#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcd s THR 2 N 0.00 5.18 0.22 2.03 -4.23 -1.26 -4.95 115.64 112.63 2kcd s THR 2 Ca 0.00 -0.01 -0.06 0.00 -1.18 0.00 0.00 61.69 60.44 2kcd s THR 2 Cb 0.00 -3.82 0.12 0.00 1.34 0.00 0.00 72.50 70.13 2kcd s THR 2 CO 0.00 -0.10 1.73 -0.07 -0.54 0.00 0.00 174.62 175.64 2kcd h LEU 3 N 8.73 0.98 -0.20 4.79 3.38 -2.05 -2.17 115.31 128.77 2kcd h LEU 3 Ca -0.30 -0.22 0.05 0.00 0.09 0.00 0.00 57.88 57.50 2kcd h LEU 3 Cb 1.14 -0.26 -0.05 0.00 0.09 0.00 0.00 40.66 41.58 2kcd h LEU 3 CO 0.69 0.97 -0.12 -0.33 0.09 0.00 0.00 178.44 179.75 2kcd h GLU 4 N 0.97 -0.10 -0.61 1.13 5.08 -1.99 0.50 114.58 119.56 2kcd h GLU 4 Ca 0.20 0.01 -0.06 0.00 -1.00 0.00 0.00 59.36 58.50 2kcd h GLU 4 Cb 0.40 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.65 2kcd h GLU 4 CO 0.01 -0.07 0.15 1.25 -1.00 0.00 0.00 179.01 179.35 2kcd h LEU 5 N -0.10 0.93 -1.05 1.33 5.85 -1.96 -2.64 115.31 117.66 2kcd h LEU 5 Ca 0.11 -0.23 -0.05 0.00 0.84 0.00 0.00 57.88 58.55 2kcd h LEU 5 Cb 0.27 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.03 2kcd h LEU 5 CO -0.26 0.92 0.11 -0.61 -0.34 0.00 0.00 178.44 178.26 2kcd h GLN 6 N 0.89 0.79 -0.45 1.25 4.15 -0.68 -2.25 115.11 118.81 2kcd h GLN 6 Ca 0.19 -0.16 -0.02 0.00 0.77 0.00 0.00 58.65 59.42 2kcd h GLN 6 Cb 0.36 -0.12 -0.02 0.00 0.21 0.00 0.00 27.48 27.91 2kcd h GLN 6 CO 0.00 0.72 0.19 1.25 -1.93 0.00 0.00 178.83 179.06 2kcd h LEU 7 N 0.76 0.62 -0.90 -2.39 5.85 0.32 0.48 115.31 120.05 2kcd h LEU 7 Ca 0.17 -0.16 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2kcd h LEU 7 Cb 0.30 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.14 2kcd h LEU 7 CO 0.00 0.61 0.22 0.11 -0.34 0.00 0.00 178.44 179.04 2kcd h LYS 8 N 0.59 1.03 -0.10 1.25 1.57 -1.20 0.22 116.57 119.92 2kcd h LYS 8 Ca 0.15 -0.20 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 2kcd h LYS 8 Cb 0.18 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.34 2kcd h LYS 8 CO -0.01 0.87 -0.43 1.25 -0.57 0.00 0.00 179.45 180.56 2kcd h HIS 9 N 0.99 0.62 -0.05 -1.35 2.76 -1.04 -1.92 115.15 115.16 2kcd h HIS 9 Ca 0.22 -0.27 -0.01 0.00 -2.20 0.00 0.00 60.37 58.12 2kcd h HIS 9 Cb 0.27 -0.10 -0.00 0.00 1.55 0.00 0.00 27.41 29.13 2kcd h HIS 9 CO 0.02 1.03 0.01 -0.92 -1.30 0.00 0.00 177.93 176.77 2kcd h TYR 10 N 0.04 0.09 -0.73 5.26 3.20 0.18 -1.75 116.97 123.27 2kcd h TYR 10 Ca -0.03 -0.01 -0.06 0.00 3.14 0.00 0.00 58.73 61.77 2kcd h TYR 10 Cb 1.07 -0.02 -0.03 0.00 1.54 0.00 0.00 36.73 39.28 2kcd h TYR 10 CO 0.12 0.32 0.22 0.97 -1.64 0.00 0.00 178.16 178.14 2kcd h ILE 11 N -0.17 1.26 -0.49 1.81 2.10 -0.66 -1.84 117.51 119.53 2kcd h ILE 11 Ca 0.02 -0.92 -0.02 0.00 1.08 0.00 0.00 64.86 65.02 2kcd h ILE 11 Cb 0.28 0.47 -0.02 0.00 -1.09 0.00 0.00 36.82 36.45 2kcd h ILE 11 CO 0.00 0.36 0.24 0.71 -1.08 0.00 0.00 178.15 178.38 2kcd h THR 12 N 1.09 1.18 -0.37 2.19 1.35 -1.26 -2.36 112.91 114.74 2kcd h THR 12 Ca 0.23 -0.51 -0.07 0.00 -0.55 0.00 0.00 66.41 65.51 2kcd h THR 12 Cb 0.32 0.63 -0.02 0.00 -1.73 0.00 0.00 68.15 67.35 2kcd h THR 12 CO -0.01 0.20 -0.06 0.78 -0.25 0.00 0.00 175.52 176.18 2kcd h ASN 13 N 0.64 0.59 -0.52 5.36 -0.26 -1.08 0.95 115.58 121.26 2kcd h ASN 13 Ca 0.17 -0.14 -0.01 0.00 -0.56 0.00 0.00 56.30 55.75 2kcd h ASN 13 Cb 0.10 -0.16 -0.02 0.00 -1.06 0.00 0.00 38.32 37.18 2kcd h ASN 13 CO -0.02 0.70 0.27 0.25 -1.06 0.00 0.00 177.43 177.57 2kcd h LEU 14 N 0.57 0.66 -2.30 1.61 7.12 -0.84 -2.51 115.31 119.63 2kcd h LEU 14 Ca 0.11 -0.10 0.00 0.00 0.13 0.00 0.00 57.88 58.02 2kcd h LEU 14 Cb 0.46 -0.17 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 2kcd h LEU 14 CO 0.02 0.57 0.00 0.49 -0.13 0.00 0.00 178.44 179.40 2kcd n PHE 15 N -4.62 0.50 -3.00 1.25 3.72 -0.96 -4.94 117.46 109.40 2kcd n PHE 15 Ca 0.02 -0.25 -0.22 0.00 -0.05 0.00 0.00 57.45 56.95 2kcd n PHE 15 Cb 0.09 0.00 0.02 0.00 -0.94 0.00 0.00 39.48 38.66 2kcd n PHE 15 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 2kcd n ASN 16 N 1.47 -5.54 -4.88 4.37 3.02 0.29 -4.97 115.26 109.03 