#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kgl s ASP 2 N 0.00 7.04 0.53 0.00 -4.77 -1.25 -4.37 116.67 113.85 2kgl s ASP 2 Ca 0.00 2.16 -0.18 0.00 -3.30 0.00 0.00 52.55 51.22 2kgl s ASP 2 Cb 0.00 -2.59 -0.06 0.00 -1.09 0.00 0.00 42.92 39.17 2kgl s ASP 2 CO 0.00 -0.46 1.06 0.42 0.70 0.00 0.00 175.17 176.89 2kgl s THR 3 N 0.59 3.71 0.04 2.11 -4.23 -1.26 -4.99 115.64 111.60 2kgl s THR 3 Ca 0.57 0.97 -0.21 0.00 -1.18 0.00 0.00 61.69 61.84 2kgl s THR 3 Cb -0.32 -3.40 -0.15 0.00 1.34 0.00 0.00 72.50 69.97 2kgl s THR 3 CO 0.33 -0.32 1.34 1.55 -0.54 0.00 0.00 174.62 176.97 2kgl h PRO 4 N 1.10 0.33 -4.80 3.99 0.13 -2.01 -3.49 132.00 127.24 2kgl h PRO 4 Ca -0.49 -0.17 0.00 0.00 -0.87 0.00 0.00 66.00 64.47 2kgl h PRO 4 Cb 1.23 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kgl h PRO 4 CO 0.58 0.72 -0.05 0.41 -0.23 0.00 0.00 178.00 179.43 2kgl n GLY 5 N 0.19 -1.04 0.02 1.56 0.00 -1.26 -4.90 105.19 99.76 2kgl n GLY 5 Ca -0.06 0.40 0.00 0.00 0.00 0.00 0.00 46.02 46.35 2kgl n GLY 5 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 2kgl n GLU 6 N -1.42 0.00 -0.52 1.61 0.28 -1.26 -4.96 120.64 114.37 2kgl n GLU 6 Ca 0.01 0.00 0.06 0.00 -0.16 0.00 0.00 57.16 57.07 2kgl n GLU 6 Cb 0.48 0.00 0.12 0.00 1.43 0.00 0.00 31.44 33.47 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 2kgl n ALA 7 N -0.86 2.68 -1.66 -1.84 0.00 -1.26 -5.08 120.51 112.50 2kgl n ALA 7 Ca 0.00 -2.54 -0.34 0.00 0.00 0.00 0.00 53.44 50.56 2kgl n ALA 7 Cb 0.00 -0.44 0.02 0.00 0.00 0.00 0.00 19.45 19.03 2kgl n ALA 7 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 2kgl s THR 8 N -2.11 3.30 0.96 0.00 -4.23 -1.26 -5.03 115.64 107.27 2kgl s THR 8 Ca 0.29 0.71 -0.12 0.00 -1.18 0.00 0.00 61.69 61.38 2kgl s THR 8 Cb 0.28 -3.24 0.17 0.00 1.34 0.00 0.00 72.50 71.05 2kgl s THR 8 CO -0.04 -0.27 1.09 -2.16 -0.54 0.00 0.00 174.62 172.70 2kgl s PRO 9 N -3.67 0.73 0.96 3.99 0.04 -1.26 -5.04 135.00 130.75 2kgl s PRO 9 Ca 0.69 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.25 2kgl s PRO 9 Cb -0.21 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.73 2kgl s PRO 9 CO 0.33 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.66 2kgl s PRO 10 N -4.95 0.73 -1.02 0.56 0.04 -1.26 -4.89 135.00 124.21 2kgl s PRO 10 Ca 0.65 0.63 -0.24 0.00 0.04 0.00 0.00 61.00 62.08 2kgl s PRO 10 Cb -0.18 -1.76 -0.06 0.00 0.04 0.00 0.00 34.50 32.53 2kgl s PRO 10 CO 0.57 -2.55 1.94 -1.25 0.04 0.00 0.00 177.00 175.75 2kgl s PRO 11 N -4.95 2.53 0.18 0.56 0.04 -1.26 -4.76 135.00 127.33 2kgl s PRO 11 Ca 0.65 -0.65 -0.06 0.00 0.04 0.00 0.00 61.00 60.98 2kgl s PRO 11 Cb -0.18 -5.14 0.08 0.00 0.04 0.00 0.00 34.50 29.30 2kgl s PRO 11 CO 0.57 -3.63 1.52 -0.09 0.04 0.00 0.00 177.00 175.41 2kgl h ARG 12 N 10.65 0.73 0.00 4.56 2.43 -2.01 -3.38 114.38 127.37 2kgl h ARG 12 Ca 0.15 -0.40 0.00 0.00 -0.81 0.00 0.00 59.98 58.92 2kgl h ARG 12 Cb 0.98 0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.55 2kgl h ARG 12 CO 1.22 1.02 -0.34 0.36 -1.51 0.00 0.00 179.97 180.72 2kgl n LYS 13 N -4.03 0.00 0.09 0.20 -0.00 -1.26 -4.82 118.16 108.34 2kgl n LYS 13 Ca -0.02 -0.70 -0.05 0.00 -0.00 0.00 0.00 58.31 57.54 2kgl n LYS 13 Cb 0.55 -0.36 -0.02 0.00 -0.00 0.00 0.00 35.03 35.20 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 0.00 -0.29 -0.65 -1.58 1.63 -1.81 -3.34 116.57 110.52 2kgl h LYS 14 Ca 0.00 0.02 0.00 0.00 -0.85 0.00 0.00 60.65 59.82 2kgl h LYS 14 Cb 1.27 0.07 0.00 0.00 -0.60 0.00 0.00 32.23 32.97 2kgl h LYS 14 CO 0.00 -0.19 0.00 1.17 -3.45 0.00 0.00 179.45 176.98 2kgl n LYS 15 N -4.49 4.21 -0.06 1.90 4.81 -1.26 -4.21 118.16 119.05 2kgl n LYS 15 Ca -0.04 -2.62 -0.05 0.00 -0.87 0.00 0.00 58.31 54.73 2kgl n LYS 15 Cb 0.12 -2.12 -0.03 0.00 0.02 0.00 0.00 35.03 33.01 2kgl n LYS 15 CO 0.00 0.00 0.00 0.22 1.17 0.00 0.00 177.40 178.79 2kgl h ASP 16 N 3.35 0.00 -4.95 3.14 1.82 -1.88 -3.51 116.42 114.39 2kgl h ASP 16 Ca 0.00 -0.21 0.01 0.00 -0.39 0.00 0.00 57.03 56.44 2kgl h ASP 16 Cb 1.71 0.00 -0.11 0.00 0.68 0.00 0.00 39.33 41.61 2kgl h ASP 16 CO 0.40 0.73 -1.47 -0.38 -1.61 0.00 0.00 179.24 176.90 2kgl n ILE 17 N -4.68-13.07 -1.69 2.25 2.08 -1.26 -4.49 119.36 98.50 2kgl n ILE 17 Ca -0.06 2.90 -0.53 0.00 0.56 0.00 0.00 62.75 65.62 2kgl n ILE 17 Cb 0.20 -6.45 -0.06 0.00 -0.75 0.00 0.00 39.64 32.58 2kgl n ILE 17 CO 0.00 0.00 0.00 -1.14 0.56 0.00 0.00 176.55 175.97 2kgl n ARG 18 N 1.77 1.63 -1.57 0.38 0.63 -1.26 0.20 116.66 118.43 2kgl n ARG 18 Ca -0.33 0.59 -0.15 0.00 -0.92 0.00 0.00 57.85 57.04 2kgl n ARG 18 Cb 0.52 -2.37 -0.05 0.00 0.45 0.00 0.00 32.46 31.00 2kgl n ARG 18 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 2kgl n ASP 19 N 6.22 -3.92 -2.69 6.15 2.03 -1.22 0.01 116.55 123.14 2kgl n ASP 19 Ca 0.25 0.33 -0.11 0.00 0.52 0.00 0.00 54.79 55.78 2kgl n ASP 19 Cb 0.21 -3.56 -0.01 0.00 -0.72 0.00 0.00 41.12 37.04 2kgl n ASP 19 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kgl n TYR 20 N -2.20 -1.67 0.00 -0.67 4.02 0.13 -3.87 117.16 112.90 2kgl n TYR 20 Ca -0.15 0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.84 2kgl n TYR 20 Cb 0.50 -2.14 0.00 0.00 -0.02 0.00 0.00 39.34 37.68 2kgl n TYR 20 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2kgl n ASN 21 N -1.80 0.00 0.33 7.72 2.85 -0.56 -4.95 115.26 118.85 2kgl n ASN 21 Ca -0.06 0.00 0.21 0.00 -0.11 0.00 0.00 54.58 54.61 2kgl n ASN 21 Cb 0.56 0.00 1.11 0.00 1.24 0.00 0.00 39.78 42.69 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 -0.61 1.20 5.19 -0.52 -2.71 116.42 118.97 2kgl h ASP 22 Ca 0.00 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.53 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 -0.16 0.00 -3.12 0.00 0.00 179.24 175.96 2kgl h ALA 23 N 1.86 0.37 -0.67 3.45 0.00 -1.75 0.57 119.26 123.09 2kgl h ALA 23 Ca 0.00 0.23 0.10 0.00 0.00 0.00 0.00 54.91 55.24 2kgl h ALA 23 Cb 0.14 0.48 -0.07 0.00 0.00 0.00 0.00 17.79 18.34 2kgl h ALA 23 CO 0.00 -0.44 0.30 -0.44 0.00 0.00 0.00 179.25 178.67 2kgl h ASP 24 N -0.01 0.35 -0.76 0.00 3.32 -1.81 -0.76 116.42 116.74 2kgl h ASP 24 Ca 0.29 0.07 0.01 0.00 0.02 0.00 0.00 57.03 57.42 2kgl h ASP 24 Cb 0.46 0.02 -0.04 0.00 0.22 0.00 0.00 39.33 39.99 2kgl h ASP 24 CO -0.63 0.20 0.50 0.24 -1.72 0.00 0.00 179.24 177.82 2kgl h MET 25 N 0.51 1.01 -0.96 3.56 2.86 -1.10 -2.06 114.93 118.75 2kgl h MET 25 Ca 0.34 -0.07 0.21 0.00 -2.06 0.00 0.00 59.70 58.12 2kgl h MET 25 Cb 0.40 -0.22 -0.08 0.00 0.06 0.00 0.00 31.60 31.75 2kgl h MET 25 CO -0.30 0.68 0.62 0.00 1.06 0.00 0.00 176.91 178.97 2kgl h ALA 26 