#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 5.25 0.25 2.03 -4.23 -1.26 -4.96 115.64 112.73 2kcd s THR 2 Ca 0.00 0.33 -0.03 0.00 -1.18 0.00 0.00 61.69 60.81 2kcd s THR 2 Cb 0.00 -3.61 0.13 0.00 1.34 0.00 0.00 72.50 70.36 2kcd s THR 2 CO 0.00 0.20 1.77 0.17 -0.54 0.00 0.00 174.62 176.22 2kcd h LEU 3 N 8.47 0.85 -0.44 4.79 8.10 -2.05 -2.73 115.31 132.29 2kcd h LEU 3 Ca -0.33 -0.18 0.09 0.00 0.11 0.00 0.00 57.88 57.56 2kcd h LEU 3 Cb 1.18 -0.22 -0.08 0.00 -0.44 0.00 0.00 40.66 41.09 2kcd h LEU 3 CO 0.59 0.86 -0.09 -0.33 -4.11 0.00 0.00 178.44 175.36 2kcd h GLU 4 N 0.84 0.02 -0.72 0.17 5.08 -1.99 0.38 114.58 118.37 2kcd h GLU 4 Ca 0.17 -0.00 -0.06 0.00 -1.00 0.00 0.00 59.36 58.48 2kcd h GLU 4 Cb 0.39 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.60 2kcd h GLU 4 CO 0.01 0.01 0.22 -0.07 -1.00 0.00 0.00 179.01 178.19 2kcd h LEU 5 N 0.02 1.05 -0.49 1.33 4.07 -1.94 -1.77 115.31 117.57 2kcd h LEU 5 Ca 0.22 -0.21 -0.02 0.00 0.08 0.00 0.00 57.88 57.95 2kcd h LEU 5 Cb 0.33 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.77 2kcd h LEU 5 CO -0.44 0.98 0.23 1.56 -1.08 0.00 0.00 178.44 179.69 2kcd h GLN 6 N 1.06 0.72 -0.40 1.13 1.08 -0.73 0.54 115.11 118.50 2kcd h GLN 6 Ca 0.23 -0.11 -0.03 0.00 -1.45 0.00 0.00 58.65 57.29 2kcd h GLN 6 Cb 0.31 -0.13 -0.02 0.00 -0.05 0.00 0.00 27.48 27.59 2kcd h GLN 6 CO -0.01 0.62 0.15 1.25 -0.95 0.00 0.00 178.83 179.89 2kcd h LEU 7 N 0.66 0.57 -0.63 1.46 5.85 -0.08 0.13 115.31 123.26 2kcd h LEU 7 Ca 0.17 -0.18 -0.06 0.00 0.84 0.00 0.00 57.88 58.65 2kcd h LEU 7 Cb 0.14 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.00 2kcd h LEU 7 CO -0.02 0.60 0.16 0.11 -0.34 0.00 0.00 178.44 178.95 2kcd h LYS 8 N 0.51 1.00 -0.49 1.25 1.57 -1.12 -1.96 116.57 117.33 2kcd h LYS 8 Ca 0.13 -0.23 -0.09 0.00 -1.87 0.00 0.00 60.65 58.59 2kcd h LYS 8 Cb 0.22 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.38 2kcd h LYS 8 CO -0.01 0.90 -0.04 1.25 -0.57 0.00 0.00 179.45 180.98 2kcd h HIS 9 N 0.92 0.98 -0.15 -1.35 2.76 -0.63 -1.27 115.15 116.42 2kcd h HIS 9 Ca 0.20 -0.18 -0.00 0.00 -2.20 0.00 0.00 60.37 58.18 2kcd h HIS 9 Cb 0.34 -0.25 -0.01 0.00 1.55 0.00 0.00 27.41 29.04 2kcd h HIS 9 CO 0.02 0.93 0.09 -0.92 -1.30 0.00 0.00 177.93 176.75 2kcd h TYR 10 N 0.75 0.20 -0.48 5.26 3.20 -0.50 -2.55 116.97 122.84 2kcd h TYR 10 Ca 0.13 -0.00 -0.07 0.00 3.14 0.00 0.00 58.73 61.93 2kcd h TYR 10 Cb 0.57 -0.06 -0.02 0.00 1.54 0.00 0.00 36.73 38.76 2kcd h TYR 10 CO 0.04 0.18 0.01 0.82 -1.64 0.00 0.00 178.16 177.58 2kcd h ILE 11 N 0.15 1.26 -0.28 1.81 1.08 -1.31 -2.07 117.51 118.16 2kcd h ILE 11 Ca 0.05 -1.04 0.06 0.00 -0.39 0.00 0.00 64.86 63.54 2kcd h ILE 11 Cb 0.05 0.99 -0.05 0.00 -3.07 0.00 0.00 36.82 34.73 2kcd h ILE 11 CO -0.01 0.36 -0.07 0.71 -0.69 0.00 0.00 178.15 178.45 2kcd h THR 12 N 0.69 0.72 0.00 -0.27 1.35 -1.06 -0.11 112.91 114.23 2kcd h THR 12 Ca 0.14 0.00 -0.07 0.00 -0.55 0.00 0.00 66.41 65.93 2kcd h THR 12 Cb 0.49 0.72 -0.01 0.00 -1.73 0.00 0.00 68.15 67.62 2kcd h THR 12 CO 0.02 0.00 -0.31 -0.55 -0.25 0.00 0.00 175.52 174.43 2kcd h ASN 13 N -0.00 0.00 -0.30 5.36 -1.07 -1.40 2.37 115.58 120.54 2kcd h ASN 13 Ca 0.14 0.00 -0.01 0.00 0.07 0.00 0.00 56.30 56.49 2kcd h ASN 13 Cb 0.21 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 36.44 2kcd h ASN 13 CO -0.29 0.31 0.14 0.25 0.07 0.00 0.00 177.43 177.91 2kcd h LEU 14 N 0.00 0.40 -2.63 6.14 7.12 -0.30 -3.15 115.31 122.89 2kcd h LEU 14 Ca -0.00 -0.14 0.00 0.00 0.13 0.00 0.00 57.88 57.87 2kcd h LEU 14 Cb 0.62 -0.10 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2kcd h LEU 14 CO 0.04 0.43 0.00 0.49 -0.13 0.00 0.00 178.44 179.27 2kcd n PHE 15 N -4.76 0.28 -3.43 1.25 3.72 -0.77 -4.97 117.46 108.77 2kcd n PHE 15 Ca -0.02 -0.41 -0.25 0.00 -0.05 0.00 0.00 57.45 56.72 2kcd n PHE 15 Cb 0.11 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 38.67 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 0.28 -5.73 -4.85 4.37 5.03 0.78 -4.96 115.26 110.19 2kcd n ASN 