#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kdx s SER 2 N 0.00 6.17 -0.56 1.61 0.01 -1.26 -4.98 113.70 114.70 2kdx s SER 2 Ca 0.00 2.37 0.04 0.00 1.31 0.00 0.00 55.95 59.67 2kdx s SER 2 Cb 0.00 -2.52 0.14 0.00 0.21 0.00 0.00 66.02 63.85 2kdx s SER 2 CO 0.00 -1.32 0.32 -0.04 0.41 0.00 0.00 173.24 172.61 2kdx s MET 3 N 4.99 2.06 0.29 12.44 1.00 -1.26 -4.99 119.30 133.83 2kdx s MET 3 Ca 0.90 -2.78 0.02 0.00 0.00 0.00 0.00 55.69 53.83 2kdx s MET 3 Cb -0.38 -3.27 0.57 0.00 0.00 0.00 0.00 34.83 31.75 2kdx s MET 3 CO 0.38 -1.16 1.86 1.25 0.00 0.00 0.00 175.02 177.35 2kdx h HIS 4 N 6.21 1.10 0.00 -0.03 -0.00 -2.00 -0.85 115.15 119.58 2kdx h HIS 4 Ca -0.01 0.03 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2kdx h HIS 4 Cb 0.86 -0.35 0.00 0.00 -0.00 0.00 0.00 27.41 27.92 2kdx h HIS 4 CO 0.56 0.46 0.00 1.05 -0.00 0.00 0.00 177.93 180.00 2kdx h GLU 5 N 0.98 0.00 -0.01 5.26 4.11 -2.03 -2.06 114.58 120.84 2kdx h GLU 5 Ca 0.47 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.90 2kdx h GLU 5 Cb 0.45 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.70 2kdx h GLU 5 CO -0.23 0.00 -0.12 0.66 0.07 0.00 0.00 179.01 179.39 2kdx n TYR 6 N -2.58 0.00 0.38 2.06 4.01 -0.41 -4.61 117.16 116.01 2kdx n TYR 6 Ca -0.01 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.55 2kdx n TYR 6 Cb 0.09 0.00 -0.09 0.00 -0.31 0.00 0.00 39.34 39.03 2kdx n TYR 6 CO 0.00 0.00 0.00 1.03 -0.46 0.00 0.00 176.86 177.43 2kdx h SER 7 N 1.23 -0.80 -0.85 7.72 0.87 -0.57 -0.63 113.55 120.52 2kdx h SER 7 Ca 0.00 0.01 0.07 0.00 -1.23 0.00 0.00 61.79 60.64 2kdx h SER 7 Cb 0.32 0.21 -0.06 0.00 -0.44 0.00 0.00 62.40 62.43 2kdx h SER 7 CO 0.00 -0.54 0.52 1.62 -0.53 0.00 0.00 176.83 177.90 2kdx h VAL 8 N -1.00 1.01 0.49 2.23 3.04 -1.84 -1.18 116.25 118.99 2kdx h VAL 8 Ca -0.10 -0.32 -0.02 0.00 -1.01 0.00 0.00 66.70 65.25 2kdx h VAL 8 Cb 0.74 0.00 0.00 0.00 -2.01 0.00 0.00 31.29 30.03 2kdx h VAL 8 CO 0.16 0.17 -0.24 0.58 -1.01 0.00 0.00 177.57 177.23 2kdx h VAL 9 N 0.92 0.00 -0.94 1.51 2.07 -1.79 -0.95 116.25 117.07 2kdx h VAL 9 Ca 0.38 -0.00 0.06 0.00 0.82 0.00 0.00 66.70 67.96 2kdx h VAL 9 Cb 0.22 0.00 -0.06 0.00 -1.52 0.00 0.00 31.29 29.93 2kdx h VAL 9 CO -0.19 0.00 0.61 -1.28 0.02 0.00 0.00 177.57 176.73 2kdx h SER 10 N -0.66 0.95 -0.29 0.57 0.87 -1.10 -2.14 113.55 111.74 2kdx h SER 10 Ca -0.07 0.01 0.01 0.00 -1.23 0.00 0.00 61.79 60.51 2kdx h SER 10 Cb 0.51 -0.20 -0.02 0.00 -0.44 0.00 0.00 62.40 62.25 2kdx h SER 10 CO 0.11 0.61 0.16 -1.28 -0.53 0.00 0.00 176.83 175.90 2kdx h SER 11 N 1.08 0.25 -0.10 6.23 0.87 -1.22 -2.48 113.55 118.19 2kdx h SER 11 Ca 0.40 0.01 0.04 0.00 -1.23 0.00 0.00 61.79 61.00 2kdx h SER 11 Cb 0.18 -0.05 -0.04 0.00 -0.44 0.00 0.00 62.40 62.05 2kdx h SER 11 CO -0.15 0.19 -0.14 -0.07 -0.53 0.00 0.00 176.83 176.13 2kdx h LEU 12 N 0.33 -0.42 -0.49 2.23 3.38 -0.53 -0.58 115.31 119.24 2kdx h LEU 12 Ca 0.11 0.08 0.07 0.00 0.09 0.00 0.00 57.88 58.23 2kdx h LEU 12 Cb 0.01 0.20 -0.06 0.00 0.09 0.00 0.00 40.66 40.90 2kdx h LEU 12 CO -0.06 -0.18 0.15 0.40 0.09 0.00 0.00 178.44 178.84 2kdx h ILE 13 N -0.18 0.81 -0.09 1.22 1.08 -1.34 0.69 117.51 119.70 2kdx h ILE 13 Ca 0.08 -0.11 -0.00 0.00 -0.39 0.00 0.00 64.86 64.44 2kdx h ILE 13 Cb 0.30 0.46 -0.00 0.00 -3.07 0.00 0.00 36.82 34.50 2kdx h ILE 13 CO -0.20 0.06 0.05 0.00 -0.69 0.00 0.00 178.15 177.36 2kdx h ALA 14 N 1.34 0.12 -0.23 1.87 0.00 -1.15 -1.71 119.26 119.50 2kdx h ALA 14 Ca 0.24 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 55.08 2kdx h ALA 14 Cb 0.27 -0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 2kdx h ALA 14 CO -0.26 -0.33 0.12 -0.07 0.00 0.00 0.00 179.25 178.71 2kdx h LEU 15 N 0.04 0.28 -0.23 0.00 -0.00 -0.82 -1.27 115.31 113.31 2kdx h LEU 15 Ca 0.03 -0.08 0.05 0.00 -0.00 0.00 0.00 57.88 57.88 2kdx h LEU 15 Cb 0.10 -0.07 -0.07 0.00 -0.00 0.00 0.00 40.66 40.62 2kdx h LEU 15 CO -0.00 0.28 -0.44 0.00 -0.00 0.00 0.00 178.44 178.28 2kdx h GLU 17 N -0.45 -0.08 -0.58 0.00 4.22 -1.22 -1.88 114.58 114.59 2kdx h GLU 17 Ca 0.09 0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.55 2kdx h GLU 17 Cb 0.62 0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 2kdx h GLU 17 CO -0.46 -0.05 0.38 1.49 -2.18 0.00 0.00 179.01 178.18 2kdx h GLU 18 N -0.08 0.75 -0.61 1.92 4.81 -0.92 -1.83 114.58 118.62 2kdx h GLU 18 Ca 0.11 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.29 2kdx h GLU 18 Cb 0.25 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.43 2kdx h GLU 18 CO -0.25 0.50 0.38 0.45 -0.73 0.00 0.00 179.01 179.35 2kdx h HIS 19 N 0.77 0.79 -0.25 0.92 3.86 -0.85 -1.88 115.15 118.51 2kdx h HIS 19 Ca 0.22 0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.42 2kdx h HIS 19 Cb -0.07 -0.26 -0.01 0.00 1.06 0.00 0.00 27.41 28.13 2kdx h HIS 19 CO -0.04 0.52 0.09 0.00 0.86 0.00 0.00 177.93 179.37 2kdx h ALA 20 N 1.20 0.33 -0.19 2.45 0.00 -0.79 -0.32 119.26 121.94 2kdx h ALA 20 Ca 0.22 -0.13 -0.07 0.00 0.00 0.00 0.00 54.91 54.93 2kdx h ALA 20 Cb -0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.63 2kdx h ALA 20 CO -0.04 -0.06 -0.20 1.57 0.00 0.00 0.00 179.25 180.52 2kdx h LYS 21 N 0.25 0.32 -0.18 0.00 2.10 -1.35 0.16 116.57 117.88 2kdx h LYS 21 Ca 0.08 -0.10 -0.17 0.00 -2.00 0.00 0.00 60.65 58.47 2kdx h LYS 21 Cb 0.20 -0.03 0.01 0.00 -0.90 0.00 0.00 32.23 31.50 2kdx h LYS 21 CO -0.01 0.51 -0.56 -0.22 -2.00 0.00 0.00 179.45 177.18 2kdx h LYS 22 N 0.30 0.69 0.00 0.07 1.63 -1.06 -2.73 116.57 115.46 2kdx h LYS 22 Ca 0.05 -0.51 0.00 0.00 -0.85 0.00 0.00 60.65 59.35 2kdx h LYS 22 Cb 0.52 0.09 0.00 0.00 -0.60 0.00 0.00 32.23 32.24 2kdx h LYS 22 CO 0.03 1.13 0.00 -1.71 -3.45 0.00 0.00 179.45 175.45 2kdx n ASN 23 N -4.12 0.00 -2.29 4.20 5.15 -0.15 -4.93 115.26 113.12 2kdx n ASN 23 Ca -0.07 -0.55 -0.15 0.00 -0.60 0.00 0.00 54.58 53.21 2kdx n ASN 23 Cb 0.63 -0.15 -0.02 0.00 -0.53 0.00 0.00 39.78 39.72 2kdx n ASN 23 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2kdx n GLN 24 N -1.15 -1.93 0.08 1.20 6.02 -0.47 -4.90 117.38 116.23 2kdx n GLN 24 Ca 0.19 0.77 -0.22 0.00 -0.01 0.00 0.00 57.00 57.73 2kdx n GLN 24 Cb 0.18 -5.35 -0.12 0.00 1.02 0.00 0.00 30.24 25.96 2kdx n GLN 24 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 2kdx h ALA 25 N 0.93 0.03 -0.21 -1.58 0.00 -1.02 -3.48 119.26 113.93 2kdx h ALA 25 Ca -0.36 -0.76 -0.05 0.00 0.00 0.00 0.00 54.91 53.74 2kdx h ALA 25 Cb 1.23 0.10 -0.02 0.00 0.00 0.00 0.00 17.79 19.10 2kdx h ALA 25 CO 0.44 0.69 -0.05 0.72 0.00 0.00 0.00 179.25 181.06 2kdx n HIS 26 N -3.80 -0.05 -3.88 0.00 8.25 -1.21 -4.91 115.22 109.62 2kdx n HIS 26 Ca -0.13 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.24 2kdx n HIS 26 Cb 0.96 -1.77 -0.08 0.00 1.12 0.00 0.00 29.99 30.23 2kdx n HIS 26 CO 0.00 0.00 0.00 0.15 0.64 0.00 0.00 176.34 177.13 2kdx s LYS 27 N -1.73 0.80 -0.01 -0.41 -0.14 -1.26 -4.63 119.74 112.36 2kdx s LYS 27 Ca 0.00 -0.97 0.00 0.00 -1.36 0.00 0.00 55.97 53.64 2kdx s LYS 27 Cb 0.00 0.32 0.02 0.00 -1.68 0.00 0.00 37.83 36.49 2kdx s LYS 27 CO 0.00 -0.24 0.02 0.42 -0.76 0.00 0.00 175.35 174.78 2kdx s ILE 28 N -3.77 -0.03 -0.15 2.17 1.01 -1.22 -4.54 121.20 114.68 2kdx s ILE 28 Ca 0.04 0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.71 2kdx s ILE 28 Cb 0.05 -0.07 -0.07 0.00 0.01 0.00 0.00 42.46 42.38 2kdx s ILE 28 CO -0.10 0.06 -0.01 -0.08 0.00 0.00 0.00 174.94 174.81 2kdx h GLU 29 N 6.89 0.00 -3.25 2.79 4.57 -1.20 -3.18 114.58 121.20 2kdx h GLU 29 Ca -0.38 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 57.80 2kdx h GLU 29 Cb 1.15 0.00 -0.08 0.00 -0.16 0.00 0.00 28.75 29.66 2kdx h GLU 29 CO 0.49 0.28 0.08 -0.98 -1.18 0.00 0.00 179.01 177.70 2kdx s ARG 30 N -2.15 1.55 -0.11 1.92 1.70 -1.09 -1.65 118.95 119.13 2kdx s ARG 30 Ca -0.16 -0.97 0.00 0.00 -0.47 0.00 0.00 55.73 54.14 2kdx s ARG 30 Cb 0.02 0.55 0.02 0.00 -0.57 0.00 0.00 34.95 34.97 2kdx s ARG 30 CO 0.29 -0.68 -0.08 0.54 -1.08 0.00 0.00 175.30 174.29 2kdx s VAL 31 N -3.91 1.05 -0.08 4.99 0.11 -0.69 -0.89 120.40 120.98 2kdx s VAL 31 Ca 0.12 -0.33 -0.27 0.00 -2.93 0.00 0.00 61.98 58.57 2kdx s VAL 31 Cb -0.03 -1.05 -0.02 0.00 -1.53 0.00 0.00 36.38 33.75 2kdx s VAL 31 CO 0.02 0.37 0.89 -0.69 -3.33 0.00 0.00 175.10 172.36 2kdx s VAL 32 N 1.53 4.90 -0.06 2.04 1.01 0.31 -0.68 120.40 129.44 2kdx s VAL 32 Ca 0.02 1.82 -0.02 0.00 0.00 0.00 0.00 61.98 63.80 2kdx s VAL 32 Cb -0.13 -4.21 0.03 0.00 0.00 0.00 0.00 36.38 32.07 2kdx s VAL 32 CO -0.06 0.12 0.04 -0.69 0.00 0.00 0.00 175.10 174.51 2kdx s VAL 33 N 1.43 0.07 -0.18 2.92 1.01 -0.21 -0.62 120.40 124.82 2kdx s VAL 33 Ca 0.45 0.28 -0.25 0.00 0.00 0.00 0.00 61.98 62.46 2kdx s VAL 33 Cb -0.19 -0.32 -0.01 0.00 0.00 0.00 0.00 36.38 35.86 2kdx s VAL 33 CO 0.20 0.19 0.82 -0.83 0.00 0.00 0.00 175.10 175.48 2kdx s GLY 34 N 2.09 2.03 -0.15 4.51 0.00 0.00 -0.66 107.32 115.15 2kdx s GLY 34 Ca 0.05 -0.01 0.02 0.00 0.00 0.00 0.00 44.72 44.77 2kdx s GLY 34 CO -0.04 1.68 -0.19 -0.42 0.00 0.00 0.00 173.10 174.12 2kdx s ILE 35 N 2.27 2.30 0.36 0.90 1.01 -0.13 -1.55 121.20 126.37 2kdx s ILE 35 Ca 0.37 -0.90 -0.28 0.00 0.00 0.00 0.00 60.65 59.84 2kdx s ILE 35 Cb -0.16 -1.94 -0.11 0.00 0.01 0.00 0.00 42.46 40.26 2kdx s ILE 35 CO 0.11 0.54 1.44 -0.83 0.00 0.00 0.00 174.94 176.20 2kdx s GLY 36 N 0.81 2.96 0.26 6.18 0.00 -1.26 -0.98 107.32 115.28 2kdx s GLY 36 Ca -0.06 1.49 0.22 0.00 0.00 0.00 0.00 44.72 46.37 2kdx s GLY 36 CO -0.01 2.17 1.68 -1.84 0.00 0.00 0.00 173.10 175.10 2kdx n GLU 37 N 0.55 0.17 -0.13 2.90 0.28 -0.16 -1.82 120.64 122.44 2kdx n GLU 37 Ca 0.01 0.47 0.04 0.00 -0.16 0.00 0.00 57.16 57.51 2kdx n GLU 37 Cb 0.40 -1.87 0.10 0.00 1.43 0.00 0.00 31.44 31.50 2kdx n GLU 37 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 177.13 177.51 2kdx n ARG 38 N -2.21 2.82 0.29 3.44 5.12 -1.26 -4.75 116.66 120.11 2kdx n ARG 38 Ca 0.01 -1.95 0.17 0.00 -1.93 0.00 0.00 57.85 54.15 2kdx n ARG 38 Cb 0.18 -1.24 0.86 0.00 -1.16 0.00 0.00 32.46 31.11 2kdx n ARG 38 CO 0.00 0.00 0.00 0.66 -1.93 0.00 0.00 177.63 176.36 2kdx h SER 39 N 1.11 0.00 -0.38 0.55 4.64 -1.44 -3.47 113.55 114.56 2kdx h SER 39 Ca 0.00 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.20 2kdx h SER 39 Cb 0.73 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.77 2kdx h SER 39 CO 0.02 0.05 -0.11 0.00 -0.87 0.00 0.00 176.83 175.93 2kdx n ALA 40 N -2.19 -0.09 -1.78 5.18 0.00 -1.26 -4.99 120.51 115.38 2kdx n ALA 40 Ca -0.02 0.10 -0.37 0.00 0.00 0.00 0.00 53.44 53.15 2kdx n ALA 40 Cb 0.20 -1.44 -0.04 0.00 0.00 0.00 0.00 19.45 18.17 2kdx n ALA 40 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.50 175.86 2kdx s MET 41 N -2.29 4.26 -0.98 0.00 -1.94 -1.26 -4.99 119.30 112.09 2kdx s MET 41 Ca 0.00 1.55 -0.23 0.00 -1.71 0.00 0.00 55.69 55.29 2kdx s MET 41 Cb 0.00 -2.66 0.02 0.00 2.01 0.00 0.00 34.83 34.21 2kdx s MET 41 CO 0.00 -0.07 1.58 -0.51 -0.01 0.00 0.00 175.02 176.01 2kdx s ASP 42 N -1.46 6.13 0.33 3.03 1.01 -1.26 -4.87 116.67 119.58 2kdx s ASP 42 Ca 0.55 -1.22 0.08 0.00 0.71 0.00 0.00 52.55 52.67 2kdx s ASP 42 Cb -0.23 -2.57 0.79 0.00 1.01 0.00 0.00 42.92 41.92 2kdx s ASP 42 CO 0.30 -1.84 1.81 0.07 0.21 0.00 0.00 175.17 175.71 2kdx h LYS 43 N 10.23 0.70 -0.13 8.23 2.10 -1.99 -0.92 116.57 134.78 2kdx h LYS 43 Ca 0.16 -0.04 -0.01 0.00 -2.00 0.00 0.00 60.65 58.76 2kdx h LYS 43 Cb 1.01 -0.16 -0.01 0.00 -0.90 0.00 0.00 32.23 32.18 2kdx h LYS 43 CO 1.37 0.46 0.05 1.03 -2.00 0.00 0.00 179.45 180.36 2kdx h SER 44 N 0.72 0.18 -0.32 7.07 0.87 -2.00 -2.26 113.55 117.80 2kdx h SER 44 Ca 0.53 -0.16 0.02 0.00 -1.23 0.00 0.00 61.79 60.95 