#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 7.35 0.32 0.00 -4.77 -1.26 -4.74 116.67 113.56 2kgl s ASP 2 Ca 0.00 1.61 -0.11 0.00 -3.30 0.00 0.00 52.55 50.74 2kgl s ASP 2 Cb 0.00 -2.51 -0.08 0.00 -1.09 0.00 0.00 42.92 39.24 2kgl s ASP 2 CO 0.00 0.06 0.68 0.42 0.70 0.00 0.00 175.17 177.03 2kgl s THR 3 N -0.41 4.80 0.16 2.11 -4.23 -1.26 -5.00 115.64 111.81 2kgl s THR 3 Ca 0.40 0.66 -0.09 0.00 -1.18 0.00 0.00 61.69 61.47 2kgl s THR 3 Cb -0.22 -3.65 -0.04 0.00 1.34 0.00 0.00 72.50 69.93 2kgl s THR 3 CO 0.26 -0.25 1.50 1.55 -0.54 0.00 0.00 174.62 177.13 2kgl h PRO 4 N 2.02 0.88 -2.87 3.99 0.13 -2.00 -3.49 132.00 130.67 2kgl h PRO 4 Ca -0.47 -0.46 0.00 0.00 -0.87 0.00 0.00 66.00 64.19 2kgl h PRO 4 Cb 1.18 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.32 2kgl h PRO 4 CO 0.66 1.11 0.00 0.41 -0.23 0.00 0.00 178.00 179.95 2kgl n GLY 5 N 0.11 0.38 0.98 1.56 0.00 -1.26 -5.02 105.19 101.93 2kgl n GLY 5 Ca -0.02 -0.27 -0.04 0.00 0.00 0.00 0.00 46.02 45.69 2kgl n GLY 5 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 2kgl n GLU 6 N -1.21 0.00 -1.44 1.61 1.02 -1.26 -4.93 120.64 114.42 2kgl n GLU 6 Ca 0.00 -1.00 -0.02 0.00 -0.02 0.00 0.00 57.16 56.12 2kgl n GLU 6 Cb 0.48 0.31 0.02 0.00 -0.02 0.00 0.00 31.44 32.23 2kgl n GLU 6 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 2kgl n ALA 7 N 0.08 0.49 -1.77 0.62 0.00 -1.26 -5.15 120.51 113.52 2kgl n ALA 7 Ca -0.17 -0.39 -0.39 0.00 0.00 0.00 0.00 53.44 52.49 2kgl n ALA 7 Cb 0.74 -0.48 -0.02 0.00 0.00 0.00 0.00 19.45 19.69 2kgl n ALA 7 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.50 177.42 2kgl s THR 8 N 0.03 3.08 0.96 0.00 -1.32 -1.26 -5.02 115.64 112.11 2kgl s THR 8 Ca 0.02 0.93 -0.12 0.00 -1.21 0.00 0.00 61.69 61.31 2kgl s THR 8 Cb 0.11 -3.53 0.17 0.00 -1.51 0.00 0.00 72.50 67.74 2kgl s THR 8 CO -0.03 0.10 1.09 -2.16 -2.21 0.00 0.00 174.62 171.41 2kgl s PRO 9 N -2.25 0.74 0.96 7.08 0.04 -1.26 -5.04 135.00 135.27 2kgl s PRO 9 Ca 0.56 0.63 -0.12 0.00 0.04 0.00 0.00 61.00 62.12 2kgl s PRO 9 Cb -0.32 -1.76 0.17 0.00 0.04 0.00 0.00 34.50 32.62 2kgl s PRO 9 CO 0.40 -2.55 1.09 -1.25 0.04 0.00 0.00 177.00 174.74 2kgl s PRO 10 N -4.95 0.74 -1.19 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 32.50 2kgl s PRO 10 CO 0.57 -2.55 1.93 -1.25 0.04 0.00 0.00 177.00 175.75 2kgl s PRO 11 N -4.95 2.49 0.12 0.56 0.04 -1.26 -4.72 135.00 127.27 2kgl s PRO 11 Ca 0.65 -1.19 -0.13 0.00 0.04 0.00 0.00 61.00 60.37 2kgl s PRO 11 Cb -0.18 -5.25 -0.07 0.00 0.04 0.00 0.00 34.50 29.04 2kgl s PRO 11 CO 0.57 -4.00 1.43 0.00 0.04 0.00 0.00 177.00 175.04 2kgl h ARG 12 N 9.69 0.81 0.00 4.56 3.08 -2.01 -3.41 114.38 127.09 2kgl h ARG 12 Ca 0.22 -0.44 -0.06 0.00 0.07 0.00 0.00 59.98 59.77 2kgl h ARG 12 Cb 0.94 0.02 -0.06 0.00 0.08 0.00 0.00 29.97 30.95 2kgl h ARG 12 CO 1.22 1.08 -0.14 1.63 -1.07 0.00 0.00 179.97 182.69 2kgl n LYS 13 N -4.16 0.00 -0.06 0.04 4.01 -1.26 -4.92 118.16 111.81 2kgl n LYS 13 Ca -0.03 -0.46 -0.05 0.00 -0.51 0.00 0.00 58.31 57.26 2kgl n LYS 13 Cb 0.52 0.21 -0.03 0.00 -0.51 0.00 0.00 35.03 35.23 2kgl n LYS 13 CO 0.00 0.00 0.00 0.87 -1.11 0.00 0.00 177.40 177.16 2kgl h LYS 14 N 0.01 0.00 -0.80 1.97 1.57 -1.82 -3.38 116.57 114.12 2kgl h LYS 14 Ca -0.25 0.00 -0.15 0.00 -1.87 0.00 0.00 60.65 58.38 2kgl h LYS 14 Cb 1.19 0.00 -0.09 0.00 0.08 0.00 0.00 32.23 33.41 2kgl h LYS 14 CO -0.13 0.19 0.19 0.36 -0.57 0.00 0.00 179.45 179.49 2kgl n LYS 15 N -4.67 3.22 -0.08 3.15 2.85 -1.26 -4.02 118.16 117.34 2kgl n LYS 15 Ca -0.06 -2.35 -0.09 0.00 -1.05 0.00 0.00 58.31 54.76 2kgl n LYS 15 Cb 0.20 -2.01 -0.05 0.00 -0.65 0.00 0.00 35.03 32.52 2kgl n LYS 15 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 2kgl h ASP 16 N 2.19 0.00 -5.02 -5.58 5.19 -1.89 -3.51 116.42 107.80 2kgl h ASP 16 Ca 0.18 -0.20 0.01 0.00 -0.62 0.00 0.00 57.03 56.40 2kgl h ASP 16 Cb 1.93 0.00 -0.13 0.00 0.18 0.00 0.00 39.33 41.31 2kgl h ASP 16 CO 0.55 0.92 -1.54 -0.38 -3.12 0.00 0.00 179.24 175.66 2kgl n ILE 17 N -4.60-12.73 -1.69 0.35 -0.00 -1.26 -4.51 119.36 94.93 2kgl n ILE 17 Ca -0.12 2.78 -0.50 0.00 -0.00 0.00 0.00 62.75 64.90 2kgl n ILE 17 Cb 0.34 -6.44 -0.05 0.00 -0.00 0.00 0.00 39.64 33.49 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 1.76 1.99 -1.53 0.38 3.00 -1.26 0.12 116.66 121.12 2kgl n ARG 18 Ca -0.40 0.73 -0.18 0.00 -0.01 0.00 0.00 57.85 57.99 2kgl n ARG 18 Cb 0.61 -2.54 -0.08 0.00 0.00 0.00 0.00 32.46 30.46 2kgl n ARG 18 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kgl n ASP 19 N 6.21 -5.58 -4.25 0.55 8.00 -1.25 -1.18 116.55 119.05 2kgl n ASP 19 Ca 0.23 0.45 -0.39 0.00 0.71 0.00 0.00 54.79 55.80 2kgl n ASP 19 Cb 0.26 -4.70 -0.07 0.00 -0.02 0.00 0.00 41.12 36.59 2kgl n ASP 19 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kgl n TYR 20 N -2.34 -1.07 0.00 1.24 0.18 0.12 -3.74 117.16 111.54 2kgl n TYR 20 Ca -0.18 0.62 0.00 0.00 1.88 0.00 0.00 57.90 60.22 2kgl n TYR 20 Cb 0.67 -1.69 0.00 0.00 -0.38 0.00 0.00 39.34 37.94 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 0.29 9.48 5.15 -1.11 -4.95 115.26 121.96 2kgl n ASN 21 Ca 0.11 0.00 0.19 0.00 -0.60 0.00 0.00 54.58 54.27 2kgl n ASN 21 Cb 0.41 0.00 0.99 0.00 -0.53 0.00 0.00 39.78 40.65 2kgl n ASN 21 CO 0.00 0.00 0.00 -0.78 1.40 0.00 0.00 177.26 177.88 2kgl h ASP 22 N 0.00 0.00 -0.63 1.20 3.58 -1.58 -2.36 116.42 116.63 2kgl h ASP 22 Ca 0.00 0.00 0.13 0.00 0.42 0.00 0.00 57.03 57.58 2kgl h ASP 22 Cb 0.00 0.00 -0.10 0.00 1.72 0.00 0.00 39.33 40.95 2kgl h ASP 22 CO 0.00 0.00 0.08 0.00 -2.88 0.00 0.00 179.24 176.44 2kgl h ALA 23 N 1.80 0.70 -0.41 -0.78 0.00 -1.46 -1.34 119.26 117.76 2kgl h ALA 23 Ca 0.03 0.17 0.09 0.00 0.00 0.00 0.00 54.91 55.19 2kgl h ALA 23 Cb 0.28 0.26 -0.08 0.00 0.00 0.00 0.00 17.79 18.24 2kgl h ALA 23 CO -0.00 -0.36 -0.16 -0.44 0.00 0.00 0.00 179.25 178.29 2kgl h ASP 24 N 0.19 -0.55 -1.00 0.00 3.32 -1.73 -0.10 116.42 116.55 2kgl h ASP 24 Ca 0.34 0.14 0.15 0.00 0.02 0.00 0.00 57.03 57.68 2kgl h ASP 24 Cb 0.54 0.32 -0.09 0.00 0.22 0.00 0.00 39.33 40.31 2kgl h ASP 24 CO -0.48 -0.19 0.62 0.24 -1.72 0.00 0.00 179.24 177.71 2kgl h MET 25 N -0.07 0.86 -1.01 3.56 2.86 -1.42 -0.49 114.93 119.21 2kgl h MET 25 Ca 0.20 -0.05 0.24 0.00 -2.06 0.00 0.00 59.70 58.03 2kgl h MET 25 Cb 0.38 -0.19 -0.12 0.00 0.06 0.00 0.00 31.60 31.73 2kgl h MET 25 CO -0.46 0.57 0.60 0.00 1.06 0.00 0.00 176.91 178.68 2kgl h ALA 26 N 1.59 1.80 -0.94 6.32 0.00 -0.67 0.16 119.26 127.52 2kgl h ALA 26 Ca 0.53 0.11 0.15 0.00 