16 Ca 0.08 -0.48 -0.32 0.00 0.87 0.00 0.00 54.58 54.73 2kcd n ASN 16 Cb 0.35 -4.58 -0.04 0.00 -1.02 0.00 0.00 39.78 34.49 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kcd s LEU 17 N -7.00 3.74 0.21 3.41 1.43 -0.00 -4.96 118.68 115.50 2kcd s LEU 17 Ca 0.48 1.47 -0.32 0.00 -1.03 0.00 0.00 54.13 54.73 2kcd s LEU 17 Cb -0.23 -4.37 -0.15 0.00 0.03 0.00 0.00 46.19 41.48 2kcd s LEU 17 CO 0.60 -0.49 1.23 -2.65 0.23 0.00 0.00 176.35 175.27 2kcd n PRO 18 N -1.32 1.50 0.07 1.29 -0.02 -1.26 -4.75 135.00 130.51 2kcd n PRO 18 Ca 0.05 0.53 0.11 0.00 -2.02 0.00 0.00 63.50 62.18 2kcd n PRO 18 Cb 0.54 -2.07 -0.00 0.00 -0.02 0.00 0.00 33.50 31.94 2kcd n PRO 18 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2kcd n ARG 19 N 1.73 0.52 -0.01 -0.52 3.00 -1.26 -3.85 116.66 116.28 2kcd n ARG 19 Ca 0.13 0.05 0.14 0.00 -0.01 0.00 0.00 57.85 58.16 2kcd n ARG 19 Cb 0.28 -1.73 0.58 0.00 0.00 0.00 0.00 32.46 31.59 2kcd n ARG 19 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.63 174.16 2kcd n ASP 20 N -2.43 1.18 -4.60 0.55 2.03 -1.26 -4.78 116.55 107.23 2kcd n ASP 20 Ca 0.00 -1.43 -0.40 0.00 0.52 0.00 0.00 54.79 53.48 2kcd n ASP 20 Cb 0.52 -0.02 -0.08 0.00 -0.72 0.00 0.00 41.12 40.82 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 2kcd s GLU 21 N -1.97 3.96 0.29 -0.67 2.56 -1.25 -5.06 118.70 116.57 2kcd s GLU 21 Ca 0.39 0.11 -0.21 0.00 0.00 0.00 0.00 54.97 55.25 2kcd s GLU 21 Cb 0.20 -3.68 -0.09 0.00 2.00 0.00 0.00 34.13 32.56 2kcd s GLU 21 CO 0.33 -0.37 0.81 0.15 -0.56 0.00 0.00 175.26 175.62 2kcd s LYS 22 N 2.21 4.30 0.54 4.30 -0.14 -1.26 -5.03 119.74 124.66 2kcd s LYS 22 Ca 0.18 0.99 0.07 0.00 -1.36 0.00 0.00 55.97 55.85 2kcd s LYS 22 Cb -0.16 -2.69 0.07 0.00 -1.68 0.00 0.00 37.83 33.37 2kcd s LYS 22 CO 0.10 0.27 0.58 0.91 -0.76 0.00 0.00 175.35 176.45 2kcd n TRP 23 N 0.32 -1.47 -4.34 3.18 8.01 -1.26 -4.97 117.44 116.91 2kcd n TRP 23 Ca 0.01 -2.14 -0.34 0.00 -1.31 0.00 0.00 57.50 53.73 2kcd n TRP 23 Cb 0.52 -0.48 -0.12 0.00 -2.01 0.00 0.00 31.31 29.21 2kcd n TRP 23 CO 0.00 0.00 0.00 -2.00 -1.01 0.00 0.00 177.69 174.68 2kcd s GLU 24 N -4.35 3.67 0.16 -0.99 2.12 -0.99 -4.94 118.70 113.39 2kcd s GLU 24 Ca 0.44 -0.51 -0.12 0.00 0.36 0.00 0.00 54.97 55.14 2kcd s GLU 24 Cb -0.04 -2.95 -0.07 0.00 0.26 0.00 0.00 34.13 31.34 2kcd s GLU 24 CO 0.28 0.21 0.52 0.00 -0.54 0.00 0.00 175.26 175.73 2kcd s GLU 26 N -2.21 0.58 -0.15 0.00 2.12 -0.48 -4.98 118.70 113.57 2kcd s GLU 26 Ca 0.40 -0.86 -0.19 0.00 0.36 0.00 0.00 54.97 54.68 2kcd s GLU 26 Cb -0.14 -1.81 -0.04 0.00 0.26 0.00 0.00 34.13 32.41 2kcd s GLU 26 CO 0.20 -0.95 0.52 0.45 -0.54 0.00 0.00 175.26 174.94 2kcd s SER 27 N 1.76 6.66 -0.12 -1.70 0.15 -1.26 -1.95 113.70 117.24 2kcd s SER 27 Ca 0.08 0.78 -0.21 0.00 0.70 0.00 0.00 55.95 57.31 2kcd s SER 27 Cb -0.17 -2.30 0.05 0.00 -1.71 0.00 0.00 66.02 61.89 2kcd s SER 27 CO -0.26 -0.10 0.52 -0.51 1.20 0.00 0.00 173.24 174.10 2kcd s ILE 28 N 1.13 0.01 -0.13 6.45 1.10 -0.86 -5.00 121.20 123.90 2kcd s ILE 28 Ca 0.26 -0.11 -0.25 0.00 -0.51 0.00 0.00 60.65 60.04 2kcd s ILE 28 Cb -0.15 -0.79 -0.02 0.00 0.15 0.00 0.00 42.46 41.65 2kcd s ILE 28 CO 0.10 -0.06 0.79 -1.61 -2.11 0.00 0.00 174.94 172.06 2kcd s GLU 29 N -0.46 4.34 0.06 3.50 2.02 -1.26 -1.35 118.70 125.55 2kcd s GLU 29 Ca -0.06 0.98 -0.05 0.00 0.02 0.00 0.00 54.97 55.87 2kcd s GLU 29 Cb -0.03 -3.54 -0.02 0.00 0.10 0.00 0.00 34.13 30.64 2kcd s GLU 29 CO 0.04 -0.21 0.07 -1.21 0.02 0.00 0.00 175.26 173.97 2kcd s GLU 30 N 1.73 0.67 0.19 1.61 2.02 -1.12 -4.96 118.70 118.85 2kcd s GLU 30 Ca 0.38 -1.00 -0.30 0.00 0.02 0.00 0.00 54.97 54.07 2kcd s GLU 30 Cb -0.17 0.25 -0.08 0.00 0.10 0.00 0.00 34.13 34.23 2kcd s GLU 30 CO 0.15 -0.17 1.15 0.08 0.02 0.00 0.00 175.26 176.49 2kcd s VAL 31 N -3.50 3.68 0.18 2.63 1.01 -1.26 -2.30 120.40 120.83 2kcd s VAL 31 Ca 0.03 1.45 -0.13 0.00 0.00 0.00 0.00 61.98 63.33 2kcd s VAL 31 Cb 0.04 -3.93 0.08 0.00 0.00 0.00 0.00 36.38 32.58 2kcd s VAL 31 CO -0.09 0.25 1.78 0.00 0.00 