#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 4.10 0.56 0.00 1.47 -1.26 -4.70 116.67 116.84 2kgl s ASP 2 Ca 0.00 -0.36 -0.18 0.00 1.18 0.00 0.00 52.55 53.19 2kgl s ASP 2 Cb 0.00 -0.76 -0.05 0.00 -0.34 0.00 0.00 42.92 41.77 2kgl s ASP 2 CO 0.00 0.25 1.10 0.42 0.68 0.00 0.00 175.17 177.61 2kgl s THR 3 N -1.00 3.40 0.60 2.11 -4.23 -1.26 -5.01 115.64 110.24 2kgl s THR 3 Ca 0.16 0.80 -0.17 0.00 -1.18 0.00 0.00 61.69 61.30 2kgl s THR 3 Cb -0.11 -3.30 -0.03 0.00 1.34 0.00 0.00 72.50 70.40 2kgl s THR 3 CO 0.07 -0.26 1.12 -2.16 -0.54 0.00 0.00 174.62 172.86 2kgl s PRO 4 N -3.53 3.10 -0.26 3.99 0.04 -1.26 -5.05 135.00 132.03 2kgl s PRO 4 Ca 0.69 1.51 -0.02 0.00 0.04 0.00 0.00 61.00 63.22 2kgl s PRO 4 Cb -0.21 -1.98 0.08 0.00 0.04 0.00 0.00 34.50 32.44 2kgl s PRO 4 CO 0.29 -1.03 0.07 0.20 0.04 0.00 0.00 177.00 176.57 2kgl s GLY 5 N -2.14 0.86 0.00 0.56 0.00 -1.26 -4.88 107.32 100.46 2kgl s GLY 5 Ca 0.70 -1.21 0.00 0.00 0.00 0.00 0.00 44.72 44.21 2kgl s GLY 5 CO 0.34 1.59 0.00 -2.21 0.00 0.00 0.00 173.10 172.81 2kgl n GLU 6 N 4.98 0.00 -3.70 2.90 0.00 -1.26 -5.06 120.64 118.50 2kgl n GLU 6 Ca -0.06 0.00 -0.28 0.00 0.00 0.00 0.00 57.16 56.82 2kgl n GLU 6 Cb 0.44 0.00 -0.12 0.00 0.00 0.00 0.00 31.44 31.76 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 2kgl s ALA 7 N -1.89 2.67 0.09 4.31 0.00 -1.26 -5.10 121.76 120.58 2kgl s ALA 7 Ca 0.00 -3.11 0.09 0.00 0.00 0.00 0.00 51.96 48.95 2kgl s ALA 7 Cb 0.00 -1.93 -0.03 0.00 0.00 0.00 0.00 23.12 21.16 2kgl s ALA 7 CO 0.00 -2.05 -0.25 -0.08 0.00 0.00 0.00 175.76 173.38 2kgl s THR 8 N -0.53 2.03 0.96 0.00 -1.32 -1.26 -5.14 115.64 110.38 2kgl s THR 8 Ca 0.25 -1.52 -0.12 0.00 -1.21 0.00 0.00 61.69 59.09 2kgl s THR 8 Cb -0.07 -1.78 0.17 0.00 -1.51 0.00 0.00 72.50 69.30 2kgl s THR 8 CO -0.13 0.16 1.09 -2.16 -2.21 0.00 0.00 174.62 171.38 2kgl s PRO 9 N -1.65 0.75 0.96 7.08 0.04 -1.26 -5.04 135.00 135.88 2kgl s PRO 9 Ca 0.11 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 61.66 2kgl s PRO 9 Cb -0.10 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.84 2kgl s PRO 9 CO 0.04 -2.54 1.09 -1.25 0.04 0.00 0.00 177.00 174.38 2kgl s PRO 10 N -4.95 0.73 -1.18 0.56 0.04 -1.26 -4.88 135.00 124.05 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 -0.09 0.00 0.04 0.00 0.00 34.50 32.51 2kgl s PRO 10 CO 0.57 -2.56 1.93 -1.25 0.04 0.00 0.00 177.00 175.74 2kgl s PRO 11 N -4.95 2.50 0.41 0.56 0.04 -1.26 -4.74 135.00 127.56 2kgl s PRO 11 Ca 0.65 -1.15 0.09 0.00 0.04 0.00 0.00 61.00 60.62 2kgl s PRO 11 Cb -0.18 -5.24 0.86 0.00 0.04 0.00 0.00 34.50 29.98 2kgl s PRO 11 CO 0.57 -3.97 2.00 0.00 0.04 0.00 0.00 177.00 175.64 2kgl h ARG 12 N 9.75 0.36 0.00 4.56 3.08 -1.99 -3.35 114.38 126.79 2kgl h ARG 12 Ca 0.21 -0.05 -0.04 0.00 0.07 0.00 0.00 59.98 60.18 2kgl h ARG 12 Cb 0.94 -0.07 -0.05 0.00 0.08 0.00 0.00 29.97 30.87 2kgl h ARG 12 CO 1.22 0.34 -0.18 1.63 -1.07 0.00 0.00 179.97 181.91 2kgl n LYS 13 N -4.39 0.00 -0.01 0.04 4.01 -1.26 -4.82 118.16 111.72 2kgl n LYS 13 Ca 0.01 -0.47 0.06 0.00 -0.51 0.00 0.00 58.31 57.40 2kgl n LYS 13 Cb 0.15 0.07 0.06 0.00 -0.51 0.00 0.00 35.03 34.80 2kgl n LYS 13 CO 0.00 0.00 0.00 1.63 -1.11 0.00 0.00 177.40 177.92 2kgl n LYS 14 N 0.02 0.84 -0.51 1.97 5.02 -1.26 -3.98 118.16 120.27 2kgl n LYS 14 Ca -0.07 -1.29 -0.00 0.00 -2.02 0.00 0.00 58.31 54.93 2kgl n LYS 14 Cb 0.61 -1.24 -0.00 0.00 -0.02 0.00 0.00 35.03 34.37 2kgl n LYS 14 CO 0.00 0.00 0.00 1.17 -0.52 0.00 0.00 177.40 178.05 2kgl n LYS 15 N 0.71 0.00 -0.09 1.97 4.81 -1.26 -3.74 118.16 120.55 2kgl n LYS 15 Ca 0.08 -0.39 -0.09 0.00 -0.87 0.00 0.00 58.31 57.03 2kgl n LYS 15 Cb 0.32 -0.18 -0.14 0.00 0.02 0.00 0.00 35.03 35.04 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.25 1.17 0.00 0.00 177.40 178.32 2kgl n ASP 16 N 0.00 0.60 -2.58 3.14 8.00 -1.26 -5.06 116.55 119.39 2kgl n ASP 16 Ca -0.00 -0.01 -0.05 0.00 0.71 0.00 0.00 54.79 55.44 2kgl n ASP 16 Cb 0.58 0.87 -0.04 0.00 -0.02 0.00 0.00 41.12 42.50 2kgl n ASP 16 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kgl n ILE 17 N -2.71-13.07 -1.67 0.53 -0.00 -1.26 -4.51 119.36 96.67 2kgl n ILE 17 Ca -0.30 2.87 -0.53 0.00 -0.00 0.00 0.00 62.75 64.78 2kgl n ILE 17 Cb 1.08 -6.54 -0.06 0.00 -0.00 0.00 0.00 39.64 34.13 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 1.75 1.55 -2.14 0.38 3.00 -1.26 0.05 116.66 119.99 2kgl n ARG 18 Ca -0.39 0.56 -0.13 0.00 -0.01 0.00 0.00 57.85 57.87 2kgl n ARG 18 Cb 0.61 -2.36 -0.02 0.00 0.00 0.00 0.00 32.46 30.69 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 6.41 -3.96 -4.13 0.55 -0.08 -0.71 -0.33 116.55 114.30 2kgl n ASP 19 Ca 0.27 0.22 -0.36 0.00 -1.51 0.00 0.00 54.79 53.41 2kgl n ASP 19 Cb 0.21 -3.44 -0.07 0.00 2.34 0.00 0.00 41.12 40.16 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 -3.02 -1.18 0.00 -0.67 0.18 0.11 -3.68 117.16 108.90 2kgl n TYR 20 Ca -0.15 0.57 0.00 0.00 1.88 0.00 0.00 57.90 60.20 2kgl n TYR 20 Cb 0.57 -1.65 0.00 0.00 -0.38 0.00 0.00 39.34 37.88 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -2.08 0.00 0.00 176.86 173.07 2kgl n ASN 21 N -2.16 0.00 0.34 9.48 5.15 -0.75 -4.95 115.26 122.37 2kgl n ASN 21 Ca 0.10 0.00 0.23 0.00 -0.60 0.00 0.00 54.58 54.31 2kgl n ASN 21 Cb 0.43 0.00 1.21 0.00 -0.53 0.00 0.00 39.78 40.89 2kgl n ASN 21 CO 0.00 0.00 0.00 0.44 1.40 0.00 0.00 177.26 179.10 2kgl h ASP 22 N 0.00 0.00 0.17 1.20 5.19 -0.75 -2.96 116.42 119.27 2kgl h ASP 22 Ca 0.00 0.00 0.01 0.00 -0.62 0.00 0.00 57.03 56.42 2kgl h ASP 22 Cb 0.00 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 39.47 2kgl h ASP 22 CO 0.00 0.00 -0.53 0.00 -3.12 0.00 0.00 179.24 175.59 2kgl h ALA 23 N 1.99 -1.02 -0.99 3.45 0.00 -1.71 0.33 119.26 121.32 2kgl h ALA 23 Ca 0.00 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 54.81 2kgl h ALA 23 Cb 0.01 0.88 -0.05 0.00 0.00 0.00 0.00 17.79 18.63 2kgl h ALA 23 CO 0.00 -1.14 0.65 -0.44 0.00 0.00 0.00 179.25 178.32 2kgl h ASP 24 N -0.79 1.11 -0.78 0.00 3.32 -1.86 -2.29 116.42 115.14 2kgl h ASP 24 Ca -0.01 -0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.02 2kgl h ASP 24 Cb 0.77 -0.27 -0.04 0.00 0.22 0.00 0.00 39.33 40.02 2kgl h ASP 24 CO -0.26 0.79 0.50 0.24 -1.72 0.00 0.00 179.24 178.79 2kgl h MET 25 N 1.30 1.03 -0.91 3.56 2.86 -1.44 -2.11 114.93 119.23 2kgl h MET 25 Ca 0.37 -0.07 0.19 0.00 -2.06 0.00 0.00 59.70 58.13 2kgl h MET 25 Cb -0.10 -0.23 -0.07 0.00 0.06 0.00 0.00 31.60 31.26 2kgl h MET 25 CO -0.10 0.70 0.59 