2kdx h SER 44 Cb 0.88 -0.05 -0.02 0.00 -0.44 0.00 0.00 62.40 62.77 2kdx h SER 44 CO -0.30 0.29 0.18 0.25 -0.53 0.00 0.00 176.83 176.72 2kdx h LEU 45 N 0.05 0.28 0.19 2.23 7.12 -1.78 -1.51 115.31 121.90 2kdx h LEU 45 Ca 0.04 0.01 0.01 0.00 0.13 0.00 0.00 57.88 58.07 2kdx h LEU 45 Cb 0.17 -0.05 -0.03 0.00 -0.53 0.00 0.00 40.66 40.22 2kdx h LEU 45 CO -0.00 0.21 -0.27 0.15 -0.13 0.00 0.00 178.44 178.39 2kdx h PHE 46 N 0.37 -0.73 -0.42 1.25 3.57 -1.09 0.60 116.94 120.50 2kdx h PHE 46 Ca 0.13 0.01 0.01 0.00 3.53 0.00 0.00 57.97 61.65 2kdx h PHE 46 Cb 0.02 0.30 -0.02 0.00 2.79 0.00 0.00 35.95 39.03 2kdx h PHE 46 CO -0.08 -0.39 0.26 -0.24 -2.23 0.00 0.00 178.31 175.64 2kdx h VAL 47 N -0.53 1.08 0.00 1.41 3.04 -1.40 -1.40 116.25 118.45 2kdx h VAL 47 Ca 0.01 -0.18 -0.05 0.00 -1.01 0.00 0.00 66.70 65.47 2kdx h VAL 47 Cb 0.52 0.50 -0.01 0.00 -2.01 0.00 0.00 31.29 30.29 2kdx h VAL 47 CO -0.11 0.10 -0.22 0.77 -1.01 0.00 0.00 177.57 177.09 2kdx h SER 48 N 0.54 0.00 -0.00 3.17 4.64 -1.00 0.09 113.55 120.99 2kdx h SER 48 Ca 0.16 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.48 2kdx h SER 48 Cb -0.04 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.05 2kdx h SER 48 CO -0.05 0.22 -0.00 0.00 -0.87 0.00 0.00 176.83 176.13 2kdx h ALA 49 N 1.78 0.00 -0.21 5.18 0.00 -0.72 -2.89 119.26 122.41 2kdx h ALA 49 Ca -0.00 -0.22 0.04 0.00 0.00 0.00 0.00 54.91 54.73 2kdx h ALA 49 Cb 0.42 -0.00 -0.07 0.00 0.00 0.00 0.00 17.79 18.14 2kdx h ALA 49 CO 0.03 -0.27 -0.47 0.35 0.00 0.00 0.00 179.25 178.88 2kdx h PHE 50 N -0.43 -1.39 0.00 0.00 3.04 -0.51 -0.61 116.94 117.04 2kdx h PHE 50 Ca 0.00 0.06 -0.01 0.00 3.98 0.00 0.00 57.97 62.00 2kdx h PHE 50 Cb 0.44 0.63 -0.00 0.00 2.56 0.00 0.00 35.95 39.59 2kdx h PHE 50 CO 0.08 -0.50 -0.04 1.05 -2.02 0.00 0.00 178.31 176.88 2kdx h GLU 51 N -0.49 0.00 0.25 1.11 4.11 -1.06 -0.64 114.58 117.87 2kdx h GLU 51 Ca 0.07 0.00 -0.01 0.00 0.07 0.00 0.00 59.36 59.49 2kdx h GLU 51 Cb 0.64 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.89 2kdx h GLU 51 CO -0.46 0.04 -0.12 1.15 0.07 0.00 0.00 179.01 179.69 2kdx h THR 52 N 0.00 0.45 0.00 -1.06 2.02 -1.27 -3.35 112.91 109.70 2kdx h THR 52 Ca -0.00 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.26 2kdx h THR 52 Cb 0.34 0.76 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 2kdx h THR 52 CO 0.01 0.12 0.00 0.49 0.37 0.00 0.00 175.52 176.50 2kdx n PHE 53 N -5.00 0.00 -0.35 3.16 3.72 -0.26 -3.27 117.46 115.47 2kdx n PHE 53 Ca -0.07 0.00 0.24 0.00 -0.05 0.00 0.00 57.45 57.57 2kdx n PHE 53 Cb 0.23 -0.50 0.50 0.00 -0.94 0.00 0.00 39.48 38.77 2kdx n PHE 53 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2kdx h ARG 54 N 0.00 0.36 0.00 -1.08 3.08 -1.29 -2.35 114.38 113.10 2kdx h ARG 54 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 60.03 2kdx h ARG 54 Cb 0.22 -0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.19 2kdx h ARG 54 CO 0.00 0.24 0.00 0.39 -1.07 0.00 0.00 179.97 179.53 2kdx n GLU 55 N -4.79 0.02 0.32 0.04 1.02 -1.20 -1.34 120.64 114.70 2kdx n GLU 55 Ca 0.29 0.34 0.19 0.00 -0.02 0.00 0.00 57.16 57.96 2kdx n GLU 55 Cb 0.96 -1.50 1.06 0.00 -0.02 0.00 0.00 31.44 31.94 2kdx n GLU 55 CO 0.00 0.00 0.00 1.49 1.18 0.00 0.00 177.13 179.80 2kdx h GLU 56 N 0.00 0.00 -3.44 3.49 4.22 -1.71 -3.44 114.58 113.70 2kdx h GLU 56 Ca 0.00 0.00 -0.28 0.00 0.08 0.00 0.00 59.36 59.16 2kdx h GLU 56 Cb 0.12 0.00 -0.33 0.00 0.50 0.00 0.00 28.75 29.04 2kdx h GLU 56 CO 0.00 0.01 -0.68 -1.12 -2.18 0.00 0.00 179.01 175.04 2kdx s SER 57 N -5.58 0.00 0.16 1.04 0.01 -0.45 -5.07 113.70 103.80 2kdx s SER 57 Ca -0.04 0.13 -0.15 0.00 1.31 0.00 0.00 55.95 57.20 2kdx s SER 57 Cb 0.13 0.03 0.04 0.00 0.21 0.00 0.00 66.02 66.43 2kdx s SER 57 CO 0.47 -0.13 1.78 -0.07 0.41 0.00 0.00 173.24 175.71 2kdx h LEU 58 N 7.20 0.58 -1.47 2.44 -0.00 -1.85 -2.88 