0.00 0.00 175.10 177.04 2kcd h ALA 32 N 5.04 0.64 0.00 5.51 0.00 -1.76 0.44 119.26 129.14 2kcd h ALA 32 Ca -0.45 0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.49 2kcd h ALA 32 Cb 1.21 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2kcd h ALA 32 CO 0.73 -0.12 0.00 -3.47 0.00 0.00 0.00 179.25 176.39 2kcd n ASP 33 N -4.91 0.00 0.06 0.00 2.03 -1.26 0.12 116.55 112.60 2kcd n ASP 33 Ca 0.05 0.09 0.07 0.00 0.52 0.00 0.00 54.79 55.51 2kcd n ASP 33 Cb 0.15 -0.14 -0.05 0.00 -0.72 0.00 0.00 41.12 40.36 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2kcd n ASP 34 N -1.14 0.76 0.00 1.67 2.03 0.15 -4.24 116.55 115.78 2kcd n ASP 34 Ca 0.01 0.31 0.00 0.00 0.52 0.00 0.00 54.79 55.63 2kcd n ASP 34 Cb 0.01 0.50 0.00 0.00 -0.72 0.00 0.00 41.12 40.91 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 -2.71 0.38 -3.83 5.18 -5.35 -0.04 -5.00 119.36 107.98 2kcd n ILE 35 Ca -0.04 -0.46 -0.26 0.00 -0.27 0.00 0.00 62.75 61.71 2kcd n ILE 35 Cb 0.67 0.94 -0.17 0.00 -1.74 0.00 0.00 39.64 39.34 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 -0.38 1.13 0.29 7.28 1.43 0.12 -5.05 118.68 123.49 2kcd s LEU 36 Ca 0.00 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.39 2kcd s LEU 36 Cb 0.00 -0.70 -0.14 0.00 0.03 0.00 0.00 46.19 45.38 2kcd s LEU 36 CO 0.00 -0.19 0.91 -2.65 0.23 0.00 0.00 176.35 174.65 2kcd n PRO 37 N 5.00 1.11 0.29 1.29 -0.02 -1.26 -4.37 135.00 137.05 2kcd n PRO 37 Ca -0.10 0.39 0.08 0.00 -2.02 0.00 0.00 63.50 61.85 2kcd n PRO 37 Cb 0.49 -1.71 0.45 0.00 -0.02 0.00 0.00 33.50 32.71 2kcd n PRO 37 CO 0.00 0.00 0.00 0.38 1.98 0.00 0.00 175.50 177.86 2kcd h ASP 38 N 1.77 0.00 -0.26 2.55 2.03 -1.96 0.45 116.42 120.99 2kcd h ASP 38 Ca -0.38 0.00 -0.14 0.00 -0.73 0.00 0.00 57.03 55.78 2kcd h ASP 38 Cb 1.36 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.85 2kcd h ASP 38 CO 0.59 0.00 -0.33 1.56 -1.03 0.00 0.00 179.24 180.04 2kcd h GLN 39 N 0.00 0.78 -0.61 4.15 1.08 -2.02 -2.83 115.11 115.66 2kcd h GLN 39 Ca 0.00 -0.37 0.00 0.00 -1.45 0.00 0.00 58.65 56.83 2kcd h GLN 39 Cb 1.09 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 28.51 2kcd h GLN 39 CO 0.00 1.00 0.00 0.66 -0.95 0.00 0.00 178.83 179.54 2kcd n TYR 40 N -4.07 1.58 -0.06 2.96 4.01 0.16 -4.30 117.16 117.44 2kcd n TYR 40 Ca -0.01 -0.65 -0.08 0.00 -0.16 0.00 0.00 57.90 57.01 2kcd n TYR 40 Cb 0.50 -0.30 -0.06 0.00 -0.31 0.00 0.00 39.34 39.16 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 0.94 0.68 -0.17 -0.72 0.31 -1.09 -4.23 118.33 114.05 2kcd n VAL 41 Ca 0.26 -0.29 -0.07 0.00 -0.01 0.00 0.00 64.34 64.22 2kcd n VAL 41 Cb 0.95 -0.89 0.02 0.00 -0.91 0.00 0.00 33.84 33.01 2kcd n VAL 41 CO 0.00 0.00 0.00 0.03 -1.32 0.00 0.00 176.83 175.54 2kcd h ARG 42 N 0.00 0.68 -0.58 5.55 3.08 -1.69 -2.70 114.38 118.72 2kcd h ARG 42 Ca -0.27 -0.07 -0.11 0.00 0.07 0.00 0.00 59.98 59.61 2kcd h ARG 42 Cb 1.45 -0.14 -0.02 0.00 0.08 0.00 0.00 29.97 31.34 2kcd h ARG 42 CO -0.03 0.51 -0.06 -0.07 -1.07 0.00 0.00 179.97 179.26 2kcd h LEU 43 N 0.66 1.06 -8.81 3.04 3.38 -1.82 -3.40 115.31 109.41 2kcd h LEU 43 Ca 0.18 -0.33 -0.62 0.00 0.09 0.00 0.00 57.88 57.19 2kcd h LEU 43 Cb 0.02 -0.29 -0.13 0.00 0.09 0.00 0.00 40.66 40.35 2kcd h LEU 43 CO -0.03 1.14 0.18 -0.83 0.09 0.00 0.00 178.44 178.98 2kcd s GLY 44 N -3.62 1.74 0.00 0.83 0.00 -1.02 -4.90 107.32 100.36 2kcd s GLY 44 Ca -0.12 -0.76 0.00 0.00 0.00 0.00 0.00 44.72 43.84 2kcd s GLY 44 CO 0.86 1.52 0.39 -1.05 0.00 0.00 0.00 173.10 174.82 2kcd n PRO 45 N 6.05 0.00 0.00 2.90 -0.02 -1.26 -2.19 135.00 140.48 2kcd n PRO 45 Ca -0.01 0.07 0.01 0.00 -2.02 0.00 0.00 63.50 61.55 2kcd n PRO 45 Cb 0.49 -1.57 0.05 0.00 -0.02 0.00 0.00 33.50 32.44 2kcd n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 46 N -0.89 0.00 -4.66 2.45 4.77 -1.26 -4.64 117.00 112.77 2kcd n LEU 46 Ca 0.00 0.00 -0.45 0.00 -0.03 0.00 0.00 56.01 55.53 2kcd n LEU 46 Cb 0.07 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.14 2kcd n LEU 46 CO 0.00 0.00 0.91 -0.24 -1.33 0.00 