0.00 0.00 0.00 54.91 55.71 2kgl h ALA 26 Cb 0.68 0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.38 2kgl h ALA 26 CO -0.31 -0.26 0.55 0.00 0.00 0.00 0.00 179.25 179.23 2kgl h ARG 27 N 0.60 0.75 -0.85 0.00 2.47 -1.05 0.14 114.38 116.45 2kgl h ARG 27 Ca 0.63 -0.05 0.25 0.00 -1.26 0.00 0.00 59.98 59.55 2kgl h ARG 27 Cb 1.20 -0.17 -0.03 0.00 -1.65 0.00 0.00 29.97 29.31 2kgl h ARG 27 CO -0.45 0.50 0.61 1.37 0.56 0.00 0.00 179.97 182.56 2kgl h LEU 28 N 0.78 0.00 -1.18 3.04 8.10 -0.78 0.22 115.31 125.48 2kgl h LEU 28 Ca 0.51 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.49 2kgl h LEU 28 Cb 0.69 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.87 2kgl h LEU 28 CO -0.34 0.00 0.41 0.25 -4.11 0.00 0.00 178.44 174.64 2kgl h LEU 29 N 0.00 0.86 -1.36 0.17 5.85 -0.80 -1.63 115.31 118.39 2kgl h LEU 29 Ca 0.40 -0.06 -0.07 0.00 0.84 0.00 0.00 57.88 59.00 2kgl h LEU 29 Cb 1.62 -0.22 -0.01 0.00 0.37 0.00 0.00 40.66 42.43 2kgl h LEU 29 CO -0.00 0.68 -0.32 1.05 -0.34 0.00 0.00 178.44 179.51 2kgl h GLU 30 N 0.98 0.00 -0.67 1.25 4.11 -0.66 -3.01 114.58 116.58 2kgl h GLU 30 Ca 0.25 0.00 0.13 0.00 0.07 0.00 0.00 59.36 59.81 2kgl h GLU 30 Cb -0.01 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 29.15 2kgl h GLU 30 CO -0.04 0.32 0.19 0.37 0.07 0.00 0.00 179.01 179.91 2kgl h GLN 31 N 0.00 0.31 -0.72 1.06 5.75 -1.25 -0.55 115.11 119.72 2kgl h GLN 31 Ca -0.00 -0.02 0.13 0.00 -0.15 0.00 0.00 58.65 58.61 2kgl h GLN 31 Cb 0.60 -0.07 -0.09 0.00 1.07 0.00 0.00 27.48 28.99 2kgl h GLN 31 CO 0.04 0.20 0.27 -1.49 -2.65 0.00 0.00 178.83 175.21 2kgl h TRP 32 N 0.32 0.46 0.00 3.99 -0.00 -1.61 0.25 115.95 119.36 2kgl h TRP 32 Ca 0.36 0.04 -0.04 0.00 -0.00 0.00 0.00 58.89 59.24 2kgl h TRP 32 Cb 0.55 -0.10 -0.01 0.00 -0.00 0.00 0.00 29.16 29.61 2kgl h TRP 32 CO -0.23 0.06 -0.21 0.93 -0.00 0.00 0.00 178.44 178.99 2kgl h GLU 33 N 0.42 0.00 0.00 0.49 4.39 -1.27 -2.30 114.58 116.31 2kgl h GLU 33 Ca 0.39 0.00 -0.08 0.00 0.34 0.00 0.00 59.36 60.00 2kgl h GLU 33 Cb 0.57 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 29.20 2kgl h GLU 33 CO -0.39 0.21 -0.40 -0.22 -1.16 0.00 0.00 179.01 177.05 2kgl h LYS 34 N 0.00 0.00 -0.61 2.33 3.11 0.16 -1.15 116.57 120.41 2kgl h LYS 34 Ca -0.00 0.00 0.12 0.00 -2.81 0.00 0.00 60.65 57.95 2kgl h LYS 34 Cb 0.51 0.00 -0.09 0.00 -1.00 0.00 0.00 32.23 31.65 2kgl h LYS 34 CO 0.03 0.40 0.13 0.22 -2.81 0.00 0.00 179.45 177.41 2kgl h ASP 35 N 0.00 -0.01 0.00 4.20 3.58 -0.89 0.39 116.42 123.70 2kgl h ASP 35 Ca -0.00 0.12 -0.25 0.00 0.42 0.00 0.00 57.03 57.31 2kgl h ASP 35 Cb 0.83 0.16 -0.04 0.00 1.72 0.00 0.00 39.33 42.01 2kgl h ASP 35 CO 0.05 0.00 -1.39 -0.67 -2.88 0.00 0.00 179.24 174.35 2kgl n ASP 36 N -5.13 1.87 0.25 2.28 2.03 -1.19 -4.59 116.55 112.08 2kgl n ASP 36 Ca 0.09 0.42 -0.11 0.00 0.52 0.00 0.00 54.79 55.72 2kgl n ASP 36 Cb 0.33 -0.94 -0.05 0.00 -0.72 0.00 0.00 41.12 39.74 2kgl n ASP 36 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 2kgl h ASP 37 N -1.00 -0.63 -5.62 1.67 3.32 -1.19 -3.47 116.42 109.50 2kgl h ASP 37 Ca -0.38 0.03 -0.20 0.00 0.02 0.00 0.00 57.03 56.50 2kgl h ASP 37 Cb 1.30 0.17 0.01 0.00 0.22 0.00 0.00 39.33 41.03 2kgl h ASP 37 CO -0.23 -0.41 -0.93 0.00 -1.72 0.00 0.00 179.24 175.94 2kgl n ILE 38 N -3.92 -2.55 -0.10 0.35 3.06 0.14 -4.94 119.36 111.40 2kgl n ILE 38 Ca -0.08 0.20 -0.19 0.00 -2.50 0.00 0.00 62.75 60.17 2kgl n ILE 38 Cb 0.27 -2.71 -0.06 0.00 0.54 0.00 0.00 39.64 37.68 2kgl n ILE 38 CO 0.00 0.00 0.00 1.21 -2.50 0.00 0.00 176.55 175.26 2kgl n GLU 39 N 0.36 0.50 -2.90 9.51 0.00 -1.26 -5.10 120.64 121.75 2kgl n GLU 39 Ca -0.04 0.21 -0.07 0.00 0.00 0.00 0.00 57.16 57.26 2kgl n GLU 39 Cb 0.50 -1.36 -0.00 0.00 0.00 0.00 0.00 31.44 30.59 2kgl n GLU 39 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kgl n GLU 40 N -4.21 0.58 0.00 5.31 1.02 -1.26 -5.05 120.64 117.03 2kgl n GLU 40 Ca -0.35 -1.57 0.00 0.00 -0.02 0.00 0.00 57.16 55.22 2kgl n GLU 40 Cb 0.70 1.72 0.00 0.00 -0.02 0.00 0.00 31.44 33.83 2kgl n GLU 40 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2kgl n GLY 41 N -0.35 0.97 3.08 0.62 0.00 -1.26 -4.37 105.19 103.89 2kgl n GLY 41 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.64 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 -1.56 5.33 -0.49 1.61 2.15 -1.26 -4.68 116.67 117.78 2kgl s ASP 42 Ca 0.00 -3.15 0.06 0.00 0.43 0.00 0.00 52.55 49.90 2kgl s ASP 42 Cb 0.00 -1.84 0.20 0.00 -0.30 0.00 0.00 42.92 40.98 2kgl s ASP 42 CO 0.00 -0.30 0.70 0.18 -0.17 0.00 0.00 175.17 175.59 2kgl n LEU 43 N 3.08 -2.69 -0.08 -1.34 4.77 -1.26 -5.00 117.00 114.48 2kgl n LEU 43 Ca 0.12 -3.33 -0.13 0.00 -0.03 0.00 0.00 56.01 52.64 2kgl n LEU 43 Cb 0.37 0.74 -0.05 0.00 -2.33 0.00 0.00 43.42 42.15 2kgl n LEU 43 CO 0.34 1.95 0.58 1.55 -1.33 0.00 0.00 177.39 180.48 2kgl h PRO 44 N 4.77 0.55 -5.58 3.23 0.13 -1.92 -3.36 132.00 129.82 2kgl h PRO 44 Ca 0.04 -0.29 0.00 0.00 -0.87 0.00 0.00 66.00 64.88 2kgl h PRO 44 Cb 1.05 0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.19 2kgl h PRO 44 CO 0.17 0.88 -1.00 0.39 -0.23 0.00 0.00 178.00 178.21 2kgl n GLU 45 N -4.39 -2.37 -0.07 0.86 1.02 -1.26 -3.61 120.64 110.81 2kgl n GLU 45 Ca -0.05 2.09 -0.12 0.00 -0.02 0.00 0.00 57.16 59.06 2kgl n GLU 45 Cb 0.42 -3.82 -0.06 0.00 -0.02 0.00 0.00 31.44 27.97 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 3.27 0.49 0.00 -0.32 2.07 -1.95 -3.39 115.15 115.32 2kgl h HIS 46 Ca -0.00 -0.12 0.00 0.00 -2.85 0.00 0.00 60.37 57.39 2kgl h HIS 46 Cb 0.36 -0.11 0.00 0.00 2.57 0.00 0.00 27.41 30.23 2kgl h HIS 46 CO 0.01 0.72 0.00 1.17 -3.07 0.00 0.00 177.93 176.76 2kgl n LYS 47 N -4.55 0.00 -3.13 5.12 4.81 -1.26 -4.15 118.16 115.00 2kgl n LYS 47 Ca -0.05 0.18 -0.19 0.00 -0.87 0.00 0.00 58.31 57.38 2kgl n LYS 47 Cb 0.33 -0.67 0.02 0.00 0.02 0.00 0.00 35.03 34.73 2kgl n LYS 47 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 2kgl n ARG 48 N -1.13 -2.13 -2.04 1.64 3.00 -1.26 -4.63 116.66 110.10 2kgl n ARG 48 Ca 0.00 1.80 -0.33 0.00 -0.00 0.00 0.00 57.85 59.32 2kgl n ARG 48 Cb 0.00 -3.81 -0.04 0.00 0.00 0.00 0.00 32.46 28.61 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 -2.32 2.59 0.26 -0.14 0.04 -1.26 -4.86 135.00 129.31 2kgl s PRO 49 Ca 0.26 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.54 2kgl s PRO 49 Cb -0.05 -4.73 -0.04 0.00 0.04 0.00 0.00 34.50 29.73 2kgl s PRO 49 CO 0.75 -3.06 0.10 -1.12 0.04 0.00 0.00 177.00 173.71 2kgl s SER 50 N 8.07 5.00 0.12 6.66 0.01 -1.26 -5.14 113.70 127.15 2kgl s SER 50 Ca 0.69 -0.47 -0.12 0.00 1.31 0.00 0.00 55.95 57.35 2kgl s SER 50 Cb -0.10 -1.09 0.02 0.00 0.21 0.00 0.00 66.02 65.06 2kgl s SER 50 CO 0.10 -0.03 0.31 0.00 0.41 0.00 0.00 173.24 174.03 2kgl s ALA 51 N -2.24 -0.55 -1.12 1.44 0.00 -1.26 -4.71 121.76 113.31 2kgl s ALA 51 Ca 0.32 -0.37 -0.23 0.00 0.00 0.00 0.00 51.96 51.69 2kgl s ALA 51 Cb -0.07 0.63 -0.10 0.00 0.00 0.00 0.00 23.12 23.58 2kgl s ALA 51 CO 0.22 -0.60 1.93 -0.35 0.00 0.00 0.00 175.76 176.97 2kgl n PRO 52 N -0.16 1.58 -1.83 0.00 -0.04 -1.24 -4.77 135.00 128.53 2kgl n PRO 52 Ca -0.14 -2.37 -0.38 0.00 -0.04 0.00 0.00 63.50 60.57 2kgl n PRO 52 Cb 0.63 -3.60 0.02 0.00 -0.04 0.00 0.00 33.50 30.51 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 7.53 3.55 -4.45 0.52 -5.35 -1.26 -4.89 119.36 115.01 2kgl n ILE 53 Ca 0.46 -4.03 -0.31 0.00 -0.27 0.00 0.00 62.75 58.59 2kgl n ILE 53 Cb 0.46 -1.30 -0.04 0.00 -1.74 0.00 0.00 39.64 37.01 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 -0.31 3.21 -0.01 7.28 5.68 -1.26 -4.89 116.55 126.26 2kgl n ASP 54 Ca 0.53 -3.16 -0.01 0.00 -0.50 0.00 0.00 54.79 51.65 2kgl n ASP 54 Cb 0.30 0.22 -0.00 0.00 -1.14 0.00 0.00 41.12 40.49 2kgl n ASP 54 CO 0.00 0.00 0.00 -0.26 -1.33 0.00 0.00 177.20 175.61 2kgl h PHE 55 N 1.05 0.00 -5.25 2.11 0.04 -1.92 -3.50 116.94 109.47 2kgl h PHE 55 Ca -0.41 0.00 -0.10 0.00 2.80 0.00 0.00 57.97 60.26 2kgl h PHE 55 Cb 1.31 0.00 0.08 0.00 2.20 0.00 0.00 35.95 39.54 2kgl h PHE 55 CO 0.00 0.00 -0.34 0.45 -0.60 0.00 0.00 178.31 177.82 2kgl n SER 56 N -2.57 -6.98 -0.90 2.17 2.88 -1.24 -4.95 113.62 102.03 2kgl n SER 56 Ca -0.01 -0.32 -0.01 0.00 -1.33 0.00 0.00 58.87 57.20 2kgl n SER 56 Cb 0.03 -4.99 -0.00 0.00 -0.75 0.00 0.00 64.21 58.50 2kgl n SER 56 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 2kgl n LYS 57 N -2.31 0.08 0.00 -1.46 4.81 -1.26 -5.03 118.16 112.98 2kgl n LYS 57 Ca -0.03 -0.23 0.00 0.00 -0.87 0.00 0.00 58.31 57.18 2kgl n LYS 57 Cb 0.55 0.40 0.00 0.00 0.02 0.00 0.00 35.03 35.99 2kgl n LYS 57 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kgl n LEU 58 N -0.09 0.82 -4.71 3.14 7.99 -1.26 -5.03 117.00 117.86 2kgl n LEU 58 Ca -0.06 0.11 -0.23 0.00 -0.01 0.00 0.00 56.01 55.83 2kgl n LEU 58 Cb 0.41 -0.22 -0.06 0.00 -0.11 0.00 0.00 43.42 43.44 2kgl n LEU 58 CO -0.03 -0.22 -0.26 -1.81 -1.51 0.00 0.00 177.39 173.55 2kgl s ASP 59 N -2.12 4.90 -1.12 -1.43 1.11 -1.26 -5.03 116.67 111.72 2kgl s ASP 59 Ca 0.00 -0.52 -0.23 0.00 0.18 0.00 0.00 52.55 51.99 2kgl s ASP 59 Cb 0.00 -1.03 -0.10 0.00 1.07 0.00 0.00 42.92 42.86 2kgl s ASP 59 CO 0.00 -0.03 1.93 -0.81 1.18 0.00 0.00 175.17 177.44 2kgl n PRO 60 N -1.01 1.57 -3.92 8.23 -0.04 -1.26 -4.91 135.00 133.65 2kgl n PRO 60 Ca -0.07 -2.37 -0.35 0.00 -0.04 0.00 0.00 63.50 60.67 2kgl n PRO 60 Cb 0.59 -3.61 -0.13 0.00 -0.04 0.00 0.00 33.50 30.31 2kgl n PRO 60 CO 0.00 0.00 0.00 0.20 -0.04 0.00 0.00 175.50 175.66 2kgl s GLY 61 N 6.27 1.72 -0.44 0.55 0.00 -1.26 -5.00 107.32 109.16 2kgl s GLY 61 Ca 0.67 -1.07 0.07 0.00 0.00 0.00 0.00 44.72 44.39 2kgl s GLY 61 CO 0.14 0.38 0.76 0.28 0.00 0.00 0.00 173.10 174.66 2kgl n LYS 62 N 4.58 0.80 -1.24 2.90 4.76 -1.26 -4.98 118.16 123.72 2kgl n LYS 62 Ca -0.17 -2.45 -0.31 0.00 -2.87 0.00 0.00 58.31 52.52 2kgl n LYS 62 Cb 0.51 -1.35 0.10 0.00 -1.84 0.00 0.00 35.03 32.46 2kgl n LYS 62 CO 0.00 0.00 0.00 -1.25 -1.37 0.00 0.00 177.40 174.78 2kgl s PRO 63 N -0.31 1.99 0.41 1.97 0.04 -1.26 -4.96 135.00 132.89 2kgl s PRO 63 Ca 0.33 1.08 0.22 0.00 0.04 0.00 0.00 61.00 62.66 2kgl s PRO 63 Cb 0.22 -1.87 0.30 0.00 0.04 0.00 0.00 34.50 33.19 2kgl s PRO 63 CO -0.16 -1.80 1.58 0.93 0.04 0.00 0.00 177.00 177.59 2kgl h GLU 64 N -1.24 0.00 -0.01 4.56 3.07 -1.91 -3.21 114.58 115.84 2kgl h GLU 64 Ca -0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.41 2kgl h GLU 64 Cb 1.24 0.00 -0.00 0.00 -0.84 0.00 0.00 28.75 29.15 2kgl h GLU 64 CO 0.52 0.08 0.04 0.66 -1.40 0.00 0.00 179.01 178.91 2kgl h SER 65 N 0.00 0.00 -1.00 1.42 4.64 -1.93 -2.25 113.55 114.42 2kgl h SER 65 Ca -0.00 0.00 0.19 0.00 -0.47 0.00 0.00 61.79 61.51 2kgl h SER 65 Cb 1.06 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 63.04 2kgl h SER 65 CO 0.01 0.00 0.61 0.40 -0.87 0.00 0.00 176.83 176.98 2kgl h ILE 66 N 0.00 0.70 -0.23 0.95 1.08 -1.93 0.23 117.51 118.31 2kgl h ILE 66 Ca 0.00 -0.26 -0.07 0.00 -0.39 0.00 0.00 64.86 64.15 2kgl h ILE 66 Cb 0.08 -0.12 -0.01 0.00 -3.07 0.00 0.00 36.82 33.70 2kgl h ILE 66 CO -0.00 0.14 -0.15 -0.07 -0.69 0.00 0.00 178.15 177.38 2kgl h LEU 67 N 0.75 0.38 -2.68 1.44 3.38 -1.66 -2.16 115.31 114.76 2kgl h LEU 67 Ca 0.58 -0.10 -0.00 0.00 0.09 0.00 0.00 57.88 58.45 2kgl h LEU 67 Cb 0.92 -0.10 -0.00 0.00 0.09 0.00 0.00 40.66 41.56 2kgl h LEU 67 CO -0.38 0.56 -0.00 0.11 0.09 0.00 0.00 178.44 178.82 2kgl h LYS 68 N 0.36 0.00 -0.55 1.13 1.79 -0.67 -1.65 116.57 116.99 2kgl h LYS 68 Ca 0.07 0.00 0.10 0.00 -2.18 0.00 0.00 60.65 58.64 2kgl h LYS 68 Cb 0.49 0.00 -0.03 0.00 -1.58 0.00 0.00 32.23 31.10 2kgl h LYS 68 CO 0.03 0.00 0.37 1.98 -1.08 0.00 0.00 179.45 180.75 2kgl h MET 69 N 0.00 0.32 -4.49 3.15 4.05 -1.30 -3.45 114.93 113.20 2kgl h MET 69 Ca -0.00 -0.02 -0.26 0.00 -0.28 0.00 0.00 59.70 59.14 2kgl h MET 69 Cb 0.01 -0.07 -0.03 0.00 -0.80 0.00 0.00 31.60 30.70 2kgl h MET 69 CO 0.00 0.21 -0.36 0.25 0.23 0.00 0.00 176.91 177.24 2kgl n THR 70 N -4.46 -0.67 -2.29 -0.77 -2.24 -0.62 -3.83 114.28 99.40 2kgl n THR 70 Ca 0.09 0.00 -0.03 0.00 -2.27 0.00 0.00 64.05 61.84 2kgl n THR 70 Cb 0.38 -1.60 -0.02 0.00 -2.10 0.00 0.00 70.33 66.99 2kgl n THR 70 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 2kgl n LYS 71 N -3.08 -4.21 -2.54 -0.78 4.81 -1.26 -4.74 118.16 106.36 2kgl n LYS 71 Ca -0.09 3.18 -0.23 0.00 -0.87 0.00 0.00 58.31 60.30 2kgl n LYS 71 Cb 0.58 -4.31 0.08 0.00 0.02 0.00 0.00 35.03 31.40 2kgl n LYS 71 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 2kgl s LYS 72 N -0.77 1.98 0.00 1.64 -0.14 -1.25 -5.04 119.74 116.15 2kgl s LYS 72 Ca -0.13 -0.89 0.00 0.00 -1.36 0.00 0.00 55.97 53.60 2kgl s LYS 72 Cb 0.01 -2.35 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 2kgl s LYS 72 CO 0.34 -1.22 0.44 0.41 -0.76 0.00 0.00 175.35 174.56 2kgl n GLY 73 N -2.72 -2.20 3.20 -3.33 0.00 -1.26 -4.24 105.19 94.65 2kgl n GLY 73 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 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 -0.03 0.29 0.25 1.61 0.00 -1.26 -0.01 119.74 120.60 2kgl s LYS 74 