#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 5.11 0.21 2.03 -4.23 -1.26 -4.98 115.64 112.52 2kcd s THR 2 Ca 0.00 0.83 -0.08 0.00 -1.18 0.00 0.00 61.69 61.25 2kcd s THR 2 Cb 0.00 -3.73 0.15 0.00 1.34 0.00 0.00 72.50 70.27 2kcd s THR 2 CO 0.00 0.49 1.79 -0.07 -0.54 0.00 0.00 174.62 176.29 2kcd h LEU 3 N 5.49 1.05 -0.41 4.79 4.07 -2.05 -1.58 115.31 126.66 2kcd h LEU 3 Ca -0.48 -0.15 0.03 0.00 0.08 0.00 0.00 57.88 57.36 2kcd h LEU 3 Cb 1.20 -0.27 -0.03 0.00 1.08 0.00 0.00 40.66 42.64 2kcd h LEU 3 CO 0.67 0.91 0.20 -0.08 -1.08 0.00 0.00 178.44 179.06 2kcd h GLU 4 N 1.11 0.40 -0.42 1.13 4.81 -1.99 0.44 114.58 120.06 2kcd h GLU 4 Ca 0.26 -0.02 -0.03 0.00 -0.13 0.00 0.00 59.36 59.44 2kcd h GLU 4 Cb 0.17 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.44 2kcd h GLU 4 CO -0.03 0.26 0.13 1.25 -0.73 0.00 0.00 179.01 179.90 2kcd h LEU 5 N 0.41 0.61 -0.99 1.64 5.85 -1.90 -2.58 115.31 118.36 2kcd h LEU 5 Ca 0.17 -0.21 -0.09 0.00 0.84 0.00 0.00 57.88 58.60 2kcd h LEU 5 Cb 0.08 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.93 2kcd h LEU 5 CO -0.12 0.66 -0.19 1.56 -0.34 0.00 0.00 178.44 180.01 2kcd h GLN 6 N 0.54 0.51 -0.61 1.25 4.20 -0.79 -2.73 115.11 117.48 2kcd h GLN 6 Ca 0.14 -0.17 -0.01 0.00 0.06 0.00 0.00 58.65 58.66 2kcd h GLN 6 Cb 0.27 -0.04 -0.03 0.00 0.30 0.00 0.00 27.48 27.98 2kcd h GLN 6 CO -0.00 0.68 0.32 1.25 -0.67 0.00 0.00 178.83 180.41 2kcd h LEU 7 N 0.46 0.77 -0.57 1.46 5.85 0.16 0.24 115.31 123.68 2kcd h LEU 7 Ca 0.08 -0.10 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 2kcd h LEU 7 Cb 0.59 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.40 2kcd h LEU 7 CO 0.04 0.65 0.24 0.11 -0.34 0.00 0.00 178.44 179.14 2kcd h LYS 8 N 0.83 0.84 -0.46 1.25 1.79 -1.25 -1.57 116.57 118.00 2kcd h LYS 8 Ca 0.21 -0.15 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 2kcd h LYS 8 Cb 0.06 -0.14 -0.01 0.00 -1.58 0.00 0.00 32.23 30.56 2kcd h LYS 8 CO -0.03 0.72 -0.12 0.45 -1.08 0.00 0.00 179.45 179.39 2kcd h HIS 9 N 0.78 1.01 -0.04 -1.35 3.86 -1.16 -1.76 115.15 116.49 2kcd h HIS 9 Ca 0.19 -0.22 -0.00 0.00 -1.16 0.00 0.00 60.37 59.18 2kcd h HIS 9 Cb 0.18 -0.25 -0.00 0.00 1.06 0.00 0.00 27.41 28.40 2kcd h HIS 9 CO 0.01 0.99 0.02 -0.92 0.86 0.00 0.00 177.93 178.89 2kcd h TYR 10 N 0.74 0.06 -0.42 2.45 3.20 -0.27 0.13 116.97 