.31 0.00 0.00 62.40 62.05 2kgl h SER 182 CO 0.00 0.19 0.64 0.11 -0.87 0.00 0.00 176.83 176.90 2kgl h LYS 183 N 0.57 1.08 -0.34 4.77 1.79 -1.89 0.72 116.57 123.27 2kgl h LYS 183 Ca 0.45 -0.07 0.07 0.00 -2.18 0.00 0.00 60.65 58.92 2kgl h LYS 183 Cb 0.65 -0.24 -0.06 0.00 -1.58 0.00 0.00 32.23 30.99 2kgl h LYS 183 CO -0.37 0.72 -0.09 0.93 -1.08 0.00 0.00 179.45 179.56 2kgl h GLU 184 N 1.11 -0.00 -0.24 3.15 4.39 -1.34 -0.66 114.58 120.99 2kgl h GLU 184 Ca 0.45 0.00 -0.20 0.00 0.34 0.00 0.00 59.36 59.95 2kgl h GLU 184 Cb 0.27 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.93 2kgl h GLU 184 CO -0.20 -0.00 -0.64 -0.44 -1.16 0.00 0.00 179.01 176.57 2kgl h ASP 185 N -0.00 0.97 -0.89 1.42 3.32 -1.34 -2.68 116.42 117.22 2kgl h ASP 185 Ca 0.16 -0.57 0.14 0.00 0.02 0.00 0.00 57.03 56.78 2kgl h ASP 185 Cb 0.25 -0.28 -0.09 0.00 0.22 0.00 0.00 39.33 39.43 2kgl h ASP 185 CO -0.35 1.37 0.49 -1.13 -1.72 0.00 0.00 179.24 177.90 2kgl h ASN 186 N 0.62 0.65 1.64 6.45 -0.00 -0.29 0.25 115.58 124.89 2kgl h ASN 186 Ca -0.01 0.08 0.00 0.00 -0.00 0.00 0.00 56.30 56.37 2kgl h ASN 186 Cb 1.26 -0.04 0.00 0.00 -0.00 0.00 0.00 38.32 39.54 2kgl h ASN 186 CO 0.14 0.30 0.00 0.03 -0.00 0.00 0.00 177.43 177.89 2kgl h ARG 187 N 0.72 0.00 -0.82 6.67 3.08 -1.12 -3.26 114.38 119.65 2kgl h ARG 187 Ca 0.47 0.00 0.01 0.00 0.07 0.00 0.00 59.98 60.53 2kgl h ARG 187 Cb 0.61 0.00 -0.04 0.00 0.08 0.00 0.00 29.97 30.62 2kgl h ARG 187 CO -0.33 0.00 0.54 0.00 -1.07 0.00 0.00 179.97 179.11 2kgl h ALA 188 N 2.35 1.42 0.00 0.04 0.00 -0.15 -3.45 119.26 119.47 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 -0.33 0.00 0.00 0.00 0.00 0.00 17.79 18.28 2kgl h ALA 188 CO 0.00 0.53 0.00 0.41 0.00 0.00 0.00 179.25 180.19 2kgl n GLY 189 N -1.41 -0.43 3.78 0.00 0.00 -1.19 -3.71 105.19 102.23 2kgl n GLY 189 Ca 0.09 0.29 -0.34 0.00 0.00 0.00 0.00 46.02 46.07 2kgl n GLY 189 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kgl s SER 190 N 0.00 4.14 -0.98 1.61 0.01 -1.24 -3.27 113.70 113.97 2kgl s SER 190 Ca 0.00 -1.71 -0.06 0.00 1.31 0.00 0.00 55.95 55.49 2kgl s SER 190 Cb 0.00 0.68 -0.04 0.00 0.21 0.00 0.00 66.02 66.87 2kgl s SER 190 CO 0.00 -0.92 0.84 -1.14 0.41 0.00 0.00 173.24 172.43 2kgl n ARG 191 N -1.30 -1.88 -4.38 12.44 0.63 -1.26 -2.41 116.66 118.49 2kgl n ARG 191 Ca -0.21 0.96 -0.39 0.00 -0.92 0.00 0.00 57.85 57.29 2kgl n ARG 191 Cb 0.67 -5.51 -0.08 0.00 0.45 0.00 0.00 32.46 27.98 2kgl n ARG 191 CO 0.00 0.00 0.00 2.89 -2.51 0.00 0.00 177.63 178.01 2kgl n ARG 192 N -2.99 -0.77 -0.02 -0.14 1.85 -1.26 -4.74 116.66 108.59 2kgl n ARG 192 Ca -0.06 0.12 -0.02 0.00 -1.00 0.00 0.00 57.85 56.89 2kgl n ARG 192 Cb 0.59 -4.29 -0.01 0.00 -1.05 0.00 0.00 32.46 27.69 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -0.01 0.00 0.00 177.63 175.71 2kgl n GLU 193 N -4.01 0.08 -3.63 2.89 2.13 -1.01 -5.02 120.64 112.06 2kgl n GLU 193 Ca 0.03 0.02 -0.27 0.00 0.66 0.00 0.00 57.16 57.60 2kgl n GLU 193 Cb 0.48 -0.99 0.01 0.00 0.27 0.00 0.00 31.44 31.21 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kgl n ASP 194 N -2.68 -4.43 0.00 4.31 2.03 -1.20 -4.90 116.55 109.67 2kgl n ASP 194 Ca -0.06 -0.59 0.00 0.00 0.52 0.00 0.00 54.79 54.66 2kgl n ASP 194 Cb 0.56 -3.59 0.00 0.00 -0.72 0.00 0.00 41.12 37.36 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17