N 1.51 2.03 -0.47 6.32 0.00 -0.10 0.24 119.26 128.78 2kgl h ALA 26 Ca 0.28 0.04 0.05 0.00 0.00 0.00 0.00 54.91 55.29 2kgl h ALA 26 Cb -0.10 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 17.62 2kgl h ALA 26 CO -0.06 -0.36 0.32 -0.09 0.00 0.00 0.00 179.25 179.05 2kgl h ARG 27 N 0.53 0.41 -0.72 0.00 9.65 -1.33 -2.10 114.38 120.82 2kgl h ARG 27 Ca 0.52 -0.02 0.14 0.00 -1.10 0.00 0.00 59.98 59.52 2kgl h ARG 27 Cb 1.13 -0.09 -0.10 0.00 -1.39 0.00 0.00 29.97 29.52 2kgl h ARG 27 CO -0.26 0.27 0.24 -0.07 2.80 0.00 0.00 179.97 182.95 2kgl h LEU 28 N 0.42 0.17 -1.87 3.80 3.38 -0.63 0.24 115.31 120.83 2kgl h LEU 28 Ca 0.20 0.12 0.13 0.00 0.09 0.00 0.00 57.88 58.42 2kgl h LEU 28 Cb 0.27 0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.11 2kgl h LEU 28 CO -0.05 0.06 0.37 0.25 0.09 0.00 0.00 178.44 179.16 2kgl h LEU 29 N 0.37 0.13 -1.14 1.67 5.85 -1.48 0.23 115.31 120.93 2kgl h LEU 29 Ca 0.39 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 59.05 2kgl h LEU 29 Cb 0.61 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.61 2kgl h LEU 29 CO -0.42 0.07 -0.31 -0.33 -0.34 0.00 0.00 178.44 177.11 2kgl h GLU 30 N 0.14 0.00 -1.00 1.25 4.39 -0.61 -3.09 114.58 115.65 2kgl h GLU 30 Ca 0.25 0.00 0.22 0.00 0.34 0.00 0.00 59.36 60.17 2kgl h GLU 30 Cb 0.81 0.00 -0.12 0.00 -0.10 0.00 0.00 28.75 29.35 2kgl h GLU 30 CO -0.03 0.31 0.60 0.37 -1.16 0.00 0.00 179.01 179.10 2kgl h GLN 31 N 0.00 0.65 -0.49 2.33 5.75 -0.36 0.14 115.11 123.13 2kgl h GLN 31 Ca -0.00 -0.04 -0.06 0.00 -0.15 0.00 0.00 58.65 58.40 2kgl h GLN 31 Cb 0.76 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 29.15 2kgl h GLN 31 CO 0.04 0.43 0.06 -1.49 -2.65 0.00 0.00 178.83 175.22 2kgl h TRP 32 N 0.67 0.87 0.00 3.99 -0.00 -1.66 -2.55 115.95 117.27 2kgl h TRP 32 Ca 0.61 -0.13 -0.03 0.00 -0.00 0.00 0.00 58.89 59.35 2kgl h TRP 32 Cb 1.06 -0.24 -0.00 0.00 -0.00 0.00 0.00 29.16 29.98 2kgl h TRP 32 CO -0.01 0.81 -0.12 0.93 -0.00 0.00 0.00 178.44 180.04 2kgl h GLU 33 N 0.68 0.00 -0.52 0.49 3.07 -1.00 -3.03 114.58 114.26 2kgl h GLU 33 Ca 0.15 0.00 -0.04 0.00 -0.50 0.00 0.00 59.36 58.97 2kgl h GLU 33 Cb 0.42 0.00 -0.02 0.00 -0.84 0.00 0.00 28.75 28.30 2kgl h GLU 33 CO 0.01 0.12 0.17 -0.22 -1.40 0.00 0.00 179.01 177.70 2kgl h LYS 34 N 0.00 0.80 -0.94 2.33 3.11 -0.41 0.27 116.57 121.74 2kgl h LYS 34 Ca -0.00 -0.17 0.26 0.00 -2.81 0.00 0.00 60.65 57.93 2kgl h LYS 34 Cb 0.61 -0.12 -0.05 0.00 -1.00 0.00 0.00 32.23 31.68 2kgl h LYS 34 CO 0.02 0.73 0.66 -0.44 -2.81 0.00 0.00 179.45 177.61 2kgl h ASP 35 N 0.71 0.09 0.00 4.20 5.19 -1.49 0.40 116.42 125.53 2kgl h ASP 35 Ca 0.17 0.01 -0.16 0.00 -0.62 0.00 0.00 57.03 56.44 2kgl h ASP 35 Cb 0.26 -0.00 -0.02 0.00 0.18 0.00 0.00 39.33 39.74 2kgl h ASP 35 CO -0.01 0.03 -1.06 -0.67 -3.12 0.00 0.00 179.24 174.41 2kgl n ASP 36 N -4.32 1.85 0.00 6.45 -0.08 -0.93 -4.67 116.55 114.85 2kgl n ASP 36 Ca 0.20 0.49 0.00 0.00 -1.51 0.00 0.00 54.79 53.97 2kgl n ASP 36 Cb 0.95 -0.92 0.00 0.00 2.34 0.00 0.00 41.12 43.49 2kgl n ASP 36 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kgl n ASP 37 N -4.49 0.00 -2.31 1.67 8.00 0.04 -5.02 116.55 114.44 2kgl n ASP 37 Ca -0.24 0.89 -0.00 0.00 0.71 0.00 0.00 54.79 56.14 2kgl n ASP 37 Cb 0.54 -0.48 -0.00 0.00 -0.02 0.00 0.00 41.12 41.16 2kgl n ASP 37 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 2kgl n ILE 38 N -1.95 -8.82 -2.92 0.53 5.41 0.14 -5.04 119.36 106.70 2kgl n ILE 38 Ca 0.00 1.28 -0.13 0.00 1.00 0.00 0.00 62.75 64.90 2kgl n ILE 38 Cb 0.00 -5.97 0.03 0.00 -0.71 0.00 0.00 39.64 32.99 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 176.55 177.76 2kgl n GLU 39 N 0.50 0.93 -2.26 0.38 4.07 -1.26 -5.12 120.64 117.87 2kgl n GLU 39 Ca -0.01 -2.47 -0.23 0.00 -0.06 0.00 0.00 57.16 54.39 2kgl n GLU 39 Cb 0.02 -1.32 0.13 0.00 -0.06 0.00 0.00 31.44 30.21 2kgl n GLU 39 CO 0.00 0.00 0.00 -0.85 -0.06 0.00 0.00 177.13 176.22 2kgl n GLU 40 N 0.67 -0.38 0.00 5.31 0.28 -1.26 -4.40 120.64 120.87 2kgl n GLU 40 Ca 0.14 -2.38 0.00 0.00 -0.16 0.00 0.00 57.16 54.76 2kgl n GLU 40 Cb 0.66 -0.80 0.00 0.00 1.43 0.00 0.00 31.44 32.73 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2kgl n GLY 41 N -2.44 0.00 1.99 -1.84 0.00 -1.22 -4.64 105.19 97.04 2kgl n GLY 41 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 2kgl n GLY 41 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kgl n ASP 42 N -2.23 -7.76 -4.46 1.61 2.03 -1.26 -5.05 116.55 99.42 2kgl n ASP 42 Ca 0.00 1.38 -0.24 0.00 0.52 0.00 0.00 54.79 56.45 2kgl n ASP 42 Cb 0.44 -4.22 -0.10 0.00 -0.72 0.00 0.00 41.12 36.52 2kgl n ASP 42 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 2kgl s LEU 43 N -0.45 2.58 0.09 -2.67 1.43 -1.26 -5.06 118.68 113.33 2kgl s LEU 43 Ca 0.00 -1.02 -0.16 0.00 -1.03 0.00 0.00 54.13 51.92 2kgl s LEU 43 Cb 0.00 -1.09 -0.10 0.00 0.03 0.00 0.00 46.19 45.03 2kgl s LEU 43 CO 0.00 0.04 1.40 1.55 0.23 0.00 0.00 176.35 179.57 2kgl h PRO 44 N 2.34 0.62 -6.29 1.29 0.13 -1.97 -3.48 132.00 124.65 2kgl h PRO 44 Ca -0.40 -0.33 -0.45 0.00 -0.87 0.00 0.00 66.00 63.95 2kgl h PRO 44 Cb 1.26 0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.42 2kgl h PRO 44 CO 0.59 0.93 -0.89 0.39 -0.23 0.00 0.00 178.00 178.78 2kgl n GLU 45 N -4.34 -2.85 -0.29 0.86 1.02 -1.26 -4.85 120.64 108.94 2kgl n GLU 45 Ca -0.04 0.48 0.07 0.00 -0.02 0.00 0.00 57.16 57.64 2kgl n GLU 45 Cb 0.44 -4.54 0.22 0.00 -0.02 0.00 0.00 31.44 27.54 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 -1.85 0.72 0.00 -0.32 2.07 -1.98 -3.44 115.15 110.35 2kgl h HIS 46 Ca -0.64 0.03 0.00 0.00 -2.85 0.00 0.00 60.37 56.92 2kgl h HIS 46 Cb 1.36 -0.19 0.00 0.00 2.57 0.00 0.00 27.41 31.15 2kgl h HIS 46 CO 0.42 0.16 0.00 1.17 -3.07 0.00 0.00 177.93 176.61 2kgl n LYS 47 N -4.89 0.00 -2.98 5.12 4.81 -1.26 -5.08 118.16 113.87 2kgl n LYS 47 Ca 0.17 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.48 2kgl n LYS 47 Cb 0.44 0.00 0.01 0.00 0.02 0.00 0.00 35.03 35.50 2kgl n LYS 47 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 2kgl n ARG 48 N -0.43 -2.23 -2.09 1.64 3.00 -1.26 -4.68 116.66 110.61 2kgl n ARG 48 Ca 0.00 1.96 -0.43 0.00 -0.01 0.00 0.00 57.85 59.37 2kgl n ARG 48 Cb 0.00 -5.11 -0.03 0.00 0.00 0.00 0.00 32.46 27.33 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 -2.65 3.51 0.27 5.56 0.04 -1.26 -4.99 135.00 135.47 2kgl s PRO 49 Ca 0.25 1.40 0.08 0.00 0.04 0.00 0.00 61.00 62.78 2kgl s PRO 49 Cb -0.06 -4.12 -0.04 0.00 0.04 0.00 0.00 34.50 30.32 2kgl s PRO 49 CO 0.79 -1.65 0.09 -1.54 0.04 0.00 0.00 