0.00 1.06 0.00 0.00 176.91 179.17 2kgl h ALA 26 N 1.27 2.09 -0.09 6.32 0.00 0.24 0.24 119.26 129.33 2kgl h ALA 26 Ca 0.28 0.02 -0.00 0.00 0.00 0.00 0.00 54.91 55.22 2kgl h ALA 26 Cb -0.10 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 17.64 2kgl h ALA 26 CO -0.06 -0.37 0.05 0.00 0.00 0.00 0.00 179.25 178.87 2kgl h ARG 27 N 0.49 0.12 -0.70 0.00 3.08 -1.35 -2.38 114.38 113.64 2kgl h ARG 27 Ca 0.47 -0.01 0.12 0.00 0.07 0.00 0.00 59.98 60.64 2kgl h ARG 27 Cb 1.06 -0.03 -0.09 0.00 0.08 0.00 0.00 29.97 30.99 2kgl h ARG 27 CO -0.20 0.09 0.28 -0.07 -1.07 0.00 0.00 179.97 179.00 2kgl h LEU 28 N 0.12 0.27 -1.72 3.04 3.38 -0.57 0.11 115.31 119.94 2kgl h LEU 28 Ca 0.03 0.10 0.14 0.00 0.09 0.00 0.00 57.88 58.24 2kgl h LEU 28 Cb 0.01 0.07 -0.04 0.00 0.09 0.00 0.00 40.66 40.79 2kgl h LEU 28 CO -0.01 0.13 0.44 0.25 0.09 0.00 0.00 178.44 179.34 2kgl h LEU 29 N 0.44 0.26 -1.11 1.67 5.85 -1.53 0.24 115.31 121.13 2kgl h LEU 29 Ca 0.37 0.01 -0.07 0.00 0.84 0.00 0.00 57.88 59.04 2kgl h LEU 29 Cb 0.52 -0.04 -0.01 0.00 0.37 0.00 0.00 40.66 41.50 2kgl h LEU 29 CO -0.36 0.14 -0.33 -0.33 -0.34 0.00 0.00 178.44 177.22 2kgl h GLU 30 N 0.29 0.00 -0.83 1.25 4.39 -0.89 -3.13 114.58 115.66 2kgl h GLU 30 Ca 0.31 0.00 0.17 0.00 0.34 0.00 0.00 59.36 60.18 2kgl h GLU 30 Cb 0.83 0.00 -0.11 0.00 -0.10 0.00 0.00 28.75 29.37 2kgl h GLU 30 CO -0.07 0.33 0.36 0.37 -1.16 0.00 0.00 179.01 178.83 2kgl h GLN 31 N 0.00 0.45 -0.67 2.33 4.15 -0.30 0.20 115.11 121.28 2kgl h GLN 31 Ca -0.00 -0.03 -0.02 0.00 0.77 0.00 0.00 58.65 59.37 2kgl h GLN 31 Cb 0.79 -0.10 -0.03 0.00 0.21 0.00 0.00 27.48 28.34 2kgl h GLN 31 CO 0.04 0.30 0.35 -1.49 -1.93 0.00 0.00 178.83 176.10 2kgl h TRP 32 N 0.46 0.91 -0.28 3.99 6.55 -1.65 -1.17 115.95 124.77 2kgl h TRP 32 Ca 0.47 -0.02 -0.16 0.00 0.95 0.00 0.00 58.89 60.13 2kgl h TRP 32 Cb 0.78 -0.29 -0.00 0.00 -0.86 0.00 0.00 29.16 28.78 2kgl h TRP 32 CO -0.15 0.65 -0.47 0.93 -1.05 0.00 0.00 178.44 178.36 2kgl h GLU 33 N 0.94 0.81 0.00 0.49 3.07 -0.84 -2.94 114.58 116.10 2kgl h GLU 33 Ca 0.24 -0.50 0.00 0.00 -0.50 0.00 0.00 59.36 58.60 2kgl h GLU 33 Cb 0.05 0.05 0.00 0.00 -0.84 0.00 0.00 28.75 28.01 2kgl h GLU 33 CO -0.04 1.13 0.00 1.57 -1.40 0.00 0.00 179.01 180.27 2kgl h LYS 34 N 0.58 0.00 -0.97 2.33 5.09 -0.61 -2.99 116.57 120.00 2kgl h LYS 34 Ca 0.02 0.00 0.19 0.00 0.09 0.00 0.00 60.65 60.95 2kgl h LYS 34 Cb 1.07 0.00 -0.09 0.00 0.10 0.00 0.00 32.23 33.31 2kgl h LYS 34 CO 0.11 0.00 0.61 0.22 -2.09 0.00 0.00 179.45 178.30 2kgl h ASP 35 N 0.00 0.64 0.00 7.07 3.58 -1.03 0.32 116.42 126.99 2kgl h ASP 35 Ca 0.00 0.07 -0.22 0.00 0.42 0.00 0.00 57.03 57.30 2kgl h ASP 35 Cb 0.45 -0.05 -0.03 0.00 1.72 0.00 0.00 39.33 41.43 2kgl h ASP 35 CO 0.00 0.24 -1.26 -0.67 -2.88 0.00 0.00 179.24 174.67 2kgl n ASP 36 N -4.65 1.86 0.00 2.28 2.03 -1.14 -4.63 116.55 112.30 2kgl n ASP 36 Ca 0.21 0.44 0.00 0.00 0.52 0.00 0.00 54.79 55.97 2kgl n ASP 36 Cb 0.62 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 40.08 2kgl n ASP 36 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kgl n ASP 37 N -4.44 0.00 -2.69 1.67 2.03 -1.10 -4.98 116.55 107.03 2kgl n ASP 37 Ca -0.31 0.98 -0.01 0.00 0.52 0.00 0.00 54.79 55.97 2kgl n ASP 37 Cb 0.64 -0.48 0.00 0.00 -0.72 0.00 0.00 41.12 40.57 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 -8.28 0.00 5.18 5.41 0.11 -5.01 119.36 114.84 2kgl n ILE 38 Ca 0.00 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.69 2kgl n ILE 38 Cb 0.00 -6.23 0.00 0.00 -0.71 0.00 0.00 39.64 32.70 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kgl n GLU 39 N -1.42 0.00 -1.69 0.38 4.07 -1.26 -5.08 120.64 115.64 2kgl n GLU 39 Ca 0.01 0.24 0.00 0.00 -0.06 0.00 0.00 57.16 57.36 2kgl n GLU 39 Cb 0.48 -0.94 0.00 0.00 -0.06 0.00 0.00 31.44 30.92 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 -1.23 0.00 0.00 5.31 2.13 -1.26 -5.04 120.64 120.54 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 1.00 3.57 8.31 0.00 -1.26 -4.30 105.19 112.52 2kgl n GLY 41 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2kgl n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2kgl s ASP 42 N -1.02 5.60 0.33 1.61 -1.08 -1.26 -4.00 116.67 116.85 2kgl s ASP 42 Ca 0.00 -1.32 0.00 0.00 -0.52 0.00 0.00 52.55 50.71 2kgl s ASP 42 Cb 0.00 -2.57 -0.03 0.00 -1.46 0.00 0.00 42.92 38.85 2kgl s ASP 42 CO 0.00 -2.39 0.54 -0.76 0.52 0.00 0.00 175.17 173.08 2kgl s LEU 43 N 8.58 4.03 0.14 -1.34 2.01 -1.26 -5.02 118.68 125.83 2kgl s LEU 43 Ca 0.63 0.46 -0.11 0.00 0.01 0.00 0.00 54.13 55.12 2kgl s LEU 43 Cb -0.02 -3.32 -0.04 0.00 0.01 0.00 0.00 46.19 42.82 2kgl s LEU 43 CO 0.02 -0.27 1.47 1.55 1.01 0.00 0.00 176.35 180.14 2kgl h PRO 44 N 0.91 0.95 -5.25 1.29 0.13 -1.94 -3.49 132.00 124.60 2kgl h PRO 44 Ca -0.49 -0.50 0.00 0.00 -0.87 0.00 0.00 66.00 64.13 2kgl h PRO 44 Cb 1.21 0.02 -0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kgl h PRO 44 CO 0.62 1.16 -1.00 0.39 -0.23 0.00 0.00 178.00 178.94 2kgl n GLU 45 N -4.06 -3.24 -0.19 0.86 1.02 -1.26 -4.88 120.64 108.89 2kgl n GLU 45 Ca -0.02 2.63 -0.02 0.00 -0.02 0.00 0.00 57.16 59.74 2kgl n GLU 45 Cb 0.55 -5.01 0.20 0.00 -0.02 0.00 0.00 31.44 27.16 2kgl n GLU 45 CO 0.00 0.00 0.00 1.12 1.18 0.00 0.00 177.13 179.43 2kgl h HIS 46 N 3.12 0.94 0.00 -0.32 2.07 -1.96 -3.45 115.15 115.56 2kgl h HIS 46 Ca -0.00 -0.03 0.00 0.00 -2.85 0.00 0.00 60.37 57.48 2kgl h HIS 46 Cb 0.10 -0.30 0.00 0.00 2.57 0.00 0.00 27.41 29.78 2kgl h HIS 46 CO 0.01 0.68 0.00 1.63 -3.07 0.00 0.00 177.93 177.18 2kgl n LYS 47 N -4.34 0.00 -3.19 5.12 5.02 -1.26 -5.07 118.16 114.44 2kgl n LYS 47 Ca 0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.23 2kgl n LYS 47 Cb 0.13 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.15 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 -0.52 0.00 0.00 177.40 174.75 2kgl n ARG 48 N -0.26 -1.76 -2.09 1.97 3.00 -1.26 -4.48 116.66 111.78 2kgl n ARG 48 Ca 0.00 1.55 -0.43 0.00 -0.00 0.00 0.00 57.85 58.97 2kgl n ARG 48 Cb 0.00 -4.64 -0.03 0.00 0.00 0.00 0.00 32.46 27.80 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 -3.15 3.43 0.26 -0.14 0.04 -1.26 -4.80 135.00 129.38 2kgl s PRO 49 Ca 0.13 1.33 0.08 0.00 0.04 0.00 0.00 61.00 62.58 2kgl s PRO 49 Cb -0.03 -4.14 -0.04 0.00 0.04 0.00 0.00 34.50 30.33 2kgl s PRO 49 CO 0.80 -1.74 0.08 -1.54 0.04 0.00 0.00 177.00 174.64 2kgl s SER 50 N 5.42 4.96 0.11 6.66 1.04 -1.26 -5.13 113.70 125.50 2kgl s SER 50 Ca 0.75 -0.48 -0.10 0.00 