122.85 2kcd h TYR 10 Ca 0.12 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 61.94 2kcd h TYR 10 Cb 0.67 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.90 2kcd h TYR 10 CO 0.05 0.14 0.09 0.82 -1.64 0.00 0.00 178.16 177.62 2kcd h ILE 11 N -0.04 1.24 -0.19 1.81 2.04 -1.30 -0.20 117.51 120.86 2kcd h ILE 11 Ca 0.01 -0.83 -0.02 0.00 1.00 0.00 0.00 64.86 65.02 2kcd h ILE 11 Cb 0.10 0.98 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 2kcd h ILE 11 CO -0.00 0.29 0.04 0.71 0.00 0.00 0.00 178.15 179.19 2kcd h THR 12 N 0.54 1.21 -0.54 -0.27 1.35 -1.21 -1.30 112.91 112.70 2kcd h THR 12 Ca 0.13 -0.68 -0.08 0.00 -0.55 0.00 0.00 66.41 65.23 2kcd h THR 12 Cb 0.34 1.30 -0.02 0.00 -1.73 0.00 0.00 68.15 68.04 2kcd h THR 12 CO 0.00 0.21 0.02 0.78 -0.25 0.00 0.00 175.52 176.29 2kcd h ASN 13 N 0.12 0.91 -0.46 5.36 -0.26 -0.70 2.62 115.58 123.17 2kcd h ASN 13 Ca 0.06 -0.30 -0.03 0.00 -0.56 0.00 0.00 56.30 55.48 2kcd h ASN 13 Cb 0.28 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.28 2kcd h ASN 13 CO 0.00 0.98 0.19 0.25 -1.06 0.00 0.00 177.43 177.79 2kcd h LEU 14 N 0.81 0.63 -1.42 1.61 5.85 -0.95 -2.71 115.31 119.13 2kcd h LEU 14 Ca 0.16 -0.16 0.00 0.00 0.84 0.00 0.00 57.88 58.71 2kcd h LEU 14 Cb 0.50 -0.16 0.00 0.00 0.37 0.00 0.00 40.66 41.37 2kcd h LEU 14 CO 0.02 0.62 -0.13 0.49 -0.34 0.00 0.00 178.44 179.11 2kcd n PHE 15 N -4.60 0.00 -3.71 1.25 3.72 -0.50 -4.95 117.46 108.67 2kcd n PHE 15 Ca 0.01 0.00 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 2kcd n PHE 15 Cb 0.15 -0.01 0.05 0.00 -0.94 0.00 0.00 39.48 38.73 2kcd n PHE 15 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 2kcd n ASN 16 N 0.66 -4.09 -4.86 4.37 5.15 0.85 -4.96 115.26 112.38 2kcd n ASN 16 Ca 0.14 -0.70 -0.32 0.00 -0.60 0.00 0.00 54.58 53.10 2kcd n ASN 16 Cb 0.50 -4.43 -0.06 0.00 -0.53 0.00 0.00 39.78 35.27 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 2kcd s LEU 17 N -7.03 4.07 0.09 1.20 1.43 0.41 -4.98 118.68 113.87 2kcd s LEU 17 Ca 0.41 1.14 -0.37 0.00 -1.03 0.00 0.00 54.13 54.28 2kcd s LEU 17 Cb -0.19 -3.94 -0.17 0.00 0.03 0.00 0.00 46.19 41.92 2kcd s LEU 17 CO 0.78 -0.19 1.35 -2.65 0.23 0.00 0.00 176.35 175.88 2kcd n PRO 18 N -0.42 1.19 0.06 1.29 -0.02 -1.26 -4.77 135.00 131.07 2kcd n PRO 18 Ca 0.02 0.43 0.07 0.00 -2.02 0.00 0.00 63.50 62.00 