2kcd n ASN 16 Ca 0.19 -0.26 -0.33 0.00 -0.03 0.00 0.00 54.58 54.15 2kcd n ASN 16 Cb 0.60 -4.51 -0.05 0.00 -0.61 0.00 0.00 39.78 35.21 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2kcd s LEU 17 N -6.55 4.30 0.35 3.41 1.43 0.81 -4.96 118.68 117.47 2kcd s LEU 17 Ca 0.28 0.76 -0.28 0.00 -1.03 0.00 0.00 54.13 53.86 2kcd s LEU 17 Cb -0.13 -3.20 -0.10 0.00 0.03 0.00 0.00 46.19 42.79 2kcd s LEU 17 CO 0.35 0.09 1.31 -2.16 0.23 0.00 0.00 176.35 176.17 2kcd s PRO 18 N -2.28 4.27 0.00 1.29 0.04 -1.26 -4.56 135.00 132.50 2kcd s PRO 18 Ca 0.38 2.21 0.26 0.00 0.04 0.00 0.00 61.00 63.88 2kcd s PRO 18 Cb -0.13 -3.00 0.57 0.00 0.04 0.00 0.00 34.50 31.98 2kcd s PRO 18 CO 0.21 -0.26 1.46 2.89 0.04 0.00 0.00 177.00 181.34 2kcd n ARG 19 N 0.64 1.68 0.00 4.56 1.85 -1.26 -3.89 116.66 120.24 2kcd n ARG 19 Ca 0.01 -1.20 0.16 0.00 -1.00 0.00 0.00 57.85 55.81 2kcd n ARG 19 Cb 0.42 -1.48 0.86 0.00 -1.05 0.00 0.00 32.46 31.21 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kcd n ASP 20 N 0.39 0.24 -4.75 2.89 8.00 -1.26 -4.82 116.55 117.23 2kcd n ASP 20 Ca 0.15 -0.98 -0.40 0.00 0.71 0.00 0.00 54.79 54.27 2kcd n ASP 20 Cb 0.45 -0.03 -0.06 0.00 -0.02 0.00 0.00 41.12 41.47 2kcd n ASP 20 CO 0.00 0.00 0.00 -1.61 -0.39 0.00 0.00 177.20 175.20 2kcd s GLU 21 N -2.07 4.73 0.14 -1.24 0.41 -1.25 -5.01 118.70 114.41 2kcd s GLU 21 Ca 0.44 1.36 -0.30 0.00 -0.41 0.00 0.00 54.97 56.06 2kcd s GLU 21 Cb 0.22 -3.29 -0.07 0.00 -1.78 0.00 0.00 34.13 29.20 2kcd s GLU 21 CO 0.38 0.48 1.22 0.21 -0.49 0.00 0.00 175.26 177.05 2kcd s LYS 22 N -0.93 4.46 0.06 1.61 2.20 -1.26 -5.03 119.74 120.85 2kcd s LYS 22 Ca 0.40 1.86 0.02 0.00 -0.36 0.00 0.00 55.97 57.89 2kcd s LYS 22 Cb -0.24 -3.27 -0.04 0.00 -1.51 0.00 0.00 37.83 32.76 2kcd s LYS 22 CO 0.30 -0.17 0.13 -1.58 -0.36 0.00 0.00 175.35 173.66 2kcd s TRP 23 N 0.39 3.32 -0.26 4.03 0.52 -1.26 -4.69 118.94 120.99 2kcd s TRP 23 Ca 0.56 0.16 -0.06 0.00 0.02 0.00 0.00 56.10 56.77 2kcd s TRP 23 Cb -0.32 -1.68 -0.01 0.00 -1.15 0.00 0.00 33.47 30.31 2kcd s TRP 23 CO 0.34 0.55 0.04 -2.00 0.02 0.00 0.00 176.95 175.90 2kcd s GLU 24 N -2.35 3.38 -0.15 4.98 2.56 -0.91 -4.95 118.70 121.26 2kcd s GLU 24 Ca 0.30 -0.65 -0.29 0.00 0.00 0.00 0.00 54.97 54.33 2kcd s GLU 24 Cb -0.12 -3.25 -0.01 0.00 2.00 0.00 0.00 34.13 32.75 2kcd s GLU 24 CO 0.23 -0.28 1.05 0.00 -0.56 0.00 0.00 175.26 175.70 2kcd s GLU 26 N 2.51 1.24 -0.21 0.00 2.12 -0.92 -5.02 118.70 118.42 2kcd s GLU 26 Ca 0.48 -0.81 -0.12 0.00 0.36 0.00 0.00 54.97 54.88 2kcd s GLU 26 Cb -0.18 -2.41 -0.05 0.00 0.26 0.00 0.00 34.13 31.75 2kcd s GLU 26 CO 0.14 -0.64 0.22 0.45 -0.54 0.00 0.00 175.26 174.90 2kcd s SER 27 N 1.56 6.26 0.03 -1.70 0.15 -1.26 -1.88 113.70 116.86 2kcd s SER 27 Ca -0.03 0.29 0.01 0.00 0.70 0.00 0.00 55.95 56.93 2kcd s SER 27 Cb -0.18 -2.14 -0.02 0.00 -1.71 0.00 0.00 66.02 61.96 2kcd s SER 27 CO -0.08 0.07 -0.06 0.27 1.20 0.00 0.00 173.24 174.65 2kcd s ILE 28 N 0.82 0.38 -0.21 6.45 -4.36 -0.34 -5.02 121.20 118.92 2kcd s ILE 28 Ca 0.12 -1.02 -0.13 0.00 -0.26 0.00 0.00 60.65 59.35 2kcd s ILE 28 Cb -0.13 -0.48 -0.04 0.00 1.25 0.00 0.00 42.46 43.05 2kcd s ILE 28 CO 0.03 -0.43 0.28 -0.70 0.24 0.00 0.00 174.94 174.37 2kcd s GLU 29 N -1.55 4.14 0.04 0.37 2.12 -1.26 -1.62 118.70 120.94 2kcd s GLU 29 Ca -0.12 -0.01 -0.04 0.00 0.36 0.00 0.00 54.97 55.16 2kcd s GLU 29 Cb -0.10 -3.52 -0.02 0.00 0.26 0.00 0.00 34.13 30.75 2kcd s GLU 29 CO -0.00 0.04 0.06 -2.00 -0.54 0.00 0.00 175.26 172.82 2kcd s GLU 30 N 1.08 0.56 0.24 4.30 2.12 -1.11 -4.96 118.70 120.93 2kcd s GLU 30 Ca 0.14 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 2kcd s GLU 30 Cb -0.14 0.21 -0.09 0.00 0.26 0.00 0.00 34.13 34.37 2kcd s GLU 30 CO 0.06 -0.13 1.19 0.08 -0.54 0.00 0.00 175.26 175.92 2kcd s VAL 31 N -2.69 3.39 0.32 3.70 1.01 -1.26 -2.14 120.40 122.73 2kcd s VAL 31 Ca -0.04 1.26 0.01 0.00 0.00 0.00 0.00 61.98 63.21 2kcd s VAL 31 Cb -0.01 -3.80 0.22 0.00 0.00 0.00 0.00 36.38 32.79 2kcd s VAL 31 CO -0.05 0.25 1.94 0.00 0.00 0.00 0.00 175.10 177.24 2kcd