0.00 177.39 176.73 2kcd n SER 47 N -0.96 2.44 0.00 -1.43 2.88 -0.93 -0.00 113.62 115.61 2kcd n SER 47 Ca 0.01 1.16 0.00 0.00 -1.33 0.00 0.00 58.87 58.71 2kcd n SER 47 Cb 0.01 -1.40 0.00 0.00 -0.75 0.00 0.00 64.21 62.07 2kcd n SER 47 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kcd n ASN 48 N 1.79 -1.79 -4.75 -3.46 3.02 -1.26 -4.88 115.26 103.92 2kcd n ASN 48 Ca 0.10 0.00 -0.40 0.00 -0.03 0.00 0.00 54.58 54.26 2kcd n ASN 48 Cb 0.32 -2.17 -0.05 0.00 -0.61 0.00 0.00 39.78 37.27 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 2kcd s LYS 49 N -1.02 4.47 -0.33 3.52 2.20 1.00 -4.93 119.74 124.64 2kcd s LYS 49 Ca 0.00 1.01 -0.21 0.00 -0.36 0.00 0.00 55.97 56.41 2kcd s LYS 49 Cb 0.00 -3.36 -0.00 0.00 -1.51 0.00 0.00 37.83 32.96 2kcd s LYS 49 CO 0.00 0.30 0.67 0.42 -0.36 0.00 0.00 175.35 176.37 2kcd s ILE 50 N -0.08 4.88 0.09 5.43 1.01 -1.26 -2.64 121.20 128.64 2kcd s ILE 50 Ca 0.37 0.82 0.04 0.00 0.00 0.00 0.00 60.65 61.89 2kcd s ILE 50 Cb -0.20 -4.06 -0.04 0.00 0.01 0.00 0.00 42.46 38.17 2kcd s ILE 50 CO 0.22 -0.23 0.02 -0.76 0.00 0.00 0.00 174.94 174.19 2kcd s LEU 51 N 2.73 3.57 -0.60 2.97 1.02 -0.97 -4.91 118.68 122.49 2kcd s LEU 51 Ca 0.26 -0.12 -0.28 0.00 0.02 0.00 0.00 54.13 54.01 2kcd s LEU 51 Cb -0.14 -2.29 0.02 0.00 0.02 0.00 0.00 46.19 43.80 2kcd s LEU 51 CO 0.13 0.17 1.33 -1.10 0.02 0.00 0.00 176.35 176.91 2kcd s GLN 52 N -2.34 3.33 0.58 1.70 -0.21 -1.07 -2.79 119.66 118.87 2kcd s GLN 52 Ca 0.27 0.27 -0.08 0.00 0.02 0.00 0.00 55.36 55.84 2kcd s GLN 52 Cb -0.12 -4.11 -0.02 0.00 1.00 0.00 0.00 33.01 29.76 2kcd s GLN 52 CO 0.20 -1.91 0.93 0.95 -2.12 0.00 0.00 175.29 173.33 2kcd s THR 53 N 5.72 4.42 -0.40 -0.19 -4.23 -0.45 -1.30 115.64 119.21 2kcd s THR 53 Ca 0.47 0.42 0.04 0.00 -1.18 0.00 0.00 61.69 61.44 2kcd s THR 53 Cb -0.09 -3.74 0.16 0.00 1.34 0.00 0.00 72.50 70.17 2kcd s THR 53 CO 0.23 -0.85 0.42 0.20 -0.54 0.00 0.00 174.62 174.09 2kcd s ASN 54 N -4.20 0.80 -0.00 3.99 0.01 -0.34 -2.03 114.94 113.17 2kcd s ASN 54 Ca 0.53 -1.89 -0.26 0.00 -0.71 0.00 0.00 52.86 50.52 2kcd s ASN 54 Cb -0.11 0.58 -0.04 0.00 0.41 0.00 0.00 41.25 42.09 2kcd s ASN 54 CO 0.49 -0.21 0.83 -0.89 -1.51 0.00 0.00 177.10 175.81 2kcd s THR 55 N 1.08 4.87 -0.09 1.60 2.01 -0.82 -2.26 115.64 122.03 2kcd s THR 55 Ca 0.22 1.74 -0.01 0.00 0.31 0.00 0.00 61.69 63.95 2kcd s THR 55 Cb -0.09 -4.17 -0.03 0.00 0.01 0.00 0.00 72.50 68.21 2kcd s THR 55 CO -0.06 0.25 -0.01 -0.31 -0.69 0.00 0.00 174.62 173.80 2kcd s TYR 56 N 0.60 3.11 -0.13 4.92 1.51 -0.44 -1.38 117.35 125.53 2kcd s TYR 56 Ca 0.43 0.13 -0.14 0.00 -1.01 0.00 0.00 57.07 56.49 2kcd s TYR 56 Cb -0.20 -1.78 0.04 0.00 -0.11 0.00 0.00 41.96 39.91 2kcd s TYR 56 CO 0.23 0.41 0.38 1.52 -1.11 0.00 0.00 175.55 176.99 2kcd s TYR 57 N -0.80 -0.40 0.31 2.71 1.13 -0.93 -4.16 117.35 115.21 2kcd s TYR 57 Ca 0.12 0.96 0.04 0.00 -1.41 0.00 0.00 57.07 56.78 2kcd s TYR 57 Cb -0.11 0.14 -0.03 0.00 -1.10 0.00 0.00 41.96 40.85 2kcd s TYR 57 CO 0.02 -0.22 0.18 0.45 -2.51 0.00 0.00 175.55 173.47 2kcd s SER 58 N 0.06 1.57 0.07 -0.18 0.15 -1.26 -2.34 113.70 111.78 2kcd s SER 58 Ca -0.01 -1.60 -0.36 0.00 0.70 0.00 0.00 55.95 54.68 2kcd s SER 58 Cb -0.03 0.44 -0.19 0.00 -1.71 0.00 0.00 66.02 64.54 2kcd s SER 58 CO 0.01 -0.93 1.58 0.44 1.20 0.00 0.00 173.24 175.54 2kcd h ASP 59 N 2.19 -1.14 -0.13 5.45 3.32 -1.99 0.24 116.42 124.37 2kcd h ASP 59 Ca -0.32 0.06 -0.19 0.00 0.02 0.00 0.00 57.03 56.61 2kcd h ASP 59 Cb 1.25 0.33 0.00 0.00 0.22 0.00 0.00 39.33 41.13 2kcd h ASP 59 CO 0.49 -0.70 -0.61 0.00 -1.72 0.00 0.00 179.24 176.70 2kcd h THR 60 N -1.12 1.30 -0.61 0.35 1.03 -1.99 -2.61 112.91 109.26 2kcd h THR 60 Ca -0.10 -1.83 -0.03 0.00 -0.01 0.00 0.00 66.41 64.45 2kcd h THR 60 Cb 0.90 1.77 -0.03 0.00 -1.07 0.00 0.00 68.15 69.72 2kcd h THR 60 CO 0.10 0.58 0.26 0.25 -0.01 0.00 0.00 175.52 176.70 2kcd h LEU 61 N 0.55 0.82 -0.65 0.00 5.85 -1.92 -1.88 115.31 118.07 2kcd h LEU 61 Ca -0.00 -0.16 -0.08 0.00 0.84 0.00 0.00 57.88 58.48 2kcd