2kcd n PRO 18 Cb 0.53 -2.08 -0.05 0.00 -0.02 0.00 0.00 33.50 31.88 2kcd n PRO 18 CO 0.00 0.00 0.00 -2.13 1.98 0.00 0.00 175.50 175.35 2kcd n ARG 19 N 2.57 0.62 -0.03 -0.52 3.00 -1.26 -3.72 116.66 117.32 2kcd n ARG 19 Ca 0.18 0.13 0.07 0.00 -0.00 0.00 0.00 57.85 58.24 2kcd n ARG 19 Cb 0.19 -1.79 0.36 0.00 0.00 0.00 0.00 32.46 31.22 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.63 177.23 2kcd n ASP 20 N -2.73 0.44 -4.51 6.15 5.75 -1.26 -4.71 116.55 115.69 2kcd n ASP 20 Ca -0.05 -1.65 -0.39 0.00 -0.01 0.00 0.00 54.79 52.70 2kcd n ASP 20 Cb 0.68 -0.04 -0.11 0.00 -1.03 0.00 0.00 41.12 40.62 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2kcd s GLU 21 N -1.93 3.60 0.22 0.11 2.12 -1.24 -5.08 118.70 116.51 2kcd s GLU 21 Ca 0.22 -0.55 -0.22 0.00 0.36 0.00 0.00 54.97 54.78 2kcd s GLU 21 Cb 0.11 -3.62 -0.08 0.00 0.26 0.00 0.00 34.13 30.79 2kcd s GLU 21 CO 0.17 -0.32 0.76 0.15 -0.54 0.00 0.00 175.26 175.48 2kcd s LYS 22 N 1.68 4.36 0.58 4.30 -0.14 -1.26 -5.02 119.74 124.24 2kcd s LYS 22 Ca 0.06 0.99 0.08 0.00 -1.36 0.00 0.00 55.97 55.74 2kcd s LYS 22 Cb -0.17 -2.94 0.08 0.00 -1.68 0.00 0.00 37.83 33.12 2kcd s LYS 22 CO 0.08 0.41 0.69 -1.58 -0.76 0.00 0.00 175.35 174.19 2kcd s TRP 23 N -1.46 1.34 -0.25 3.18 0.51 -1.26 -5.00 118.94 115.99 2kcd s TRP 23 Ca 0.42 -0.80 -0.06 0.00 -2.12 0.00 0.00 56.10 53.54 2kcd s TRP 23 Cb -0.18 -2.09 -0.01 0.00 -0.81 0.00 0.00 33.47 30.37 2kcd s TRP 23 CO 0.22 -1.01 0.04 -1.21 -0.51 0.00 0.00 176.95 174.49 2kcd s GLU 24 N -4.57 3.43 0.18 4.98 2.02 -1.09 -4.94 118.70 118.71 2kcd s GLU 24 Ca 0.53 -0.62 -0.25 0.00 0.02 0.00 0.00 54.97 54.65 2kcd s GLU 24 Cb -0.04 -3.25 -0.08 0.00 0.10 0.00 0.00 34.13 30.86 2kcd s GLU 24 CO 0.33 -0.26 0.78 0.00 0.02 0.00 0.00 175.26 176.14 2kcd s GLU 26 N -1.25 0.49 -0.19 0.00 2.12 -0.77 -5.00 118.70 114.09 2kcd s GLU 26 Ca 0.37 0.07 -0.21 0.00 0.36 0.00 0.00 54.97 55.55 2kcd s GLU 26 Cb -0.23 -0.72 -0.02 0.00 0.26 0.00 0.00 34.13 33.42 2kcd s GLU 26 CO 0.26 -0.19 0.66 0.45 -0.54 0.00 0.00 175.26 175.90 2kcd s SER 27 N 1.37 6.73 -0.03 -1.70 0.15 -1.26 -2.06 113.70 116.89 2kcd s SER 27 Ca -0.05 0.89 0.01 0.00 0.70 0.00 0.00 55.95 57.50 2kcd s SER 27 Cb -0.13 -2.36 0.01 0.00 -1.71 0.00 0.00 66.02 61.83 2kcd s SER 27 CO -0.02 -0.29 -0.04 -0.63 1.20 0.00 0.00 173.24 173.46 