Ca 0.00 0.91 -0.04 0.00 0.00 0.00 0.00 55.97 56.84 2kgl s LYS 74 Cb 0.00 0.18 0.06 0.00 0.00 0.00 0.00 37.83 38.07 2kgl s LYS 74 CO 0.00 -0.24 0.25 0.25 0.00 0.00 0.00 175.35 175.61 2kgl n THR 75 N 5.14 0.00 -5.04 3.79 -2.24 -1.25 -4.74 114.28 109.94 2kgl n THR 75 Ca -0.11 -0.13 -0.29 0.00 -2.27 0.00 0.00 64.05 61.24 2kgl n THR 75 Cb 0.51 -1.27 -0.17 0.00 -2.10 0.00 0.00 70.33 67.30 2kgl n THR 75 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 2kgl s LEU 76 N 0.00 1.97 -0.30 3.22 2.96 -1.26 -4.49 118.68 120.78 2kgl s LEU 76 Ca 0.15 -0.46 -0.09 0.00 -0.22 0.00 0.00 54.13 53.51 2kgl s LEU 76 Cb -0.01 -1.21 0.14 0.00 0.50 0.00 0.00 46.19 45.61 2kgl s LEU 76 CO 0.12 0.15 0.65 -0.32 -1.32 0.00 0.00 176.35 175.62 2kgl s MET 77 N 0.26 0.58 -0.23 1.98 -2.45 -1.20 -3.16 119.30 115.07 2kgl s MET 77 Ca -0.13 1.39 -0.11 0.00 -1.25 0.00 0.00 55.69 55.59 2kgl s MET 77 Cb -0.16 0.83 0.08 0.00 1.25 0.00 0.00 34.83 36.84 2kgl s MET 77 CO 0.06 -0.26 0.55 -1.64 1.05 0.00 0.00 175.02 174.78 2kgl s MET 78 N 2.89 0.52 -0.09 4.11 -1.94 -1.14 -0.48 119.30 123.17 2kgl s MET 78 Ca -0.02 1.08 -0.01 0.00 -1.71 0.00 0.00 55.69 55.03 2kgl s MET 78 Cb -0.12 0.22 0.03 0.00 2.01 0.00 0.00 34.83 36.97 2kgl s MET 78 CO -0.19 -0.18 -0.01 -0.06 -0.01 0.00 0.00 175.02 174.57 2kgl s PHE 79 N 1.90 0.88 -0.27 -0.03 0.08 -0.48 -2.61 117.98 117.45 2kgl s PHE 79 Ca -0.08 -0.36 -0.16 0.00 0.12 0.00 0.00 56.93 56.45 2kgl s PHE 79 Cb -0.08 -0.92 0.08 0.00 -0.57 0.00 0.00 43.02 41.53 2kgl s PHE 79 CO -0.16 -0.39 0.66 0.54 -0.10 0.00 0.00 175.22 175.76 2kgl s VAL 80 N 1.90 -0.00 -0.52 -0.44 0.11 -1.10 -0.03 120.40 120.32 2kgl s VAL 80 Ca 0.04 0.01 0.04 0.00 -2.93 0.00 0.00 61.98 59.14 2kgl s VAL 80 Cb -0.13 -0.95 0.15 0.00 -1.53 0.00 0.00 36.38 33.93 2kgl s VAL 80 CO -0.06 0.00 0.35 0.28 -3.33 0.00 0.00 175.10 172.34 2kgl s THR 81 N 1.49 1.66 -0.14 5.04 -1.32 0.21 -0.93 115.64 121.64 2kgl s THR 81 Ca -0.09 -3.16 -0.31 0.00 -1.21 0.00 0.00 61.69 56.92 2kgl s THR 81 Cb -0.05 -2.13 0.13 0.00 -1.51 0.00 0.00 72.50 68.94 2kgl s THR 81 CO -0.17 -1.01 1.07 0.54 -2.21 0.00 0.00 174.62 172.84 2kgl s VAL 82 N -0.32 0.00 -0.50 5.08 0.11 0.87 -1.69 120.40 123.95 2kgl s VAL 82 Ca 0.24 0.00 -0.27 0.00 -2.93 0.00 0.00 61.98 59.01 2kgl s VAL 82 Cb -0.11 -1.00 -0.02 0.00 -1.53 0.00 0.00 36.38 33.72 2kgl s VAL 82 CO -0.10 0.00 1.87 -0.55 -3.33 0.00 0.00 175.10 172.99 2kgl s SER 83 N -1.73 5.44 0.00 3.54 0.15 -1.26 -3.17 113.70 116.68 2kgl s SER 83 Ca 0.04 0.73 0.00 0.00 0.70 0.00 0.00 55.95 57.42 2kgl s SER 83 Cb -0.01 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.78 2kgl s SER 83 CO -0.04 -2.17 0.00 0.61 1.20 0.00 0.00 173.24 172.84 2kgl n GLY 84 N 5.61 0.03 3.65 9.45 0.00 -1.26 -4.77 105.19 117.91 2kgl n GLY 84 Ca 0.22 -1.46 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 2kgl n GLY 84 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 2kgl s ASN 85 N -1.00 -0.01 -0.57 1.61 3.84 -1.25 -4.82 114.94 112.75 2kgl s ASN 85 Ca 0.00 0.01 -0.27 0.00 0.21 0.00 0.00 52.86 52.81 2kgl s ASN 85 Cb 0.00 0.01 -0.02 0.00 -0.55 0.00 0.00 41.25 40.69 2kgl s ASN 85 CO 0.00 -0.00 1.83 -2.16 -2.79 0.00 0.00 177.10 173.98 2kgl s PRO 86 N -0.67 2.76 0.00 0.43 0.04 -1.26 -4.19 135.00 132.11 2kgl s PRO 86 Ca 0.09 0.73 0.01 0.00 0.04 0.00 0.00 61.00 61.87 2kgl s PRO 86 Cb -0.02 -4.35 0.01 0.00 0.04 0.00 0.00 34.50 30.18 2kgl s PRO 86 CO -0.11 -2.57 0.70 2.41 0.04 0.00 0.00 177.00 177.47 2kgl n THR 87 N 7.23 0.00 0.00 1.26 -1.04 -1.26 -4.97 114.28 115.50 2kgl n THR 87 Ca 0.21 -0.03 0.00 0.00 -2.04 0.00 0.00 64.05 62.19 2kgl n THR 87 Cb 0.51 0.21 0.00 0.00 -1.82 0.00 0.00 70.33 69.23 2kgl n THR 87 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 2kgl n GLU 88 N 0.01 0.00 -0.16 -2.82 0.00 -1.26 -0.03 120.64 116.38 2kgl n GLU 88 Ca -0.09 0.48 0.21 0.00 0.00 0.00 0.00 57.16 57.76 2kgl n GLU 88 Cb 0.59 -1.46 0.59 0.00 0.00 0.00 0.00 31.44 31.16 2kgl n GLU 88 CO 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 177.13 176.91 2kgl h LYS 89 N 0.00 0.23 -0.24 5.31 3.64 -2.00 0.13 116.57 123.64 2kgl h LYS 89 Ca 0.00 -0.01 -0.15 0.00 -1.27 0.00 0.00 60.65 59.22 2kgl h LYS 89 Cb 0.00 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 31.76 2kgl h LYS 89 CO 0.00 0.15 -0.47 0.93 -2.27 0.00 0.00 179.45 177.79 2kgl h GLU 90 N 0.24 0.63 -0.00 1.90 5.08 -1.91 -3.15 114.58 117.37 2kgl h GLU 90 Ca 0.40 -0.36 0.02 0.00 -1.00 0.00 0.00 59.36 58.42 2kgl h GLU 90 Cb 1.19 0.02 -0.05 0.00 0.50 0.00 0.00 28.75 30.42 2kgl h GLU 90 CO -0.09 0.97 -0.50 1.15 -1.00 0.00 0.00 179.01 179.54 2kgl h THR 91 N 0.50 0.00 -0.32 1.13 2.02 0.24 0.16 112.91 116.65 2kgl h THR 91 Ca 0.03 0.00 0.09 0.00 0.77 0.00 0.00 66.41 67.30 2kgl h THR 91 Cb 1.01 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 2kgl h THR 91 CO 0.09 0.00 0.25 -0.08 0.37 0.00 0.00 175.52 176.16 2kgl h GLU 92 N -0.63 0.00 0.00 6.66 4.81 -1.62 0.24 114.58 124.04 2kgl h GLU 92 Ca 0.01 0.00 -0.05 0.00 -0.13 0.00 0.00 59.36 59.19 2kgl h GLU 92 Cb 0.67 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.04 2kgl h GLU 92 CO -0.33 0.00 -0.23 1.49 -0.73 0.00 0.00 179.01 179.21 2kgl h GLU 93 N 0.00 0.00 -0.99 1.92 4.81 -0.88 -3.25 114.58 116.18 2kgl h GLU 93 Ca 0.15 0.00 0.23 0.00 -0.13 0.00 0.00 59.36 59.61 2kgl h GLU 93 Cb 0.66 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.92 2kgl h GLU 93 CO -0.00 0.23 0.58 0.82 -0.73 0.00 0.00 179.01 179.91 2kgl h ILE 94 N 0.00 0.58 -0.29 2.32 1.08 0.21 0.34 117.51 121.76 2kgl h ILE 94 Ca -0.00 -0.21 -0.09 0.00 -0.39 0.00 0.00 64.86 64.16 2kgl h ILE 94 Cb 0.98 -0.09 -0.01 0.00 -3.07 0.00 0.00 36.82 34.63 2kgl h ILE 94 CO 0.03 0.11 -0.20 0.00 -0.69 0.00 0.00 178.15 177.40 2kgl h THR 95 N 0.62 1.26 -0.08 -0.27 1.03 -1.69 0.28 112.91 114.06 2kgl h THR 95 Ca 0.62 -1.19 -0.04 0.00 -0.01 0.00 0.00 66.41 65.78 2kgl h THR 95 Cb 1.11 1.26 -0.00 0.00 -1.07 0.00 0.00 68.15 69.45 2kgl h THR 95 CO -0.45 0.39 -0.13 -1.28 -0.01 0.00 0.00 175.52 174.04 2kgl h SER 96 N 0.47 0.25 -0.14 0.00 0.87 -0.59 -3.16 113.55 111.25 2kgl h SER 96 Ca 0.08 -0.54 -0.16 0.00 -1.23 0.00 0.00 61.79 59.93 2kgl h SER 96 Cb 0.62 -0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.50 2kgl h SER 96 CO 0.04 0.74 -0.49 -0.07 -0.53 0.00 0.00 176.83 176.52 2kgl h LEU 97 N -0.24 0.78 -2.00 2.23 3.38 -0.97 -2.97 115.31 115.51 2kgl h LEU 97 Ca 0.01 -0.39 0.19 0.00 0.09 0.00 0.00 57.88 57.77 2kgl h LEU 97 Cb 0.69 