h LEU 61 Cb 1.20 -0.21 -0.03 0.00 0.37 0.00 0.00 40.66 41.99 2kcd h LEU 61 CO 0.12 0.75 0.09 -0.74 -0.34 0.00 0.00 178.44 178.32 2kcd h HIS 62 N 0.84 1.16 -0.89 1.25 2.76 -0.50 -2.82 115.15 116.96 2kcd h HIS 62 Ca 0.21 -0.17 -0.01 0.00 -2.20 0.00 0.00 60.37 58.19 2kcd h HIS 62 Cb 0.17 -0.32 -0.04 0.00 1.55 0.00 0.00 27.41 28.77 2kcd h HIS 62 CO 0.01 0.99 0.50 -0.22 -1.30 0.00 0.00 177.93 177.91 2kcd h LYS 63 N 1.01 1.22 0.00 5.26 3.64 -1.10 -0.35 116.57 126.26 2kcd h LYS 63 Ca 0.20 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 2kcd h LYS 63 Cb 0.46 -0.25 0.00 0.00 -0.41 0.00 0.00 32.23 32.04 2kcd h LYS 63 CO 0.02 0.88 0.00 0.43 -2.27 0.00 0.00 179.45 178.51 2kcd n SER 64 N -4.37 0.00 -2.81 4.20 7.64 -0.74 -4.76 113.62 112.78 2kcd n SER 64 Ca 0.09 -0.21 -0.21 0.00 1.01 0.00 0.00 58.87 59.55 2kcd n SER 64 Cb 0.08 0.00 0.03 0.00 -1.01 0.00 0.00 64.21 63.31 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kcd n ASN 65 N -0.94 -5.97 -4.36 6.43 3.02 -0.14 -4.89 115.26 108.40 2kcd n ASN 65 Ca 0.04 -0.24 -0.33 0.00 -0.03 0.00 0.00 54.58 54.03 2kcd n ASN 65 Cb 0.02 -4.82 -0.14 0.00 -0.61 0.00 0.00 39.78 34.23 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 2.98 -0.54 2.41 -1.09 -1.20 -3.89 121.20 116.74 2kcd s ILE 66 Ca 0.25 -0.69 0.04 0.00 -2.23 0.00 0.00 60.65 58.01 2kcd s ILE 66 Cb -0.11 -2.24 0.15 0.00 -1.58 0.00 0.00 42.46 38.68 2kcd s ILE 66 CO 0.30 0.53 0.33 -0.31 -1.23 0.00 0.00 174.94 174.56 2kcd s TYR 67 N 0.31 2.78 0.27 3.97 2.02 -0.78 -4.51 117.35 121.41 2kcd s TYR 67 Ca -0.11 -2.94 -0.26 0.00 -0.37 0.00 0.00 57.07 53.39 2kcd s TYR 67 Cb -0.16 -2.35 -0.09 0.00 -0.40 0.00 0.00 41.96 38.96 2kcd s TYR 67 CO 0.06 -0.70 0.90 -1.25 -1.57 0.00 0.00 175.55 172.99 2kcd s PRO 68 N -0.44 4.63 0.09 -1.71 0.04 -1.26 -2.09 135.00 134.26 2kcd s PRO 68 Ca 0.21 1.31 -0.13 0.00 0.04 0.00 0.00 61.00 62.42 2kcd s PRO 68 Cb -0.16 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.39 2kcd s PRO 68 CO -0.07 0.40 0.31 -0.59 0.04 0.00 0.00 177.00 177.09 2kcd s PHE 69 N -1.42 -0.08 0.05 0.56 -0.71 -0.77 -1.33 117.98 114.27 2kcd s PHE 69 Ca 0.45 -0.21 0.05 0.00 -1.04 0.00 0.00 56.93 56.18 2kcd s PHE 69 Cb -0.21 0.12 -0.02 0.00 -1.21 0.00 0.00 43.02 41.69 2kcd s PHE 69 CO 0.26 -0.60 -0.15 0.42 -1.34 0.00 0.00 175.22 173.81 2kcd s ILE 70 N -3.42 1.20 -0.11 -4.49 1.01 -0.96 -3.04 121.20 111.40 2kcd s ILE 70 Ca 0.01 -1.12 -0.03 0.00 0.00 0.00 0.00 60.65 59.52 2kcd s ILE 70 Cb 0.02 -1.10 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 2kcd s ILE 70 CO -0.09 -0.03 -0.01 -0.76 0.00 0.00 0.00 174.94 174.05 2kcd s LEU 71 N -1.32 3.45 -0.02 2.97 1.43 -1.00 -1.20 118.68 122.99 2kcd s LEU 71 Ca 0.02 0.04 0.06 0.00 -1.03 0.00 0.00 54.13 53.21 2kcd s LEU 71 Cb -0.09 -1.80 -0.01 0.00 0.03 0.00 0.00 46.19 44.32 2kcd s LEU 71 CO 0.02 0.30 -0.20 -0.31 0.23 0.00 0.00 176.35 176.38 2kcd s TYR 72 N -0.40 1.85 -0.19 0.29 2.02 -0.42 -1.83 117.35 118.66 2kcd s TYR 72 Ca 0.07 -0.40 -0.05 0.00 -0.37 0.00 0.00 57.07 56.32 2kcd s TYR 72 Cb -0.12 -1.20 0.10 0.00 -0.40 0.00 0.00 41.96 40.33 2kcd s TYR 72 CO 0.02 -0.07 0.37 -0.47 -1.57 0.00 0.00 175.55 173.83 2kcd s TYR 73 N -0.35 -0.70 -0.93 2.71 5.04 -0.26 -2.59 117.35 120.27 2kcd s TYR 73 Ca 0.05 1.17 -0.05 0.00 -2.44 0.00 0.00 57.07 55.79 2kcd s TYR 73 Cb -0.09 0.13 -0.03 0.00 0.35 0.00 0.00 41.96 42.32 2kcd s TYR 73 CO 0.00 -0.52 0.80 1.04 -1.34 0.00 0.00 175.55 175.53 2kcd n GLN 74 N 5.37 -1.70 -4.50 4.97 6.02 -1.26 -2.46 117.38 123.83 2kcd n GLN 74 Ca -0.07 1.06 -0.40 0.00 -0.01 0.00 0.00 57.00 57.58 2kcd n GLN 74 Cb 0.50 -5.37 -0.08 0.00 1.02 0.00 0.00 30.24 26.31 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 -1.01 0.00 0.00 177.06 177.68 2kcd n LYS 75 N -2.75 -0.76 -3.65 -1.09 5.02 -1.26 -4.88 118.16 108.80 2kcd n LYS 75 Ca -0.06 0.13 -0.05 0.00 -2.02 0.00 0.00 58.31 56.31 2kcd n LYS 75 Cb 0.57 -4.48 -0.06 0.00 -0.02 0.00 0.00 35.03 31.04 2kcd n LYS 75 CO 0.00 0.00 0.00 -1.14 -0.52 0.00 0.00 177.40 