177.00 174.73 2kgl s SER 50 N 5.18 4.96 0.13 6.66 1.04 -1.26 -5.14 113.70 125.26 2kgl s SER 50 Ca 0.74 -0.49 -0.14 0.00 0.48 0.00 0.00 55.95 56.54 2kgl s SER 50 Cb -0.22 -1.06 0.03 0.00 0.10 0.00 0.00 66.02 64.87 2kgl s SER 50 CO 0.32 -0.04 0.37 0.00 0.98 0.00 0.00 173.24 174.87 2kgl s ALA 51 N -2.25 -0.75 -1.15 5.32 0.00 -1.26 -4.74 121.76 116.93 2kgl s ALA 51 Ca 0.33 -0.22 -0.23 0.00 0.00 0.00 0.00 51.96 51.84 2kgl s ALA 51 Cb -0.07 0.68 -0.10 0.00 0.00 0.00 0.00 23.12 23.64 2kgl s ALA 51 CO 0.22 -0.63 1.93 -0.35 0.00 0.00 0.00 175.76 176.93 2kgl n PRO 52 N -0.21 1.59 -0.57 0.00 -0.04 -1.26 -4.62 135.00 129.90 2kgl n PRO 52 Ca -0.15 -2.41 0.03 0.00 -0.04 0.00 0.00 63.50 60.93 2kgl n PRO 52 Cb 0.63 -3.65 0.22 0.00 -0.04 0.00 0.00 33.50 30.66 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 7.63 2.36 -2.25 0.52 -5.35 -1.26 -5.02 119.36 115.98 2kgl n ILE 53 Ca 0.45 -2.37 -0.26 0.00 -0.27 0.00 0.00 62.75 60.30 2kgl n ILE 53 Cb 0.46 -0.28 0.16 0.00 -1.74 0.00 0.00 39.64 38.24 2kgl n ILE 53 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 2kgl n ASP 54 N -0.93 0.71 -0.09 7.28 -0.08 -1.26 -5.05 116.55 117.12 2kgl n ASP 54 Ca 0.26 -1.80 -0.18 0.00 -1.51 0.00 0.00 54.79 51.56 2kgl n ASP 54 Cb 0.92 -0.84 -0.10 0.00 2.34 0.00 0.00 41.12 43.44 2kgl n ASP 54 CO 0.00 0.00 0.00 -0.26 0.12 0.00 0.00 177.20 177.06 2kgl h PHE 55 N -1.21 0.00 -4.85 -0.67 0.04 -1.93 -3.50 116.94 104.82 2kgl h PHE 55 Ca -0.38 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.39 2kgl h PHE 55 Cb 1.20 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.35 2kgl h PHE 55 CO 0.00 1.19 -0.52 0.43 -0.60 0.00 0.00 178.31 178.81 2kgl n SER 56 N -4.49 -6.95 -2.60 2.17 7.64 -1.11 -5.02 113.62 103.26 2kgl n SER 56 Ca -0.25 0.64 -0.04 0.00 1.01 0.00 0.00 58.87 60.23 2kgl n SER 56 Cb 0.58 -4.63 0.10 0.00 -1.01 0.00 0.00 64.21 59.25 2kgl n SER 56 CO 0.00 0.00 0.00 2.29 -3.01 0.00 0.00 175.04 174.32 2kgl n LYS 57 N -0.09 1.05 0.00 1.43 2.85 -1.24 -5.00 118.16 117.15 2kgl n LYS 57 Ca 0.07 -1.35 0.00 0.00 -1.05 0.00 0.00 58.31 55.98 2kgl n LYS 57 Cb 0.28 0.13 0.00 0.00 -0.65 0.00 0.00 35.03 34.79 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 -0.87 0.83 -4.71 -5.58 7.99 -1.22 -5.02 117.00 108.41 2kgl n LEU 58 Ca -0.11 0.11 -0.23 0.00 -0.01 0.00 0.00 56.01 55.78 2kgl n LEU 58 Cb 0.81 -0.22 -0.06 0.00 -0.11 0.00 0.00 43.42 43.84 2kgl n LEU 58 CO -0.11 -0.22 -0.26 -1.81 -1.51 0.00 0.00 177.39 173.48 2kgl s ASP 59 N -2.12 4.92 0.00 -1.43 1.11 -1.26 -5.06 116.67 112.83 2kgl s ASP 59 Ca 0.00 -0.50 -0.24 0.00 0.18 0.00 0.00 52.55 51.99 2kgl s ASP 59 Cb 0.00 -1.05 -0.18 0.00 1.07 0.00 0.00 42.92 42.76 2kgl s ASP 59 CO 0.00 -0.02 1.30 1.55 1.18 0.00 0.00 175.17 179.17 2kgl h PRO 60 N 1.73 0.14 0.00 8.23 0.13 -2.03 -3.49 132.00 136.71 2kgl h PRO 60 Ca -0.46 -0.08 0.00 0.00 -0.87 0.00 0.00 66.00 64.60 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 0.59 0.00 0.41 -0.23 0.00 0.00 178.00 179.37 2kgl n GLY 61 N 0.21 3.77 0.00 1.56 0.00 -1.26 -5.11 105.19 104.35 2kgl n GLY 61 Ca -0.08 -0.67 0.00 0.00 0.00 0.00 0.00 46.02 45.27 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 -1.17 0.00 -2.13 1.61 5.02 -1.26 -5.11 118.16 115.11 2kgl n LYS 62 Ca 0.00 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.86 2kgl n LYS 62 Cb 0.00 0.00 -0.03 0.00 -0.02 0.00 0.00 35.03 34.98 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 2kgl s PRO 63 N 0.00 3.90 0.41 1.97 0.04 -1.26 -4.88 135.00 135.17 2kgl s PRO 63 Ca 0.00 1.74 0.23 0.00 0.04 0.00 0.00 61.00 63.01 2kgl s PRO 63 Cb 0.00 -4.00 0.39 0.00 0.04 0.00 0.00 34.50 30.93 2kgl s PRO 63 CO 0.00 -1.17 1.63 0.93 0.04 0.00 0.00 177.00 178.43 2kgl h GLU 64 N 10.30 0.00 -0.78 4.56 5.08 -1.95 -3.27 114.58 128.53 2kgl h GLU 64 Ca -0.34 0.00 0.22 0.00 -1.00 0.00 0.00 59.36 58.25 2kgl h GLU 64 Cb 1.15 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.37 2kgl h GLU 64 CO 0.99 0.00 0.60 0.66 -1.00 0.00 0.00 179.01 180.27 2kgl h SER 65 N 0.00 0.00 -0.50 1.42 4.64 -1.90 -1.08 113.55 116.14 2kgl h SER 65 Ca 0.00 0.00 0.10 0.00 -0.47 0.00 0.00 61.79 61.42 2kgl h SER 65 Cb 0.97 0.00 -0.09 0.00 -0.31 0.00 0.00 62.40 62.97 2kgl h SER 65 CO 0.00 0.00 -0.10 0.40 -0.87 0.00 0.00 176.83 176.26 2kgl h ILE 66 N 0.00 0.52 0.00 0.95 2.04 -1.97 0.13 117.51 119.19 2kgl h ILE 66 Ca 0.37 -0.01 -0.07 0.00 1.00 0.00 0.00 64.86 66.16 2kgl h ILE 66 Cb 1.57 0.50 -0.01 0.00 -0.74 0.00 0.00 36.82 38.14 2kgl h ILE 66 CO -0.00 0.00 -0.31 -0.07 0.00 0.00 0.00 178.15 177.77 2kgl h LEU 67 N 0.02 0.00 -2.57 1.44 3.38 -1.47 -2.68 115.31 113.44 2kgl h LEU 67 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 2kgl h LEU 67 Cb 0.37 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.12 2kgl h LEU 67 CO -0.49 0.31 0.00 0.50 0.09 0.00 0.00 178.44 178.85 2kgl h LYS 68 N 0.00 0.00 -0.80 1.13 3.11 -0.66 -2.22 116.57 117.13 2kgl h LYS 68 Ca -0.00 0.00 0.23 0.00 -2.81 0.00 0.00 60.65 58.07 2kgl h LYS 68 Cb 0.74 0.00 -0.03 0.00 -1.00 0.00 0.00 32.23 31.94 2kgl h LYS 68 CO 0.04 0.00 0.59 0.52 -2.81 0.00 0.00 179.45 177.79 2kgl h MET 69 N 0.00 0.00 -6.77 1.90 2.86 -1.30 -3.43 114.93 108.19 2kgl h MET 69 Ca 0.00 0.00 -0.56 0.00 -2.06 0.00 0.00 59.70 57.08 2kgl h MET 69 Cb 0.02 0.00 -0.30 0.00 0.06 0.00 0.00 31.60 31.38 2kgl h MET 69 CO 0.00 0.00 -0.82 -2.37 1.06 0.00 0.00 176.91 174.78 2kgl n THR 70 N -4.25 -0.24 -2.81 2.22 5.66 -0.83 -2.77 114.28 111.25 2kgl n THR 70 Ca 0.16 -0.12 -0.01 0.00 -3.05 0.00 0.00 64.05 61.03 2kgl n THR 70 Cb 0.88 -0.57 -0.01 0.00 -1.55 0.00 0.00 70.33 69.09 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -3.05 0.00 0.00 175.07 173.19 2kgl n LYS 71 N -3.81 -2.96 0.00 1.09 4.81 -1.26 -4.30 118.16 111.73 2kgl n LYS 71 Ca -0.00 2.45 0.00 0.00 -0.87 0.00 0.00 58.31 59.88 2kgl n LYS 71 Cb 0.46 -4.26 0.00 0.00 0.02 0.00 0.00 35.03 31.25 2kgl n LYS 71 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 2kgl n LYS 72 N 1.09 0.00 0.06 1.64 4.01 -1.11 -4.95 118.16 118.89 2kgl n LYS 72 Ca -0.07 0.19 0.00 0.00 -0.51 0.00 0.00 58.31 57.91 2kgl n LYS 72 Cb 0.21 -1.18 0.00 0.00 -0.51 0.00 0.00 35.03 33.55 2kgl n LYS 72 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2kgl n GLY 73 N -0.68 -1.82 3.26 0.72 0.00 -1.26 -5.01 105.19 100.39 2kgl n GLY 73 Ca 0.00 0.55 -0.13 0.00 0.00 0.00 0.00 46.02 46.43 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 -1.47 0.58 0.85 1.61 2.20 -1.24 0.17 119.74 122.45 2kgl s LYS 74 Ca 0.00 0.11 -0.13 0.00 -0.36 0.00 0.00 55.97 