115.31 119.33 2kdx h LEU 58 Ca -0.44 -0.07 -0.03 0.00 -0.00 0.00 0.00 57.88 57.34 2kdx h LEU 58 Cb 1.13 -0.15 -0.00 0.00 -0.00 0.00 0.00 40.66 41.64 2kdx h LEU 58 CO 0.46 0.48 -0.14 -0.37 -0.00 0.00 0.00 178.44 178.87 2kdx h VAL 59 N 0.63 0.42 0.00 1.22 -1.51 -1.92 -2.99 116.25 112.10 2kdx h VAL 59 Ca 0.17 -0.80 -0.07 0.00 -1.23 0.00 0.00 66.70 64.77 2kdx h VAL 59 Cb 0.02 1.57 -0.01 0.00 -2.13 0.00 0.00 31.29 30.74 2kdx h VAL 59 CO -0.03 0.14 -0.35 0.00 -1.23 0.00 0.00 177.57 176.10 2kdx h LYS 61 N 0.00 0.00 0.00 0.00 1.57 -1.55 -0.73 116.57 115.86 2kdx h LYS 61 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2kdx h LYS 61 Cb 1.18 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.49 2kdx h LYS 61 CO 0.05 0.00 -0.39 -0.44 -0.57 0.00 0.00 179.45 178.10 2kdx h ASP 62 N 0.00 0.00 -4.23 0.86 3.32 -1.79 -3.49 116.42 111.09 2kdx h ASP 62 Ca 0.00 -0.12 -0.49 0.00 0.02 0.00 0.00 57.03 56.43 2kdx h ASP 62 Cb 0.27 0.00 0.06 0.00 0.22 0.00 0.00 39.33 39.88 2kdx h ASP 62 CO 0.00 0.06 0.38 0.00 -1.72 0.00 0.00 179.24 177.96 2kdx s ALA 63 N -3.15 2.84 0.09 3.45 0.00 -0.28 -4.71 121.76 120.00 2kdx s ALA 63 Ca 0.08 0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.36 2kdx s ALA 63 Cb 0.13 -3.18 -0.03 0.00 0.00 0.00 0.00 23.12 20.03 2kdx s ALA 63 CO 0.68 -0.72 -0.19 0.42 0.00 0.00 0.00 175.76 175.94 2kdx s ILE 64 N -2.65 1.56 -0.17 0.00 1.01 -0.66 -4.96 121.20 115.33 2kdx s ILE 64 Ca 0.61 -1.47 -0.17 0.00 0.00 0.00 0.00 60.65 59.62 2kdx s ILE 64 Cb -0.14 -1.43 -0.04 0.00 0.01 0.00 0.00 42.46 40.87 2kdx s ILE 64 CO 0.40 -0.09 0.45 -0.22 0.00 0.00 0.00 174.94 175.48 2kdx s LEU 65 N -1.83 4.19 -0.82 2.97 1.98 -1.26 -1.71 118.68 122.21 2kdx s LEU 65 Ca 0.04 0.65 -0.06 0.00 -2.89 0.00 0.00 54.13 51.87 2kdx s LEU 65 Cb -0.10 -2.61 0.21 0.00 0.66 0.00 0.00 46.19 44.34 2kdx s LEU 65 CO 0.04 -0.07 0.70 -1.81 -1.89 0.00 0.00 176.35 173.32 2kdx s ASP 66 N 0.92 6.08 0.19 3.68 1.11 0.14 -4.95 116.67 123.84 2kdx s ASP 66 Ca 0.22 -3.18 -0.30 0.00 0.18 0.00 0.00 52.55 49.47 2kdx s ASP 66 Cb -0.15 -2.00 -0.09 0.00 1.07 0.00 0.00 42.92 41.76 2kdx s ASP 66 CO 0.09 -0.35 1.32 -0.63 1.18 0.00 0.00 175.17 176.78 2kdx s ILE 67 N -0.56 3.21 -0.12 0.77 1.01 -1.26 -1.04 121.20 123.20 2kdx s ILE 67 Ca 0.22 0.98 0.02 0.00 0.00 0.00 0.00 60.65 61.87 2kdx s ILE 67 Cb -0.13 -3.63 0.01 0.00 0.01 0.00 0.00 42.46 38.73 2kdx s ILE 67 CO -0.08 0.14 -0.19 -0.69 0.00 0.00 0.00 174.94 174.12 2kdx s VAL 68 N 0.21 1.82 -0.58 2.92 1.01 0.16 -4.91 120.40 121.04 2kdx s VAL 68 Ca 0.57 -0.84 -0.27 0.00 0.00 0.00 0.00 61.98 61.44 2kdx s VAL 68 Cb -0.37 -1.63 -0.01 0.00 0.00 0.00 0.00 36.38 34.38 2kdx s VAL 68 CO 0.38 0.50 1.67 -0.62 0.00 0.00 0.00 175.10 177.03 2kdx s ASP 69 N 0.86 5.67 -0.21 3.32 2.15 -1.26 -0.96 116.67 126.24 2kdx s ASP 69 Ca -0.08 0.36 -0.25 0.00 0.43 0.00 0.00 52.55 53.01 2kdx s ASP 69 Cb -0.15 -2.54 -0.01 0.00 -0.30 0.00 0.00 42.92 39.92 2kdx s ASP 69 CO -0.01 -2.06 0.84 -1.61 -0.17 0.00 0.00 175.17 172.16 2kdx s GLU 70 N 6.32 4.24 0.33 4.34 0.41 -0.16 -4.94 118.70 129.25 2kdx s GLU 70 Ca 0.61 1.00 -0.29 0.00 -0.41 0.00 0.00 54.97 55.88 2kdx s GLU 70 Cb -0.13 -3.61 -0.11 0.00 -1.78 0.00 0.00 34.13 28.50 2kdx s GLU 70 CO 0.23 -0.44 1.56 1.63 -0.49 0.00 0.00 175.26 177.75 2kdx n LYS 71 N 5.67 2.73 -2.25 1.61 4.76 -1.26 -0.98 118.16 128.43 2kdx n LYS 71 Ca 0.05 0.96 -0.30 0.00 -2.87 0.00 0.00 58.31 56.16 2kdx n LYS 71 Cb 0.48 -2.73 0.00 0.00 -1.84 0.00 0.00 35.03 30.94 2kdx n LYS 71 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2kdx s VAL 72 N -0.49 4.78 -0.16 -0.18 0.11 -1.26 -4.30 120.40 118.90 2kdx s VAL 72 Ca 0.59 0.62 -0.12 0.00 -2.93 0.00 0.00 61.98 60.14 2kdx s VAL 72 Cb -0.48 -3.85 0.05 0.00 -1.53 0.00 0.00 36.38 30.57 2kdx s VAL 72 CO 0.55 -0.97 0.42 -0.70 -3.33 0.00 0.00 175.10 171.07 2kdx s GLU 73 N -4.87 