175.74 2kcd s GLN 76 N -7.27 0.61 1.05 1.97 0.74 -1.03 -5.16 119.66 110.57 2kcd s GLN 76 Ca 0.67 1.29 -0.12 0.00 0.05 0.00 0.00 55.36 57.25 2kcd s GLN 76 Cb -0.39 0.47 0.20 0.00 1.10 0.00 0.00 33.01 34.39 2kcd s GLN 76 CO 1.02 -0.18 0.95 1.47 -0.55 0.00 0.00 175.29 178.00 2kcd n LEU 77 N 4.88 0.58 0.00 3.68 -0.00 -1.26 -1.10 117.00 123.78 2kcd n LEU 77 Ca -0.16 0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.97 2kcd n LEU 77 Cb 0.54 -1.33 0.00 0.00 -0.00 0.00 0.00 43.42 42.63 2kcd n LEU 77 CO -0.02 -2.84 -0.30 -0.38 -0.00 0.00 0.00 177.39 173.85 2kcd n ILE 78 N -4.54 0.00 -3.49 1.47 2.08 -0.76 -4.72 119.36 109.39 2kcd n ILE 78 Ca 0.07 0.00 -0.14 0.00 0.56 0.00 0.00 62.75 63.24 2kcd n ILE 78 Cb 0.54 -0.36 -0.04 0.00 -0.75 0.00 0.00 39.64 39.02 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 -1.63 -1.74 -0.01 -1.39 0.00 -1.26 0.21 121.76 115.95 2kcd s ALA 79 Ca 0.00 1.05 0.03 0.00 0.00 0.00 0.00 51.96 53.04 2kcd s ALA 79 Cb 0.00 0.25 -0.01 0.00 0.00 0.00 0.00 23.12 23.36 2kcd s ALA 79 CO 0.00 -0.52 -0.10 0.42 0.00 0.00 0.00 175.76 175.56 2kcd s ILE 80 N -2.20 0.78 0.13 0.00 1.01 0.81 -2.38 121.20 119.35 2kcd s ILE 80 Ca -0.04 -0.43 -0.24 0.00 0.00 0.00 0.00 60.65 59.93 2kcd s ILE 80 Cb -0.00 -0.66 0.08 0.00 0.01 0.00 0.00 42.46 41.89 2kcd s ILE 80 CO -0.00 0.21 1.10 -0.83 0.00 0.00 0.00 174.94 175.42 2kcd s GLY 81 N -0.25 0.04 0.09 6.18 0.00 -1.17 -0.94 107.32 111.26 2kcd s GLY 81 Ca 0.04 -0.21 -0.11 0.00 0.00 0.00 0.00 44.72 44.43 2kcd s GLY 81 CO -0.00 3.06 0.25 -0.11 0.00 0.00 0.00 173.10 176.29 2kcd s PHE 82 N -2.17 0.04 -0.14 1.90 -0.71 -1.02 -1.85 117.98 114.03 2kcd s PHE 82 Ca 0.23 -0.40 0.01 0.00 -1.04 0.00 0.00 56.93 55.73 2kcd s PHE 82 Cb -0.02 0.03 -0.01 0.00 -1.21 0.00 0.00 43.02 41.81 2kcd s PHE 82 CO 0.04 -0.56 -0.15 0.42 -1.34 0.00 0.00 175.22 173.62 2kcd s ILE 83 N -3.60 2.76 0.08 -4.49 1.01 -0.89 -1.35 121.20 114.72 2kcd s ILE 83 Ca 0.03 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.93 2kcd s ILE 83 Cb 0.03 -2.15 0.01 0.00 0.01 0.00 0.00 42.46 40.36 2kcd s ILE 83 CO -0.10 0.52 0.05 -0.67 0.00 0.00 0.00 174.94 174.75 2kcd n ASP 84 N 3.74 1.43 -4.25 3.58 2.03 -1.08 -1.86 116.55 120.13 2kcd n ASP 84 Ca -0.19 -1.29 -0.37 0.00 0.52 0.00 0.00 54.79 53.47 2kcd n ASP 84 Cb 0.52 0.01 0.05 0.00 -0.72 0.00 0.00 41.12 40.98 2kcd n ASP 84 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 2kcd n GLU 85 N -0.60 0.07 -1.11 -0.67 0.28 -1.25 -1.05 120.64 116.30 2kcd n GLU 85 Ca -0.01 0.04 -0.04 0.00 -0.16 0.00 0.00 57.16 56.99 2kcd n GLU 85 Cb 0.09 -1.34 -0.02 0.00 1.43 0.00 0.00 31.44 31.61 2kcd n GLU 85 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 2kcd n ASN 86 N 1.59 -4.85 -3.94 -1.84 2.85 -1.26 -2.89 115.26 104.92 2kcd n ASN 86 Ca 0.05 0.09 -0.28 0.00 -0.11 0.00 0.00 54.58 54.34 2kcd n ASN 86 Cb 0.51 -2.68 0.00 0.00 1.24 0.00 0.00 39.78 38.86 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 -2.11 0.00 0.00 177.26 176.72 2kcd n HIS 87 N -2.43 -1.91 -2.88 1.20 -0.00 -0.21 -4.90 115.22 104.08 2kcd n HIS 87 Ca -0.04 0.82 -0.42 0.00 -0.00 0.00 0.00 57.72 58.09 2kcd n HIS 87 Cb 0.36 -3.80 -0.04 0.00 -0.00 0.00 0.00 29.99 26.51 2kcd n HIS 87 CO 0.00 0.00 0.00 -0.51 -0.00 0.00 0.00 176.34 175.83 2kcd s ASP 88 N -3.85 6.93 -0.27 0.26 1.01 -1.05 -4.86 116.67 114.84 2kcd s ASP 88 Ca 0.34 1.15 -0.27 0.00 0.71 0.00 0.00 52.55 54.47 2kcd s ASP 88 Cb -0.18 -2.45 0.01 0.00 1.01 0.00 0.00 42.92 41.31 2kcd s ASP 88 CO 0.86 -0.43 0.97 -0.32 0.21 0.00 0.00 175.17 176.46 2kcd s MET 89 N 2.35 4.15 -0.09 8.23 1.75 -1.26 -2.64 119.30 131.78 2kcd s MET 89 Ca 0.38 1.09 -0.02 0.00 -1.25 0.00 0.00 55.69 55.89 2kcd s MET 89 Cb -0.16 -3.68 -0.03 0.00 2.84 0.00 0.00 34.83 33.80 2kcd s MET 89 CO 0.11 -0.69 0.01 -0.51 -0.65 0.00 0.00 175.02 173.29 2kcd s ASP 90 N 1.41 5.27 -0.22 1.11 1.01 -0.46 -5.00 116.67 119.79 2kcd s ASP 90 Ca 0.41 0.15 -0.09 0.00 0.71 0.00 0.00 52.55 53.72 2kcd s ASP 90 Cb -0.14 -1.51 -0.05 0.00 1.01 0.00 