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 2kgl h LEU 97 CO 0.03 1.14 0.46 -0.25 0.09 0.00 0.00 178.44 179.91 2kgl h TRP 98 N 0.56 0.00 -0.71 1.13 7.01 -0.49 -0.67 115.95 122.78 2kgl h TRP 98 Ca 0.03 0.00 0.09 0.00 2.11 0.00 0.00 58.89 61.11 2kgl h TRP 98 Cb 1.05 0.00 -0.07 0.00 -2.10 0.00 0.00 29.16 28.05 2kgl h TRP 98 CO 0.05 0.00 0.36 1.96 -2.79 0.00 0.00 178.44 178.02 2kgl h GLN 99 N 0.00 0.60 0.20 2.65 4.20 -1.48 0.52 115.11 121.80 2kgl h GLN 99 Ca 0.30 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.97 2kgl h GLN 99 Cb 1.23 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2kgl h GLN 99 CO -0.00 0.40 -0.10 0.78 -0.67 0.00 0.00 178.83 179.24 2kgl h GLY 100 N 0.62 -0.28 0.23 3.46 0.00 -1.29 -3.17 103.07 102.64 2kgl h GLY 100 Ca 0.35 0.10 0.11 0.00 0.00 0.00 0.00 47.33 47.89 2kgl h GLY 100 CO -0.26 -0.10 0.17 1.76 0.00 0.00 0.00 176.54 178.11 2kgl h SER 101 N -0.78 0.09 -0.93 0.19 0.02 -1.40 0.43 113.55 111.16 2kgl h SER 101 Ca -0.03 0.10 0.21 0.00 -0.84 0.00 0.00 61.79 61.23 2kgl h SER 101 Cb 0.51 0.12 -0.07 0.00 0.14 0.00 0.00 62.40 63.10 2kgl h SER 101 CO 0.05 0.05 0.61 0.25 -1.14 0.00 0.00 176.83 176.64 2kgl h LEU 102 N 0.31 0.48 -1.80 5.07 7.12 -0.96 0.23 115.31 125.76 2kgl h LEU 102 Ca 0.32 0.05 0.13 0.00 0.13 0.00 0.00 57.88 58.52 2kgl h LEU 102 Cb 0.46 -0.03 -0.03 0.00 -0.53 0.00 0.00 40.66 40.53 2kgl h LEU 102 CO -0.38 0.18 0.40 0.15 -0.13 0.00 0.00 178.44 178.67 2kgl h PHE 103 N 0.47 0.23 0.00 1.25 3.04 -0.87 0.24 116.94 121.30 2kgl h PHE 103 Ca 0.50 0.01 0.00 0.00 3.98 0.00 0.00 57.97 62.45 2kgl h PHE 103 Cb 1.15 -0.07 0.00 0.00 2.56 0.00 0.00 35.95 39.59 2kgl h PHE 103 CO -0.00 0.10 0.00 -0.97 -2.02 0.00 0.00 178.31 175.42 2kgl h ASN 104 N 0.21 0.00 -0.47 0.41 -1.24 -0.58 -3.45 115.58 110.45 2kgl h ASN 104 Ca 0.28 0.00 -0.20 0.00 0.71 0.00 0.00 56.30 57.08 2kgl h ASN 104 Cb 0.81 0.00 -0.08 0.00 0.73 0.00 0.00 38.32 39.78 2kgl h ASN 104 CO -0.05 0.00 -0.18 0.00 -1.29 0.00 0.00 177.43 175.91 2kgl n ALA 105 N -1.96 -0.15 -2.17 1.57 0.00 0.86 -3.66 120.51 115.00 2kgl n ALA 105 Ca -0.02 0.16 -0.01 0.00 0.00 0.00 0.00 53.44 53.57 2kgl n ALA 105 Cb 0.09 -1.53 -0.02 0.00 0.00 0.00 0.00 19.45 18.00 2kgl n ALA 105 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 2kgl n ASN 106 N -0.74 0.00 -4.58 0.00 5.15 -1.26 -4.85 115.26 108.98 2kgl n ASN 106 Ca -0.10 -1.84 -0.42 0.00 -0.60 0.00 0.00 54.58 51.63 2kgl n ASN 106 Cb 0.49 -0.03 0.01 0.00 -0.53 0.00 0.00 39.78 39.71 2kgl n ASN 106 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kgl n TYR 107 N 0.17 0.91 -4.04 1.20 9.36 -1.26 -3.80 117.16 119.70 2kgl n TYR 107 Ca -0.07 0.58 -0.26 0.00 3.32 0.00 0.00 57.90 61.47 2kgl n TYR 107 Cb 0.82 -2.19 -0.17 0.00 -0.63 0.00 0.00 39.34 37.17 2kgl n TYR 107 CO 0.00 0.00 0.00 -0.51 0.22 0.00 0.00 176.86 176.57 2kgl s ASP 108 N -0.77 2.01 -0.20 2.98 1.11 -1.11 -4.92 116.67 115.77 2kgl s ASP 108 Ca 0.63 -0.28 -0.18 0.00 0.18 0.00 0.00 52.55 52.90 2kgl s ASP 108 Cb -0.58 -0.80 0.05 0.00 1.07 0.00 0.00 42.92 42.67 2kgl s ASP 108 CO 0.57 -0.09 0.54 0.54 1.18 0.00 0.00 175.17 177.91 2kgl s VAL 109 N 1.48 -0.00 -0.02 -1.27 0.11 -1.26 -1.56 120.40 117.89 2kgl s VAL 109 Ca 0.00 0.00 0.00 0.00 -2.93 0.00 0.00 61.98 59.06 2kgl s VAL 109 Cb -0.13 -0.76 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 2kgl s VAL 109 CO -0.05 0.00 0.01 0.00 -3.33 0.00 0.00 175.10 171.73 2kgl s GLN 110 N 0.37 0.04 -0.04 1.54 -2.07 0.72 -4.54 119.66 115.69 2kgl s GLN 110 Ca -0.01 0.11 0.05 0.00 -1.82 0.00 0.00 55.36 53.69 2kgl s GLN 110 Cb -0.04 -0.22 -0.01 0.00 -1.09 0.00 0.00 33.01 31.65 2kgl s GLN 110 CO -0.00 -0.11 -0.19 1.03 -1.32 0.00 0.00 175.29 174.69 2kgl s ARG 111 N 0.74 1.85 -0.01 9.60 0.52 -1.26 -1.20 118.95 129.20 2kgl s ARG 111 Ca -0.06 -0.69 0.03 0.00 -0.52 0.00 0.00 55.73 54.49 2kgl s ARG 111 Cb -0.09 -1.65 -0.00 0.00 0.52 0.00 0.00 34.95 33.72 2kgl s ARG 111 CO -0.02 0.32 -0.09 0.12 0.02 0.00 0.00 175.30 175.65 2kgl s PHE 112 N -0.15 0.83 -0.11 -0.53 2.19 -0.84 -4.63 117.98 114.74 2kgl s PHE 112 Ca -0.00 -0.17 -0.01 0.00 0.33 0.00 0.00 56.93 57.09 2kgl s PHE 112 Cb -0.11 -0.55 0.03 0.00 -1.31 0.00 0.00 43.02 41.08 2kgl s PHE 112 CO 0.02 -0.03 -0.07 0.42 1.83 0.00 0.00 175.22 177.39 2kgl s ILE 113 N -0.12 0.97 -0.05 3.12 1.01 -1.26 -3.11 121.20 121.76 2kgl s ILE 113 Ca 0.02 -0.26 -0.09 0.00 0.00 0.00 0.00 60.65 60.32 2kgl s ILE 113 Cb -0.04 -1.01 0.02 0.00 0.01 0.00 0.00 42.46 41.44 2kgl s ILE 113 CO -0.00 0.36 0.22 -0.69 0.00 0.00 0.00 174.94 174.83 2kgl s VAL 114 N 1.73 0.04 0.56 2.92 1.01 -1.00 -5.03 120.40 120.63 2kgl s VAL 114 Ca 0.05 -0.31 0.29 0.00 0.00 0.00 0.00 61.98 62.02 2kgl s VAL 114 Cb -0.13 -0.42 0.42 0.00 0.00 0.00 0.00 36.38 36.26 2kgl s VAL 114 CO -0.08 -0.17 1.90 1.23 0.00 0.00 0.00 175.10 177.98 2kgl h GLY 115 N 4.93 0.00 0.53 4.51 0.00 -2.05 -1.04 103.07 109.95 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 0.38 0.00 -0.04 1.76 0.00 0.00 0.00 176.54 178.64 2kgl h SER 116 N 0.00 0.08 -5.52 0.19 0.02 -2.04 -3.49 113.55 102.80 2kgl h SER 116 Ca 0.30 -0.52 0.23 0.00 -0.84 0.00 0.00 61.79 60.96 2kgl h SER 116 Cb 1.38 -0.02 -0.07 0.00 0.14 0.00 0.00 62.40 63.83 2kgl h SER 116 CO -0.00 0.59 0.65 1.51 -1.14 0.00 0.00 176.83 178.44 2kgl s ASP 117 N -5.83 -0.06 -0.05 3.07 -4.77 -0.40 -4.64 116.67 103.99 2kgl s ASP 117 Ca -0.16 -0.41 0.02 0.00 -3.30 0.00 0.00 52.55 48.70 2kgl s ASP 117 Cb 0.02 0.38 0.01 0.00 -1.09 0.00 0.00 42.92 42.24 2kgl s ASP 117 CO 0.69 -0.72 -0.11 -0.13 0.70 0.00 0.00 175.17 175.60 2kgl s ARG 118 N -2.55 1.43 -0.05 2.11 3.00 -1.19 -2.38 118.95 119.32 2kgl s ARG 118 Ca 0.18 -0.37 0.02 0.00 0.00 0.00 0.00 55.73 55.56 2kgl s ARG 118 Cb -0.00 -1.23 0.01 0.00 0.00 0.00 0.00 34.95 33.72 2kgl s ARG 118 CO 0.02 0.06 -0.11 0.00 0.00 0.00 0.00 175.30 175.26 2kgl s ALA 119 N 0.51 1.14 -0.05 2.13 0.00 -1.18 -0.09 121.76 124.22 2kgl s ALA 119 Ca -0.10 -0.38 0.02 0.00 0.00 0.00 0.00 51.96 51.50 2kgl s ALA 119 Cb -0.14 -0.49 0.01 0.00 0.00 0.00 0.00 23.12 22.51 2kgl s ALA 119 CO 0.02 0.13 -0.11 -1.50 0.00 0.00 0.00 175.76 174.30 2kgl s ILE 120 N 0.52 1.02 -0.06 0.00 2.07 -0.11 -2.00 121.20 122.64 2kgl s ILE 120 Ca -0.11 -0.43 0.02 0.00 -1.41 0.00 0.00 60.65 58.72 2kgl s ILE 120 Cb -0.14 -0.93 0.01 0.00 0.13 0.00 0.00 42.46 41.54 2kgl s ILE 120 CO 0.02 0.32 -0.11 0.12 -1.91 0.00 0.00 174.94 173.39 2kgl s PHE 121 N 0.55 1.30 -0.14 3.50 2.19 -0.34 -2.72 117.98 122.32 2kgl s PHE 121 Ca -0.11 -0.45 -0.10 0.00 0.33 0.00 0.00 56.93 56.59 2kgl s PHE 121 Cb -0.14 -0.97 0.05 0.00 -1.31 0.00 0.00 43.02 40.65 2kgl s PHE 121 CO 0.03 -0.24 0.36 0.00 1.83 0.00 0.00 175.22 177.19 2kgl s MET 122 N 0.65 0.38 -0.14 10.12 0.23 -1.07 -0.20 119.30 129.26 2kgl s MET 122 Ca -0.13 0.61 -0.12 0.00 -1.03 0.00 0.00 55.69 55.02 2kgl s MET 122 Cb -0.15 0.07 0.04 0.00 -1.53 0.00 0.00 34.83 33.26 2kgl s MET 122 CO 0.03 -0.11 0.36 -1.17 -2.03 0.00 0.00 175.02 172.10 2kgl s LEU 123 N 0.79 0.52 0.58 0.18 0.20 -0.60 -2.90 118.68 117.46 2kgl s LEU 123 Ca -0.05 0.74 0.28 0.00 0.69 0.00 0.00 54.13 55.79 2kgl s LEU 123 Cb -0.06 1.23 1.58 0.00 -0.43 0.00 0.00 46.19 48.51 2kgl s LEU 123 CO -0.06 -0.14 2.04 0.08 -0.29 0.00 0.00 176.35 177.99 2kgl h ARG 124 N 5.85 0.00 0.00 1.98 0.11 -1.83 -3.14 114.38 117.35 2kgl h ARG 124 Ca -0.29 0.00 -0.19 0.00 0.10 0.00 0.00 59.98 59.61 2kgl h ARG 124 Cb 1.18 0.00 0.08 0.00 1.11 0.00 0.00 29.97 32.34 2kgl h ARG 124 CO 0.29 0.00 0.18 -0.25 0.10 0.00 0.00 179.97 180.29 2kgl n ASP 125 N -3.83 -0.02 0.00 0.08 8.00 -1.26 -4.52 116.55 115.00 2kgl n ASP 125 Ca 0.04 -1.19 0.00 0.00 0.71 0.00 0.00 54.79 54.34 2kgl n ASP 125 Cb 0.43 -0.45 0.00 0.00 -0.02 0.00 0.00 41.12 41.08 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 1.12 0.56 0.32 0.44 0.00 -1.25 -2.75 105.19 103.63 2kgl n GLY 126 Ca 0.07 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.12 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 0.77 -0.97 1.61 0.87 -1.98 -1.36 113.55 112.49 2kgl h SER 127 Ca 0.00 0.03 0.17 0.00 -1.23 0.00 0.00 61.79 60.76 2kgl h SER 127 Cb 0.00 -0.12 -0.10 0.00 -0.44 0.00 0.00 62.40 61.74 2kgl h SER 127 CO 0.00 0.46 0.57 0.22 -0.53 0.00 0.00 176.83 177.55 2kgl h TYR 128 N 0.89 1.01 0.00 2.24 5.03 -1.99 0.21 116.97 124.35 2kgl h TYR 128 Ca 0.40 0.03 -0.10 0.00 2.58 0.00 0.00 58.73 61.64 2kgl h TYR 128 Cb 0.29 -0.30 -0.01 0.00 1.55 0.00 0.00 36.73 38.25 2kgl h TYR 128 CO -0.04 0.26 -0.50 0.00 -1.32 0.00 0.00 178.16 176.56 2kgl h ALA 129 N 1.61 1.17 -0.55 1.82 0.00 -1.53 -2.88 119.26 118.89 2kgl h ALA 129 Ca 0.54 -0.45 -0.05 0.00 0.00 0.00 0.00 54.91 54.94 2kgl h ALA 129 Cb 0.76 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.45 2kgl h ALA 129 CO -0.36 0.62 0.15 2.35 0.00 0.00 0.00 179.25 182.02 2kgl h TRP 130 N 0.00 0.91 0.31 0.00 -0.00 -0.28 0.25 115.95 117.13 2kgl h TRP 130 Ca -0.00 -0.10 -0.02 0.00 -0.00 0.00 0.00 58.89 58.77 2kgl h TRP 130 Cb 0.89 -0.26 0.00 0.00 -0.00 0.00 0.00 29.16 29.79 2kgl h TRP 130 CO 0.00 0.78 -0.15 1.49 -0.00 0.00 0.00 178.44 180.56 2kgl h GLU 131 N 0.78 -0.40 -0.11 2.65 4.81 -1.33 -3.07 114.58 117.90 2kgl h GLU 131 Ca 0.18 0.03 -0.03 0.00 -0.13 0.00 0.00 59.36 59.40 2kgl h GLU 131 Cb 0.31 0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 2kgl h GLU 131 CO -0.00 -0.10 -0.08 0.82 -0.73 0.00 0.00 179.01 178.92 2kgl h ILE 132 N -0.71 1.13 0.16 2.32 2.04 -1.51 -3.11 117.51 117.83 2kgl h ILE 132 Ca -0.04 -0.56 0.00 0.00 1.00 0.00 0.00 64.86 65.26 2kgl h ILE 132 Cb 0.49 1.14 -0.03 0.00 -0.74 0.00 0.00 36.82 37.68 2kgl h ILE 132 CO 0.07 0.18 -0.39 0.50 0.00 0.00 0.00 178.15 178.51 2kgl h LYS 133 N 0.16 -0.58 -0.88 2.37 3.11 -0.41 0.25 116.57 120.58 2kgl h LYS 133 Ca 0.04 0.04 0.19 0.00 -2.81 0.00 0.00 60.65 58.10 2kgl h LYS 133 Cb 0.26 0.13 -0.07 0.00 -1.00 0.00 0.00 32.23 31.56 2kgl h LYS 133 CO 0.01 -0.39 0.58 0.22 -2.81 0.00 0.00 179.45 177.06 2kgl h ASP 134 N -0.61 0.45 0.39 4.20 3.58 -1.48 0.25 116.42 123.20 2kgl h ASP 134 Ca -0.02 0.04 -0.11 0.00 0.42 0.00 0.00 57.03 57.36 2kgl h ASP 134 Cb 0.58 -0.04 -0.01 0.00 1.72 0.00 0.00 39.33 41.58 2kgl h ASP 134 CO -0.17 0.19 -0.49 0.15 -2.88 0.00 0.00 179.24 176.04 2kgl h PHE 135 N 0.46 0.15 0.26 0.28 3.57 -1.21 -2.55 116.94 117.89 2kgl h PHE 135 Ca 0.45 -0.05 -0.01 0.00 3.53 0.00 0.00 57.97 61.90 2kgl h PHE 135 Cb 1.05 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.76 2kgl h PHE 135 CO -0.00 0.59 -0.13 1.25 -2.23 0.00 0.00 178.31 177.80 2kgl h LEU 136 N 0.10 -0.30 -2.00 0.59 7.12 0.29 -3.17 115.31 117.94 2kgl h LEU 136 Ca 0.00 0.01 0.24 0.00 0.13 0.00 0.00 57.88 58.26 2kgl h LEU 136 Cb 0.91 0.08 -0.03 0.00 -0.53 0.00 0.00 40.66 41.08 2kgl h LEU 136 CO 0.07 -0.14 0.60 1.62 -0.13 0.00 0.00 178.44 180.46 2kgl h VAL 137 N -0.50 0.58 -0.92 1.05 3.04 -1.55 0.56 116.25 118.51 2kgl h VAL 137 Ca -0.04 0.00 0.20 0.00 -1.01 0.00 0.00 66.70 65.86 2kgl h VAL 137 Cb 0.27 0.58 -0.07 0.00 -2.01 0.00 0.00 31.29 30.06 2kgl h VAL 137 CO 0.06 0.00 0.60 0.28 -1.01 0.00 0.00 177.57 177.50 2kgl h SER 138 N 0.00 0.46 -0.08 3.17 0.02 -1.42 -1.09 113.55 114.61 2kgl h SER 138 Ca 0.39 0.05 -0.03 0.00 -0.84 0.00 0.00 61.79 61.36 2kgl h SER 138 Cb 1.58 -0.03 -0.00 0.00 0.14 0.00 0.00 62.40 64.09 2kgl h SER 138 CO -0.00 0.18 -0.08 1.56 -1.14 0.00 0.00 176.83 177.34 2kgl h GLN 139 N 0.46 0.19 -1.77 3.45 1.08 -0.95 -3.46 115.11 114.11 2kgl h GLN 139 Ca 0.49 -0.10 -0.36 0.00 -1.45 0.00 0.00 58.65 57.22 2kgl h GLN 139 Cb 1.14 0.01 -0.08 0.00 -0.05 0.00 0.00 27.48 28.50 2kgl h GLN 139 CO -0.20 0.64 -0.40 -3.47 -0.95 0.00 0.00 178.83 174.44 2kgl n ASP 140 N -4.69 -5.21 -2.66 1.46 2.03 -0.42 -4.81 116.55 102.25 2kgl n ASP 140 Ca -0.07 0.20 -0.03 0.00 0.52 0.00 0.00 54.79 55.40 2kgl n ASP 140 Cb 0.32 -4.29 0.10 0.00 -0.72 0.00 0.00 41.12 36.53 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 -2.61 0.20 -3.90 -0.67 0.63 -0.68 -4.76 116.66 104.86 2kgl n ARG 141 Ca -0.20 -0.77 -0.11 0.00 -0.92 0.00 0.00 57.85 55.85 2kgl n ARG 141 Cb 0.63 -0.18 -0.12 0.00 0.45 0.00 0.00 32.46 33.24 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 -0.66 1.29 -0.13 0.00 0.00 -1.26 -0.62 121.76 120.38 2kgl s ALA 143 Ca -0.07 -0.52 -0.14 0.00 0.00 0.00 0.00 51.96 51.22 2kgl s ALA 143 Cb -0.05 -0.90 0.04 0.00 0.00 0.00 0.00 23.12 22.22 2kgl s ALA 143 CO -0.00 -0.41 0.39 -1.21 0.00 0.00 0.00 175.76 174.53 2kgl s GLU 144 N 1.70 0.50 -0.05 0.00 2.02 0.95 -4.16 118.70 119.66 2kgl s GLU 144 Ca 0.05 0.44 -0.11 0.00 0.02 0.00 0.00 54.97 55.37 2kgl s GLU 144 Cb -0.13 0.24 0.02 0.00 0.10 0.00 0.00 34.13 34.37 2kgl s GLU 144 CO -0.08 -0.08 0.26 0.14 0.02 0.00 0.00 175.26 175.52 2kgl s VAL 145 N -0.03 0.03 -0.07 2.63 -7.23 -1.26 -1.38 120.40 113.09 2kgl s VAL 145 Ca -0.02 -0.28 -0.03 0.00 -1.81 0.00 0.00 61.98 59.84 2kgl s VAL 145 Cb -0.03 -0.47 0.04 0.00 0.56 0.00 0.00 36.38 36.48 2kgl s VAL 145 CO 0.01 -0.16 0.11 -0.89 -0.31 0.00 0.00 175.10 173.87 2kgl s THR 146 N -0.61 -0.19 -0.07 