55.59 2kgl s LYS 74 Cb 0.00 0.27 0.21 0.00 -1.51 0.00 0.00 37.83 36.80 2kgl s LYS 74 CO 0.00 -0.13 0.47 -2.37 -0.36 0.00 0.00 175.35 172.96 2kgl n THR 75 N 1.92 0.00 -4.63 3.43 5.66 -0.84 -4.64 114.28 115.18 2kgl n THR 75 Ca -0.18 0.00 -0.28 0.00 -3.05 0.00 0.00 64.05 60.54 2kgl n THR 75 Cb 0.57 -0.54 -0.14 0.00 -1.55 0.00 0.00 70.33 68.67 2kgl n THR 75 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 2kgl s LEU 76 N 0.00 2.23 -0.30 1.09 2.34 -1.26 -4.76 118.68 118.02 2kgl s LEU 76 Ca 0.37 -0.64 -0.09 0.00 0.06 0.00 0.00 54.13 53.83 2kgl s LEU 76 Cb -0.06 -1.16 0.14 0.00 -0.56 0.00 0.00 46.19 44.54 2kgl s LEU 76 CO 0.31 0.19 0.64 0.00 -1.06 0.00 0.00 176.35 176.43 2kgl s MET 77 N -1.56 0.58 -0.21 1.48 0.23 -1.21 -3.28 119.30 115.32 2kgl s MET 77 Ca 0.11 1.40 -0.18 0.00 -1.03 0.00 0.00 55.69 55.99 2kgl s MET 77 Cb -0.10 0.84 0.06 0.00 -1.53 0.00 0.00 34.83 34.09 2kgl s MET 77 CO 0.03 -0.26 0.55 -1.64 -2.03 0.00 0.00 175.02 171.67 2kgl s MET 78 N 2.89 0.62 -0.10 3.16 -1.94 -1.15 -0.39 119.30 122.40 2kgl s MET 78 Ca -0.02 0.80 -0.03 0.00 -1.71 0.00 0.00 55.69 54.72 2kgl s MET 78 Cb -0.12 0.27 0.05 0.00 2.01 0.00 0.00 34.83 37.03 2kgl s MET 78 CO -0.19 -0.09 0.14 -0.06 -0.01 0.00 0.00 175.02 174.81 2kgl s PHE 79 N 0.50 -0.11 -0.07 -0.03 0.08 0.64 -3.08 117.98 115.91 2kgl s PHE 79 Ca -0.02 0.41 -0.11 0.00 0.12 0.00 0.00 56.93 57.33 2kgl s PHE 79 Cb -0.04 -0.36 0.02 0.00 -0.57 0.00 0.00 43.02 42.07 2kgl s PHE 79 CO -0.02 -0.31 0.28 0.54 -0.10 0.00 0.00 175.22 175.60 2kgl s VAL 80 N 2.26 0.02 -0.40 -0.44 0.11 -1.15 -0.10 120.40 120.71 2kgl s VAL 80 Ca 0.04 -0.20 0.07 0.00 -2.93 0.00 0.00 61.98 58.96 2kgl s VAL 80 Cb -0.13 -0.47 0.24 0.00 -1.53 0.00 0.00 36.38 34.49 2kgl s VAL 80 CO -0.06 -0.11 0.49 1.07 -3.33 0.00 0.00 175.10 173.15 2kgl n THR 81 N 2.32 -0.78 -3.50 5.04 5.66 0.74 -1.81 114.28 121.94 2kgl n THR 81 Ca -0.16 -3.91 -0.12 0.00 -3.05 0.00 0.00 64.05 56.81 2kgl n THR 81 Cb 0.57 -1.90 -0.04 0.00 -1.55 0.00 0.00 70.33 67.41 2kgl n THR 81 CO 0.00 0.00 0.00 0.54 -3.05 0.00 0.00 175.07 172.56 2kgl s VAL 82 N -0.96 0.00 -0.18 1.08 0.11 0.16 -1.64 120.40 118.97 2kgl s VAL 82 Ca 0.35 0.00 -0.29 0.00 -2.93 0.00 0.00 61.98 59.11 2kgl s VAL 82 Cb 0.15 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.96 2kgl s VAL 82 CO -0.13 0.00 1.63 -0.44 -3.33 0.00 0.00 175.10 172.83 2kgl s SER 83 N -1.96 6.43 0.25 3.54 0.01 -1.26 -3.15 113.70 117.57 2kgl s SER 83 Ca -0.01 1.76 0.00 0.00 1.31 0.00 0.00 55.95 59.00 2kgl s SER 83 Cb -0.01 -2.53 0.00 0.00 0.21 0.00 0.00 66.02 63.69 2kgl s SER 83 CO -0.03 -1.19 0.00 0.61 0.41 0.00 0.00 173.24 173.03 2kgl n GLY 84 N 4.55 -3.14 3.65 3.44 0.00 -1.26 -4.57 105.19 107.85 2kgl n GLY 84 Ca 0.19 -1.20 -0.02 0.00 0.00 0.00 0.00 46.02 44.99 2kgl n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kgl s ASN 85 N -4.63 -0.01 -1.11 1.61 3.84 -1.26 -4.61 114.94 108.77 2kgl s ASN 85 Ca 0.00 0.01 -0.23 0.00 0.21 0.00 0.00 52.86 52.85 2kgl s ASN 85 Cb 0.00 0.01 -0.08 0.00 -0.55 0.00 0.00 41.25 40.63 2kgl s ASN 85 CO 0.00 -0.00 1.94 -2.16 -2.79 0.00 0.00 177.10 174.09 2kgl s PRO 86 N -0.02 2.51 0.00 0.43 0.04 -1.26 -4.20 135.00 132.49 2kgl s PRO 86 Ca 0.08 -0.93 0.00 0.00 0.04 0.00 0.00 61.00 60.19 2kgl s PRO 86 Cb -0.05 -5.19 0.00 0.00 0.04 0.00 0.00 34.50 29.30 2kgl s PRO 86 CO -0.17 -3.83 0.69 2.41 0.04 0.00 0.00 177.00 176.14 2kgl n THR 87 N 7.83 0.00 -0.02 1.26 -1.04 -1.26 -4.95 114.28 116.10 2kgl n THR 87 Ca 0.44 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.45 2kgl n THR 87 Cb 0.47 0.19 0.31 0.00 -1.82 0.00 0.00 70.33 69.47 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 0.57 -0.23 -2.82 9.09 -1.91 -0.58 114.58 118.70 2kgl h GLU 88 Ca -0.21 -0.10 -0.15 0.00 0.05 0.00 0.00 59.36 58.94 2kgl h GLU 88 Cb 1.16 -0.09 0.00 0.00 -1.65 0.00 0.00 28.75 28.16 2kgl h GLU 88 CO -0.11 0.54 -0.45 1.57 0.05 0.00 0.00 179.01 180.61 2kgl h LYS 89 N 0.55 0.72 -0.47 1.06 2.10 -1.96 -3.15 116.57 115.42 2kgl h LYS 89 Ca 0.13 -0.46 -0.08 0.00 -2.00 0.00 0.00 60.65 58.23 2kgl h LYS 89 Cb 0.24 0.06 -0.02 0.00 -0.90 0.00 0.00 32.23 31.62 2kgl h LYS 89 CO -0.00 1.08 -0.04 0.93 -2.00 0.00 0.00 179.45 179.42 2kgl h GLU 90 N 0.44 0.85 -0.67 0.07 5.08 -1.87 -3.06 114.58 115.42 2kgl h GLU 90 Ca 0.01 -0.29 0.13 0.00 -1.00 0.00 0.00 59.36 58.21 2kgl h GLU 90 Cb 1.06 -0.07 -0.09 0.00 0.50 0.00 0.00 28.75 30.15 2kgl h GLU 90 CO 0.10 0.92 0.18 1.79 -1.00 0.00 0.00 179.01 181.01 2kgl h THR 91 N 0.70 0.61 0.00 1.13 1.35 -1.13 0.30 112.91 115.88 2kgl h THR 91 Ca 0.13 -0.11 -0.03 0.00 -0.55 0.00 0.00 66.41 65.85 2kgl h THR 91 Cb 0.56 0.28 -0.00 0.00 -1.73 0.00 0.00 68.15 67.25 2kgl h THR 91 CO 0.03 0.06 -0.16 -0.33 -0.25 0.00 0.00 175.52 174.87 2kgl h GLU 92 N 0.31 0.00 0.00 4.72 4.39 -1.50 -1.77 114.58 120.73 2kgl h GLU 92 Ca 0.36 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.97 2kgl h GLU 92 Cb 0.56 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2kgl h GLU 92 CO -0.43 0.16 -0.46 0.93 -1.16 0.00 0.00 179.01 178.05 2kgl h GLU 93 N 0.00 0.00 -0.98 2.33 3.07 -0.42 -3.27 114.58 115.30 2kgl h GLU 93 Ca -0.00 0.00 0.28 0.00 -0.50 0.00 0.00 59.36 59.14 2kgl h GLU 93 Cb 0.31 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.18 2kgl h GLU 93 CO 0.02 0.41 0.70 0.82 -1.40 0.00 0.00 179.01 179.57 2kgl h ILE 94 N 0.00 0.51 -0.91 3.13 2.04 -0.02 0.22 117.51 122.48 2kgl h ILE 94 Ca -0.01 -0.01 0.00 0.00 1.00 0.00 0.00 64.86 65.84 2kgl h ILE 94 Cb 1.33 0.48 -0.04 0.00 -0.74 0.00 0.00 36.82 37.85 2kgl h ILE 94 CO 0.05 0.01 0.58 0.00 0.00 0.00 0.00 178.15 178.79 2kgl h THR 95 N 0.03 1.24 -0.20 -0.27 1.03 -1.69 0.30 112.91 113.35 2kgl h THR 95 Ca 0.47 -0.47 -0.07 0.00 -0.01 0.00 0.00 66.41 66.32 2kgl h THR 95 Cb 1.84 -0.08 -0.00 0.00 -1.07 0.00 0.00 68.15 68.83 2kgl h THR 95 CO -0.02 0.24 -0.16 -1.28 -0.01 0.00 0.00 175.52 174.29 2kgl h SER 96 N 1.25 0.49 0.45 0.00 0.87 -0.80 -3.08 113.55 112.73 2kgl h SER 96 Ca 0.33 -0.46 -0.09 0.00 -1.23 0.00 0.00 61.79 60.34 2kgl h SER 96 Cb -0.11 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 61.70 2kgl h SER 96 CO -0.07 0.85 -0.45 -0.07 -0.53 0.00 0.00 176.83 176.56 2kgl h LEU 97 N 0.15 0.00 -1.01 2.23 3.38 -1.30 -2.97 115.31 115.78 2kgl h LEU 97 Ca 0.04 0.00 0.06 0.00 0.09 0.00 0.00 57.88 58.07 2kgl h LEU 97 Cb 0.69 0.00 -0.07 0.00 0.09 0.00 0.00 40.66 41.37 2kgl h LEU 97 CO 0.04 0.45 0.65 -0.25 0.09 0.00 0.00 178.44 179.42 2kgl h TRP 98 N 0.00 1.21 -0.77 1.13 2.91 -0.32 -1.92 115.95 118.19 2kgl h TRP 