0.00 42.92 42.24 2kcd s ASP 90 CO 0.10 0.37 0.12 -0.36 0.21 0.00 0.00 175.17 175.61 2kcd s PHE 91 N -0.84 3.28 -0.17 4.23 0.40 -1.26 -2.43 117.98 121.18 2kcd s PHE 91 Ca 0.13 0.11 -0.16 0.00 -0.60 0.00 0.00 56.93 56.41 2kcd s PHE 91 Cb -0.11 -2.21 -0.05 0.00 0.51 0.00 0.00 43.02 41.15 2kcd s PHE 91 CO 0.02 0.05 -0.31 -0.11 0.70 0.00 0.00 175.22 175.57 2kcd n LEU 92 N 4.13 1.91 -3.78 -0.37 7.94 -0.12 -4.98 117.00 121.73 2kcd n LEU 92 Ca -0.16 0.40 -0.18 0.00 -1.11 0.00 0.00 56.01 54.96 2kcd n LEU 92 Cb 0.52 -0.77 -0.17 0.00 0.53 0.00 0.00 43.42 43.53 2kcd n LEU 92 CO 0.35 -0.31 -0.37 -0.47 -1.11 0.00 0.00 177.39 175.48 2kcd s TYR 93 N -2.76 0.30 -0.14 1.96 5.04 -1.09 -4.61 117.35 116.06 2kcd s TYR 93 Ca -0.26 0.03 0.01 0.00 -2.44 0.00 0.00 57.07 54.41 2kcd s TYR 93 Cb 0.04 -0.47 0.00 0.00 0.35 0.00 0.00 41.96 41.88 2kcd s TYR 93 CO 0.39 -0.17 -0.18 -1.17 -1.34 0.00 0.00 175.55 173.07 2kcd s LEU 94 N 1.36 2.33 -0.21 6.97 2.96 -1.11 -0.13 118.68 130.85 2kcd s LEU 94 Ca -0.05 -0.51 -0.04 0.00 -0.22 0.00 0.00 54.13 53.31 2kcd s LEU 94 Cb -0.13 -1.51 0.07 0.00 0.50 0.00 0.00 46.19 45.12 2kcd s LEU 94 CO -0.03 0.10 0.10 -2.28 -1.32 0.00 0.00 176.35 172.92 2kcd s HIS 95 N 0.69 0.34 0.59 5.38 5.65 0.13 -4.06 115.29 124.00 2kcd s HIS 95 Ca -0.09 -0.55 0.05 0.00 0.25 0.00 0.00 55.06 54.72 2kcd s HIS 95 Cb -0.16 -0.80 0.08 0.00 -1.18 0.00 0.00 32.58 30.52 2kcd s HIS 95 CO 0.02 -0.61 0.81 1.21 -0.65 0.00 0.00 174.74 175.52 2kcd s ASN 96 N 2.09 4.99 -0.44 9.88 3.84 -1.26 -4.35 114.94 129.70 2kcd s ASN 96 Ca 0.04 -0.48 -0.32 0.00 0.21 0.00 0.00 52.86 52.31 2kcd s ASN 96 Cb -0.16 -0.16 -0.11 0.00 -0.55 0.00 0.00 41.25 40.27 2kcd s ASN 96 CO -0.17 -1.37 2.31 0.35 -2.79 0.00 0.00 177.10 175.43 2kcd n THR 97 N -2.37 0.13 -2.54 -5.21 -2.24 -1.26 -2.47 114.28 98.31 2kcd n THR 97 Ca 0.13 -0.38 -0.08 0.00 -2.27 0.00 0.00 64.05 61.45 2kcd n THR 97 Cb 0.60 -1.91 -0.01 0.00 -2.10 0.00 0.00 70.33 66.91 2kcd n THR 97 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kcd n VAL 98 N 7.50 0.00 -2.85 2.28 3.14 -1.26 -4.68 118.33 122.46 2kcd n VAL 98 Ca 0.42 0.00 -0.11 0.00 -2.96 0.00 0.00 64.34 61.68 2kcd n VAL 98 Cb 0.31 -0.09 0.05 0.00 -1.06 0.00 0.00 33.84 33.05 2kcd n VAL 98 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2kcd n MET 99 N -2.32 1.06 -2.20 1.45 0.00 -1.03 -5.13 117.12 108.95 2kcd n MET 99 Ca 0.02 -2.54 -0.39 0.00 0.00 0.00 0.00 57.70 54.79 2kcd n MET 99 Cb 0.39 -1.07 -0.02 0.00 0.00 0.00 0.00 33.22 32.53 2kcd n MET 99 CO 0.00 0.00 0.00 -1.25 0.00 0.00 0.00 175.97 174.72 2kcd s PRO 100 N -1.06 4.07 -0.21 2.12 0.04 -1.26 -4.19 135.00 134.51 2kcd s PRO 100 Ca 0.28 1.99 -0.13 0.00 0.04 0.00 0.00 61.00 63.18 2kcd s PRO 100 Cb 0.36 -2.77 -0.09 0.00 0.04 0.00 0.00 34.50 32.04 2kcd s PRO 100 CO -0.05 -0.35 -0.30 1.28 0.04 0.00 0.00 177.00 177.62 2kcd n LEU 101 N 0.21 1.70 -4.26 -3.56 4.77 -1.26 -4.93 117.00 109.66 2kcd n LEU 101 Ca 0.03 0.29 -0.32 0.00 -0.03 0.00 0.00 56.01 55.98 2kcd n LEU 101 Cb 0.45 -0.69 -0.16 0.00 -2.33 0.00 0.00 43.42 40.69 2kcd n LEU 101 CO 0.53 0.24 -0.54 -0.76 -1.33 0.00 0.00 177.39 175.53 2kcd s LEU 102 N -7.42 2.18 -0.47 2.23 1.43 -1.26 -5.04 118.68 110.33 2kcd s LEU 102 Ca -0.30 -0.50 0.06 0.00 -1.03 0.00 0.00 54.13 52.36 2kcd s LEU 102 Cb 0.10 -1.43 0.23 0.00 0.03 0.00 0.00 46.19 45.13 2kcd s LEU 102 CO 0.40 0.20 0.78 -0.90 0.23 0.00 0.00 176.35 177.06 2kcd n ASP 103 N 3.27 -2.29 -4.53 2.29 5.75 -1.26 -2.74 116.55 117.04 2kcd n ASP 103 Ca -0.18 -3.11 -0.38 0.00 -0.01 0.00 0.00 54.79 51.10 2kcd n ASP 103 Cb 0.53 1.26 -0.11 0.00 -1.03 0.00 0.00 41.12 41.77 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 0.33 3.69 0.25 0.11 -0.21 -1.26 -4.96 119.66 117.61 2kcd s GLN 104 Ca 0.32 -0.49 -0.01 0.00 0.02 0.00 0.00 55.36 55.20 2kcd s GLN 104 Cb 0.19 -3.63 0.32 0.00 1.00 0.00 0.00 33.01 30.88 2kcd s GLN 104 CO -0.20 -0.29 1.72 0.00 -2.12 0.00 0.00 175.29 174.40 2kcd h ARG 105 N 8.38 0.70 -0.55 2.91 2.47 -1.99 -2.43 114.38 