h ALA 32 N 4.54 1.42 0.00 5.51 0.00 -1.67 -0.88 119.26 128.18 2kcd h ALA 32 Ca -0.46 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kcd h ALA 32 Cb 1.21 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.76 2kcd h ALA 32 CO 0.71 0.47 0.00 -0.40 0.00 0.00 0.00 179.25 180.03 2kcd n ASP 33 N -4.37 0.00 0.04 0.00 5.75 -1.26 0.10 116.55 116.81 2kcd n ASP 33 Ca 0.05 -0.02 0.07 0.00 -0.01 0.00 0.00 54.79 54.88 2kcd n ASP 33 Cb 0.11 -0.24 -0.08 0.00 -1.03 0.00 0.00 41.12 39.88 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kcd n ASP 34 N -1.24 0.54 -0.01 -1.12 2.03 -0.34 -4.36 116.55 112.04 2kcd n ASP 34 Ca 0.08 0.22 0.01 0.00 0.52 0.00 0.00 54.79 55.62 2kcd n ASP 34 Cb 0.12 0.87 -0.05 0.00 -0.72 0.00 0.00 41.12 41.34 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 -1.92 0.00 0.00 177.20 177.58 2kcd n ILE 35 N -2.62 0.16 -3.69 5.18 -5.35 -0.82 -4.91 119.36 107.31 2kcd n ILE 35 Ca -0.06 -0.18 -0.38 0.00 -0.27 0.00 0.00 62.75 61.85 2kcd n ILE 35 Cb 0.68 -0.16 -0.11 0.00 -1.74 0.00 0.00 39.64 38.31 2kcd n ILE 35 CO 0.00 0.00 0.00 -0.76 -1.76 0.00 0.00 176.55 174.03 2kcd s LEU 36 N -3.84 4.96 1.02 7.28 1.43 0.29 -5.07 118.68 124.74 2kcd s LEU 36 Ca -0.02 -1.57 -0.19 0.00 -1.03 0.00 0.00 54.13 51.32 2kcd s LEU 36 Cb 0.03 -1.91 -0.04 0.00 0.03 0.00 0.00 46.19 44.31 2kcd s LEU 36 CO 0.24 -0.49 -0.41 -2.65 0.23 0.00 0.00 176.35 173.27 2kcd n PRO 37 N 4.80 -0.56 -0.17 1.29 -0.02 -1.26 -4.38 135.00 134.70 2kcd n PRO 37 Ca -0.09 -0.15 -0.04 0.00 -2.02 0.00 0.00 63.50 61.21 2kcd n PRO 37 Cb 0.43 -1.43 0.06 0.00 -0.02 0.00 0.00 33.50 32.53 2kcd n PRO 37 CO 0.00 0.00 0.00 0.22 1.98 0.00 0.00 175.50 177.70 2kcd h ASP 38 N -1.47 0.36 -0.07 2.55 3.58 -1.96 0.62 116.42 120.04 2kcd h ASP 38 Ca -0.46 0.03 0.02 0.00 0.42 0.00 0.00 57.03 57.05 2kcd h ASP 38 Cb 1.34 -0.03 -0.00 0.00 1.72 0.00 0.00 39.33 42.35 2kcd h ASP 38 CO 0.30 0.25 0.27 0.06 -2.88 0.00 0.00 179.24 177.24 2kcd h GLN 39 N 0.50 0.00 -0.31 0.28 3.07 -1.98 1.79 115.11 118.46 2kcd h GLN 39 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.97 2kcd h GLN 39 Cb 0.15 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.71 2kcd h GLN 39 CO -0.17 0.00 0.00 0.66 0.09 0.00 0.00 178.83 179.41 2kcd n TYR 40 N -3.15 0.41 0.00 0.06 4.01 0.09 -4.73 117.16 113.85 2kcd n TYR 40 Ca -0.01 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.33 2kcd n TYR 40 Cb 0.34 -0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.35 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 2kcd n VAL 41 N 0.62 0.00 0.00 -0.72 0.31 0.15 -4.86 118.33 113.83 2kcd n VAL 41 Ca 0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.45 2kcd n VAL 41 Cb 0.41 -0.51 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 2kcd n VAL 41 CO 0.00 0.00 0.00 -2.11 -1.32 0.00 0.00 176.83 173.40 2kcd n ARG 42 N -2.52 0.00 0.00 5.55 1.85 0.56 0.24 116.66 122.35 2kcd n ARG 42 Ca 0.00 0.00 0.14 0.00 -1.00 0.00 0.00 57.85 56.99 2kcd n ARG 42 Cb 0.01 0.00 0.62 0.00 -1.05 0.00 0.00 32.46 32.04 2kcd n ARG 42 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 2kcd n LEU 43 N 0.00 0.95 -4.12 2.89 4.32 -1.26 -4.71 117.00 115.07 2kcd n LEU 43 Ca 0.00 -0.29 -0.36 0.00 -0.02 0.00 0.00 56.01 55.35 2kcd n LEU 43 Cb 0.00 -0.04 0.07 0.00 -1.62 0.00 0.00 43.42 41.83 2kcd n LEU 43 CO 0.00 0.16 -1.19 0.61 -1.22 0.00 0.00 177.39 175.75 2kcd n GLY 44 N 1.16 -3.48 0.05 -0.72 0.00 0.68 -4.77 105.19 98.11 2kcd n GLY 44 Ca 0.19 -0.62 0.10 0.00 0.00 0.00 0.00 46.02 45.68 2kcd n GLY 44 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 2kcd n PRO 45 N 1.11 0.09 0.00 1.61 -0.04 -1.26 -2.04 135.00 134.47 2kcd n PRO 45 Ca 0.00 0.30 0.15 0.00 -0.04 0.00 0.00 63.50 63.91 2kcd n PRO 45 Cb 0.61 -1.66 0.73 0.00 -0.04 0.00 0.00 33.50 33.15 2kcd n PRO 45 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcd n LEU 46 N -1.82 0.45 -4.76 1.53 4.77 -1.26 -4.62 117.00 111.29 2kcd n LEU 46 Ca 0.03 -0.07 -0.41 0.00 -0.03 0.00 0.00 56.01 55.54 2kcd n LEU 46 Cb 0.22 -0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.20 2kcd n LEU 46 CO 0.18 0.08 1.06 -0.44 -1.33 0.00 0.00 177.39 176.93 2kcd s SER 47 N -2.22 6.64 -0.04 -1.43 0.01 -0.87 -2.18 113.70 113.62 2kcd s SER 47 Ca 0.38 2.76 0.00 0.00 1.31 0.00 0.00 55.95 60.40 2kcd s SER 47 Cb 0.21 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.80 2kcd s SER 47 CO 0.41 -0.67 0.00 0.59 0.41 0.00 0.00 173.24 173.98 2kcd n ASN 48 N 1.29 -2.46 -4.76 2.44 5.03 -1.26 -4.86 115.26 110.68 2kcd n ASN 48 Ca 0.03 0.01 -0.39 0.00 0.87 0.00 0.00 54.58 55.10 2kcd n ASN 48 Cb 0.41 -1.76 -0.06 0.00 -1.02 0.00 0.00 39.78 37.35 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -1.83 0.00 0.00 177.26 174.68 2kcd s LYS 49 N -0.90 4.28 -0.21 3.52 2.20 -0.93 -4.96 119.74 122.74 2kcd s LYS 49 Ca 0.00 0.65 -0.23 0.00 -0.36 0.00 0.00 55.97 56.02 2kcd s LYS 49 Cb 0.00 -3.35 -0.01 0.00 -1.51 0.00 0.00 37.83 32.96 2kcd s LYS 49 CO 0.00 0.37 0.76 0.42 -0.36 0.00 0.00 175.35 176.54 2kcd s ILE 50 N -0.14 4.91 0.06 5.43 1.01 -1.26 -2.07 121.20 129.14 2kcd s ILE 50 Ca 0.29 1.45 0.05 0.00 0.00 0.00 0.00 60.65 62.44 2kcd s ILE 50 Cb -0.17 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.19 2kcd s ILE 50 CO 0.16 0.01 -0.04 -0.76 0.00 0.00 0.00 174.94 174.31 2kcd s LEU 51 N 2.37 3.31 -0.54 2.97 2.01 -0.91 -4.90 118.68 122.99 2kcd s LEU 51 Ca 0.34 -0.19 -0.25 0.00 0.01 0.00 0.00 54.13 54.03 2kcd s LEU 51 Cb -0.16 -2.01 0.04 0.00 0.01 0.00 0.00 46.19 44.07 2kcd s LEU 51 CO 0.10 0.21 1.00 -1.58 1.01 0.00 0.00 176.35 177.09 2kcd s GLN 52 N -1.99 3.41 -0.03 1.70 2.00 -1.08 -2.74 119.66 120.93 2kcd s GLN 52 Ca 0.22 -0.06 -0.17 0.00 -2.00 0.00 0.00 55.36 53.35 2kcd s GLN 52 Cb -0.11 -4.02 -0.05 0.00 0.80 0.00 0.00 33.01 29.62 2kcd s GLN 52 CO 0.14 -1.48 0.48 0.95 -0.50 0.00 0.00 175.29 174.87 2kcd s THR 53 N 4.15 5.03 -0.32 -0.34 -4.23 -0.64 -1.50 115.64 117.79 2kcd s THR 53 Ca 0.35 0.98 0.02 0.00 -1.18 0.00 0.00 61.69 61.86 2kcd s THR 53 Cb -0.11 -3.80 0.10 0.00 1.34 0.00 0.00 72.50 70.03 2kcd s THR 53 CO 0.22 0.47 0.05 0.20 -0.54 0.00 0.00 174.62 175.02 2kcd s ASN 54 N -0.36 4.46 -0.08 3.99 0.01 -0.88 -1.20 114.94 120.88 2kcd s ASN 54 Ca 0.26 -1.90 -0.10 0.00 -0.71 0.00 0.00 52.86 50.41 2kcd s ASN 54 Cb -0.17 -1.35 -0.05 0.00 0.41 0.00 0.00 41.25 40.09 2kcd s ASN 54 CO 0.13 -0.38 0.23 -0.89 -1.51 0.00 0.00 177.10 174.69 2kcd s THR 55 N 1.17 5.34 -0.16 1.60 2.01 -0.79 -2.19 115.64 122.62 2kcd s THR 55 Ca 0.09 0.43 -0.05 0.00 0.31 0.00 0.00 61.69 62.46 2kcd s THR 55 Cb -0.18 -3.51 -0.03 0.00 0.01 0.00 0.00 72.50 68.78 2kcd s THR 55 CO -0.13 0.60 0.01 -0.31 -0.69 0.00 0.00 174.62 174.10 2kcd s TYR 56 N -1.00 3.14 -0.11 4.92 1.51 -1.06 -2.17 117.35 122.57 2kcd s TYR 56 Ca 0.18 -0.11 0.03 0.00 -1.01 0.00 0.00 57.07 56.16 2kcd s TYR 56 Cb -0.14 -2.01 -0.01 0.00 -0.11 0.00 0.00 41.96 39.70 2kcd s TYR 56 CO 0.07 0.07 -0.20 0.71 -1.11 0.00 0.00 175.55 175.10 2kcd s TYR 57 N 0.31 2.65 0.14 2.71 2.02 -0.95 -4.45 117.35 119.78 2kcd s TYR 57 Ca -0.00 -0.85 0.00 0.00 -0.37 0.00 0.00 57.07 55.84 2kcd s TYR 57 Cb -0.13 -1.75 -0.04 0.00 -0.40 0.00 0.00 41.96 39.64 2kcd s TYR 57 CO 0.02 -0.31 0.03 0.45 -1.57 0.00 0.00 175.55 174.16 2kcd s SER 58 N 0.28 0.66 0.17 2.29 0.15 -1.26 -2.15 113.70 113.83 2kcd s SER 58 Ca -0.14 -1.18 -0.12 0.00 0.70 0.00 0.00 55.95 55.21 2kcd s SER 58 Cb -0.17 0.22 0.06 0.00 -1.71 0.00 0.00 66.02 64.42 2kcd s SER 58 CO 0.07 -0.66 1.68 -2.24 1.20 0.00 0.00 173.24 173.29 2kcd h ASP 59 N 2.83 0.86 -0.26 5.45 2.03 -1.99 0.14 116.42 125.47 2kcd h ASP 59 Ca -0.36 -0.23 -0.07 0.00 -0.73 0.00 0.00 57.03 55.65 2kcd h ASP 59 Cb 1.20 -0.23 -0.01 0.00 -0.83 0.00 0.00 39.33 39.46 2kcd h ASP 59 CO 0.61 0.86 -0.12 0.74 -1.03 0.00 0.00 179.24 180.30 2kcd h THR 60 N 0.82 1.30 -0.77 1.15 2.02 -1.96 -2.38 112.91 113.09 2kcd h THR 60 Ca 0.18 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 2kcd h THR 60 Cb 0.33 1.54 -0.03 0.00 -1.74 0.00 0.00 68.15 68.24 2kcd h THR 60 CO -0.00 0.38 0.33 -0.07 0.37 0.00 0.00 175.52 176.52 2kcd h LEU 61 N 0.27 1.04 -0.43 2.58 4.07 -1.84 0.17 115.31 121.17 2kcd h LEU 61 Ca 0.06 -0.16 0.02 0.00 0.08 0.00 0.00 57.88 57.88 2kcd h LEU 61 Cb 0.63 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.07 2kcd h LEU 61 CO 0.04 0.92 0.25 -0.74 -1.08 0.00 0.00 178.44 177.82 2kcd h HIS 62 N 1.10 0.46 -0.49 1.13 2.76 -0.61 0.59 115.15 120.08 2kcd h HIS 62 Ca 0.26 0.02 -0.07 0.00 -2.20 0.00 0.00 60.37 58.37 2kcd h HIS 62 Cb 0.19 -0.15 -0.02 0.00 1.55 0.00 0.00 27.41 28.98 2kcd h HIS 62 CO 0.02 0.26 0.03 0.87 -1.30 0.00 0.00 177.93 177.81 2kcd h LYS 63 N 0.50 0.85 0.00 5.26 1.57 -0.94 -1.52 116.57 122.28 2kcd h LYS 63 Ca 0.17 -0.25 0.00 0.00 -1.87 0.00 0.00 60.65 58.70 2kcd h LYS 63 Cb 0.02 -0.08 0.00 0.00 0.08 0.00 0.00 32.23 32.25 2kcd h LYS 63 CO -0.09 0.87 0.00 0.45 -0.57 0.00 0.00 179.45 180.12 2kcd n SER 64 N -4.36 0.00 -3.11 0.86 2.88 0.55 -4.86 113.62 105.58 2kcd n SER 64 Ca 0.01 0.22 -0.23 0.00 -1.33 0.00 0.00 58.87 57.54 2kcd n SER 64 Cb 0.29 -0.38 0.03 0.00 -0.75 0.00 0.00 64.21 63.40 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kcd n ASN 65 N -1.38 -5.69 -4.45 -3.46 3.02 0.20 -4.88 115.26 98.63 2kcd n ASN 65 Ca 0.07 -0.32 -0.34 0.00 -0.03 0.00 0.00 54.58 53.96 2kcd n ASN 65 Cb 0.18 -4.60 -0.13 0.00 -0.61 0.00 0.00 39.78 34.62 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kcd s ILE 66 N -3.14 3.75 -0.54 2.41 -1.09 -0.64 -4.20 121.20 117.75 2kcd s ILE 66 Ca 0.33 -0.40 0.04 0.00 -2.23 0.00 0.00 60.65 58.40 2kcd s ILE 66 Cb -0.15 -2.66 0.14 0.00 -1.58 0.00 0.00 42.46 38.21 2kcd s ILE 66 CO 0.41 0.47 0.31 -0.31 -1.23 0.00 0.00 174.94 174.60 2kcd s TYR 67 N 0.64 2.93 0.40 3.97 2.02 -1.11 -4.61 117.35 121.58 2kcd s TYR 67 Ca -0.03 -3.02 -0.24 0.00 -0.37 0.00 0.00 57.07 53.41 2kcd s TYR 67 Cb -0.14 -2.51 -0.09 0.00 -0.40 0.00 0.00 41.96 38.81 2kcd s TYR 67 CO 0.02 -0.71 1.04 -1.25 -1.57 0.00 0.00 175.55 173.09 2kcd s PRO 68 N -0.42 4.19 0.01 -1.71 0.04 -1.26 -2.25 135.00 133.60 2kcd s PRO 68 Ca 0.20 1.49 -0.08 0.00 0.04 0.00 0.00 61.00 62.65 2kcd s PRO 68 Cb -0.19 -2.54 0.00 0.00 0.04 0.00 0.00 34.50 31.80 2kcd s PRO 68 CO -0.05 -0.11 0.15 -0.59 0.04 0.00 0.00 177.00 176.43 2kcd s PHE 69 N -1.67 0.04 -0.06 0.56 -0.12 -0.58 -2.55 117.98 113.60 2kcd s PHE 69 Ca 0.57 -0.15 0.03 0.00 -0.05 0.00 0.00 56.93 57.34 2kcd s PHE 69 Cb -0.21 -0.05 0.01 0.00 -0.63 0.00 0.00 43.02 42.14 2kcd s PHE 69 CO 0.27 -0.30 -0.14 0.42 -0.05 0.00 0.00 175.22 175.41 2kcd s ILE 70 N -1.51 1.24 -0.09 -4.49 1.01 -0.93 -2.81 121.20 113.62 2kcd s ILE 70 Ca -0.14 -0.57 -0.19 0.00 0.00 0.00 0.00 60.65 59.75 2kcd s ILE 70 Cb -0.07 -1.10 -0.04 0.00 0.01 0.00 0.00 42.46 41.25 2kcd s ILE 70 CO 0.01 0.37 0.52 -0.76 0.00 0.00 0.00 174.94 175.09 2kcd s LEU 71 N 0.40 4.31 0.08 2.97 1.43 -0.85 -2.07 118.68 124.95 2kcd s LEU 71 Ca -0.10 0.92 0.09 0.00 -1.03 0.00 0.00 54.13 54.01 2kcd s LEU 71 Cb -0.14 -2.78 -0.03 0.00 0.03 0.00 0.00 46.19 43.27 2kcd s LEU 71 CO 0.03 0.01 -0.23 -0.31 0.23 0.00 0.00 176.35 176.08 2kcd s TYR 72 N 0.47 2.02 -0.37 0.29 2.02 -0.56 -2.75 117.35 118.47 2kcd s TYR 72 Ca 0.28 -0.40 0.03 0.00 -0.37 0.00 0.00 57.07 56.61 2kcd s TYR 72 Cb -0.16 -1.15 0.15 0.00 -0.40 0.00 0.00 41.96 40.41 2kcd s TYR 72 CO 0.13 0.19 0.35 -0.47 -1.57 0.00 0.00 175.55 174.18 2kcd s TYR 73 N -0.97 -0.11 -0.34 2.71 5.04 -0.78 -2.62 117.35 120.27 2kcd s TYR 73 Ca 0.10 -0.97 -0.02 0.00 -2.44 0.00 0.00 57.07 53.73 2kcd s TYR 73 Cb -0.10 -0.50 0.00 0.00 0.35 0.00 0.00 41.96 41.72 2kcd s TYR 73 CO 0.04 -0.95 0.26 0.94 -1.34 0.00 0.00 175.55 174.50 2kcd n GLN 74 N 4.20 -1.78 -1.07 4.97 -0.06 -1.26 -3.00 117.38 119.38 2kcd n GLN 74 Ca 0.11 0.21 -0.02 0.00 -2.00 0.00 0.00 57.00 55.30 2kcd n GLN 74 Cb 0.44 -3.40 -0.01 0.00 -4.06 0.00 0.00 30.24 23.20 2kcd n GLN 74 CO 0.00 0.00 0.00 1.17 -0.20 0.00 0.00 177.06 178.03 2kcd n LYS 75 N -1.59 -0.65 -4.13 3.69 4.81 -1.26 -5.00 118.16 114.03 2kcd n LYS 75 Ca -0.00 0.36 -0.28 0.00 -0.87 0.00 0.00 58.31 57.52 2kcd n LYS 75 Cb 0.52 -3.98 -0.07 0.00 0.02 0.00 0.00 35.03 31.52 2kcd n LYS 75 CO 