0.48 0.00 0.00 55.95 56.60 2kgl s SER 50 Cb -0.21 -1.08 0.01 0.00 0.10 0.00 0.00 66.02 64.84 2kgl s SER 50 CO 0.33 -0.02 0.25 0.00 0.98 0.00 0.00 173.24 174.78 2kgl s ALA 51 N -2.24 -0.36 -1.13 5.32 0.00 -1.26 -4.52 121.76 117.57 2kgl s ALA 51 Ca 0.32 -0.52 -0.23 0.00 0.00 0.00 0.00 51.96 51.53 2kgl s ALA 51 Cb -0.07 0.57 -0.10 0.00 0.00 0.00 0.00 23.12 23.52 2kgl s ALA 51 CO 0.22 -0.56 1.93 -0.35 0.00 0.00 0.00 175.76 177.01 2kgl n PRO 52 N -0.11 1.57 -0.80 0.00 -0.04 -1.25 -4.65 135.00 129.71 2kgl n PRO 52 Ca -0.14 -2.38 -0.03 0.00 -0.04 0.00 0.00 63.50 60.91 2kgl n PRO 52 Cb 0.63 -3.62 0.25 0.00 -0.04 0.00 0.00 33.50 30.71 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 7.58 2.65 -2.03 0.52 -5.35 -1.26 -4.90 119.36 116.57 2kgl n ILE 53 Ca 0.45 -2.09 -0.29 0.00 -0.27 0.00 0.00 62.75 60.56 2kgl n ILE 53 Cb 0.46 -0.33 0.20 0.00 -1.74 0.00 0.00 39.64 38.23 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.90 -1.76 0.00 0.00 176.55 173.89 2kgl n ASP 54 N -0.66 0.28 -0.03 7.28 5.68 -1.26 -4.99 116.55 122.85 2kgl n ASP 54 Ca 0.34 -1.58 -0.03 0.00 -0.50 0.00 0.00 54.79 53.02 2kgl n ASP 54 Cb 1.16 -0.98 -0.01 0.00 -1.14 0.00 0.00 41.12 40.15 2kgl n ASP 54 CO 0.00 0.00 0.00 0.49 -1.33 0.00 0.00 177.20 176.36 2kgl n PHE 55 N -3.73 0.12 -3.10 2.11 3.72 -1.26 -5.06 117.46 110.26 2kgl n PHE 55 Ca 0.17 0.05 -0.12 0.00 -0.05 0.00 0.00 57.45 57.50 2kgl n PHE 55 Cb 0.59 -0.27 0.01 0.00 -0.94 0.00 0.00 39.48 38.87 2kgl n PHE 55 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 2kgl n SER 56 N -3.16 -7.27 -2.72 4.37 2.88 -1.25 -4.98 113.62 101.49 2kgl n SER 56 Ca -0.04 0.11 -0.05 0.00 -1.33 0.00 0.00 58.87 57.55 2kgl n SER 56 Cb 0.15 -4.49 0.07 0.00 -0.75 0.00 0.00 64.21 59.19 2kgl n SER 56 CO 0.00 0.00 0.00 2.29 -1.23 0.00 0.00 175.04 176.10 2kgl n LYS 57 N -0.96 1.34 0.00 -1.46 2.85 -1.26 -4.99 118.16 113.67 2kgl n LYS 57 Ca 0.01 -2.68 0.00 0.00 -1.05 0.00 0.00 58.31 54.60 2kgl n LYS 57 Cb 0.53 -0.80 0.00 0.00 -0.65 0.00 0.00 35.03 34.10 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 2kgl n LEU 58 N -0.55 0.69 -4.72 -5.58 4.32 -1.26 -5.02 117.00 104.87 2kgl n LEU 58 Ca 0.02 0.14 -0.23 0.00 -0.02 0.00 0.00 56.01 55.92 2kgl n LEU 58 Cb 0.83 -0.27 -0.06 0.00 -1.62 0.00 0.00 43.42 42.30 2kgl n LEU 58 CO 0.07 -0.27 -0.25 -1.81 -1.22 0.00 0.00 177.39 173.91 2kgl s ASP 59 N -2.36 4.94 0.38 -1.43 1.01 -1.26 -5.02 116.67 112.93 2kgl s ASP 59 Ca 0.00 -0.50 0.28 0.00 0.71 0.00 0.00 52.55 53.03 2kgl s ASP 59 Cb 0.00 -1.05 1.17 0.00 1.01 0.00 0.00 42.92 44.05 2kgl s ASP 59 CO 0.00 -0.05 1.83 1.55 0.21 0.00 0.00 175.17 178.71 2kgl h PRO 60 N 1.69 0.00 0.00 8.23 0.13 -2.01 -3.47 132.00 136.57 2kgl h PRO 60 Ca -0.46 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kgl h PRO 60 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2kgl h PRO 60 CO 0.61 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 178.79 2kgl n GLY 61 N -0.03 4.18 0.00 1.56 0.00 -1.26 -5.12 105.19 104.52 2kgl n GLY 61 Ca 0.01 -1.15 0.00 0.00 0.00 0.00 0.00 46.02 44.88 2kgl n GLY 61 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2kgl n LYS 62 N -1.68 0.00 -1.91 1.61 5.02 -1.26 -5.05 118.16 114.89 2kgl n LYS 62 Ca 0.00 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 55.98 2kgl n LYS 62 Cb 0.00 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 34.95 2kgl n LYS 62 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 2kgl n PRO 63 N 0.00 1.57 0.22 1.97 -0.04 -1.26 -4.66 135.00 132.79 2kgl n PRO 63 Ca 0.00 -2.36 0.12 0.00 -0.04 0.00 0.00 63.50 61.22 2kgl n PRO 63 Cb 0.00 -3.60 0.17 0.00 -0.04 0.00 0.00 33.50 30.04 2kgl n PRO 63 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kgl h GLU 64 N 9.43 0.00 0.00 0.54 4.57 -2.02 -3.17 114.58 123.92 2kgl h GLU 64 Ca 0.25 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 2kgl h GLU 64 Cb 0.89 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.48 2kgl h GLU 64 CO 1.34 0.00 0.00 0.66 -1.18 0.00 0.00 179.01 179.83 2kgl h SER 65 N 0.00 0.00 -0.02 1.04 4.64 -1.96 -2.56 113.55 114.68 2kgl h SER 65 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2kgl h SER 65 Cb 0.99 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.08 2kgl h SER 65 CO 0.00 0.00 0.04 -0.29 -0.87 0.00 0.00 176.83 175.71 2kgl h ILE 66 N 0.00 0.24 0.00 0.95 2.10 -1.95 -0.52 117.51 118.34 2kgl h ILE 66 Ca 0.00 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 2kgl h ILE 66 Cb 0.37 0.97 -0.00 0.00 -1.09 0.00 0.00 36.82 37.07 2kgl h ILE 66 CO 0.00 0.00 -0.02 -0.07 -1.08 0.00 0.00 178.15 176.98 2kgl h LEU 67 N 0.00 0.00 -2.21 2.19 3.38 -1.71 -1.94 115.31 115.02 2kgl h LEU 67 Ca 0.01 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.03 2kgl h LEU 67 Cb 0.08 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.82 2kgl h LEU 67 CO -0.00 0.02 0.23 0.11 0.09 0.00 0.00 178.44 178.89 2kgl h LYS 68 N 0.00 0.00 -0.82 1.13 6.56 -1.32 -0.95 116.57 121.17 2kgl h LYS 68 Ca -0.00 0.00 0.23 0.00 -1.06 0.00 0.00 60.65 59.82 2kgl h LYS 68 Cb 0.12 0.00 -0.03 0.00 -0.57 0.00 0.00 32.23 31.75 2kgl h LYS 68 CO 0.00 0.00 0.59 1.98 -2.06 0.00 0.00 179.45 179.96 2kgl h MET 69 N 0.00 0.02 -6.32 3.15 4.05 -1.57 -3.39 114.93 110.88 2kgl h MET 69 Ca 0.09 -0.00 -0.47 0.00 -0.28 0.00 0.00 59.70 59.04 2kgl h MET 69 Cb 0.56 -0.01 -0.03 0.00 -0.80 0.00 0.00 31.60 31.33 2kgl h MET 69 CO -0.00 0.01 -0.82 2.41 0.23 0.00 0.00 176.91 178.74 2kgl n THR 70 N -4.30 -3.02 -2.35 -0.77 -1.04 -0.36 -4.09 114.28 98.34 2kgl n THR 70 Ca 0.17 -0.29 -0.03 0.00 -2.04 0.00 0.00 64.05 61.85 2kgl n THR 70 Cb 0.87 -3.01 -0.03 0.00 -1.82 0.00 0.00 70.33 66.35 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 -4.45 -4.26 0.17 -2.82 4.81 -1.26 -4.64 118.16 105.72 2kgl n LYS 71 Ca -0.15 3.22 -0.10 0.00 -0.87 0.00 0.00 58.31 60.40 2kgl n LYS 71 Cb 0.61 -4.43 -0.05 0.00 0.02 0.00 0.00 35.03 31.18 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 3.65 -0.54 0.00 1.64 3.11 -1.94 -3.48 116.57 119.00 2kgl h LYS 72 Ca -0.31 0.04 0.00 0.00 -2.81 0.00 0.00 60.65 57.57 2kgl h LYS 72 Cb 0.70 0.12 0.00 0.00 -1.00 0.00 0.00 32.23 32.05 2kgl h LYS 72 CO 0.01 -0.36 0.00 0.41 -2.81 0.00 0.00 179.45 176.69 2kgl n GLY 73 N -1.31 4.23 3.25 5.01 0.00 -1.26 -5.02 105.19 110.09 2kgl n GLY 73 Ca -0.07 -0.71 -0.13 0.00 0.00 0.00 0.00 46.02 45.11 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 0.00 0.55 0.79 1.61 0.00 -1.26 -2.11 119.74 119.32 2kgl s LYS 