0.45 -0.44 1.54 2.12 -0.42 -4.76 118.70 112.31 2kdx s GLU 73 Ca 0.52 0.67 0.02 0.00 0.36 0.00 0.00 54.97 56.54 2kdx s GLU 73 Cb -0.11 0.13 0.12 0.00 0.26 0.00 0.00 34.13 34.53 2kdx s GLU 73 CO 0.48 -0.10 0.19 -0.51 -0.54 0.00 0.00 175.26 174.78 2kdx s LEU 74 N 0.71 4.77 0.73 2.70 2.01 0.27 -1.62 118.68 128.24 2kdx s LEU 74 Ca -0.04 -2.49 -0.11 0.00 0.01 0.00 0.00 54.13 51.50 2kdx s LEU 74 Cb -0.05 -1.70 0.03 0.00 0.01 0.00 0.00 46.19 44.48 2kdx s LEU 74 CO -0.05 -0.36 1.07 -0.70 1.01 0.00 0.00 176.35 177.32 2kdx s GLU 75 N 0.45 2.68 0.21 1.70 2.56 -0.70 -1.73 118.70 123.86 2kdx s GLU 75 Ca 0.13 0.79 0.05 0.00 0.00 0.00 0.00 54.97 55.94 2kdx s GLU 75 Cb -0.22 -1.97 -0.03 0.00 2.00 0.00 0.00 34.13 33.90 2kdx s GLU 75 CO -0.04 -1.24 0.29 0.00 -0.56 0.00 0.00 175.26 173.70 2kdx h LYS 77 N 1.63 -1.00 -2.10 0.00 1.79 -1.94 -3.40 116.57 111.54 2kdx h LYS 77 Ca -0.50 0.07 -0.53 0.00 -2.18 0.00 0.00 60.65 57.51 2kdx h LYS 77 Cb 1.22 0.23 -0.41 0.00 -1.58 0.00 0.00 32.23 31.69 2kdx h LYS 77 CO 0.63 -0.67 -0.98 -3.47 -1.08 0.00 0.00 179.45 173.88 2kdx n ASP 78 N -4.93 2.13 0.00 0.86 2.03 -1.26 -5.06 116.55 110.32 2kdx n ASP 78 Ca -0.13 -3.24 0.00 0.00 0.52 0.00 0.00 54.79 51.94 2kdx n ASP 78 Cb 0.41 -0.60 0.00 0.00 -0.72 0.00 0.00 41.12 40.21 2kdx n ASP 78 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kdx n SER 80 N 0.00 0.00 -4.03 0.00 3.41 -1.26 -5.05 113.62 106.69 2kdx n SER 80 Ca 0.00 -1.20 -0.19 0.00 -0.26 0.00 0.00 58.87 57.22 2kdx n SER 80 Cb 0.00 -0.04 -0.15 0.00 -0.26 0.00 0.00 64.21 63.76 2kdx n SER 80 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 2kdx s HIS 81 N 0.00 0.84 -0.01 7.33 5.65 -1.26 -5.10 115.29 122.74 2kdx s HIS 81 Ca 0.00 -0.17 0.02 0.00 0.25 0.00 0.00 55.06 55.16 2kdx s HIS 81 Cb 0.00 -0.54 -0.00 0.00 -1.18 0.00 0.00 32.58 30.86 2kdx s HIS 81 CO 0.00 -0.01 -0.06 0.54 -0.65 0.00 0.00 174.74 174.56 2kdx s VAL 82 N -0.24 0.47 0.17 0.89 0.11 -1.26 -3.22 120.40 117.31 2kdx s VAL 82 Ca 0.03 -0.24 0.03 0.00 -2.93 0.00 0.00 61.98 58.88 2kdx s VAL 82 Cb -0.04 -0.41 -0.01 0.00 -1.53 0.00 0.00 36.38 34.39 2kdx s VAL 82 CO -0.00 0.14 0.11 2.22 -3.33 0.00 0.00 175.10 174.23 2kdx n PHE 83 N 3.05 -0.20 -3.88 1.54 1.16 -0.71 -4.93 117.46 113.48 2kdx n PHE 83 Ca -0.14 -1.27 -0.34 0.00 -1.87 0.00 0.00 57.45 53.83 2kdx n PHE 83 Cb 0.57 0.08 -0.05 0.00 -1.61 0.00 0.00 39.48 38.47 2kdx n PHE 83 CO 0.00 0.00 0.00 -1.59 -1.87 0.00 0.00 176.76 173.30 2kdx s LYS 84 N -2.67 3.46 0.56 3.97 0.00 -1.26 -0.57 119.74 123.23 2kdx s LYS 84 Ca 0.15 -0.27 -0.17 0.00 0.00 0.00 0.00 55.97 55.68 2kdx s LYS 84 Cb 0.01 -3.10 -0.05 0.00 0.00 0.00 0.00 37.83 34.69 2kdx s LYS 84 CO 0.11 0.68 1.05 -1.25 0.00 0.00 0.00 175.35 175.93 2kdx s PRO 85 N -1.86 3.47 0.00 1.78 0.04 -1.26 -4.95 135.00 132.23 2kdx s PRO 85 Ca 0.27 1.22 0.00 0.00 0.04 0.00 0.00 61.00 62.53 2kdx s PRO 85 Cb -0.13 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2kdx s PRO 85 CO 0.17 -0.69 0.00 0.09 0.04 0.00 0.00 177.00 176.61 2kdx n ASN 86 N -1.76 0.00 -4.59 6.66 4.13 -1.26 -5.16 115.26 113.28 2kdx n ASN 86 Ca 0.09 -0.69 -0.32 0.00 1.68 0.00 0.00 54.58 55.34 2kdx n ASN 86 Cb 0.53 0.00 0.15 0.00 -1.54 0.00 0.00 39.78 38.92 2kdx n ASN 86 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 2kdx n ALA 87 N -3.00 -1.35 0.21 5.41 0.00 -1.26 -4.71 120.51 115.81 2kdx n ALA 87 Ca 0.00 -0.56 0.14 0.00 0.00 0.00 0.00 53.44 53.02 2kdx n ALA 87 Cb 0.00 -2.07 0.75 0.00 0.00 0.00 0.00 19.45 18.13 2kdx n ALA 87 CO 0.00 0.00 0.00 1.37 0.00 0.00 0.00 177.50 178.87 2kdx h LEU 88 N -1.73 0.00 -0.60 0.00 -0.00 -2.02 -0.92 115.31 110.04 2kdx h LEU 88 Ca -0.43 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.45 2kdx h LEU 88 Cb 1.28 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.94 2kdx h LEU 88 CO 0.39 0.00 0.00 -0.67 -0.00 0.00 0.00 