0.00 0.00 0.00 -0.65 1.17 0.00 0.00 177.40 177.92 2kcd s GLN 76 N -1.31 2.67 -0.19 1.64 -1.52 -1.16 -5.09 119.66 114.69 2kcd s GLN 76 Ca 0.00 -0.92 -0.19 0.00 -1.95 0.00 0.00 55.36 52.31 2kcd s GLN 76 Cb 0.00 -2.54 -0.03 0.00 -0.22 0.00 0.00 33.01 30.22 2kcd s GLN 76 CO 0.00 0.50 0.53 -1.17 -0.25 0.00 0.00 175.29 174.90 2kcd s LEU 77 N -2.80 4.16 -0.22 2.90 2.96 -1.26 -1.86 118.68 122.56 2kcd s LEU 77 Ca 0.28 0.72 -0.10 0.00 -0.22 0.00 0.00 54.13 54.82 2kcd s LEU 77 Cb -0.10 -2.74 -0.10 0.00 0.50 0.00 0.00 46.19 43.75 2kcd s LEU 77 CO 0.21 -0.18 -0.27 -0.38 -1.32 0.00 0.00 176.35 174.41 2kcd n ILE 78 N 4.48 1.19 -3.47 6.68 2.08 -1.11 -4.89 119.36 124.32 2kcd n ILE 78 Ca -0.04 -0.32 -0.11 0.00 0.56 0.00 0.00 62.75 62.83 2kcd n ILE 78 Cb 0.50 -1.74 -0.02 0.00 -0.75 0.00 0.00 39.64 37.64 2kcd n ILE 78 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 2kcd s ALA 79 N -2.40 -1.56 0.03 -1.39 0.00 -1.26 0.13 121.76 115.31 2kcd s ALA 79 Ca -0.30 0.41 0.02 0.00 0.00 0.00 0.00 51.96 52.09 2kcd s ALA 79 Cb 0.11 0.88 -0.02 0.00 0.00 0.00 0.00 23.12 24.09 2kcd s ALA 79 CO 0.39 -0.80 -0.08 0.42 0.00 0.00 0.00 175.76 175.70 2kcd s ILE 80 N -3.76 0.57 0.04 0.00 1.01 0.17 -2.00 121.20 117.23 2kcd s ILE 80 Ca 0.02 -0.81 -0.28 0.00 0.00 0.00 0.00 60.65 59.58 2kcd s ILE 80 Cb -0.02 -0.58 0.10 0.00 0.01 0.00 0.00 42.46 41.98 2kcd s ILE 80 CO -0.11 -0.18 1.19 -0.83 0.00 0.00 0.00 174.94 175.01 2kcd s GLY 81 N -1.09 -0.30 0.08 6.18 0.00 -1.12 -1.78 107.32 109.29 2kcd s GLY 81 Ca -0.05 0.41 -0.08 0.00 0.00 0.00 0.00 44.72 45.00 2kcd s GLY 81 CO 0.00 0.82 0.16 -0.11 0.00 0.00 0.00 173.10 173.97 2kcd s PHE 82 N -2.57 0.20 -0.20 1.90 -0.12 -1.08 -1.53 117.98 114.59 2kcd s PHE 82 Ca 0.16 -0.64 -0.07 0.00 -0.05 0.00 0.00 56.93 56.32 2kcd s PHE 82 Cb 0.02 -0.11 -0.04 0.00 -0.63 0.00 0.00 43.02 42.27 2kcd s PHE 82 CO -0.01 -0.52 0.07 0.42 -0.05 0.00 0.00 175.22 175.13 2kcd s ILE 83 N -3.82 4.70 0.22 -4.49 1.01 -0.95 -2.53 121.20 115.33 2kcd s ILE 83 Ca 0.05 -0.06 0.00 0.00 0.00 0.00 0.00 60.65 60.64 2kcd s ILE 83 Cb 0.05 -3.13 0.04 0.00 0.01 0.00 0.00 42.46 39.43 2kcd s ILE 83 CO -0.11 0.43 0.30 -0.67 0.00 0.00 0.00 174.94 174.89 2kcd n ASP 84 N 3.83 0.46 0.06 3.58 2.03 -1.06 -2.76 116.55 122.70 2kcd n ASP 84 Ca -0.16 -1.37 0.01 0.00 0.52 0.00 0.00 54.79 53.78 2kcd n ASP 84 Cb 0.52 -0.19 0.34 0.00 -0.72 0.00 0.00 41.12 41.07 2kcd n ASP 84 CO 0.00 0.00 0.00 -0.08 -1.92 0.00 0.00 177.20 175.20 2kcd h GLU 85 N 0.00 0.37 -0.99 -0.67 4.22 -1.90 -1.85 114.58 113.76 2kcd h GLU 85 Ca -0.10 -0.08 -0.03 0.00 0.08 0.00 0.00 59.36 59.22 2kcd h GLU 85 Cb 0.38 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.56 2kcd h GLU 85 CO 0.11 0.46 0.04 0.09 -2.18 0.00 0.00 179.01 177.54 2kcd n ASN 86 N -4.27 2.53 -0.01 1.04 3.02 -1.26 -4.77 115.26 111.53 2kcd n ASN 86 Ca 0.00 -2.13 -0.00 0.00 -0.03 0.00 0.00 54.58 52.42 2kcd n ASN 86 Cb 0.27 -0.53 -0.00 0.00 -0.61 0.00 0.00 39.78 38.91 2kcd n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kcd n HIS 87 N 0.25 -0.01 -2.58 3.10 1.44 -0.70 -4.86 115.22 111.87 2kcd n HIS 87 Ca 0.05 0.00 -0.39 0.00 -2.01 0.00 0.00 57.72 55.37 2kcd n HIS 87 Cb 0.52 -1.06 -0.05 0.00 0.12 0.00 0.00 29.99 29.52 2kcd n HIS 87 CO 0.00 0.00 0.00 -0.51 -2.81 0.00 0.00 176.34 173.02 2kcd s ASP 88 N -0.75 7.20 -0.41 4.39 1.01 -1.26 -4.77 116.67 122.08 2kcd s ASP 88 Ca 0.00 2.09 -0.16 0.00 0.71 0.00 0.00 52.55 55.19 2kcd s ASP 88 Cb 0.00 -2.61 0.02 0.00 1.01 0.00 0.00 42.92 41.34 2kcd s ASP 88 CO 0.00 -0.18 0.37 -0.04 0.21 0.00 0.00 175.17 175.53 2kcd s MET 89 N -1.77 3.06 -0.35 8.23 -1.94 -1.26 -2.55 119.30 122.71 2kcd s MET 89 Ca 0.48 -0.87 -0.12 0.00 -1.71 0.00 0.00 55.69 53.47 2kcd s MET 89 Cb -0.26 -3.97 -0.00 0.00 2.01 0.00 0.00 34.83 32.61 2kcd s MET 89 CO 0.33 -0.79 0.23 0.34 -0.01 0.00 0.00 175.02 175.12 2kcd s ASP 90 N 1.75 5.91 0.23 3.03 -1.08 -1.05 -4.96 116.67 120.50 2kcd s ASP 90 Ca 0.09 -0.59 -0.28 0.00 -0.52 0.00 0.00 52.55 51.25 2kcd s ASP 90 Cb -0.18 -2.10 -0.09 0.00 -1.46 