74 Ca 0.00 0.16 -0.13 0.00 0.00 0.00 0.00 55.97 56.00 2kgl s LYS 74 Cb 0.00 0.26 0.19 0.00 0.00 0.00 0.00 37.83 38.27 2kgl s LYS 74 CO 0.00 -0.12 0.92 0.25 0.00 0.00 0.00 175.35 176.40 2kgl n THR 75 N 2.06 0.00 -4.45 3.79 -2.24 -1.23 -4.79 114.28 107.42 2kgl n THR 75 Ca -0.17 -0.59 -0.20 0.00 -2.27 0.00 0.00 64.05 60.82 2kgl n THR 75 Cb 0.57 -1.47 -0.14 0.00 -2.10 0.00 0.00 70.33 67.19 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -0.57 0.00 0.00 175.07 173.02 2kgl s LEU 76 N 0.00 2.07 -0.30 3.22 2.34 -1.26 -4.69 118.68 120.06 2kgl s LEU 76 Ca 0.54 -0.29 -0.10 0.00 0.06 0.00 0.00 54.13 54.35 2kgl s LEU 76 Cb -0.03 -0.58 0.13 0.00 -0.56 0.00 0.00 46.19 45.16 2kgl s LEU 76 CO 0.39 0.10 0.65 0.00 -1.06 0.00 0.00 176.35 176.44 2kgl s MET 77 N -0.56 0.58 -0.13 1.48 0.23 -1.19 -3.16 119.30 116.54 2kgl s MET 77 Ca 0.03 1.42 -0.11 0.00 -1.03 0.00 0.00 55.69 56.01 2kgl s MET 77 Cb -0.06 0.85 0.04 0.00 -1.53 0.00 0.00 34.83 34.14 2kgl s MET 77 CO 0.00 -0.22 0.34 -1.64 -2.03 0.00 0.00 175.02 171.47 2kgl s MET 78 N 2.89 0.38 -0.07 3.16 -1.94 -1.15 -0.58 119.30 121.99 2kgl s MET 78 Ca -0.04 0.52 -0.03 0.00 -1.71 0.00 0.00 55.69 54.43 2kgl s MET 78 Cb -0.12 0.13 0.04 0.00 2.01 0.00 0.00 34.83 36.89 2kgl s MET 78 CO -0.19 -0.07 0.09 -0.06 -0.01 0.00 0.00 175.02 174.77 2kgl s PHE 79 N 0.44 0.03 -0.21 -0.03 0.08 -0.24 -3.16 117.98 114.90 2kgl s PHE 79 Ca -0.02 0.24 -0.14 0.00 0.12 0.00 0.00 56.93 57.13 2kgl s PHE 79 Cb -0.04 -0.47 0.06 0.00 -0.57 0.00 0.00 43.02 42.00 2kgl s PHE 79 CO -0.02 -0.26 0.52 0.54 -0.10 0.00 0.00 175.22 175.90 2kgl s VAL 80 N 2.19 -0.01 -0.54 -0.44 0.11 -1.17 -0.06 120.40 120.49 2kgl s VAL 80 Ca 0.04 0.04 0.04 0.00 -2.93 0.00 0.00 61.98 59.17 2kgl s VAL 80 Cb -0.13 -0.76 0.16 0.00 -1.53 0.00 0.00 36.38 34.13 2kgl s VAL 80 CO -0.05 0.02 0.37 0.28 -3.33 0.00 0.00 175.10 172.39 2kgl s THR 81 N 1.09 1.66 -0.09 5.04 -1.32 0.89 -1.85 115.64 121.06 2kgl s THR 81 Ca -0.07 -3.27 -0.30 0.00 -1.21 0.00 0.00 61.69 56.84 2kgl s THR 81 Cb -0.06 -2.12 0.12 0.00 -1.51 0.00 0.00 72.50 68.93 2kgl s THR 81 CO -0.10 -1.05 0.96 0.54 -2.21 0.00 0.00 174.62 172.76 2kgl s VAL 82 N -0.46 0.00 -0.07 5.08 0.11 -0.59 -2.17 120.40 122.29 2kgl s VAL 82 Ca 0.25 0.00 -0.31 0.00 -2.93 0.00 0.00 61.98 58.99 2kgl s VAL 82 Cb -0.08 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.69 2kgl s VAL 82 CO -0.13 0.00 2.02 -1.54 -3.33 0.00 0.00 175.10 172.12 2kgl n SER 83 N 0.22 3.68 -1.46 3.54 3.41 -1.26 -3.18 113.62 118.57 2kgl n SER 83 Ca -0.09 0.74 0.19 0.00 -0.26 0.00 0.00 58.87 59.45 2kgl n SER 83 Cb 0.60 -1.48 -0.07 0.00 -0.26 0.00 0.00 64.21 62.99 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 4.90 -2.76 0.00 5.00 0.00 -1.26 -4.63 105.19 106.44 2kgl n GLY 84 Ca 0.24 -1.09 0.00 0.00 0.00 0.00 0.00 46.02 45.17 2kgl n GLY 84 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 2kgl n ASN 85 N -4.34 0.00 -4.37 1.61 4.05 -1.26 -4.82 115.26 106.12 2kgl n ASN 85 Ca -0.05 0.00 -0.31 0.00 0.45 0.00 0.00 54.58 54.67 2kgl n ASN 85 Cb 0.68 0.00 -0.06 0.00 1.23 0.00 0.00 39.78 41.63 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 -0.04 1.55 -0.59 1.20 -0.04 -1.26 -4.08 135.00 131.74 2kgl n PRO 86 Ca 0.00 -2.32 -0.01 0.00 -0.04 0.00 0.00 63.50 61.13 2kgl n PRO 86 Cb 0.00 -3.55 -0.01 0.00 -0.04 0.00 0.00 33.50 29.90 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 7.44 0.00 -0.19 0.52 -2.24 -1.26 -4.56 114.28 113.99 2kgl n THR 87 Ca 0.46 -0.03 -0.02 0.00 -2.27 0.00 0.00 64.05 62.19 2kgl n THR 87 Cb 0.45 0.16 0.08 0.00 -2.10 0.00 0.00 70.33 68.93 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 0.03 0.43 -0.11 -0.78 -0.00 -1.93 0.10 114.58 112.32 2kgl h GLU 88 Ca -0.08 -0.03 -0.09 0.00 -0.00 0.00 0.00 59.36 59.17 2kgl h GLU 88 Cb 1.13 -0.10 -0.01 0.00 -0.00 0.00 0.00 28.75 29.77 2kgl h GLU 88 CO -0.04 0.28 -0.32 -0.22 -0.00 0.00 0.00 179.01 178.72 2kgl h LYS 89 N 0.44 0.21 -0.24 1.06 3.64 -1.95 -3.00 116.57 116.72 2kgl h LYS 89 Ca 0.27 -0.08 -0.12 0.00 -1.27 0.00 0.00 60.65 59.45 2kgl h LYS 89 Cb 0.27 -0.01 -0.00 0.00 -0.41 0.00 0.00 32.23 32.08 2kgl h LYS 89 CO -0.24 0.52 -0.30 0.93 -2.27 0.00 0.00 179.45 178.08 2kgl h GLU 90 N 0.19 0.63 -0.57 1.90 4.39 -1.57 -3.13 114.58 116.43 2kgl h GLU 90 Ca 0.02 -0.36 0.11 0.00 0.34 0.00 0.00 59.36 59.48 2kgl h GLU 90 Cb 0.66 0.02 -0.09 0.00 -0.10 0.00 0.00 28.75 29.25 2kgl h GLU 90 CO 0.05 0.96 0.04 1.79 -1.16 0.00 0.00 179.01 180.69 2kgl h THR 91 N 0.34 0.58 0.00 1.13 1.35 -0.72 0.28 112.91 115.87 2kgl h THR 91 Ca 0.03 -0.06 -0.01 0.00 -0.55 0.00 0.00 66.41 65.82 2kgl h THR 91 Cb 0.88 0.41 -0.00 0.00 -1.73 0.00 0.00 68.15 67.70 2kgl h THR 91 CO 0.07 0.03 -0.07 -0.08 -0.25 0.00 0.00 175.52 175.22 2kgl h GLU 92 N 0.16 0.00 0.00 4.72 4.22 -1.55 -1.14 114.58 120.99 2kgl h GLU 92 Ca 0.29 0.00 -0.09 0.00 0.08 0.00 0.00 59.36 59.64 2kgl h GLU 92 Cb 0.45 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 2kgl h GLU 92 CO -0.45 0.07 -0.48 1.49 -2.18 0.00 0.00 179.01 177.46 2kgl h GLU 93 N 0.00 0.00 -0.88 1.92 4.81 -0.50 -3.27 114.58 116.66 2kgl h GLU 93 Ca -0.00 0.00 0.26 0.00 -0.13 0.00 0.00 59.36 59.48 2kgl h GLU 93 Cb 0.13 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 2kgl h GLU 93 CO 0.01 0.43 0.64 0.82 -0.73 0.00 0.00 179.01 180.17 2kgl h ILE 94 N 0.00 0.56 -0.38 2.32 2.04 0.34 0.27 117.51 122.66 2kgl h ILE 94 Ca -0.01 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.74 2kgl h ILE 94 Cb 1.34 0.55 -0.02 0.00 -0.74 0.00 0.00 36.82 37.96 2kgl h ILE 94 CO 0.06 0.00 -0.20 0.00 0.00 0.00 0.00 178.15 178.01 2kgl h THR 95 N 0.01 1.27 -0.11 -0.27 1.03 -1.68 0.29 112.91 113.44 2kgl h THR 95 Ca 0.42 -1.29 -0.06 0.00 -0.01 0.00 0.00 66.41 65.47 2kgl h THR 95 Cb 1.68 1.19 -0.00 0.00 -1.07 0.00 0.00 68.15 69.94 2kgl h THR 95 CO -0.01 0.43 -0.17 0.77 -0.01 0.00 0.00 175.52 176.53 2kgl h SER 96 N 0.65 0.35 -0.15 0.00 4.64 -0.69 -3.17 113.55 115.18 2kgl h SER 96 Ca 0.10 -0.53 -0.16 0.00 -0.47 0.00 0.00 61.79 60.72 2kgl h SER 96 Cb 0.69 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.68 2kgl h SER 96 CO 0.05 0.81 -0.48 -0.07 -0.87 0.00 0.00 176.83 176.27 2kgl h LEU 97 N -0.10 0.78 -1.43 5.97 3.38 -1.39 -3.05 115.31 119.47 2kgl h LEU 97 Ca 0.01 -0.39 0.21 0.00 0.09 0.00 0.00 57.88 57.80 2kgl h LEU 97 Cb 0.74 -0.22 -0.08 0.00 0.09 0.00 0.00 40.66 41.19 2kgl h LEU 97 CO 0.04 1.14 0.62 -0.25 0.09 0.00 0.00 178.44 180.07 2kgl h TRP 98 N 0.57 0.62 -0.96 