123.87 2kcd h ARG 105 Ca -0.34 -0.23 0.00 0.00 -1.26 0.00 0.00 59.98 58.15 2kcd h ARG 105 Cb 1.17 -0.06 -0.03 0.00 -1.65 0.00 0.00 29.97 29.41 2kcd h ARG 105 CO 0.59 0.80 0.35 1.88 0.56 0.00 0.00 179.97 184.15 2kcd h TYR 106 N 0.64 0.70 -0.70 3.04 0.05 -1.95 -1.34 116.97 117.41 2kcd h TYR 106 Ca 0.11 0.01 -0.07 0.00 0.05 0.00 0.00 58.73 58.83 2kcd h TYR 106 Cb 0.58 -0.24 -0.03 0.00 1.01 0.00 0.00 36.73 38.06 2kcd h TYR 106 CO 0.03 0.46 0.16 1.25 -1.05 0.00 0.00 178.16 179.01 2kcd h LEU 107 N 0.74 1.07 -0.39 3.88 5.85 -1.90 1.97 115.31 126.53 2kcd h LEU 107 Ca 0.20 -0.24 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 2kcd h LEU 107 Cb -0.06 -0.28 -0.02 0.00 0.37 0.00 0.00 40.66 40.67 2kcd h LEU 107 CO -0.04 1.03 0.21 0.25 -0.34 0.00 0.00 178.44 179.55 2kcd h LEU 108 N 1.06 0.49 -2.66 2.25 6.46 -0.92 -2.66 115.31 119.34 2kcd h LEU 108 Ca 0.22 -0.09 0.00 0.00 -0.12 0.00 0.00 57.88 57.89 2kcd h LEU 108 Cb 0.38 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.19 2kcd h LEU 108 CO 0.00 0.44 0.00 0.35 -0.62 0.00 0.00 178.44 178.61 2kcd n THR 109 N -4.74 0.87 -1.19 1.05 -2.24 -0.56 -4.62 114.28 102.86 2kcd n THR 109 Ca 0.00 -0.94 -0.35 0.00 -2.27 0.00 0.00 64.05 60.49 2kcd n THR 109 Cb 0.08 0.62 0.09 0.00 -2.10 0.00 0.00 70.33 69.02 2kcd n THR 109 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2kcd n GLY 110 N 1.46 -1.00 0.00 3.38 0.00 0.67 -4.82 105.19 104.89 2kcd n GLY 110 Ca 0.22 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.79 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 1.25 0.02 3.27 -0.02 0.00 -1.26 -4.84 105.19 103.61 2kcd n GLY 111 Ca 0.11 -0.01 -0.26 0.00 0.00 0.00 0.00 46.02 45.85 2kcd n GLY 111 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kcd n GLN 112 N -0.33 -2.07 -3.60 1.61 7.27 -1.26 -4.93 117.38 114.06 2kcd n GLN 112 Ca 0.00 1.66 -0.37 0.00 0.07 0.00 0.00 57.00 58.36 2kcd n GLN 112 Cb 0.00 -3.47 -0.07 0.00 2.41 0.00 0.00 30.24 29.11 2kcd n GLN 112 CO 0.00 0.00 0.00 -0.51 0.07 0.00 0.00 177.06 176.62 2kcd s LEU 113 N -2.66 4.32 0.00 1.69 1.43 -1.26 -4.92 118.68 117.28 2kcd s LEU 113 Ca 0.31 0.58 0.00 0.00 -1.03 0.00 0.00 54.13 53.99 2kcd s LEU 113 Cb -0.05 -2.35 0.00 0.00 0.03 0.00 0.00 46.19 43.82 2kcd s LEU 113 CO 0.84 0.21 0.00 -0.62 0.23 0.00 0.00 176.35 177.00 2kcd n GLU 114 N 2.92 2.11 -0.16 1.70 1.02 -1.26 -4.80 120.64 122.17 2kcd n GLU 114 Ca -0.14 0.00 -0.10 0.00 -0.02 0.00 0.00 57.16 56.90 2kcd n GLU 114 Cb 0.53 -0.65 0.03 0.00 -0.02 0.00 0.00 31.44 31.33 2kcd n GLU 114 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2kcd h HIS 115 N 0.00 1.09 -3.56 -0.32 3.86 -2.02 -3.46 115.15 110.75 2kcd h HIS 115 Ca 0.00 -0.23 -0.05 0.00 -1.16 0.00 0.00 60.37 58.92 2kcd h HIS 115 Cb 0.20 -0.27 -0.11 0.00 1.06 0.00 0.00 27.41 28.30 2kcd h HIS 115 CO 0.00 1.04 -0.12 -1.58 0.86 0.00 0.00 177.93 178.13 2kcd s HIS 116 N -4.78 0.12 0.04 2.45 5.65 -1.26 -5.18 115.29 112.34 2kcd s HIS 116 Ca -0.11 -0.48 -0.17 0.00 0.25 0.00 0.00 55.06 54.55 2kcd s HIS 116 Cb 0.13 0.21 0.03 0.00 -1.18 0.00 0.00 32.58 31.77 2kcd s HIS 116 CO 0.86 -0.85 0.40 -3.38 -0.65 0.00 0.00 174.74 171.11 2kcd s HIS 117 N -3.92 -0.24 0.32 3.88 -3.43 -1.26 -4.87 115.29 105.76 2kcd s HIS 117 Ca 0.13 0.19 -0.26 0.00 -0.80 0.00 0.00 55.06 54.33 2kcd s HIS 117 Cb 0.01 0.20 -0.10 0.00 -1.43 0.00 0.00 32.58 31.26 2kcd s HIS 117 CO -0.00 -0.56 0.94 -1.01 -2.00 0.00 0.00 174.74 172.10 2kcd s HIS 118 N -2.48 3.69 0.31 0.38 3.76 -1.26 -5.01 115.29 114.67 2kcd s HIS 118 Ca -0.05 1.78 -0.29 0.00 -0.15 0.00 0.00 55.06 56.34 2kcd s HIS 118 Cb -0.01 -2.92 -0.10 0.00 1.11 0.00 0.00 32.58 30.67 2kcd s HIS 118 CO -0.02 0.21 1.19 -3.38 -0.85 0.00 0.00 174.74 171.89 2kcd s HIS 119 N -1.62 3.33 0.00 1.40 -3.43 -1.26 -5.31 115.29 108.40 2kcd s HIS 119 Ca 0.50 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.33 2kcd s HIS 119 Cb -0.18 -3.46 0.00 0.00 -1.43 0.00 0.00 32.58 27.51 2kcd s HIS 119 CO 0.24 -1.14 0.00 -2.39 -2.00 0.00 0.00 174.74 169.45