98 Ca -0.00 0.03 0.15 0.00 1.13 0.00 0.00 58.89 60.20 2kgl h TRP 98 Cb 0.80 -0.40 -0.10 0.00 -0.51 0.00 0.00 29.16 28.95 2kgl h TRP 98 CO 0.00 0.63 0.30 0.37 -1.03 0.00 0.00 178.44 178.71 2kgl h GLN 99 N 1.19 0.41 0.22 2.65 5.75 -1.50 0.14 115.11 123.97 2kgl h GLN 99 Ca 0.43 -0.02 -0.01 0.00 -0.15 0.00 0.00 58.65 58.90 2kgl h GLN 99 Cb 0.16 -0.09 0.00 0.00 1.07 0.00 0.00 27.48 28.62 2kgl h GLN 99 CO -0.17 0.27 -0.11 0.78 -2.65 0.00 0.00 178.83 176.96 2kgl h GLY 100 N 0.42 -0.31 0.21 2.39 0.00 -1.51 -3.18 103.07 101.09 2kgl h GLY 100 Ca 0.43 0.11 0.12 0.00 0.00 0.00 0.00 47.33 47.99 2kgl h GLY 100 CO -0.43 -0.11 0.21 0.23 0.00 0.00 0.00 176.54 176.44 2kgl h SER 101 N -0.80 0.15 -0.93 0.19 0.87 -1.07 0.58 113.55 112.55 2kgl h SER 101 Ca -0.03 0.10 0.20 0.00 -1.23 0.00 0.00 61.79 60.84 2kgl h SER 101 Cb 0.51 0.11 -0.07 0.00 -0.44 0.00 0.00 62.40 62.51 2kgl h SER 101 CO 0.05 0.07 0.61 0.25 -0.53 0.00 0.00 176.83 177.28 2kgl h LEU 102 N 0.36 0.48 -1.99 2.23 6.46 -0.78 0.24 115.31 122.31 2kgl h LEU 102 Ca 0.35 0.05 0.18 0.00 -0.12 0.00 0.00 57.88 58.35 2kgl h LEU 102 Cb 0.51 -0.03 -0.03 0.00 -0.73 0.00 0.00 40.66 40.38 2kgl h LEU 102 CO -0.39 0.18 0.45 0.15 -0.62 0.00 0.00 178.44 178.22 2kgl h PHE 103 N 0.48 0.01 -0.03 1.25 3.04 -0.85 0.24 116.94 121.08 2kgl h PHE 103 Ca 0.50 0.00 0.01 0.00 3.98 0.00 0.00 57.97 62.45 2kgl h PHE 103 Cb 1.14 -0.00 -0.00 0.00 2.56 0.00 0.00 35.95 39.64 2kgl h PHE 103 CO -0.00 0.00 0.08 -0.91 -2.02 0.00 0.00 178.31 175.46 2kgl h ASN 104 N 0.01 0.00 -0.39 0.41 4.21 -0.59 -3.45 115.58 115.78 2kgl h ASN 104 Ca 0.30 0.00 -0.17 0.00 1.21 0.00 0.00 56.30 57.64 2kgl h ASN 104 Cb 1.18 0.00 -0.07 0.00 -1.12 0.00 0.00 38.32 38.32 2kgl h ASN 104 CO -0.01 0.00 -0.15 0.00 -1.29 0.00 0.00 177.43 175.98 2kgl n ALA 105 N -2.14 -0.12 -1.95 -0.83 0.00 0.85 -2.73 120.51 113.58 2kgl n ALA 105 Ca -0.02 0.13 0.00 0.00 0.00 0.00 0.00 53.44 53.55 2kgl n ALA 105 Cb 0.15 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.15 2kgl n ALA 105 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2kgl n ASN 106 N -0.73 0.00 -4.62 0.00 4.13 -1.26 -3.39 115.26 109.39 2kgl n ASN 106 Ca -0.08 -1.44 -0.35 0.00 1.68 0.00 0.00 54.58 54.39 2kgl n ASN 106 Cb 0.47 -0.09 0.10 0.00 -1.54 0.00 0.00 39.78 38.72 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kgl n TYR 107 N 0.00 0.67 -4.30 3.10 4.11 -1.26 -2.43 117.16 117.05 2kgl n TYR 107 Ca 0.00 0.39 -0.24 0.00 -0.00 0.00 0.00 57.90 58.04 2kgl n TYR 107 Cb 0.59 -2.07 -0.17 0.00 -0.00 0.00 0.00 39.34 37.69 2kgl n TYR 107 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 2kgl s ASP 108 N -1.74 1.76 -0.05 9.48 -1.08 -0.61 -4.76 116.67 119.67 2kgl s ASP 108 Ca 0.72 -0.27 -0.09 0.00 -0.52 0.00 0.00 52.55 52.40 2kgl s ASP 108 Cb -0.33 -0.76 0.02 0.00 -1.46 0.00 0.00 42.92 40.38 2kgl s ASP 108 CO 0.51 -0.03 0.21 0.68 0.52 0.00 0.00 175.17 177.07 2kgl s VAL 109 N 1.04 0.03 -0.07 1.11 -7.23 -1.26 -2.37 120.40 111.64 2kgl s VAL 109 Ca -0.08 -0.23 -0.15 0.00 -1.81 0.00 0.00 61.98 59.71 2kgl s VAL 109 Cb -0.15 -0.38 0.03 0.00 0.56 0.00 0.00 36.38 36.44 2kgl s VAL 109 CO -0.01 -0.13 0.36 0.00 -0.31 0.00 0.00 175.10 175.02 2kgl s GLN 110 N -0.44 0.59 -0.03 4.82 1.03 -0.88 -4.70 119.66 120.05 2kgl s GLN 110 Ca -0.05 0.15 0.08 0.00 0.04 0.00 0.00 55.36 55.58 2kgl s GLN 110 Cb -0.04 0.27 -0.02 0.00 0.03 0.00 0.00 33.01 33.26 2kgl s GLN 110 CO 0.01 -0.13 -0.26 -0.98 -2.54 0.00 0.00 175.29 171.39 2kgl s ARG 111 N -0.64 2.20 -0.08 9.60 1.70 -1.26 -3.12 118.95 127.35 2kgl s ARG 111 Ca -0.07 -0.92 0.01 0.00 -0.47 0.00 0.00 55.73 54.27 2kgl s ARG 111 Cb -0.04 -2.07 0.02 0.00 -0.57 0.00 0.00 34.95 32.30 2kgl s ARG 111 CO 0.03 0.53 -0.09 0.12 -1.08 0.00 0.00 175.30 174.80 2kgl s PHE 112 N -0.53 1.37 -0.12 5.89 5.36 -0.82 -4.59 117.98 124.54 2kgl s PHE 112 Ca 0.07 -0.57 -0.01 0.00 -0.96 0.00 0.00 56.93 55.47 2kgl s PHE 112 Cb -0.11 -1.08 0.03 0.00 -0.34 0.00 0.00 43.02 41.52 2kgl s PHE 112 CO -0.00 -0.36 -0.07 0.96 -1.46 0.00 0.00 175.22 174.29 2kgl s ILE 113 N 1.11 1.00 -0.06 3.12 -4.36 -1.26 -3.12 121.20 117.63 2kgl s ILE 113 Ca -0.06 -0.32 -0.11 0.00 -0.26 0.00 0.00 60.65 59.90 2kgl s ILE 113 Cb -0.14 -1.05 0.02 0.00 1.25 0.00 0.00 42.46 42.54 2kgl s ILE 113 CO -0.01 0.32 0.27 -0.69 0.24 0.00 0.00 174.94 175.07 2kgl s VAL 114 N 1.71 0.03 0.58 8.37 1.01 -1.01 -5.02 120.40 126.07 2kgl s VAL 114 Ca 0.04 -0.27 0.29 0.00 0.00 0.00 0.00 61.98 62.04 2kgl s VAL 114 Cb -0.13 -0.48 0.38 0.00 0.00 0.00 0.00 36.38 36.15 2kgl s VAL 114 CO -0.08 -0.15 1.93 1.23 0.00 0.00 0.00 175.10 178.03 2kgl h GLY 115 N 4.83 0.00 0.32 4.51 0.00 -2.05 -2.21 103.07 108.46 2kgl h GLY 115 Ca -0.28 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 2kgl h GLY 115 CO 0.36 0.00 -0.11 1.76 0.00 0.00 0.00 176.54 178.56 2kgl h SER 116 N 0.00 -0.25 -2.06 0.19 0.02 -2.03 -3.50 113.55 105.92 2kgl h SER 116 Ca 0.21 -0.20 0.01 0.00 -0.84 0.00 0.00 61.79 60.96 2kgl h SER 116 Cb 1.11 0.07 0.00 0.00 0.14 0.00 0.00 62.40 63.71 2kgl h SER 116 CO -0.00 0.27 0.20 -0.90 -1.14 0.00 0.00 176.83 175.26 2kgl n ASP 117 N -4.97 -1.27 -4.10 3.07 5.68 -0.83 -4.57 116.55 109.56 2kgl n ASP 117 Ca -0.06 -1.84 -0.22 0.00 -0.50 0.00 0.00 54.79 52.17 2kgl n ASP 117 Cb 0.22 2.11 -0.15 0.00 -1.14 0.00 0.00 41.12 42.16 2kgl n ASP 117 CO 0.00 0.00 0.00 -0.13 -1.33 0.00 0.00 177.20 175.74 2kgl s ARG 118 N -2.05 1.07 -0.05 0.11 1.81 -1.19 -2.41 118.95 116.25 2kgl s ARG 118 Ca 0.10 -0.50 0.00 0.00 -1.72 0.00 0.00 55.73 53.61 2kgl s ARG 118 Cb -0.03 -1.04 0.03 0.00 -0.45 0.00 0.00 34.95 33.46 2kgl s ARG 118 CO 0.06 0.28 -0.01 0.00 -0.68 0.00 0.00 175.30 174.95 2kgl s ALA 119 N -0.35 0.55 -0.04 2.13 0.00 -1.18 -0.66 121.76 122.19 2kgl s ALA 119 Ca 0.05 0.01 0.03 0.00 0.00 0.00 0.00 51.96 52.04 2kgl s ALA 119 Cb -0.05 -0.48 0.01 0.00 0.00 0.00 0.00 23.12 22.60 2kgl s ALA 119 CO -0.00 -0.16 -0.11 -1.50 0.00 0.00 0.00 175.76 173.98 2kgl s ILE 120 N 1.26 1.02 -0.08 0.00 1.10 -0.75 -1.95 121.20 121.81 2kgl s ILE 120 Ca -0.06 -0.46 -0.00 0.00 -0.51 0.00 0.00 60.65 59.62 2kgl s ILE 120 Cb -0.13 -0.91 0.02 0.00 0.15 0.00 0.00 42.46 41.58 2kgl s ILE 120 CO -0.02 0.32 -0.04 0.12 -2.11 0.00 0.00 174.94 173.20 2kgl s PHE 121 N 0.38 1.00 -0.17 3.50 2.19 -1.18 -2.91 117.98 120.78 2kgl s PHE 121 Ca -0.08 -0.37 -0.06 0.00 0.33 0.00 0.00 56.93 56.74 2kgl s PHE 121 Cb -0.12 -0.91 0.08 0.00 -1.31 0.00 0.00 43.02 40.76 2kgl s PHE 121 CO 0.02 -0.34 0.36 0.00 1.83 0.00 0.00 175.22 177.09 2kgl s MET 122 N 1.48 0.26 0.07 