1.13 7.01 -0.46 0.93 115.95 124.79 2kgl h TRP 98 Ca 0.03 0.02 0.18 0.00 2.11 0.00 0.00 58.89 61.23 2kgl h TRP 98 Cb 1.04 -0.19 -0.09 0.00 -2.10 0.00 0.00 29.16 27.83 2kgl h TRP 98 CO 0.05 0.14 0.61 1.96 -2.79 0.00 0.00 178.44 178.42 2kgl h GLN 99 N 0.45 0.65 0.30 2.65 1.08 -1.50 0.26 115.11 118.99 2kgl h GLN 99 Ca 0.50 -0.04 -0.01 0.00 -1.45 0.00 0.00 58.65 57.65 2kgl h GLN 99 Cb 1.20 -0.15 0.00 0.00 -0.05 0.00 0.00 27.48 28.48 2kgl h GLN 99 CO -0.22 0.43 -0.14 0.78 -0.95 0.00 0.00 178.83 178.73 2kgl h GLY 100 N 0.67 -0.42 1.07 3.46 0.00 -0.98 -3.24 103.07 103.62 2kgl h GLY 100 Ca 0.52 0.16 0.06 0.00 0.00 0.00 0.00 47.33 48.06 2kgl h GLY 100 CO -0.28 -0.15 0.48 1.76 0.00 0.00 0.00 176.54 178.35 2kgl h SER 101 N -0.93 0.70 -0.94 0.19 0.02 -1.40 -1.44 113.55 109.76 2kgl h SER 101 Ca -0.04 0.00 0.20 0.00 -0.84 0.00 0.00 61.79 61.11 2kgl h SER 101 Cb 0.51 -0.15 -0.08 0.00 0.14 0.00 0.00 62.40 62.82 2kgl h SER 101 CO 0.07 0.46 0.61 0.25 -1.14 0.00 0.00 176.83 177.08 2kgl h LEU 102 N 0.81 0.52 -1.29 5.07 6.46 -0.54 0.11 115.31 126.45 2kgl h LEU 102 Ca 0.31 0.06 0.15 0.00 -0.12 0.00 0.00 57.88 58.27 2kgl h LEU 102 Cb 0.20 -0.04 -0.07 0.00 -0.73 0.00 0.00 40.66 40.02 2kgl h LEU 102 CO -0.10 0.20 0.58 0.15 -0.62 0.00 0.00 178.44 178.65 2kgl h PHE 103 N 0.52 0.81 -0.08 1.25 3.04 -1.29 0.23 116.94 121.43 2kgl h PHE 103 Ca 0.50 0.02 0.02 0.00 3.98 0.00 0.00 57.97 62.50 2kgl h PHE 103 Cb 1.09 -0.26 -0.00 0.00 2.56 0.00 0.00 35.95 39.34 2kgl h PHE 103 CO -0.00 0.29 0.13 -0.91 -2.02 0.00 0.00 178.31 175.80 2kgl h ASN 104 N 0.68 0.00 -0.46 0.41 2.35 -0.90 -3.45 115.58 114.22 2kgl h ASN 104 Ca 0.45 0.00 -0.20 0.00 -0.55 0.00 0.00 56.30 56.01 2kgl h ASN 104 Cb 0.74 0.00 -0.08 0.00 0.05 0.00 0.00 38.32 39.04 2kgl h ASN 104 CO -0.21 0.00 -0.18 0.00 -1.65 0.00 0.00 177.43 175.39 2kgl n ALA 105 N -2.21 -0.15 -2.18 -0.83 0.00 0.82 -3.92 120.51 112.06 2kgl n ALA 105 Ca -0.01 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 2kgl n ALA 105 Cb 0.22 -1.52 -0.02 0.00 0.00 0.00 0.00 19.45 18.14 2kgl n ALA 105 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 2kgl n ASN 106 N -0.75 -0.01 -3.47 0.00 0.23 -1.26 -4.92 115.26 105.08 2kgl n ASN 106 Ca -0.10 -1.86 -0.26 0.00 -0.53 0.00 0.00 54.58 51.84 2kgl n ASN 106 Cb 0.49 -0.03 0.24 0.00 -2.08 0.00 0.00 39.78 38.40 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2kgl n TYR 107 N 0.18 -3.07 -4.50 -2.53 0.18 -1.25 -2.73 117.16 103.44 2kgl n TYR 107 Ca -0.08 -0.47 -0.24 0.00 1.88 0.00 0.00 57.90 59.00 2kgl n TYR 107 Cb 0.83 -1.39 -0.17 0.00 -0.38 0.00 0.00 39.34 38.24 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 -2.61 1.60 -0.19 9.48 2.15 0.65 -4.50 116.67 123.24 2kgl s ASP 108 Ca 0.56 -0.26 -0.10 0.00 0.43 0.00 0.00 52.55 53.17 2kgl s ASP 108 Cb -0.11 -0.75 0.07 0.00 -0.30 0.00 0.00 42.92 41.83 2kgl s ASP 108 CO 0.49 0.02 0.46 0.68 -0.17 0.00 0.00 175.17 176.64 2kgl s VAL 109 N 0.71 -0.11 -0.16 1.11 -7.23 -1.26 -1.48 120.40 111.99 2kgl s VAL 109 Ca -0.14 0.09 -0.08 0.00 -1.81 0.00 0.00 61.98 60.04 2kgl s VAL 109 Cb -0.16 -0.69 0.06 0.00 0.56 0.00 0.00 36.38 36.16 2kgl s VAL 109 CO 0.03 0.04 0.36 -1.58 -0.31 0.00 0.00 175.10 173.64 2kgl s GLN 110 N 1.60 0.32 0.10 4.82 -0.44 -0.05 -4.14 119.66 121.85 2kgl s GLN 110 Ca -0.09 0.77 0.10 0.00 -2.50 0.00 0.00 55.36 53.64 2kgl s GLN 110 Cb -0.08 0.01 -0.04 0.00 -1.64 0.00 0.00 33.01 31.26 2kgl s GLN 110 CO -0.14 -0.19 -0.26 -0.98 0.50 0.00 0.00 175.29 174.22 2kgl s ARG 111 N 1.66 1.60 -0.07 1.67 3.03 -1.26 -1.72 118.95 123.86 2kgl s ARG 111 Ca -0.07 -1.24 -0.14 0.00 2.03 0.00 0.00 55.73 56.31 2kgl s ARG 111 Cb -0.10 -1.96 0.03 0.00 -1.03 0.00 0.00 34.95 31.90 2kgl s ARG 111 CO -0.11 0.48 0.34 0.12 -1.13 0.00 0.00 175.30 174.99 2kgl s PHE 112 N -0.97 -0.29 -0.07 5.89 5.36 -0.90 -4.29 117.98 122.72 2kgl s PHE 112 Ca 0.13 0.61 -0.03 0.00 -0.96 0.00 0.00 56.93 56.68 2kgl s PHE 112 Cb -0.10 0.12 0.04 0.00 -0.34 0.00 0.00 43.02 42.74 2kgl s PHE 112 CO 0.05 -0.29 0.13 0.96 -1.46 0.00 0.00 175.22 174.60 2kgl s ILE 113 N -0.59 -0.21 -0.08 3.12 -4.36 -1.26 -2.83 121.20 114.99 2kgl s ILE 113 Ca -0.07 0.37 -0.01 0.00 -0.26 0.00 0.00 60.65 60.68 2kgl s ILE 113 Cb -0.04 -0.25 0.03 0.00 1.25 0.00 0.00 42.46 43.45 2kgl s ILE 113 CO 0.02 0.15 -0.02 0.68 0.24 0.00 0.00 174.94 176.01 2kgl s VAL 114 N 2.25 0.57 0.00 8.37 -7.23 -1.13 -5.03 120.40 118.20 2kgl s VAL 114 Ca 0.04 -0.01 0.00 0.00 -1.81 0.00 0.00 61.98 60.20 2kgl s VAL 114 Cb -0.12 -0.68 0.00 0.00 0.56 0.00 0.00 36.38 36.14 2kgl s VAL 114 CO -0.05 0.29 0.00 0.61 -0.31 0.00 0.00 175.10 175.64 2kgl n GLY 115 N 5.01 0.55 0.00 2.32 0.00 -1.26 -0.03 105.19 111.78 2kgl n GLY 115 Ca -0.10 0.67 0.00 0.00 0.00 0.00 0.00 46.02 46.59 2kgl n GLY 115 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2kgl n SER 116 N 7.15 0.99 -4.92 1.61 3.41 -1.26 -5.04 113.62 115.55 2kgl n SER 116 Ca 0.00 -1.00 -0.26 0.00 -0.26 0.00 0.00 58.87 57.35 2kgl n SER 116 Cb 0.00 0.00 -0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2kgl n SER 116 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 2kgl s ASP 117 N -0.00 6.22 -0.16 4.04 1.01 0.96 -4.43 116.67 124.31 2kgl s ASP 117 Ca 0.00 0.74 -0.07 0.00 0.71 0.00 0.00 52.55 53.93 2kgl s ASP 117 Cb 0.00 -2.12 0.06 0.00 1.01 0.00 0.00 42.92 41.87 2kgl s ASP 117 CO 0.00 -0.52 0.36 -0.60 0.21 0.00 0.00 175.17 174.62 2kgl s ARG 118 N -4.61 0.31 -0.04 8.23 3.52 -1.19 -2.84 118.95 122.32 2kgl s ARG 118 Ca 0.45 0.78 0.03 0.00 -0.13 0.00 0.00 55.73 56.86 2kgl s ARG 118 Cb -0.10 0.03 0.01 0.00 -1.56 0.00 0.00 34.95 33.32 2kgl s ARG 118 CO 0.42 -0.19 -0.11 0.00 -0.81 0.00 0.00 175.30 174.60 2kgl s ALA 119 N 1.75 1.11 -0.03 6.12 0.00 -1.13 -1.55 121.76 128.03 2kgl s ALA 119 Ca -0.07 -0.42 0.01 0.00 0.00 0.00 0.00 51.96 51.48 2kgl s ALA 119 Cb -0.10 -0.43 0.02 0.00 0.00 0.00 0.00 23.12 22.61 2kgl s ALA 119 CO -0.11 0.16 -0.03 -1.50 0.00 0.00 0.00 175.76 174.28 2kgl s ILE 120 N 0.32 0.34 -0.09 0.00 1.10 -0.77 -2.11 121.20 120.00 2kgl s ILE 120 Ca -0.07 -0.05 -0.01 0.00 -0.51 0.00 0.00 60.65 60.02 2kgl s ILE 120 Cb -0.12 -0.38 0.03 0.00 0.15 0.00 0.00 42.46 42.14 2kgl s ILE 120 CO 0.02 0.16 -0.02 0.12 -2.11 0.00 0.00 174.94 173.11 2kgl s PHE 121 N 0.75 0.97 -0.11 3.50 2.19 -0.70 -3.05 117.98 121.52 2kgl s PHE 121 Ca -0.09 -0.39 -0.10 0.00 0.33 0.00 0.00 56.93 56.69 2kgl s PHE 121 Cb -0.12 -0.96 0.03 0.00 -1.31 0.00 0.00 43.02 40.66 2kgl s PHE 121 CO -0.01 -0.40 0.30 0.00 1.83 0.00 0.00 175.22 176.94 2kgl s MET 122 N 1.88 0.34 -0.05 10.12 0.23 -1.19 -0.87 119.30 129.76 2kgl s MET 122 Ca 0.05 0.43 -0.15 0.00 -1.03 0.00 0.00 55.69 54.99 2kgl s MET 122 Cb -0.12 0.15 0.03 0.00 -1.53 0.00 0.00 34.83 33.35 2kgl s MET 122 CO -0.06 -0.05 0.35 -1.17 -2.03 0.00 0.00 175.02 172.05 2kgl s LEU 123 N 0.26 0.70 0.52 0.18 0.20 -0.55 -2.96 118.68 117.03 2kgl s LEU 123 Ca -0.01 0.28 0.29 0.00 0.69 0.00 0.00 54.13 55.39 2kgl s LEU 123 Cb -0.03 1.34 1.42 0.00 -0.43 0.00 0.00 46.19 48.50 2kgl s LEU 123 CO -0.01 -0.38 1.89 0.08 -0.29 0.00 0.00 176.35 177.64 2kgl h ARG 124 N 4.22 0.06 0.00 1.98 0.11 -1.84 0.19 114.38 119.10 2kgl h ARG 124 Ca -0.29 -0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.79 2kgl h ARG 124 Cb 1.18 -0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.24 2kgl h ARG 124 CO 0.37 0.04 0.00 -0.25 0.10 0.00 0.00 179.97 180.23 2kgl n ASP 125 N -4.31 -0.55 0.00 0.08 8.00 -1.26 -3.96 116.55 114.55 2kgl n ASP 125 Ca 0.19 -0.68 0.00 0.00 0.71 0.00 0.00 54.79 55.01 2kgl n ASP 125 Cb 0.92 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 42.02 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgl n GLY 126 N 3.56 1.29 0.44 0.44 0.00 -1.10 -1.15 105.19 108.67 2kgl n GLY 126 Ca 0.00 -0.12 0.26 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.00 1.61 0.87 -1.91 -0.49 113.55 113.63 2kgl h SER 127 Ca 0.00 0.00 -0.00 0.00 -1.23 0.00 0.00 61.79 60.56 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 0.00 0.00 0.22 -0.53 0.00 0.00 176.83 176.52 2kgl h TYR 128 N 0.00 0.00 0.00 2.24 3.20 -1.96 -2.64 116.97 117.80 2kgl h TYR 128 Ca 0.37 -0.00 -0.10 0.00 3.14 0.00 0.00 58.73 62.13 2kgl h TYR 128 Cb 1.48 -0.00 -0.01 0.00 1.54 0.00 0.00 36.73 39.74 2kgl h TYR 128 CO 0.00 0.11 -0.50 0.00 -1.64 0.00 0.00 178.16 176.13 2kgl h ALA 129 N 0.90 1.17 -0.47 1.82 0.00 -1.44 -3.03 119.26 118.21 2kgl h ALA 129 Ca 0.00 -0.45 0.03 0.00 0.00 0.00 0.00 54.91 54.49 2kgl h ALA 129 Cb 0.10 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.78 2kgl h ALA 129 CO -0.00 0.62 0.25 2.35 0.00 0.00 0.00 179.25 182.47 2kgl h TRP 130 N 0.00 0.47 0.61 0.00 -0.00 -0.98 0.24 115.95 116.29 2kgl h TRP 130 Ca -0.00 0.02 -0.03 0.00 -0.00 0.00 0.00 58.89 58.87 2kgl h TRP 130 Cb 0.88 -0.14 0.01 0.00 -0.00 0.00 0.00 29.16 29.91 2kgl h TRP 130 CO 0.00 0.25 -0.29 1.49 -0.00 0.00 0.00 178.44 179.89 2kgl h GLU 131 N 0.50 -0.79 -0.94 2.65 4.81 -1.41 -3.11 114.58 116.29 2kgl h GLU 131 Ca 0.20 0.05 0.21 0.00 -0.13 0.00 0.00 59.36 59.68 2kgl h GLU 131 Cb 0.07 0.18 -0.08 0.00 0.63 0.00 0.00 28.75 29.55 2kgl h GLU 131 CO -0.12 -0.53 0.61 0.82 -0.73 0.00 0.00 179.01 179.07 2kgl h ILE 132 N -1.08 0.67 -0.09 2.32 1.08 -1.51 -1.71 117.51 117.19 2kgl h ILE 132 Ca -0.08 -0.16 0.04 0.00 -0.39 0.00 0.00 64.86 64.26 2kgl h ILE 132 Cb 0.63 0.15 -0.06 0.00 -3.07 0.00 0.00 36.82 34.47 2kgl h ILE 132 CO 0.14 0.09 -0.32 0.50 -0.69 0.00 0.00 178.15 177.86 2kgl h LYS 133 N 0.48 -0.41 -0.93 2.37 3.11 -0.47 0.27 116.57 121.00 2kgl h LYS 133 Ca 0.50 0.03 0.16 0.00 -2.81 0.00 0.00 60.65 58.53 2kgl h LYS 133 Cb 1.14 0.09 -0.10 0.00 -1.00 0.00 0.00 32.23 32.37 2kgl h LYS 133 CO -0.22 -0.27 0.52 0.22 -2.81 0.00 0.00 179.45 176.89 2kgl h ASP 134 N -0.42 0.67 0.15 4.20 3.58 -1.25 0.14 116.42 123.49 2kgl h ASP 134 Ca 0.08 0.09 -0.13 0.00 0.42 0.00 0.00 57.03 57.49 2kgl h ASP 134 Cb 0.55 -0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.57 2kgl h ASP 134 CO -0.33 0.27 -0.47 0.15 -2.88 0.00 0.00 179.24 175.98 2kgl h PHE 135 N 0.72 0.45 0.42 0.28 3.57 -1.15 -2.50 116.94 118.73 2kgl h PHE 135 Ca 0.51 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.85 2kgl h PHE 135 Cb 0.73 -0.09 0.00 0.00 2.79 0.00 0.00 35.95 39.38 2kgl h PHE 135 CO -0.05 0.78 -0.20 1.25 -2.23 0.00 0.00 178.31 177.86 2kgl h LEU 136 N 0.30 -0.47 -2.00 0.59 7.12 0.19 -3.19 115.31 117.85 2kgl h LEU 136 Ca 0.02 0.02 0.24 0.00 0.13 0.00 0.00 57.88 58.29 2kgl h LEU 136 Cb 0.94 0.12 -0.03 0.00 -0.53 0.00 0.00 40.66 41.16 2kgl h LEU 136 CO 0.08 -0.14 0.61 -0.37 -0.13 0.00 0.00 178.44 178.49 2kgl h VAL 137 N -0.96 0.57 -0.76 1.05 -1.51 -0.95 0.17 116.25 113.86 2kgl h VAL 137 Ca -0.06 0.00 0.02 0.00 -1.23 0.00 0.00 66.70 65.43 2kgl h VAL 137 Cb 0.43 0.58 -0.04 0.00 -2.13 0.00 0.00 31.29 30.12 2kgl h VAL 137 CO 0.09 0.00 0.50 0.28 -1.23 0.00 0.00 177.57 177.22 2kgl h SER 138 N 0.00 0.83 -0.26 4.19 0.02 -1.43 -2.64 113.55 114.26 2kgl h SER 138 Ca 0.40 -0.02 0.06 0.00 -0.84 0.00 0.00 61.79 61.40 2kgl h SER 138 Cb 1.62 -0.20 -0.06 0.00 0.14 0.00 0.00 62.40 63.89 2kgl h SER 138 CO -0.00 0.59 -0.14 -0.61 -1.14 0.00 0.00 176.83 175.52 2kgl h GLN 139 N 0.98 -0.11 -2.18 3.45 -0.00 -0.68 -3.45 115.11 113.12 2kgl h GLN 139 Ca 0.29 0.01 -0.35 0.00 -0.00 0.00 0.00 58.65 58.60 2kgl h GLN 139 Cb -0.03 0.03 -0.04 0.00 0.00 0.00 0.00 27.48 27.44 2kgl h GLN 139 CO -0.07 -0.07 -0.42 -3.47 0.00 0.00 0.00 178.83 174.79 2kgl n ASP 140 N -5.31 -5.09 -2.66 -0.69 2.03 -1.00 -4.82 116.55 99.02 2kgl n ASP 140 Ca -0.00 0.06 -0.03 0.00 0.52 0.00 0.00 54.79 55.33 2kgl n ASP 140 Cb 0.23 -4.16 0.06 0.00 -0.72 0.00 0.00 41.12 36.52 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 -2.63 0.19 -3.86 -0.67 3.00 -0.92 -4.84 116.66 106.93 2kgl n ARG 141 Ca -0.20 -0.74 -0.12 0.00 -0.00 0.00 0.00 57.85 56.79 2kgl n ARG 141 Cb 0.64 -0.10 -0.11 0.00 0.00 0.00 0.00 32.46 32.89 2kgl n ARG 141 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2kgl s ALA 143 N -0.68 0.85 -0.13 0.00 0.00 -1.26 -0.08 121.76 120.46 2kgl s ALA 143 Ca -0.08 -0.24 -0.13 0.00 0.00 0.00 0.00 51.96 51.51 2kgl s ALA 143 Cb -0.05 -0.80 0.04 0.00 0.00 0.00 0.00 23.12 22.31 2kgl s ALA 143 CO 0.01 -0.47 0.37 -1.21 0.00 0.00 0.00 175.76 174.46 2kgl s GLU 144 N 1.91 0.46 -0.16 0.00 2.02 0.92 -4.06 118.70 119.78 2kgl s GLU 144 Ca 0.05 0.46 -0.08 0.00 0.02 0.00 0.00 54.97 55.42 2kgl s GLU 144 Cb -0.12 0.22 0.07 0.00 0.10 0.00 0.00 34.13 34.39 2kgl s GLU 144 CO -0.06 -0.06 0.38 0.08 0.02 0.00 0.00 175.26 175.61 2kgl s VAL 145 N 0.06 -0.22 -0.18 2.63 1.01 -1.26 -1.08 120.40 121.37 2kgl s VAL 145 Ca -0.01 0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.12 2kgl s VAL 145 Cb -0.03 -0.58 0.02 0.00 0.00 0.00 0.00 36.38 35.80 2kgl s VAL 145 CO 0.01 0.06 -0.19 0.42 0.00 0.00 0.00 175.10 175.39 2kgl s THR 146 N 1.79 2.03 -0.16 3.92 -4.23 0.26 -4.69 115.64 114.56 2kgl s THR 146 Ca -0.06 -0.95 -0.06 0.00 -1.18 0.00 0.00 