0.00 0.00 42.92 39.09 2kcd s ASP 90 CO 0.12 -0.28 0.88 -0.36 0.52 0.00 0.00 175.17 176.05 2kcd s PHE 91 N 1.67 3.91 -0.09 -5.34 0.08 -1.26 -2.62 117.98 114.33 2kcd s PHE 91 Ca 0.05 1.80 0.13 0.00 0.12 0.00 0.00 56.93 59.02 2kcd s PHE 91 Cb -0.18 -2.89 -0.18 0.00 -0.57 0.00 0.00 43.02 39.19 2kcd s PHE 91 CO 0.09 0.44 0.15 1.28 -0.10 0.00 0.00 175.22 177.07 2kcd n LEU 92 N 1.36 0.00 -3.59 -0.37 4.77 -0.73 -4.95 117.00 113.48 2kcd n LEU 92 Ca -0.03 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.92 2kcd n LEU 92 Cb 0.48 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.71 2kcd n LEU 92 CO 0.48 0.20 0.15 -0.47 -1.33 0.00 0.00 177.39 176.42 2kcd s TYR 93 N -2.57 -1.15 -0.14 -1.77 5.04 -1.19 -4.47 117.35 111.10 2kcd s TYR 93 Ca -0.06 1.92 0.01 0.00 -2.44 0.00 0.00 57.07 56.50 2kcd s TYR 93 Cb 0.06 0.57 -0.00 0.00 0.35 0.00 0.00 41.96 42.94 2kcd s TYR 93 CO 0.55 -0.62 -0.18 -1.17 -1.34 0.00 0.00 175.55 172.80 2kcd s LEU 94 N 2.78 2.38 -0.04 6.97 2.96 -1.26 0.45 118.68 132.91 2kcd s LEU 94 Ca -0.01 -0.49 -0.01 0.00 -0.22 0.00 0.00 54.13 53.40 2kcd s LEU 94 Cb -0.12 -1.52 0.03 0.00 0.50 0.00 0.00 46.19 45.07 2kcd s LEU 94 CO -0.17 0.11 0.03 -2.28 -1.32 0.00 0.00 176.35 172.72 2kcd s HIS 95 N 0.68 0.26 0.66 5.38 5.65 0.12 -4.02 115.29 124.01 2kcd s HIS 95 Ca -0.09 0.08 0.00 0.00 0.25 0.00 0.00 55.06 55.31 2kcd s HIS 95 Cb -0.16 -0.49 0.10 0.00 -1.18 0.00 0.00 32.58 30.84 2kcd s HIS 95 CO 0.02 -0.19 0.92 1.21 -0.65 0.00 0.00 174.74 176.05 2kcd s ASN 96 N 1.64 4.68 0.33 9.88 3.84 -1.25 -4.38 114.94 129.69 2kcd s ASN 96 Ca -0.01 -0.28 0.07 0.00 0.21 0.00 0.00 52.86 52.84 2kcd s ASN 96 Cb -0.13 -0.27 0.59 0.00 -0.55 0.00 0.00 41.25 40.90 2kcd s ASN 96 CO -0.03 -1.61 1.81 0.71 -2.79 0.00 0.00 177.10 175.19 2kcd h THR 97 N -0.30 1.24 0.00 -5.21 1.35 -1.98 -3.39 112.91 104.62 2kcd h THR 97 Ca -0.38 -1.09 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 2kcd h THR 97 Cb 1.28 1.34 0.00 0.00 -1.73 0.00 0.00 68.15 69.04 2kcd h THR 97 CO 0.44 0.34 0.00 0.52 -0.25 0.00 0.00 175.52 176.57 2kcd n VAL 98 N -4.17 0.00 -4.35 6.82 0.31 -1.26 -5.05 118.33 110.63 2kcd n VAL 98 Ca -0.01 0.04 -0.21 0.00 -0.01 0.00 0.00 64.34 64.15 2kcd n VAL 98 Cb 0.35 -0.82 -0.13 0.00 -0.91 0.00 0.00 33.84 32.34 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcd s MET 99 N -0.08 1.01 0.54 5.55 0.23 -1.26 -5.14 119.30 120.15 2kcd s MET 99 Ca 0.00 -0.90 -0.20 0.00 -1.03 0.00 0.00 55.69 53.56 2kcd s MET 99 Cb 0.00 -1.08 -0.06 0.00 -1.53 0.00 0.00 34.83 32.17 2kcd s MET 99 CO 0.00 0.26 1.17 -1.25 -2.03 0.00 0.00 175.02 173.17 2kcd s PRO 100 N -1.40 3.34 0.00 3.16 0.04 -1.26 -3.78 135.00 135.09 2kcd s PRO 100 Ca 0.02 1.74 0.00 0.00 0.04 0.00 0.00 61.00 62.80 2kcd s PRO 100 Cb -0.09 -2.09 0.00 0.00 0.04 0.00 0.00 34.50 32.36 2kcd s PRO 100 CO 0.02 -0.89 0.00 1.28 0.04 0.00 0.00 177.00 177.45 2kcd n LEU 101 N -1.17 0.00 0.00 -3.56 4.77 -1.26 -4.90 117.00 110.88 2kcd n LEU 101 Ca 0.11 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.09 2kcd n LEU 101 Cb 0.50 -0.44 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 2kcd n LEU 101 CO 0.45 -0.49 0.00 -0.11 -1.33 0.00 0.00 177.39 175.90 2kcd n LEU 102 N -2.48 0.00 -3.08 2.23 7.94 -1.26 -5.01 117.00 115.34 2kcd n LEU 102 Ca 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.90 2kcd n LEU 102 Cb 0.00 0.00 0.00 0.00 0.53 0.00 0.00 43.42 43.95 2kcd n LEU 102 CO 0.00 0.00 -0.20 -0.90 -1.11 0.00 0.00 177.39 175.18 2kcd n ASP 103 N 0.00 -7.11 -4.55 1.96 5.75 -1.26 -4.87 116.55 106.47 2kcd n ASP 103 Ca 0.00 0.72 -0.40 0.00 -0.01 0.00 0.00 54.79 55.11 2kcd n ASP 103 Cb 0.00 -1.53 -0.10 0.00 -1.03 0.00 0.00 41.12 38.46 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kcd s GLN 104 N -0.40 3.63 0.30 0.11 -0.21 -1.26 -4.91 119.66 116.92 2kcd s GLN 104 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.36 54.88 2kcd s GLN 104 Cb 0.00 -3.77 0.49 0.00 1.00 0.00 0.00 33.01 30.73 2kcd s GLN 104 CO 0.00 -0.40 1.86 0.00 -2.12 0.00 0.00 175.29 174.63 2kcd h ARG 