10.12 0.23 -1.18 -2.07 119.30 128.22 2kgl s MET 122 Ca -0.01 0.93 0.05 0.00 -1.03 0.00 0.00 55.69 55.62 2kgl s MET 122 Cb -0.13 0.20 -0.03 0.00 -1.53 0.00 0.00 34.83 33.34 2kgl s MET 122 CO -0.04 -0.27 -0.13 -1.17 -2.03 0.00 0.00 175.02 171.39 2kgl s LEU 123 N 2.54 2.28 0.51 0.18 0.20 -1.00 -2.92 118.68 120.47 2kgl s LEU 123 Ca -0.01 -0.61 0.29 0.00 0.69 0.00 0.00 54.13 54.49 2kgl s LEU 123 Cb -0.12 -0.45 1.39 0.00 -0.43 0.00 0.00 46.19 46.58 2kgl s LEU 123 CO -0.11 -0.10 1.87 0.08 -0.29 0.00 0.00 176.35 177.80 2kgl h ARG 124 N 4.29 0.09 0.00 1.98 0.11 -1.87 -3.14 114.38 115.85 2kgl h ARG 124 Ca -0.40 -0.01 -0.25 0.00 0.10 0.00 0.00 59.98 59.43 2kgl h ARG 124 Cb 1.19 -0.02 0.10 0.00 1.11 0.00 0.00 29.97 32.35 2kgl h ARG 124 CO 0.41 0.06 0.24 -0.25 0.10 0.00 0.00 179.97 180.53 2kgl n ASP 125 N -4.33 0.08 0.00 0.08 8.00 -1.26 -4.19 116.55 114.92 2kgl n ASP 125 Ca 0.19 -1.29 0.00 0.00 0.71 0.00 0.00 54.79 54.40 2kgl n ASP 125 Cb 0.92 -0.58 0.00 0.00 -0.02 0.00 0.00 41.12 41.44 2kgl n ASP 125 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kgl n GLY 126 N -0.01 0.58 0.44 0.44 0.00 -1.02 -1.57 105.19 104.05 2kgl n GLY 126 Ca 0.10 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.38 2kgl n GLY 126 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 127 N 0.00 0.01 -0.62 1.61 0.02 -1.94 0.20 113.55 112.82 2kgl h SER 127 Ca 0.00 0.00 -0.06 0.00 -0.84 0.00 0.00 61.79 60.90 2kgl h SER 127 Cb 0.00 -0.00 -0.03 0.00 0.14 0.00 0.00 62.40 62.51 2kgl h SER 127 CO 0.00 0.00 0.19 0.22 -1.14 0.00 0.00 176.83 176.10 2kgl h TYR 128 N 0.01 1.04 0.00 3.45 5.03 -1.96 -2.44 116.97 122.10 2kgl h TYR 128 Ca 0.39 -0.10 -0.11 0.00 2.58 0.00 0.00 58.73 61.49 2kgl h TYR 128 Cb 1.53 -0.30 -0.02 0.00 1.55 0.00 0.00 36.73 39.50 2kgl h TYR 128 CO -0.00 0.84 -0.51 0.00 -1.32 0.00 0.00 178.16 177.17 2kgl h ALA 129 N 1.23 1.15 -0.31 1.82 0.00 -0.88 -2.94 119.26 119.33 2kgl h ALA 129 Ca 0.21 -0.46 0.02 0.00 0.00 0.00 0.00 54.91 54.68 2kgl h ALA 129 Cb 0.30 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 2kgl h ALA 129 CO -0.01 0.64 0.16 2.35 0.00 0.00 0.00 179.25 182.39 2kgl h TRP 130 N 0.00 0.30 0.67 0.00 2.91 -1.16 0.26 115.95 118.93 2kgl h TRP 130 Ca -0.01 0.01 -0.03 0.00 1.13 0.00 0.00 58.89 59.99 2kgl h TRP 130 Cb 0.91 -0.09 0.01 0.00 -0.51 0.00 0.00 29.16 29.48 2kgl h TRP 130 CO 0.00 0.17 -0.32 0.93 -1.03 0.00 0.00 178.44 178.19 2kgl h GLU 131 N 0.33 -0.87 -0.92 2.65 5.08 -1.50 -3.12 114.58 116.24 2kgl h GLU 131 Ca 0.13 0.06 0.20 0.00 -1.00 0.00 0.00 59.36 58.74 2kgl h GLU 131 Cb 0.03 0.20 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 2kgl h GLU 131 CO -0.08 -0.58 0.60 0.82 -1.00 0.00 0.00 179.01 178.77 2kgl h ILE 132 N -1.21 0.70 0.02 3.13 1.08 -1.51 -1.95 117.51 117.76 2kgl h ILE 132 Ca -0.09 -0.17 0.03 0.00 -0.39 0.00 0.00 64.86 64.24 2kgl h ILE 132 Cb 0.69 0.16 -0.05 0.00 -3.07 0.00 0.00 36.82 34.54 2kgl h ILE 132 CO 0.15 0.09 -0.40 0.50 -0.69 0.00 0.00 178.15 177.80 2kgl h LYS 133 N 0.50 -0.55 -1.00 2.37 3.11 -0.43 0.19 116.57 120.77 2kgl h LYS 133 Ca 0.49 0.04 0.18 0.00 -2.81 0.00 0.00 60.65 58.55 2kgl h LYS 133 Cb 1.08 0.12 -0.10 0.00 -1.00 0.00 0.00 32.23 32.34 2kgl h LYS 133 CO -0.21 -0.37 0.62 -0.44 -2.81 0.00 0.00 179.45 176.24 2kgl h ASP 134 N -0.57 0.78 0.34 4.20 3.32 -1.30 0.21 116.42 123.40 2kgl h ASP 134 Ca 0.05 0.09 -0.12 0.00 0.02 0.00 0.00 57.03 57.06 2kgl h ASP 134 Cb 0.64 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.12 2kgl h ASP 134 CO -0.30 0.29 -0.49 0.15 -1.72 0.00 0.00 179.24 177.17 2kgl h PHE 135 N 0.77 0.21 0.52 4.55 3.57 -1.11 -2.84 116.94 122.61 2kgl h PHE 135 Ca 0.56 -0.07 -0.03 0.00 3.53 0.00 0.00 57.97 61.97 2kgl h PHE 135 Cb 0.87 -0.04 0.01 0.00 2.79 0.00 0.00 35.95 39.58 2kgl h PHE 135 CO -0.00 0.64 -0.25 1.25 -2.23 0.00 0.00 178.31 177.71 2kgl h LEU 136 N 0.14 -0.60 -2.00 0.59 7.12 0.24 -3.02 115.31 117.78 2kgl h LEU 136 Ca 0.01 0.02 0.24 0.00 0.13 0.00 0.00 57.88 58.28 2kgl h LEU 136 Cb 0.92 0.15 -0.03 0.00 -0.53 0.00 0.00 40.66 41.17 2kgl h LEU 136 CO 0.07 -0.35 0.60 1.62 -0.13 0.00 0.00 178.44 180.25 2kgl h VAL 137 N -0.86 0.58 -0.73 1.05 3.04 -1.46 0.13 116.25 118.00 2kgl h VAL 137 Ca -0.07 0.00 0.17 0.00 -1.01 0.00 0.00 66.70 65.79 2kgl h VAL 137 Cb 0.54 0.58 -0.04 0.00 -2.01 0.00 0.00 31.29 30.36 2kgl h VAL 137 CO 0.12 0.00 0.50 -1.28 -1.01 0.00 0.00 177.57 175.90 2kgl h SER 138 N 0.00 0.22 0.37 3.17 0.87 -1.36 -1.97 113.55 114.85 2kgl h SER 138 Ca 0.39 0.02 -0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2kgl h SER 138 Cb 1.58 -0.03 0.00 0.00 -0.44 0.00 0.00 62.40 63.52 2kgl h SER 138 CO -0.00 0.11 -0.18 1.56 -0.53 0.00 0.00 176.83 177.79 2kgl h GLN 139 N 0.23 -0.47 -1.03 2.24 1.08 -0.79 -3.34 115.11 113.03 2kgl h GLN 139 Ca 0.36 0.03 -0.35 0.00 -1.45 0.00 0.00 58.65 57.24 2kgl h GLN 139 Cb 1.06 0.11 -0.12 0.00 -0.05 0.00 0.00 27.48 28.47 2kgl h GLN 139 CO -0.08 -0.19 -0.34 -0.25 -0.95 0.00 0.00 178.83 177.03 2kgl n ASP 140 N -5.21 -5.08 -2.66 1.46 8.00 -0.74 -4.77 116.55 107.55 2kgl n ASP 140 Ca -0.10 0.37 -0.03 0.00 0.71 0.00 0.00 54.79 55.74 2kgl n ASP 140 Cb 0.27 -4.11 0.06 0.00 -0.02 0.00 0.00 41.12 37.31 2kgl n ASP 140 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 2kgl n ARG 141 N -2.52 0.18 -3.82 -1.24 0.63 -0.65 -4.80 116.66 104.44 2kgl n ARG 141 Ca -0.18 -0.73 -0.12 0.00 -0.92 0.00 0.00 57.85 55.90 2kgl n ARG 141 Cb 0.58 -0.10 -0.11 0.00 0.45 0.00 0.00 32.46 33.28 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 -0.70 1.22 -0.16 0.00 0.00 -1.26 -0.19 121.76 120.67 2kgl s ALA 143 Ca -0.08 -0.43 -0.11 0.00 0.00 0.00 0.00 51.96 51.34 2kgl s ALA 143 Cb -0.04 -0.70 0.05 0.00 0.00 0.00 0.00 23.12 22.42 2kgl s ALA 143 CO 0.01 -0.14 0.39 -1.21 0.00 0.00 0.00 175.76 174.82 2kgl s GLU 144 N 1.16 0.41 -0.14 0.00 2.02 0.86 -3.41 118.70 119.59 2kgl s GLU 144 Ca -0.05 0.66 -0.10 0.00 0.02 0.00 0.00 54.97 55.50 2kgl s GLU 144 Cb -0.14 0.08 0.05 0.00 0.10 0.00 0.00 34.13 34.22 2kgl s GLU 144 CO -0.02 -0.11 0.36 0.14 0.02 0.00 0.00 175.26 175.65 2kgl s VAL 145 N 0.84 -0.02 -0.13 2.63 -7.23 -1.26 -0.26 120.40 114.97 2kgl s VAL 145 Ca -0.05 0.06 -0.00 0.00 -1.81 0.00 0.00 61.98 60.18 2kgl s VAL 145 Cb -0.06 -0.53 0.03 0.00 0.56 0.00 0.00 36.38 36.38 2kgl s VAL 145 CO -0.06 0.03 -0.09 0.42 -0.31 0.00 0.00 175.10 175.09 2kgl s THR 146 N 0.88 1.16 -0.12 5.32 -4.23 0.47 -4.76 115.64 114.37 2kgl s THR 146 Ca -0.06 -0.41 -0.04 0.00 -1.18 0.00 0.00 61.69 60.00 2kgl s THR 146 Cb -0.06 -1.17 0.06 