61.69 59.44 2kgl s THR 146 Cb -0.10 -1.85 0.08 0.00 1.34 0.00 0.00 72.50 71.96 2kgl s THR 146 CO -0.12 0.51 0.33 -0.22 -0.54 0.00 0.00 174.62 174.58 2kgl s LEU 147 N 1.29 -0.44 0.56 4.79 1.98 -1.26 -3.19 118.68 122.41 2kgl s LEU 147 Ca 0.04 0.74 0.07 0.00 -2.89 0.00 0.00 54.13 52.10 2kgl s LEU 147 Cb -0.13 0.96 0.06 0.00 0.66 0.00 0.00 46.19 47.74 2kgl s LEU 147 CO -0.13 -0.24 0.56 -1.83 -1.89 0.00 0.00 176.35 172.83 2kgl s GLU 148 N 2.50 2.26 0.00 1.98 -1.05 -1.26 -4.98 118.70 118.15 2kgl s GLU 148 Ca 0.00 -1.89 0.00 0.00 -0.15 0.00 0.00 54.97 52.93 2kgl s GLU 148 Cb -0.12 -2.30 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 2kgl s GLU 148 CO -0.10 -0.74 0.00 0.41 0.95 0.00 0.00 175.26 175.78 2kgl n GLY 149 N -1.97 0.00 3.20 -3.83 0.00 -1.26 -4.96 105.19 96.37 2kgl n GLY 149 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.96 2kgl n GLY 149 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kgl s GLN 150 N -1.89 0.32 0.00 1.61 -0.21 -1.26 -4.83 119.66 113.40 2kgl s GLN 150 Ca 0.00 0.78 0.00 0.00 0.02 0.00 0.00 55.36 56.16 2kgl s GLN 150 Cb 0.00 0.02 0.00 0.00 1.00 0.00 0.00 33.01 34.03 2kgl s GLN 150 CO 0.00 -0.19 0.00 -0.12 -2.12 0.00 0.00 175.29 172.86 2kgl n MET 151 N 4.59 0.00 0.00 2.91 1.56 -1.26 -5.04 117.12 119.89 2kgl n MET 151 Ca -0.19 0.00 0.00 0.00 -0.27 0.00 0.00 57.70 57.24 2kgl n MET 151 Cb 0.53 0.00 0.00 0.00 2.15 0.00 0.00 33.22 35.90 2kgl n MET 151 CO 0.00 0.00 0.00 0.98 -0.73 0.00 0.00 175.97 176.22 2kgl n TYR 152 N -0.97 0.00 -1.11 1.12 9.36 -0.90 -5.02 117.16 119.63 2kgl n TYR 152 Ca 0.00 0.00 -0.29 0.00 3.32 0.00 0.00 57.90 60.93 2kgl n TYR 152 Cb 0.00 0.00 0.22 0.00 -0.63 0.00 0.00 39.34 38.93 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 0.22 0.00 0.00 176.86 175.83 2kgl s PRO 153 N -1.09 -0.60 -0.01 2.98 0.04 -1.05 -3.53 135.00 131.74 2kgl s PRO 153 Ca 0.00 0.15 0.17 0.00 0.04 0.00 0.00 61.00 61.36 2kgl s PRO 153 Cb 0.00 -1.65 -0.22 0.00 0.04 0.00 0.00 34.50 32.67 2kgl s PRO 153 CO 0.00 -3.35 0.56 0.41 0.04 0.00 0.00 177.00 174.66 2kgl n GLY 154 N -1.00 -0.66 0.41 0.56 0.00 -1.26 -3.97 105.19 99.27 2kgl n GLY 154 Ca 0.10 -0.44 0.20 0.00 0.00 0.00 0.00 46.02 45.88 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 0.36 -5.15 1.61 2.10 -1.89 -3.40 116.57 110.19 2kgl h LYS 155 Ca 0.00 -0.02 0.00 0.00 -2.00 0.00 0.00 60.65 58.63 2kgl h LYS 155 Cb 0.56 -0.08 -0.05 0.00 -0.90 0.00 0.00 32.23 31.76 2kgl h LYS 155 CO 0.00 0.24 -1.20 0.41 -2.00 0.00 0.00 179.45 176.90 2kgl n GLY 156 N -1.53 -4.46 0.00 0.07 0.00 -1.26 -4.66 105.19 93.35 2kgl n GLY 156 Ca 0.20 0.92 0.00 0.00 0.00 0.00 0.00 46.02 47.14 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 1.11 0.92 1.10 -0.02 0.00 -1.26 -5.05 105.19 101.99 2kgl n GLY 157 Ca -0.15 0.05 0.00 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.28 0.00 -0.02 0.00 -1.26 -5.07 105.19 98.56 2kgl n GLY 158 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2kgl n GLY 158 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 159 N -0.41 0.00 -2.47 1.61 2.88 -1.26 -5.07 113.62 108.90 2kgl n SER 159 Ca 0.00 0.23 -0.03 0.00 -1.33 0.00 0.00 58.87 57.75 2kgl n SER 159 Cb 0.05 -0.28 -0.02 0.00 -0.75 0.00 0.00 64.21 63.21 2kgl n SER 159 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 160 N -1.44 -3.47 0.00 -1.46 0.00 -1.26 -4.98 118.16 105.55 2kgl n LYS 160 Ca 0.00 2.75 0.00 0.00 0.00 0.00 0.00 58.31 61.06 2kgl n LYS 160 Cb 0.00 -4.57 0.00 0.00 0.00 0.00 0.00 35.03 30.46 2kgl n LYS 160 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.40 177.79 2kgl n GLU 161 N 1.05 0.00 -2.62 1.64 -0.58 -1.26 -4.98 120.64 113.89 2kgl n GLU 161 Ca -0.20 0.00 -0.06 0.00 -0.42 0.00 0.00 57.16 56.48 2kgl n GLU 161 Cb 0.30 -0.65 0.01 0.00 -0.57 0.00 0.00 31.44 30.53 2kgl n GLU 161 CO 0.00 0.00 0.00 1.17 -0.48 0.00 0.00 177.13 177.82 2kgl n LYS 162 N -2.42 -2.04 -3.78 3.49 0.00 -1.26 -5.03 118.16 107.11 2kgl n LYS 162 Ca 0.00 1.89 -0.09 0.00 0.00 0.00 0.00 58.31 60.10 2kgl n LYS 162 Cb 0.34 -4.99 -0.06 0.00 0.00 0.00 0.00 35.03 30.32 2kgl n LYS 162 CO 0.00 0.00 0.00 -0.80 0.00 0.00 0.00 177.40 176.60 2kgl s ASN 163 N -2.30 -0.04 0.46 3.14 -0.87 -1.26 -5.11 114.94 108.96 2kgl s ASN 163 Ca 0.20 -0.54 -0.09 0.00 -1.57 0.00 0.00 52.86 50.86 2kgl s ASN 163 Cb -0.06 0.41 -0.05 0.00 -0.02 0.00 0.00 41.25 41.54 2kgl s ASN 163 CO 0.64 -0.81 0.81 -0.54 -2.57 0.00 0.00 177.10 174.63 2kgl s LYS 164 N -3.85 3.67 -0.39 -0.60 1.02 -1.26 -4.80 119.74 113.53 2kgl s LYS 164 Ca 0.06 0.41 0.04 0.00 0.02 0.00 0.00 55.97 56.50 2kgl s LYS 164 Cb 0.03 -2.34 0.16 0.00 -0.52 0.00 0.00 37.83 35.16 2kgl s LYS 164 CO -0.10 -0.17 0.44 -0.08 -0.92 0.00 0.00 175.35 174.52 2kgl s THR 165 N -2.61 -0.42 -0.08 2.17 -1.32 -1.26 -5.02 115.64 107.10 2kgl s THR 165 Ca 0.50 -1.00 -0.01 0.00 -1.21 0.00 0.00 61.69 59.97 2kgl s THR 165 Cb -0.10 -0.57 -0.00 0.00 -1.51 0.00 0.00 72.50 70.31 2kgl s THR 165 CO 0.39 -0.52 -0.02 0.11 -2.21 0.00 0.00 174.62 172.37 2kgl h LYS 166 N 6.76 0.00 -0.08 7.08 1.57 -1.99 -2.90 116.57 127.02 2kgl h LYS 166 Ca 0.07 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.74 2kgl h LYS 166 Cb 1.06 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 33.36 2kgl h LYS 166 CO 0.18 0.00 -0.47 -1.00 -0.57 0.00 0.00 179.45 177.59 2kgl h PRO 167 N -0.71 0.19 0.00 3.15 0.13 -2.03 -2.89 132.00 129.85 2kgl h PRO 167 Ca 0.00 -0.10 -0.04 0.00 -0.87 0.00 0.00 66.00 64.99 2kgl h PRO 167 Cb 0.07 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.20 2kgl h PRO 167 CO 0.00 0.62 -0.20 0.93 -0.23 0.00 0.00 178.00 179.13 2kgl h GLU 168 N 0.15 0.00 -0.13 0.86 4.39 -1.96 -3.13 114.58 114.76 2kgl h GLU 168 Ca 0.01 0.00 0.05 0.00 0.34 0.00 0.00 59.36 59.76 2kgl h GLU 168 Cb 0.89 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.48 2kgl h GLU 168 CO 0.07 0.20 -0.30 -0.22 -1.16 0.00 0.00 179.01 177.59 2kgl h LYS 169 N 0.00 -0.37 0.00 2.33 3.64 -1.29 -1.87 116.57 119.02 2kgl h LYS 169 Ca -0.00 0.02 -0.15 0.00 -1.27 0.00 0.00 60.65 59.25 2kgl h LYS 169 Cb 1.07 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.95 2kgl h LYS 169 CO 0.03 -0.24 -0.73 0.00 -2.27 0.00 0.00 179.45 176.23 2kgl h ALA 170 N 0.47 0.68 -0.14 5.00 0.00 -1.70 -3.13 119.26 120.43 2kgl h ALA 170 Ca 0.10 -0.67 0.05 0.00 0.00 0.00 0.00 54.91 54.39 2kgl h ALA 170 Cb 0.53 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.14 2kgl h ALA 170 CO -0.34 0.92 -0.29 -0.22 0.00 0.00 0.00 179.25 