5.32 2.01 0.37 -4.51 115.64 117.95 2kgl s THR 146 Ca -0.07 0.35 -0.03 0.00 0.31 0.00 0.00 61.69 62.26 2kgl s THR 146 Cb -0.04 -0.25 0.04 0.00 0.01 0.00 0.00 72.50 72.26 2kgl s THR 146 CO 0.02 0.14 0.11 -0.22 -0.69 0.00 0.00 174.62 173.97 2kgl s LEU 147 N 2.23 0.05 0.55 4.42 1.98 -1.24 -3.26 118.68 123.41 2kgl s LEU 147 Ca 0.04 0.15 0.08 0.00 -2.89 0.00 0.00 54.13 51.51 2kgl s LEU 147 Cb -0.12 0.05 0.07 0.00 0.66 0.00 0.00 46.19 46.84 2kgl s LEU 147 CO -0.05 -0.25 0.76 -1.61 -1.89 0.00 0.00 176.35 173.31 2kgl s GLU 148 N 2.23 2.37 -0.09 1.98 8.01 -1.26 -4.60 118.70 127.33 2kgl s GLU 148 Ca 0.04 -1.45 0.03 0.00 0.01 0.00 0.00 54.97 53.60 2kgl s GLU 148 Cb -0.12 -2.63 0.09 0.00 -4.31 0.00 0.00 34.13 27.16 2kgl s GLU 148 CO -0.05 -0.78 0.76 0.41 0.01 0.00 0.00 175.26 175.62 2kgl n GLY 149 N -2.22 -0.30 0.32 -1.39 0.00 -1.26 -4.72 105.19 95.62 2kgl n GLY 149 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 46.02 46.12 2kgl n GLY 149 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kgl n GLN 150 N -0.37 0.00 -2.67 1.61 1.13 -1.25 -5.02 117.38 110.80 2kgl n GLN 150 Ca -0.05 0.00 -0.03 0.00 -1.94 0.00 0.00 57.00 54.97 2kgl n GLN 150 Cb 0.59 -0.06 0.03 0.00 0.11 0.00 0.00 30.24 30.92 2kgl n GLN 150 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 2kgl s MET 151 N -0.43 0.21 -0.40 -1.09 0.00 -1.17 -4.94 119.30 111.48 2kgl s MET 151 Ca 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 55.69 55.48 2kgl s MET 151 Cb 0.00 -0.01 0.24 0.00 0.00 0.00 0.00 34.83 35.06 2kgl s MET 151 CO 0.00 -0.26 1.03 0.66 0.00 0.00 0.00 175.02 176.45 2kgl n TYR 152 N 2.59 -1.84 -1.17 4.11 4.01 0.99 -5.01 117.16 120.83 2kgl n TYR 152 Ca 0.12 -1.06 -0.29 0.00 -0.16 0.00 0.00 57.90 56.50 2kgl n TYR 152 Cb 0.65 1.28 0.17 0.00 -0.31 0.00 0.00 39.34 41.12 2kgl n TYR 152 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 2kgl s PRO 153 N 0.59 0.65 0.00 -0.72 0.04 -1.25 -3.77 135.00 130.55 2kgl s PRO 153 Ca 0.28 0.61 0.09 0.00 0.04 0.00 0.00 61.00 62.01 2kgl s PRO 153 Cb 0.16 -1.76 -0.08 0.00 0.04 0.00 0.00 34.50 32.87 2kgl s PRO 153 CO -0.12 -2.60 0.43 0.41 0.04 0.00 0.00 177.00 175.15 2kgl n GLY 154 N -1.08 0.09 0.38 0.56 0.00 -1.26 -3.69 105.19 100.19 2kgl n GLY 154 Ca 0.06 -0.26 0.17 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 0.23 0.54 0.00 1.61 2.10 -1.92 -3.39 116.57 115.74 2kgl h LYS 155 Ca 0.00 -0.03 0.00 0.00 -2.00 0.00 0.00 60.65 58.62 2kgl h LYS 155 Cb 0.23 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 2kgl h LYS 155 CO 0.00 0.36 0.00 0.41 -2.00 0.00 0.00 179.45 178.22 2kgl n GLY 156 N -1.42 1.54 0.17 0.07 0.00 -1.26 -4.42 105.19 99.87 2kgl n GLY 156 Ca 0.23 -0.03 -0.06 0.00 0.00 0.00 0.00 46.02 46.16 2kgl n GLY 156 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 2kgl h GLY 157 N 0.00 -1.21 -1.00 -0.02 0.00 -1.93 -3.48 103.07 95.43 2kgl h GLY 157 Ca 0.00 0.57 0.00 0.00 0.00 0.00 0.00 47.33 47.90 2kgl h GLY 157 CO 0.00 -0.40 0.00 0.61 0.00 0.00 0.00 176.54 176.75 2kgl n GLY 158 N -1.17 0.54 0.26 4.60 0.00 -1.26 -5.04 105.19 103.11 2kgl n GLY 158 Ca -0.03 -0.27 -0.09 0.00 0.00 0.00 0.00 46.02 45.62 2kgl n GLY 158 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2kgl h SER 159 N 0.00 -0.51 -5.10 1.61 0.02 -1.96 -3.50 113.55 104.12 2kgl h SER 159 Ca 0.00 0.02 0.00 0.00 -0.84 0.00 0.00 61.79 60.97 2kgl h SER 159 Cb 0.47 0.13 -0.05 0.00 0.14 0.00 0.00 62.40 63.09 2kgl h SER 159 CO 0.00 -0.17 -1.23 1.17 -1.14 0.00 0.00 176.83 175.46 2kgl n LYS 160 N -4.70 -3.93 -0.01 3.45 4.81 -1.26 -5.02 118.16 111.50 2kgl n LYS 160 Ca -0.07 3.05 -0.02 0.00 -0.87 0.00 0.00 58.31 60.40 2kgl n LYS 160 Cb 0.24 -5.27 -0.01 0.00 0.02 0.00 0.00 35.03 30.00 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 1.09 0.06 -3.42 1.64 -0.58 -1.26 -4.94 120.64 113.23 2kgl n GLU 161 Ca -0.16 0.01 -0.20 0.00 -0.42 0.00 0.00 57.16 56.40 2kgl n GLU 161 Cb 0.25 -1.02 0.07 0.00 -0.57 0.00 0.00 31.44 30.16 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 -2.60 -6.68 -3.73 3.49 0.00 -1.24 -5.01 118.16 102.38 2kgl n LYS 162 Ca -0.04 0.70 -0.12 0.00 0.00 0.00 0.00 58.31 58.84 2kgl n LYS 162 Cb 0.54 -5.34 -0.11 0.00 0.00 0.00 0.00 35.03 30.13 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 -3.26 -0.40 0.87 3.14 0.01 -1.25 -5.02 114.94 109.03 2kgl s ASN 163 Ca 0.49 0.74 -0.08 0.00 -0.71 0.00 0.00 52.86 53.30 2kgl s ASN 163 Cb -0.22 0.71 0.19 0.00 0.41 0.00 0.00 41.25 42.34 2kgl s ASN 163 CO 0.61 -0.15 1.19 -1.59 -1.51 0.00 0.00 177.10 175.65 2kgl s LYS 164 N 0.62 0.92 0.05 -0.60 -2.85 -1.26 -3.95 119.74 112.67 2kgl s LYS 164 Ca -0.03 -0.91 -0.04 0.00 -1.00 0.00 0.00 55.97 53.98 2kgl s LYS 164 Cb -0.05 -2.08 -0.02 0.00 -2.06 0.00 0.00 37.83 33.62 2kgl s LYS 164 CO -0.04 -2.09 0.06 0.99 0.10 0.00 0.00 175.35 174.36 2kgl s THR 165 N -3.57 0.17 -0.01 3.79 2.01 -1.26 -5.01 115.64 111.75 2kgl s THR 165 Ca 0.73 -1.37 -0.21 0.00 0.31 0.00 0.00 61.69 61.14 2kgl s THR 165 Cb -0.03 -1.17 -0.12 0.00 0.01 0.00 0.00 72.50 71.19 2kgl s THR 165 CO 0.50 -0.76 0.89 0.11 -0.69 0.00 0.00 174.62 174.67 2kgl h LYS 166 N 3.37 -0.73 0.00 4.92 1.57 -2.00 -3.19 116.57 120.51 2kgl h LYS 166 Ca -0.33 0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.50 2kgl h LYS 166 Cb 1.17 0.17 0.00 0.00 0.08 0.00 0.00 32.23 33.65 2kgl h LYS 166 CO 0.57 -0.49 0.00 -0.35 -0.57 0.00 0.00 179.45 178.61 2kgl n PRO 167 N -5.15 0.00 -0.26 3.15 -0.04 -1.26 -3.23 135.00 128.20 2kgl n PRO 167 Ca -0.09 0.26 0.18 0.00 -0.04 0.00 0.00 63.50 63.81 2kgl n PRO 167 Cb 0.30 -1.51 0.48 0.00 -0.04 0.00 0.00 33.50 32.73 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 0.00 0.45 -0.06 0.54 4.22 -1.90 0.34 114.58 118.17 2kgl h GLU 168 Ca 0.00 -0.03 -0.15 0.00 0.08 0.00 0.00 59.36 59.27 2kgl h GLU 168 Cb 0.25 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.38 2kgl h GLU 168 CO 0.00 0.30 -0.61 0.87 -2.18 0.00 0.00 179.01 177.39 2kgl h LYS 169 N 0.46 0.22 0.11 1.92 1.79 -1.74 -2.92 116.57 116.42 2kgl h LYS 169 Ca 0.49 -0.15 -0.29 0.00 -2.18 0.00 0.00 60.65 58.52 2kgl h LYS 169 Cb 1.13 0.02 0.02 0.00 -1.58 0.00 0.00 32.23 31.82 2kgl h LYS 169 CO -0.20 0.76 -1.22 0.00 -1.08 0.00 0.00 179.45 177.71 2kgl h ALA 170 N 1.21 0.06 -0.31 3.86 0.00 -0.73 -2.84 119.26 120.50 2kgl h ALA 170 Ca -0.01 -0.79 0.02 0.00 0.00 0.00 0.00 54.91 54.14 2kgl h ALA 170 Cb 1.11 0.08 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2kgl h ALA 170 CO 0.09 0.75 0.15 -0.22 0.00 0.00 0.00 179.25 