0.00 1.34 0.00 0.00 72.50 72.66 2kgl s THR 146 CO -0.07 0.36 0.23 -0.22 -0.54 0.00 0.00 174.62 174.38 2kgl s LEU 147 N 1.65 -0.23 0.09 4.79 0.20 -1.26 -3.36 118.68 120.56 2kgl s LEU 147 Ca 0.04 0.50 0.01 0.00 0.69 0.00 0.00 54.13 55.38 2kgl s LEU 147 Cb -0.13 0.56 -0.04 0.00 -0.43 0.00 0.00 46.19 46.15 2kgl s LEU 147 CO -0.09 -0.24 -0.06 -1.61 -0.29 0.00 0.00 176.35 174.06 2kgl s GLU 148 N 2.38 0.80 -0.63 1.98 0.41 -1.26 -5.05 118.70 117.34 2kgl s GLU 148 Ca 0.02 -1.31 -0.01 0.00 -0.41 0.00 0.00 54.97 53.26 2kgl s GLU 148 Cb -0.12 -0.15 0.46 0.00 -1.78 0.00 0.00 34.13 32.54 2kgl s GLU 148 CO -0.08 -0.03 1.96 0.41 -0.49 0.00 0.00 175.26 177.03 2kgl n GLY 149 N 0.00 5.86 0.00 -1.39 0.00 -1.26 -4.45 105.19 103.96 2kgl n GLY 149 Ca -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 46.02 43.61 2kgl n GLY 149 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kgl n GLN 150 N -0.91 -1.03 -0.11 1.61 7.27 -1.26 -4.79 117.38 118.16 2kgl n GLN 150 Ca 0.61 0.00 0.03 0.00 0.07 0.00 0.00 57.00 57.71 2kgl n GLN 150 Cb 0.73 0.00 0.09 0.00 2.41 0.00 0.00 30.24 33.47 2kgl n GLN 150 CO 0.00 0.00 0.00 -1.33 0.07 0.00 0.00 177.06 175.80 2kgl n MET 151 N -1.37 2.89 -3.65 3.69 2.81 -0.82 -3.61 117.12 117.06 2kgl n MET 151 Ca 0.00 -1.85 -0.36 0.00 -1.81 0.00 0.00 57.70 53.68 2kgl n MET 151 Cb 0.00 -1.18 -0.07 0.00 -0.71 0.00 0.00 33.22 31.26 2kgl n MET 151 CO 0.00 0.00 0.00 0.71 1.51 0.00 0.00 175.97 178.19 2kgl s TYR 152 N -1.10 3.84 -0.25 2.03 1.51 0.13 -4.65 117.35 118.85 2kgl s TYR 152 Ca 0.14 -3.01 0.28 0.00 -1.01 0.00 0.00 57.07 53.47 2kgl s TYR 152 Cb 0.08 -3.22 1.15 0.00 -0.11 0.00 0.00 41.96 39.85 2kgl s TYR 152 CO 0.09 -0.74 1.82 -1.00 -1.11 0.00 0.00 175.55 174.60 2kgl h PRO 153 N 6.09 0.00 0.00 -1.71 0.13 -1.71 -2.23 132.00 132.57 2kgl h PRO 153 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 2kgl h PRO 153 Cb 0.82 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.95 2kgl h PRO 153 CO 0.84 0.00 0.00 0.41 -0.23 0.00 0.00 178.00 179.02 2kgl n GLY 154 N -0.02 0.63 0.19 1.56 0.00 -1.26 -3.20 105.19 103.09 2kgl n GLY 154 Ca 0.01 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.00 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 3.71 0.27 0.00 1.61 5.09 -1.90 -3.36 116.57 121.99 2kgl h LYS 155 Ca 0.00 -0.15 0.00 0.00 0.09 0.00 0.00 60.65 60.59 2kgl h LYS 155 Cb 0.00 0.01 0.00 0.00 0.10 0.00 0.00 32.23 32.34 2kgl h LYS 155 CO 0.00 0.70 0.00 0.41 -2.09 0.00 0.00 179.45 178.47 2kgl n GLY 156 N 0.02 0.00 5.00 0.07 0.00 -1.26 -4.92 105.19 104.09 2kgl n GLY 156 Ca -0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.00 2kgl n GLY 156 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kgl n GLY 157 N 0.00 1.72 2.92 -0.02 0.00 -1.26 -4.36 105.19 104.19 2kgl n GLY 157 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.01 2kgl n GLY 157 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kgl s GLY 158 N 0.00 -1.46 -0.07 -0.02 0.00 -1.26 -4.54 107.32 99.96 2kgl s GLY 158 Ca 0.00 0.67 -0.02 0.00 0.00 0.00 0.00 44.72 45.37 2kgl s GLY 158 CO 0.00 4.02 -0.04 0.23 0.00 0.00 0.00 173.10 177.31 2kgl h SER 159 N 5.85 0.00 -4.68 1.64 0.87 -1.90 -3.50 113.55 111.83 2kgl h SER 159 Ca 0.01 0.00 0.01 0.00 -1.23 0.00 0.00 61.79 60.57 2kgl h SER 159 Cb 1.20 0.00 -0.08 0.00 -0.44 0.00 0.00 62.40 63.08 2kgl h SER 159 CO -0.01 0.38 -1.16 1.17 -0.53 0.00 0.00 176.83 176.68 2kgl n LYS 160 N -3.81 -3.52 -0.05 2.24 4.81 -1.26 -4.96 118.16 111.60 2kgl n LYS 160 Ca -0.02 2.78 -0.07 0.00 -0.87 0.00 0.00 58.31 60.14 2kgl n LYS 160 Cb 0.06 -4.47 -0.05 0.00 0.02 0.00 0.00 35.03 30.58 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 1.13 0.86 -3.25 1.64 -0.58 -1.26 -4.98 120.64 114.20 2kgl n GLU 161 Ca -0.24 0.05 -0.14 0.00 -0.42 0.00 0.00 57.16 56.41 2kgl n GLU 161 Cb 0.37 -1.21 0.01 0.00 -0.57 0.00 0.00 31.44 30.03 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 -2.69 -1.74 -3.89 3.49 3.00 -1.26 -4.98 118.16 110.10 2kgl n LYS 162 Ca -0.18 1.48 -0.35 0.00 -0.00 0.00 0.00 58.31 59.26 2kgl n LYS 162 Cb 0.72 -4.35 -0.14 0.00 0.00 0.00 0.00 35.03 31.26 2kgl n LYS 162 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.40 178.61 2kgl s ASN 163 N -2.65 4.41 -0.26 3.14 2.47 -1.26 -5.08 114.94 115.71 2kgl s ASN 163 Ca 0.13 -0.38 -0.20 0.00 0.42 0.00 0.00 52.86 52.82 2kgl s ASN 163 Cb -0.02 -1.76 -0.02 0.00 -1.45 0.00 0.00 41.25 37.99 2kgl s ASN 163 CO 0.81 -0.03 0.61 -0.75 -3.72 0.00 0.00 177.10 174.02 2kgl s LYS 164 N 1.49 4.10 -0.15 0.43 2.20 -1.26 -4.80 119.74 121.75 2kgl s LYS 164 Ca 0.06 0.51 -0.09 0.00 -0.36 0.00 0.00 55.97 56.08 2kgl s LYS 164 Cb -0.14 -3.65 0.05 0.00 -1.51 0.00 0.00 37.83 32.58 2kgl s LYS 164 CO -0.02 -0.40 0.36 0.99 -0.36 0.00 0.00 175.35 175.92 2kgl s THR 165 N 2.47 -0.02 -0.03 3.43 2.01 -1.26 -5.07 115.64 117.17 2kgl s THR 165 Ca 0.25 0.09 -0.20 0.00 0.31 0.00 0.00 61.69 62.14 2kgl s THR 165 Cb -0.16 -0.54 -0.12 0.00 0.01 0.00 0.00 72.50 71.69 2kgl s THR 165 CO 0.09 0.04 0.85 0.11 -0.69 0.00 0.00 174.62 175.01 2kgl h LYS 166 N 6.85 -0.48 -0.28 4.92 6.56 -2.05 -3.15 116.57 128.94 2kgl h LYS 166 Ca -0.36 0.03 0.00 0.00 -1.06 0.00 0.00 60.65 59.27 2kgl h LYS 166 Cb 1.18 0.11 0.00 0.00 -0.57 0.00 0.00 32.23 32.95 2kgl h LYS 166 CO 0.31 -0.20 0.00 -0.35 -2.06 0.00 0.00 179.45 177.15 2kgl n PRO 167 N -5.12 0.49 -0.05 3.15 -0.04 -1.26 -3.54 135.00 128.63 2kgl n PRO 167 Ca -0.08 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.38 2kgl n PRO 167 Cb 0.26 -1.14 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2kgl n PRO 167 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 2kgl h GLU 168 N 0.30 0.00 -0.96 0.54 4.57 -1.97 -3.13 114.58 113.93 2kgl h GLU 168 Ca 0.00 0.00 0.04 0.00 -1.18 0.00 0.00 59.36 58.22 2kgl h GLU 168 Cb 0.14 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 28.67 2kgl h GLU 168 CO 0.00 0.00 0.62 0.87 -1.18 0.00 0.00 179.01 179.32 2kgl h LYS 169 N -0.98 1.15 0.00 1.92 1.57 -1.75 -0.56 116.57 117.91 2kgl h LYS 169 Ca 0.00 -0.07 -0.01 0.00 -1.87 0.00 0.00 60.65 58.70 2kgl h LYS 169 Cb 0.03 -0.26 -0.00 0.00 0.08 0.00 0.00 32.23 32.07 2kgl h LYS 169 CO 0.00 0.76 -0.07 0.00 -0.57 0.00 0.00 179.45 179.58 2kgl h ALA 170 N 1.40 1.41 -0.20 3.86 0.00 -1.73 0.69 119.26 124.70 2kgl h ALA 170 Ca 0.39 -0.06 -0.04 0.00 0.00 0.00 0.00 54.91 55.20 2kgl h ALA 170 Cb 0.04 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 2kgl h ALA 170 CO -0.13 0.08 -0.04 -0.22 0.00 0.00 0.00 179.25 178.94 2kgl h LYS 171 N 0.00 0.38 0.00 0.00 