178.44 178.16 2kdx n ASP 89 N -4.20 0.41 -0.02 0.17 2.03 -1.26 -2.70 116.55 110.97 2kdx n ASP 89 Ca 0.00 0.63 0.01 0.00 0.52 0.00 0.00 54.79 55.95 2kdx n ASP 89 Cb 0.23 -0.70 0.02 0.00 -0.72 0.00 0.00 41.12 39.95 2kdx n ASP 89 CO 0.00 0.00 0.00 -1.22 -1.92 0.00 0.00 177.20 174.06 2kdx n TYR 90 N -1.98 0.00 0.53 -0.67 4.01 -0.36 -4.79 117.16 113.90 2kdx n TYR 90 Ca 0.01 -0.48 0.10 0.00 -0.16 0.00 0.00 57.90 57.37 2kdx n TYR 90 Cb 0.15 -0.06 0.42 0.00 -0.31 0.00 0.00 39.34 39.54 2kdx n TYR 90 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 2kdx n GLY 91 N -0.54 -1.22 3.76 2.72 0.00 -1.10 -4.78 105.19 104.03 2kdx n GLY 91 Ca 0.02 -0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.69 2kdx n GLY 91 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kdx s VAL 92 N -3.12 2.88 0.30 1.61 -7.23 -1.26 -4.55 120.40 109.03 2kdx s VAL 92 Ca 0.07 0.51 -0.29 0.00 -1.81 0.00 0.00 61.98 60.46 2kdx s VAL 92 Cb 0.11 -3.14 -0.10 0.00 0.56 0.00 0.00 36.38 33.80 2kdx s VAL 92 CO 0.37 -0.16 1.43 0.00 -0.31 0.00 0.00 175.10 176.43 2kdx h GLU 94 N 4.21 0.00 0.01 0.00 -0.00 -1.93 -3.26 114.58 113.61 2kdx h GLU 94 Ca -0.48 0.00 -0.00 0.00 -0.00 0.00 0.00 59.36 58.88 2kdx h GLU 94 Cb 1.22 0.00 0.00 0.00 -0.00 0.00 0.00 28.75 29.97 2kdx h GLU 94 CO 0.72 0.00 -0.00 0.87 -0.00 0.00 0.00 179.01 180.60 2kdx h LYS 95 N 0.00 -0.01 -4.80 1.06 1.57 -1.96 -3.46 116.57 108.97 2kdx h LYS 95 Ca 0.00 0.00 -0.67 0.00 -1.87 0.00 0.00 60.65 58.11 2kdx h LYS 95 Cb 0.88 0.00 -0.38 0.00 0.08 0.00 0.00 32.23 32.82 2kdx h LYS 95 CO 0.00 0.44 -0.76 0.00 -0.57 0.00 0.00 179.45 178.56 2kdx n HIS 97 N 4.39 2.20 -3.91 0.00 8.25 -1.23 -3.59 115.22 121.32 2kdx n HIS 97 Ca -0.08 -2.07 -0.10 0.00 -0.26 0.00 0.00 57.72 55.21 2kdx n HIS 97 Cb 0.42 -1.89 -0.10 0.00 1.12 0.00 0.00 29.99 29.54 2kdx n HIS 97 CO 0.00 0.00 0.00 -1.12 0.64 0.00 0.00 176.34 175.86 2kdx s SER 98 N 4.52 0.12 -0.05 0.41 0.01 -1.26 -4.92 113.70 112.53 2kdx s SER 98 Ca 0.54 -0.38 0.05 0.00 1.31 0.00 0.00 55.95 57.48 2kdx s SER 98 Cb 0.14 0.19 0.24 0.00 0.21 0.00 0.00 66.02 66.81 2kdx s SER 98 CO 0.07 -0.40 0.98 0.29 0.41 0.00 0.00 173.24 174.58 2kdx n LYS 99 N 1.25 2.03 0.00 12.44 5.02 -1.26 -1.52 118.16 136.13 2kdx n LYS 99 Ca -0.22 -0.95 0.07 0.00 -2.02 0.00 0.00 58.31 55.19 2kdx n LYS 99 Cb 0.56 -1.58 0.38 0.00 -0.02 0.00 0.00 35.03 34.38 2kdx n LYS 99 CO 0.00 0.00 0.00 0.27 -0.52 0.00 0.00 177.40 177.15 2kdx n ASN 100 N 0.20 0.00 -4.57 4.39 6.94 -1.26 -4.91 115.26 116.04 2kdx n ASN 100 Ca 0.09 0.01 -0.40 0.00 -0.02 0.00 0.00 54.58 54.25 2kdx n ASN 100 Cb 0.45 -0.25 0.03 0.00 -2.36 0.00 0.00 39.78 37.64 2kdx n ASN 100 CO 0.00 0.00 0.00 1.33 -1.03 0.00 0.00 177.26 177.56 2kdx n VAL 101 N -1.25 2.66 -4.26 3.53 0.24 -1.26 -4.46 118.33 113.54 2kdx n VAL 101 Ca 0.08 -0.50 -0.21 0.00 -2.04 0.00 0.00 64.34 61.67 2kdx n VAL 101 Cb 0.11 -1.02 -0.12 0.00 -1.47 0.00 0.00 33.84 31.35 2kdx n VAL 101 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 2kdx s ILE 102 N -1.43 1.49 -0.61 1.34 -0.00 0.37 -4.97 121.20 117.39 2kdx s ILE 102 Ca 0.67 -1.60 -0.28 0.00 -0.00 0.00 0.00 60.65 59.44 2kdx s ILE 102 Cb -0.51 -1.49 0.03 0.00 -0.00 0.00 0.00 42.46 40.49 2kdx s ILE 102 CO 0.54 -0.24 1.20 -0.63 -0.00 0.00 0.00 174.94 175.81 2kdx s ILE 103 N -1.62 3.98 -0.83 8.37 1.09 -1.26 -1.72 121.20 129.20 2kdx s ILE 103 Ca 0.07 0.81 0.25 0.00 -1.10 0.00 0.00 60.65 60.67 2kdx s ILE 103 Cb -0.08 -4.76 0.04 0.00 -1.06 0.00 0.00 42.46 36.60 2kdx s ILE 103 CO 0.04 -1.42 1.40 1.07 -0.10 0.00 0.00 174.94 175.92 2kdx n THR 104 N 6.61 0.16 -3.66 2.92 5.66 -0.64 -4.59 114.28 120.74 2kdx n THR 104 Ca 0.07 -0.13 -0.07 0.00 -3.05 0.00 0.00 64.05 60.87 2kdx n THR 104 Cb 0.49 0.03 -0.08 0.00 -1.55 0.00 0.00 70.33 69.22 2kdx n THR 104 CO 0.00 0.00 0.00 -1.58 -3.05 0.00 0.00 175.07 170.44 2kdx s GLN 105 N -3.08 