180.03 2kgl h LYS 171 N 0.23 0.31 0.00 0.00 3.64 -0.52 -1.98 116.57 118.26 2kgl h LYS 171 Ca -0.17 -0.02 -0.09 0.00 -1.27 0.00 0.00 60.65 59.10 2kgl h LYS 171 Cb 1.89 -0.07 -0.01 0.00 -0.41 0.00 0.00 32.23 33.63 2kgl h LYS 171 CO 0.22 0.21 -0.43 -0.22 -2.27 0.00 0.00 179.45 176.97 2kgl h LYS 172 N 0.32 0.00 0.00 1.90 1.63 -1.61 -2.56 116.57 116.25 2kgl h LYS 172 Ca 0.13 0.00 -0.02 0.00 -0.85 0.00 0.00 60.65 59.91 2kgl h LYS 172 Cb 0.04 0.00 -0.00 0.00 -0.60 0.00 0.00 32.23 31.67 2kgl h LYS 172 CO -0.09 0.43 -0.09 -0.22 -3.45 0.00 0.00 179.45 176.03 2kgl h LYS 173 N 0.00 0.00 0.05 1.90 1.63 -1.11 -3.15 116.57 115.89 2kgl h LYS 173 Ca -0.00 0.00 -0.00 0.00 -0.85 0.00 0.00 60.65 59.79 2kgl h LYS 173 Cb 0.75 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.39 2kgl h LYS 173 CO 0.06 0.09 -0.02 0.93 -3.45 0.00 0.00 179.45 177.05 2kgl h GLU 174 N 0.00 -0.07 0.00 1.90 5.08 -1.11 -3.43 114.58 116.95 2kgl h GLU 174 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 2kgl h GLU 174 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.50 2kgl h GLU 174 CO 0.01 -0.04 0.00 0.41 -1.00 0.00 0.00 179.01 178.39 2kgl n GLY 175 N 1.61 3.45 0.31 -3.84 0.00 -1.18 -3.90 105.19 101.63 2kgl n GLY 175 Ca -0.01 -1.57 -0.11 0.00 0.00 0.00 0.00 46.02 44.33 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 -0.62 -0.06 1.61 5.19 -1.88 -3.36 116.42 117.30 2kgl h ASP 176 Ca 0.00 0.02 -0.03 0.00 -0.62 0.00 0.00 57.03 56.41 2kgl h ASP 176 Cb 0.00 0.16 -0.00 0.00 0.18 0.00 0.00 39.33 39.67 2kgl h ASP 176 CO 0.00 -0.24 -0.06 1.55 -3.12 0.00 0.00 179.24 177.37 2kgl h PRO 177 N -1.13 0.15 -1.11 3.56 0.13 -1.94 -3.45 132.00 128.20 2kgl h PRO 177 Ca -0.07 -0.08 0.32 0.00 -0.87 0.00 0.00 66.00 65.30 2kgl h PRO 177 Cb 0.56 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 31.49 2kgl h PRO 177 CO 0.12 0.59 0.96 0.15 -0.23 0.00 0.00 178.00 179.59 2kgl s LYS 178 N -4.28 0.07 -0.95 0.86 1.02 -1.26 -5.00 119.74 110.21 2kgl s LYS 178 Ca -0.15 -0.03 -0.24 0.00 0.02 0.00 0.00 55.97 55.57 2kgl s LYS 178 Cb 0.03 0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.32 2kgl s LYS 178 CO 0.71 -0.03 1.94 -1.25 -0.92 0.00 0.00 175.35 175.80 2kgl s PRO 179 N -2.10 2.55 -0.35 -1.68 0.04 -1.25 -4.34 135.00 127.87 2kgl s PRO 179 Ca 0.12 -0.45 0.04 0.00 0.04 0.00 0.00 61.00 60.75 2kgl s PRO 179 Cb -0.01 -5.10 0.32 0.00 0.04 0.00 0.00 34.50 29.76 2kgl s PRO 179 CO -0.03 -3.48 1.34 -2.13 0.04 0.00 0.00 177.00 172.74 2kgl n ARG 180 N 8.75 0.28 0.00 4.56 0.63 -1.25 -4.99 116.66 124.64 2kgl n ARG 180 Ca 0.41 -0.90 0.00 0.00 -0.92 0.00 0.00 57.85 56.44 2kgl n ARG 180 Cb 0.47 -0.31 0.00 0.00 0.45 0.00 0.00 32.46 33.07 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 0.58 0.00 -0.35 5.13 0.00 -1.26 -4.96 120.51 119.65 2kgl n ALA 181 Ca -0.03 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.53 2kgl n ALA 181 Cb 0.74 0.00 0.31 0.00 0.00 0.00 0.00 19.45 20.51 2kgl n ALA 181 CO 0.00 0.00 0.00 0.77 0.00 0.00 0.00 177.50 178.27 2kgl h SER 182 N 0.00 0.80 -0.24 0.00 0.02 -1.83 -0.47 113.55 111.84 2kgl h SER 182 Ca 0.00 0.09 -0.16 0.00 -0.84 0.00 0.00 61.79 60.88 2kgl h SER 182 Cb 0.00 -0.06 0.00 0.00 0.14 0.00 0.00 62.40 62.48 2kgl h SER 182 CO 0.00 0.31 -0.49 0.07 -1.14 0.00 0.00 176.83 175.58 2kgl h LYS 183 N 0.80 0.75 -0.19 3.45 2.10 -1.92 -1.10 116.57 120.46 2kgl h LYS 183 Ca 0.57 -0.49 0.05 0.00 -2.00 0.00 0.00 60.65 58.78 2kgl h LYS 183 Cb 0.84 0.06 -0.06 0.00 -0.90 0.00 0.00 32.23 32.17 2kgl h LYS 183 CO -0.36 1.12 -0.25 0.93 -2.00 0.00 0.00 179.45 178.88 2kgl h GLU 184 N 0.49 -0.28 -0.33 0.07 4.39 -1.48 -0.70 114.58 116.75 2kgl h GLU 184 Ca 0.01 0.02 -0.17 0.00 0.34 0.00 0.00 59.36 59.55 2kgl h GLU 184 Cb 1.09 0.06 -0.00 0.00 -0.10 0.00 0.00 28.75 29.80 2kgl h GLU 184 CO 0.11 -0.19 -0.47 0.38 -1.16 0.00 0.00 179.01 177.68 2kgl h ASP 185 N -0.29 0.98 -1.00 1.42 3.04 -1.45 -3.10 116.42 116.01 2kgl h ASP 185 Ca 0.12 -0.49 0.17 0.00 -3.24 0.00 0.00 57.03 53.59 2kgl h ASP 185 Cb 0.47 -0.28 -0.10 0.00 -1.04 0.00 0.00 39.33 38.38 2kgl h ASP 185 CO -0.35 1.29 0.62 -1.13 -2.04 0.00 0.00 179.24 177.62 2kgl h ASN 186 N 0.71 0.82 0.60 4.15 -1.24 -0.61 0.25 115.58 120.26 2kgl h ASN 186 Ca 0.04 0.08 -0.10 0.00 0.71 0.00 0.00 56.30 57.03 2kgl h ASN 186 Cb 1.07 -0.07 -0.01 0.00 0.73 0.00 0.00 38.32 40.04 2kgl h ASN 186 CO 0.11 0.33 -0.47 0.03 -1.29 0.00 0.00 177.43 176.13 2kgl h ARG 187 N 0.82 0.00 0.00 6.67 2.47 -1.08 -3.32 114.38 119.94 2kgl h ARG 187 Ca 0.56 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.28 2kgl h ARG 187 Cb 0.80 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.12 2kgl h ARG 187 CO -0.35 0.47 0.00 0.00 0.56 0.00 0.00 179.97 180.65 2kgl n ALA 188 N -2.40 -0.42 0.00 0.04 0.00 0.87 -4.96 120.51 113.64 2kgl n ALA 188 Ca -0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.43 2kgl n ALA 188 Cb 0.52 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.97 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 -0.92 2.79 0.00 0.00 0.00 -1.10 -3.46 105.19 102.50 2kgl n GLY 189 Ca 0.00 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.55 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 1.96 -2.53 1.61 2.88 -1.26 -1.20 113.62 115.09 2kgl n SER 190 Ca 0.00 -0.99 -0.01 0.00 -1.33 0.00 0.00 58.87 56.55 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 -0.02 -2.87 -2.57 -1.46 1.74 -1.26 -3.79 116.66 106.43 2kgl n ARG 191 Ca 0.00 2.38 -0.14 0.00 -0.77 0.00 0.00 57.85 59.32 2kgl n ARG 191 Cb 0.00 -4.71 -0.00 0.00 -1.02 0.00 0.00 32.46 26.73 2kgl n ARG 191 CO 0.00 0.00 0.00 0.54 -1.52 0.00 0.00 177.63 176.65 2kgl n ARG 192 N 0.51 -2.45 0.00 5.56 1.74 -1.26 -4.77 116.66 115.99 2kgl n ARG 192 Ca 0.01 0.61 0.00 0.00 -0.77 0.00 0.00 57.85 57.70 2kgl n ARG 192 Cb 0.03 -5.24 0.00 0.00 -1.02 0.00 0.00 32.46 26.24 2kgl n ARG 192 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kgl n GLU 193 N -2.97 0.00 -3.47 5.56 2.13 -1.25 -5.06 120.64 115.59 2kgl n GLU 193 Ca -0.13 0.00 -0.19 0.00 0.66 0.00 0.00 57.16 57.50 2kgl n GLU 193 Cb 0.61 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.38 2kgl n GLU 193 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kgl n ASP 194 N -1.87 -3.62 0.00 4.31 2.03 -0.34 -4.97 116.55 112.10 2kgl n ASP 194 Ca 0.00 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.57 2kgl n ASP 194 Cb 0.00 -4.71 0.00 0.00 -0.72 0.00 0.00 41.12 35.69 2kgl n ASP 194 CO 0.00 0.00 0.00 -0.11 -1.92 0.00 0.00 177.20 175.17