179.31 2kgl h LYS 171 N 0.00 -0.35 -0.46 0.00 3.64 -1.31 0.24 116.57 118.34 2kgl h LYS 171 Ca -0.01 0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.31 2kgl h LYS 171 Cb 1.39 0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 33.27 2kgl h LYS 171 CO 0.10 -0.23 -0.06 0.87 -2.27 0.00 0.00 179.45 177.85 2kgl h LYS 172 N -0.36 0.85 0.00 1.90 1.57 -1.47 -2.63 116.57 116.43 2kgl h LYS 172 Ca 0.10 -0.30 -0.00 0.00 -1.87 0.00 0.00 60.65 58.58 2kgl h LYS 172 Cb 0.51 -0.06 -0.00 0.00 0.08 0.00 0.00 32.23 32.76 2kgl h LYS 172 CO -0.34 0.93 -0.01 0.87 -0.57 0.00 0.00 179.45 180.34 2kgl h LYS 173 N 0.69 0.00 -0.02 3.15 1.57 -1.35 -0.86 116.57 119.75 2kgl h LYS 173 Ca 0.12 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.75 2kgl h LYS 173 Cb 0.59 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.88 2kgl h LYS 173 CO 0.04 0.01 -0.70 1.49 -0.57 0.00 0.00 179.45 179.71 2kgl h GLU 174 N 0.00 0.10 0.00 3.15 4.81 -0.16 -3.41 114.58 119.06 2kgl h GLU 174 Ca -0.00 -0.08 0.00 0.00 -0.13 0.00 0.00 59.36 59.15 2kgl h GLU 174 Cb 0.01 0.02 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2kgl h GLU 174 CO 0.00 0.75 0.00 0.41 -0.73 0.00 0.00 179.01 179.44 2kgl n GLY 175 N 0.47 1.82 0.16 1.92 0.00 -0.33 -3.65 105.19 105.58 2kgl n GLY 175 Ca -0.02 -0.89 -0.06 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.25 0.59 1.61 3.32 -1.79 -1.52 116.42 118.38 2kgl h ASP 176 Ca 0.00 -0.08 -0.08 0.00 0.02 0.00 0.00 57.03 56.89 2kgl h ASP 176 Cb 0.00 0.06 -0.01 0.00 0.22 0.00 0.00 39.33 39.60 2kgl h ASP 176 CO 0.00 0.25 -0.38 1.55 -1.72 0.00 0.00 179.24 178.93 2kgl h PRO 177 N -1.05 0.00 -1.91 3.56 0.13 -1.96 -3.36 132.00 127.41 2kgl h PRO 177 Ca -0.03 0.00 -0.52 0.00 -0.87 0.00 0.00 66.00 64.58 2kgl h PRO 177 Cb 0.31 0.00 -0.36 0.00 0.13 0.00 0.00 31.00 31.09 2kgl h PRO 177 CO 0.05 0.38 -0.99 1.17 -0.23 0.00 0.00 178.00 178.38 2kgl n LYS 178 N -3.78 0.54 -1.94 0.86 4.81 -1.25 -5.06 118.16 112.35 2kgl n LYS 178 Ca -0.01 -3.03 -0.30 0.00 -0.87 0.00 0.00 58.31 54.09 2kgl n LYS 178 Cb 0.46 -1.39 -0.06 0.00 0.02 0.00 0.00 35.03 34.06 2kgl n LYS 178 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 2kgl n PRO 179 N 1.94 1.58 -0.98 1.64 -0.04 -0.57 -3.86 135.00 134.72 2kgl n PRO 179 Ca 0.23 -2.38 -0.00 0.00 -0.04 0.00 0.00 63.50 61.30 2kgl n PRO 179 Cb 0.52 -3.62 0.00 0.00 -0.04 0.00 0.00 33.50 30.36 2kgl n PRO 179 CO 0.00 0.00 0.00 -2.13 -0.04 0.00 0.00 175.50 173.33 2kgl n ARG 180 N 8.11 0.05 -0.05 0.54 0.63 -1.24 -5.00 116.66 119.70 2kgl n ARG 180 Ca 0.46 -0.09 -0.07 0.00 -0.92 0.00 0.00 57.85 57.22 2kgl n ARG 180 Cb 0.46 0.31 -0.04 0.00 0.45 0.00 0.00 32.46 33.63 2kgl n ARG 180 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 2kgl n ALA 181 N -0.05 1.89 -0.37 5.13 0.00 -1.25 -4.62 120.51 121.24 2kgl n ALA 181 Ca -0.02 -0.40 0.05 0.00 0.00 0.00 0.00 53.44 53.06 2kgl n ALA 181 Cb 0.39 0.30 0.20 0.00 0.00 0.00 0.00 19.45 20.34 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 -0.06 0.98 0.02 0.00 4.64 -1.81 0.24 113.55 117.56 2kgl h SER 182 Ca -0.22 0.03 0.03 0.00 -0.47 0.00 0.00 61.79 61.16 2kgl h SER 182 Cb 1.31 -0.18 -0.05 0.00 -0.31 0.00 0.00 62.40 63.17 2kgl h SER 182 CO -0.05 0.58 -0.40 0.50 -0.87 0.00 0.00 176.83 176.59 2kgl h LYS 183 N 1.09 -0.54 -0.37 4.77 3.64 -1.91 0.13 116.57 123.38 2kgl h LYS 183 Ca 0.46 0.04 -0.17 0.00 -1.27 0.00 0.00 60.65 59.71 2kgl h LYS 183 Cb 0.32 0.12 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 2kgl h LYS 183 CO -0.22 -0.36 -0.41 0.93 -2.27 0.00 0.00 179.45 177.12 2kgl h GLU 184 N -0.56 0.94 0.25 1.90 5.08 -1.72 -3.03 114.58 117.44 2kgl h GLU 184 Ca 0.05 -0.51 0.01 0.00 -1.00 0.00 0.00 59.36 57.90 2kgl h GLU 184 Cb 0.64 0.03 -0.04 0.00 0.50 0.00 0.00 28.75 29.88 2kgl h GLU 184 CO -0.30 1.17 -0.49 -0.44 -1.00 0.00 0.00 179.01 177.95 2kgl h ASP 185 N 0.76 -1.41 -0.99 1.42 5.19 -0.12 -1.83 116.42 119.44 2kgl h ASP 185 Ca 0.05 0.14 0.17 0.00 -0.62 0.00 0.00 57.03 56.78 2kgl h ASP 185 Cb 1.01 0.51 -0.10 0.00 0.18 0.00 0.00 39.33 40.93 2kgl h ASP 185 CO 0.10 -0.58 0.60 0.78 -3.12 0.00 0.00 179.24 177.02 2kgl h ASN 186 N -0.81 0.79 -0.81 6.45 4.21 -0.81 -0.05 115.58 124.54 2kgl h ASN 186 Ca -0.02 0.09 0.14 0.00 1.21 0.00 0.00 56.30 57.72 2kgl h ASN 186 Cb 0.78 -0.06 -0.09 0.00 -1.12 0.00 0.00 38.32 37.83 2kgl h ASN 186 CO -0.20 0.31 0.41 -0.09 -1.29 0.00 0.00 177.43 176.57 2kgl h ARG 187 N 0.80 0.58 0.00 0.81 2.43 -1.21 -3.15 114.38 114.64 2kgl h ARG 187 Ca 0.55 -0.04 0.00 0.00 -0.81 0.00 0.00 59.98 59.69 2kgl h ARG 187 Cb 0.79 -0.13 0.00 0.00 -0.42 0.00 0.00 29.97 30.21 2kgl h ARG 187 CO -0.36 0.39 0.00 0.00 -1.51 0.00 0.00 179.97 178.49 2kgl n ALA 188 N -2.43 -0.23 -0.88 2.80 0.00 -0.11 -4.64 120.51 115.01 2kgl n ALA 188 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 2kgl n ALA 188 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 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 -0.72 -4.14 0.07 0.00 0.00 -1.18 -0.26 105.19 98.96 2kgl n GLY 189 Ca 0.00 -0.69 -0.01 0.00 0.00 0.00 0.00 46.02 45.32 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 0.17 2.01 -2.55 1.61 7.64 -1.26 -0.81 113.62 120.43 2kgl n SER 190 Ca 0.00 -1.04 -0.01 0.00 1.01 0.00 0.00 58.87 58.83 2kgl n SER 190 Cb 0.00 0.01 0.00 0.00 -1.01 0.00 0.00 64.21 63.21 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 -0.03 -2.95 -3.24 1.43 0.63 -1.26 -4.08 116.66 107.16 2kgl n ARG 191 Ca -0.00 2.44 -0.23 0.00 -0.92 0.00 0.00 57.85 59.13 2kgl n ARG 191 Cb 0.01 -4.81 0.04 0.00 0.45 0.00 0.00 32.46 28.15 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -2.51 0.00 0.00 177.63 175.66 2kgl n ARG 192 N 0.53 -5.66 0.00 -0.14 3.00 -1.26 -4.79 116.66 108.34 2kgl n ARG 192 Ca 0.01 0.85 0.00 0.00 -0.01 0.00 0.00 57.85 58.70 2kgl n ARG 192 Cb 0.03 -5.76 0.00 0.00 0.00 0.00 0.00 32.46 26.74 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.63 178.02 2kgl n GLU 193 N -4.31 0.00 -2.91 5.56 1.02 -1.26 -5.12 120.64 113.62 2kgl n GLU 193 Ca -0.07 0.00 -0.02 0.00 -0.02 0.00 0.00 57.16 57.05 2kgl n GLU 193 Cb 0.60 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 32.02 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 2kgl n ASP 194 N -2.09 -7.48 0.00 1.62 8.00 0.01 -4.96 116.55 111.65 2kgl n ASP 194 Ca 0.00 0.98 0.00 0.00 0.71 0.00 0.00 54.79 56.48 2kgl n ASP 194 Cb 0.00 -4.01 0.00 0.00 -0.02 0.00 0.00 41.12 37.09 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99