0.50 0.00 1.09 2.00 -1.22 -4.85 119.66 114.10 2kdx s GLN 105 Ca 0.09 1.10 0.00 0.00 -2.00 0.00 0.00 55.36 54.55 2kdx s GLN 105 Cb 0.16 0.29 0.00 0.00 0.80 0.00 0.00 33.01 34.25 2kdx s GLN 105 CO 0.70 -0.19 0.00 0.41 -0.50 0.00 0.00 175.29 175.71 2kdx n GLY 106 N 4.79 0.71 0.07 2.59 0.00 -1.26 -1.31 105.19 110.78 2kdx n GLY 106 Ca -0.17 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.73 2kdx n GLY 106 CO 0.00 0.00 0.00 -0.57 0.00 0.00 0.00 173.32 172.75 2kdx h ASN 107 N 0.00 0.08 -3.98 1.61 -0.73 -1.89 -3.31 115.58 107.37 2kdx h ASN 107 Ca 0.00 -0.26 -0.36 0.00 1.87 0.00 0.00 56.30 57.55 2kdx h ASN 107 Cb 0.00 -0.02 -0.14 0.00 0.27 0.00 0.00 38.32 38.42 2kdx h ASN 107 CO 0.00 0.32 -0.67 -1.61 -0.37 0.00 0.00 177.43 175.11 2kdx s GLU 108 N -5.16 1.25 0.40 6.67 2.02 -1.26 -4.66 118.70 117.96 2kdx s GLU 108 Ca -0.14 -1.61 -0.08 0.00 0.02 0.00 0.00 54.97 53.15 2kdx s GLU 108 Cb 0.04 -0.57 -0.06 0.00 0.10 0.00 0.00 34.13 33.65 2kdx s GLU 108 CO 0.68 -0.07 0.73 0.00 0.02 0.00 0.00 175.26 176.62 2kdx s MET 109 N -3.85 3.71 -0.01 1.61 0.23 -1.26 -4.46 119.30 115.27 2kdx s MET 109 Ca 0.26 0.33 -0.13 0.00 -1.03 0.00 0.00 55.69 55.12 2kdx s MET 109 Cb 0.05 -2.44 0.02 0.00 -1.53 0.00 0.00 34.83 30.93 2kdx s MET 109 CO 0.06 -0.02 0.26 1.03 -2.03 0.00 0.00 175.02 174.33 2kdx s ARG 110 N -3.95 0.62 0.61 3.16 0.52 -0.59 -5.02 118.95 114.29 2kdx s ARG 110 Ca 0.49 -0.24 -0.18 0.00 -0.52 0.00 0.00 55.73 55.28 2kdx s ARG 110 Cb -0.10 0.27 -0.02 0.00 0.52 0.00 0.00 34.95 35.61 2kdx s ARG 110 CO 0.33 -0.16 1.18 -0.48 0.02 0.00 0.00 175.30 176.19 2kdx s LEU 111 N -1.33 3.59 0.01 2.53 2.34 -1.26 -0.82 118.68 123.75 2kdx s LEU 111 Ca -0.14 2.30 -0.05 0.00 0.06 0.00 0.00 54.13 56.31 2kdx s LEU 111 Cb -0.06 -4.59 -0.02 0.00 -0.56 0.00 0.00 46.19 40.97 2kdx s LEU 111 CO 0.03 -1.64 -0.09 0.18 -1.06 0.00 0.00 176.35 173.78 2kdx n LEU 112 N -1.81 1.16 -3.95 1.48 4.32 0.21 -4.83 117.00 113.58 2kdx n LEU 112 Ca 0.13 0.17 -0.09 0.00 -0.02 0.00 0.00 56.01 56.19 2kdx n LEU 112 Cb 0.50 -0.41 -0.06 0.00 -1.62 0.00 0.00 43.42 41.83 2kdx n LEU 112 CO 0.45 -0.60 0.10 -0.44 -1.22 0.00 0.00 177.39 175.68 2kdx s SER 113 N -5.78 -0.06 0.25 -1.43 0.01 -1.19 -5.01 113.70 100.49 2kdx s SER 113 Ca -0.07 -0.85 0.05 0.00 1.31 0.00 0.00 55.95 56.39 2kdx s SER 113 Cb 0.01 0.51 -0.05 0.00 0.21 0.00 0.00 66.02 66.70 2kdx s SER 113 CO 0.11 -1.01 -0.04 -0.76 0.41 0.00 0.00 173.24 171.95 2kdx s LEU 114 N -2.98 2.35 -0.01 2.44 1.02 -1.26 -0.53 118.68 119.71 2kdx s LEU 114 Ca 0.19 -1.19 0.03 0.00 0.02 0.00 0.00 54.13 53.18 2kdx s LEU 114 Cb 0.01 -0.45 -0.01 0.00 0.02 0.00 0.00 46.19 45.77 2kdx s LEU 114 CO 0.03 -0.42 -0.11 -1.61 0.02 0.00 0.00 176.35 174.26 2kdx s GLU 115 N -3.79 0.90 -0.09 1.70 0.41 -0.07 -4.98 118.70 112.77 2kdx s GLU 115 Ca 0.28 -0.42 -0.01 0.00 -0.41 0.00 0.00 54.97 54.42 2kdx s GLU 115 Cb 0.04 -0.87 0.03 0.00 -1.78 0.00 0.00 34.13 31.55 2kdx s GLU 115 CO 0.10 0.24 -0.04 -1.64 -0.49 0.00 0.00 175.26 173.42 2kdx s MET 116 N -0.31 1.12 -0.05 1.61 -1.94 -1.26 -0.70 119.30 117.76 2kdx s MET 116 Ca 0.04 -0.09 -0.30 0.00 -1.71 0.00 0.00 55.69 53.63 2kdx s MET 116 Cb -0.04 -1.31 -0.05 0.00 2.01 0.00 0.00 34.83 35.43 2kdx s MET 116 CO -0.00 -0.28 1.56 -1.17 -0.01 0.00 0.00 175.02 175.11 2kdx s LEU 117 N 1.81 4.30 0.50 -0.03 2.96 -1.26 -4.88 118.68 122.07 2kdx s LEU 117 Ca 0.05 2.15 0.26 0.00 -0.22 0.00 0.00 54.13 56.37 2kdx s LEU 117 Cb -0.12 -3.54 1.28 0.00 0.50 0.00 0.00 46.19 44.30 2kdx s LEU 117 CO -0.07 -0.87 1.99 0.00 -1.32 0.00 0.00 176.35 176.09 2kdx h ALA 118 N 8.98 1.18 0.00 5.97 0.00 -1.95 -3.45 119.26 129.99 2kdx h ALA 118 Ca -0.37 -0.14 0.00 0.00 0.00 0.00 0.00 54.91 54.39 2kdx h ALA 118 Cb 1.17 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.93 2kdx h ALA 118 CO 0.95 0.20 0.00 -1.91 0.00 0.00 0.00 179.25 178.48