105 N 8.45 0.72 -0.88 2.91 3.08 -1.94 -2.38 114.38 124.34 2kcd h ARG 105 Ca -0.32 -0.14 -0.01 0.00 0.07 0.00 0.00 59.98 59.58 2kcd h ARG 105 Cb 1.16 -0.11 -0.04 0.00 0.08 0.00 0.00 29.97 31.06 2kcd h ARG 105 CO 0.63 0.67 0.51 1.88 -1.07 0.00 0.00 179.97 182.58 2kcd h TYR 106 N 0.70 1.19 -0.69 3.04 0.05 -1.95 0.24 116.97 119.56 2kcd h TYR 106 Ca 0.16 -0.02 -0.03 0.00 0.05 0.00 0.00 58.73 58.88 2kcd h TYR 106 Cb 0.28 -0.38 -0.03 0.00 1.01 0.00 0.00 36.73 37.60 2kcd h TYR 106 CO 0.01 0.81 0.29 1.25 -1.05 0.00 0.00 178.16 179.48 2kcd h LEU 107 N 1.22 0.93 -0.08 3.88 5.85 -1.84 1.49 115.31 126.76 2kcd h LEU 107 Ca 0.31 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.88 2kcd h LEU 107 Cb -0.01 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 40.78 2kcd h LEU 107 CO -0.05 0.83 -0.10 0.18 -0.34 0.00 0.00 178.44 178.96 2kcd n LEU 108 N -4.41 0.22 -0.00 2.25 4.77 -0.86 -3.19 117.00 115.78 2kcd n LEU 108 Ca 0.05 0.21 0.04 0.00 -0.03 0.00 0.00 56.01 56.28 2kcd n LEU 108 Cb 0.16 -0.30 -0.05 0.00 -2.33 0.00 0.00 43.42 40.90 2kcd n LEU 108 CO 0.39 0.05 -0.03 0.41 -1.33 0.00 0.00 177.39 176.88 2kcd n THR 109 N -1.25 0.00 -1.50 -5.08 -1.04 0.80 -4.97 114.28 101.24 2kcd n THR 109 Ca 0.12 -0.29 -0.37 0.00 -2.04 0.00 0.00 64.05 61.47 2kcd n THR 109 Cb 0.29 0.99 -0.15 0.00 -1.82 0.00 0.00 70.33 69.64 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2kcd n GLY 110 N 1.22 -0.44 0.00 3.41 0.00 0.50 -4.67 105.19 105.22 2kcd n GLY 110 Ca 0.02 0.92 0.00 0.00 0.00 0.00 0.00 46.02 46.96 2kcd n GLY 110 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2kcd n GLY 111 N 6.31 0.18 3.70 -0.02 0.00 -1.26 -5.06 105.19 109.04 2kcd n GLY 111 Ca 0.64 -1.16 -0.23 0.00 0.00 0.00 0.00 46.02 45.27 2kcd n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcd n GLN 112 N -0.78 -1.38 -0.05 1.61 6.02 -1.26 -4.84 117.38 116.70 2kcd n GLN 112 Ca 0.00 0.80 0.12 0.00 -0.01 0.00 0.00 57.00 57.91 2kcd n GLN 112 Cb 0.00 -2.93 0.34 0.00 1.02 0.00 0.00 30.24 28.67 2kcd n GLN 112 CO 0.00 0.00 0.00 1.47 -1.01 0.00 0.00 177.06 177.52 2kcd n LEU 113 N -2.78 2.20 -4.50 1.08 -0.00 -1.26 -4.96 117.00 106.77 2kcd n LEU 113 Ca -0.24 -0.81 -0.37 0.00 -0.00 0.00 0.00 56.01 54.58 2kcd n LEU 113 Cb 0.65 -0.06 0.05 0.00 -0.00 0.00 0.00 43.42 44.06 2kcd n LEU 113 CO 0.63 0.41 0.17 -0.62 -0.00 0.00 0.00 177.39 177.98 2kcd n GLU 114 N 0.69 0.52 -1.63 1.47 1.02 -1.26 -4.65 120.64 116.80 2kcd n GLU 114 Ca 0.17 0.21 0.00 0.00 -0.02 0.00 0.00 57.16 57.52 2kcd n GLU 114 Cb 0.45 -1.85 0.00 0.00 -0.02 0.00 0.00 31.44 30.02 2kcd n GLU 114 CO 0.00 0.00 0.00 1.58 1.18 0.00 0.00 177.13 179.89 2kcd n HIS 115 N -1.94 -4.43 -4.33 -0.32 -0.00 -1.26 -5.00 115.22 97.94 2kcd n HIS 115 Ca 0.12 2.39 -0.19 0.00 -0.00 0.00 0.00 57.72 60.04 2kcd n HIS 115 Cb 0.48 -3.67 -0.14 0.00 -0.00 0.00 0.00 29.99 26.67 2kcd n HIS 115 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 2kcd s HIS 116 N -5.15 0.99 0.08 1.57 3.76 -1.26 -5.05 115.29 110.23 2kcd s HIS 116 Ca 0.00 -0.29 -0.20 0.00 -0.15 0.00 0.00 55.06 54.42 2kcd s HIS 116 Cb 0.00 -0.61 -0.10 0.00 1.11 0.00 0.00 32.58 32.98 2kcd s HIS 116 CO 0.00 -0.00 1.59 1.25 -0.85 0.00 0.00 174.74 176.73 2kcd h HIS 117 N 5.30 0.29 -1.31 1.40 2.76 -1.97 -3.47 115.15 118.14 2kcd h HIS 117 Ca -0.35 -0.03 0.17 0.00 -2.20 0.00 0.00 60.37 57.96 2kcd h HIS 117 Cb 1.18 -0.08 -0.25 0.00 1.55 0.00 0.00 27.41 29.81 2kcd h HIS 117 CO 0.49 0.38 0.76 -1.58 -1.30 0.00 0.00 177.93 176.68 2kcd s HIS 118 N -5.39 -0.20 -0.19 5.26 2.46 -1.26 -5.15 115.29 110.83 2kcd s HIS 118 Ca -0.14 0.33 -0.07 0.00 0.47 0.00 0.00 55.06 55.66 2kcd s HIS 118 Cb 0.07 0.47 -0.04 0.00 -0.13 0.00 0.00 32.58 32.96 2kcd s HIS 118 CO 0.71 -0.19 0.04 -1.01 -2.47 0.00 0.00 174.74 171.83 2kcd s HIS 119 N -1.10 3.17 -2.00 3.88 3.76 -1.26 -5.29 115.29 116.44 2kcd s HIS 119 Ca 0.04 -0.10 0.21 0.00 -0.15 0.00 0.00 55.06 55.06 2kcd s HIS 119 Cb -0.01 -2.09 1.26 0.00 1.11 0.00 0.00 32.58 32.86 2kcd s HIS 119 CO -0.03 0.01 1.64 0.72 -0.85 0.00 0.00 174.74 176.23