1.63 -1.03 -3.12 116.57 114.43 2kgl h LYS 171 Ca -0.00 -0.14 -0.21 0.00 -0.85 0.00 0.00 60.65 59.45 2kgl h LYS 171 Cb 0.18 -0.02 -0.03 0.00 -0.60 0.00 0.00 32.23 31.75 2kgl h LYS 171 CO 0.01 0.62 -1.00 -0.22 -3.45 0.00 0.00 179.45 175.40 2kgl h LYS 172 N 0.11 0.00 -0.91 1.90 3.64 -1.39 -3.08 116.57 116.83 2kgl h LYS 172 Ca 0.05 -0.00 0.16 0.00 -1.27 0.00 0.00 60.65 59.59 2kgl h LYS 172 Cb 0.47 0.00 -0.10 0.00 -0.41 0.00 0.00 32.23 32.19 2kgl h LYS 172 CO 0.02 1.00 0.50 0.87 -2.27 0.00 0.00 179.45 179.56 2kgl h LYS 173 N 0.00 0.65 0.00 1.90 1.79 -0.85 -2.95 116.57 117.12 2kgl h LYS 173 Ca -0.01 -0.04 -0.00 0.00 -2.18 0.00 0.00 60.65 58.42 2kgl h LYS 173 Cb 1.77 -0.15 -0.00 0.00 -1.58 0.00 0.00 32.23 32.27 2kgl h LYS 173 CO 0.13 0.43 -0.00 1.49 -1.08 0.00 0.00 179.45 180.42 2kgl h GLU 174 N 0.67 0.00 0.00 3.15 4.57 -1.61 -3.46 114.58 117.90 2kgl h GLU 174 Ca 0.50 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.68 2kgl h GLU 174 Cb 0.74 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.33 2kgl h GLU 174 CO -0.37 0.31 0.00 0.41 -1.18 0.00 0.00 179.01 178.18 2kgl n GLY 175 N 1.73 2.65 0.33 1.92 0.00 -1.11 -3.71 105.19 106.99 2kgl n GLY 175 Ca -0.03 -0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.86 2kgl n GLY 175 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kgl h ASP 176 N 0.00 -0.66 0.44 1.61 3.58 -1.80 0.51 116.42 120.10 2kgl h ASP 176 Ca 0.00 0.00 -0.11 0.00 0.42 0.00 0.00 57.03 57.35 2kgl h ASP 176 Cb 0.00 0.17 -0.01 0.00 1.72 0.00 0.00 39.33 41.21 2kgl h ASP 176 CO 0.00 -0.27 -0.49 1.55 -2.88 0.00 0.00 179.24 177.16 2kgl h PRO 177 N -1.18 0.05 -1.90 0.28 0.13 -1.97 -3.38 132.00 124.04 2kgl h PRO 177 Ca -0.08 -0.03 -0.46 0.00 -0.87 0.00 0.00 66.00 64.56 2kgl h PRO 177 Cb 0.62 0.00 -0.32 0.00 0.13 0.00 0.00 31.00 31.44 2kgl h PRO 177 CO 0.13 0.53 -0.85 1.63 -0.23 0.00 0.00 178.00 179.21 2kgl n LYS 178 N -3.96 0.34 -1.22 0.86 4.76 -1.24 -5.12 118.16 112.57 2kgl n LYS 178 Ca -0.02 -2.83 -0.30 0.00 -2.87 0.00 0.00 58.31 52.29 2kgl n LYS 178 Cb 0.51 -1.57 0.12 0.00 -1.84 0.00 0.00 35.03 32.25 2kgl n LYS 178 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kgl s PRO 179 N 0.18 1.62 -0.70 1.97 0.04 0.17 -4.36 135.00 133.92 2kgl s PRO 179 Ca 0.32 0.95 -0.06 0.00 0.04 0.00 0.00 61.00 62.26 2kgl s PRO 179 Cb 0.05 -1.84 0.01 0.00 0.04 0.00 0.00 34.50 32.76 2kgl s PRO 179 CO -0.16 -2.02 0.65 0.54 0.04 0.00 0.00 177.00 176.05 2kgl n ARG 180 N -3.75 -1.59 0.00 4.56 1.74 -1.26 -4.82 116.66 111.53 2kgl n ARG 180 Ca 0.08 1.35 0.00 0.00 -0.77 0.00 0.00 57.85 58.50 2kgl n ARG 180 Cb 0.54 -4.33 0.00 0.00 -1.02 0.00 0.00 32.46 27.66 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 -1.70 0.00 -0.36 7.54 0.00 -1.26 -4.97 120.51 119.75 2kgl n ALA 181 Ca -0.09 0.00 0.03 0.00 0.00 0.00 0.00 53.44 53.38 2kgl n ALA 181 Cb 0.57 0.00 0.19 0.00 0.00 0.00 0.00 19.45 20.21 2kgl n ALA 181 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 2kgl h SER 182 N 0.00 1.02 0.17 0.00 4.64 -1.79 -1.86 113.55 115.73 2kgl h SER 182 Ca 0.00 0.01 0.01 0.00 -0.47 0.00 0.00 61.79 61.34 2kgl h SER 182 Cb 0.00 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 61.84 2kgl h SER 182 CO 0.00 0.64 -0.53 0.50 -0.87 0.00 0.00 176.83 176.57 2kgl h LYS 183 N 1.15 -0.77 -0.25 4.77 1.63 -1.88 0.85 116.57 122.07 2kgl h LYS 183 Ca 0.44 0.05 0.03 0.00 -0.85 0.00 0.00 60.65 60.32 2kgl h LYS 183 Cb 0.20 0.17 -0.03 0.00 -0.60 0.00 0.00 32.23 31.97 2kgl h LYS 183 CO -0.18 -0.51 0.05 0.93 -3.45 0.00 0.00 179.45 176.30 2kgl h GLU 184 N -0.79 0.15 -1.00 1.90 5.08 -1.91 -1.98 114.58 116.03 2kgl h GLU 184 Ca -0.01 -0.01 0.18 0.00 -1.00 0.00 0.00 59.36 58.51 2kgl h GLU 184 Cb 0.78 -0.03 -0.10 0.00 0.50 0.00 0.00 28.75 29.90 2kgl h GLU 184 CO -0.26 0.10 0.62 -0.44 -1.00 0.00 0.00 179.01 178.03 2kgl h ASP 185 N 0.15 0.79 -0.31 1.42 3.32 -0.95 -0.66 116.42 120.18 2kgl h ASP 185 Ca 0.11 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.31 2kgl h ASP 185 Cb 0.11 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.54 2kgl h ASP 185 CO -0.15 0.31 -0.06 -1.13 -1.72 0.00 0.00 179.24 176.49 2kgl h ASN 186 N 0.79 -0.26 0.21 6.45 -0.73 -0.04 0.33 115.58 122.33 2kgl h ASN 186 Ca 0.56 0.09 0.00 0.00 1.87 0.00 0.00 56.30 58.82 2kgl h ASN 186 Cb 0.84 0.18 0.00 0.00 0.27 0.00 0.00 38.32 39.61 2kgl h ASN 186 CO -0.35 -0.09 -0.00 0.54 -0.37 0.00 0.00 177.43 177.16 2kgl n ARG 187 N -5.24 0.79 -0.00 6.67 1.74 -0.47 -2.84 116.66 117.30 2kgl n ARG 187 Ca 0.00 -0.01 0.06 0.00 -0.77 0.00 0.00 57.85 57.14 2kgl n ARG 187 Cb 0.17 -1.50 0.06 0.00 -1.02 0.00 0.00 32.46 30.17 2kgl n ARG 187 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 2kgl n ALA 188 N -1.10 2.47 -1.90 7.54 0.00 0.41 -4.54 120.51 123.39 2kgl n ALA 188 Ca 0.20 -0.61 0.00 0.00 0.00 0.00 0.00 53.44 53.03 2kgl n ALA 188 Cb 0.16 -0.43 0.00 0.00 0.00 0.00 0.00 19.45 19.18 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 1.70 0.00 0.00 0.00 0.87 -3.44 105.19 105.04 2kgl n GLY 189 Ca 0.08 -1.95 0.00 0.00 0.00 0.00 0.00 46.02 44.14 2kgl n GLY 189 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 2kgl n SER 190 N 0.00 0.00 -2.48 1.61 2.88 -1.26 -0.53 113.62 113.83 2kgl n SER 190 Ca 0.00 -0.87 -0.00 0.00 -1.33 0.00 0.00 58.87 56.67 2kgl n SER 190 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2kgl n SER 190 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 2kgl n ARG 191 N -0.87 -2.81 -3.03 -1.46 5.12 -1.26 -4.10 116.66 108.25 2kgl n ARG 191 Ca 0.00 2.34 -0.22 0.00 -1.93 0.00 0.00 57.85 58.04 2kgl n ARG 191 Cb 0.00 -4.55 0.03 0.00 -1.16 0.00 0.00 32.46 26.78 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 2kgl n ARG 192 N 0.54 -4.64 0.12 5.56 5.12 -1.26 -4.76 116.66 117.35 2kgl n ARG 192 Ca 0.00 0.87 0.00 0.00 -1.93 0.00 0.00 57.85 56.80 2kgl n ARG 192 Cb 0.01 -5.72 0.00 0.00 -1.16 0.00 0.00 32.46 25.59 2kgl n ARG 192 CO 0.00 0.00 0.00 0.39 -1.93 0.00 0.00 177.63 176.09 2kgl n GLU 193 N -3.97 0.00 -3.43 5.56 -0.58 -1.26 -5.08 120.64 111.88 2kgl n GLU 193 Ca -0.11 0.00 -0.16 0.00 -0.42 0.00 0.00 57.16 56.47 2kgl n GLU 193 Cb 0.62 0.00 0.02 0.00 -0.57 0.00 0.00 31.44 31.50 2kgl n GLU 193 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kgl n ASP 194 N -3.16 -6.30 0.00 1.62 8.00 0.31 -4.95 116.55 112.06 2kgl n ASP 194 Ca 0.00 -0.60 0.00 0.00 0.71 0.00 0.00 54.79 54.90 2kgl n ASP 194 Cb 0.00 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.27 2kgl n ASP 194 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99