2kcd s ILE 28 N 1.92 0.47 -0.22 6.45 1.01 0.99 -5.00 121.20 126.81 2kcd s ILE 28 Ca 0.30 -0.14 -0.10 0.00 0.00 0.00 0.00 60.65 60.72 2kcd s ILE 28 Cb -0.16 -0.47 -0.05 0.00 0.01 0.00 0.00 42.46 41.79 2kcd s ILE 28 CO 0.11 0.19 0.14 -1.61 0.00 0.00 0.00 174.94 173.76 2kcd s GLU 29 N 0.60 4.09 0.05 2.79 2.02 -1.26 0.07 118.70 127.05 2kcd s GLU 29 Ca -0.07 -0.27 -0.04 0.00 0.02 0.00 0.00 54.97 54.61 2kcd s GLU 29 Cb -0.11 -3.45 -0.02 0.00 0.10 0.00 0.00 34.13 30.65 2kcd s GLU 29 CO -0.00 0.16 0.06 -1.21 0.02 0.00 0.00 175.26 174.29 2kcd s GLU 30 N 0.76 0.62 0.18 1.61 2.02 -1.14 -4.97 118.70 117.79 2kcd s GLU 30 Ca 0.07 -0.94 -0.30 0.00 0.02 0.00 0.00 54.97 53.82 2kcd s GLU 30 Cb -0.13 0.24 -0.08 0.00 0.10 0.00 0.00 34.13 34.26 2kcd s GLU 30 CO 0.02 -0.15 1.15 0.08 0.02 0.00 0.00 175.26 176.38 2kcd s VAL 31 N -3.22 3.72 0.19 2.63 1.01 -1.26 -1.98 120.40 121.50 2kcd s VAL 31 Ca 0.00 1.45 -0.12 0.00 0.00 0.00 0.00 61.98 63.32 2kcd s VAL 31 Cb 0.03 -3.93 0.11 0.00 0.00 0.00 0.00 36.38 32.58 2kcd s VAL 31 CO -0.07 0.23 1.84 0.00 0.00 0.00 0.00 175.10 177.10 2kcd h ALA 32 N 5.26 0.79 0.00 5.51 0.00 -1.60 0.80 119.26 130.01 2kcd h ALA 32 Ca -0.44 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kcd h ALA 32 Cb 1.21 -0.20 0.00 0.00 0.00 0.00 0.00 17.79 18.80 2kcd h ALA 32 CO 0.74 0.14 0.00 -3.47 0.00 0.00 0.00 179.25 176.67 2kcd n ASP 33 N -4.71 0.00 -0.11 0.00 2.03 -1.10 0.19 116.55 112.86 2kcd n ASP 33 Ca 0.05 0.23 -0.17 0.00 0.52 0.00 0.00 54.79 55.42 2kcd n ASP 33 Cb 0.07 -0.23 -0.06 0.00 -0.72 0.00 0.00 41.12 40.18 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 -1.22 1.91 -0.08 1.67 -0.08 0.26 -4.54 116.55 114.47 2kcd n ASP 34 Ca 0.00 0.40 0.11 0.00 -1.51 0.00 0.00 54.79 53.79 2kcd n ASP 34 Cb 0.00 -0.82 0.09 0.00 2.34 0.00 0.00 41.12 42.73 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2kcd n ILE 35 N -4.41 0.00 -3.93 5.18 -5.35 -1.02 -4.64 119.36 105.19 2kcd n ILE 35 Ca -0.29 -0.04 -0.31 0.00 -0.27 0.00 0.00 62.75 61.84 2kcd n ILE 35 Cb 0.62 0.68 -0.14 0.00 -1.74 0.00 0.00 39.64 39.06 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 -2.89 4.48 0.85 7.28 2.01 0.51 -5.04 118.68 125.88 2kcd s LEU 36 Ca 0.12 -2.90 -0.14 0.00 0.01 0.00 0.00 54.13 51.22 2kcd s LEU 36 Cb 0.17 -1.67 0.03 0.00 0.01 0.00 0.00 46.19 44.74 2kcd s LEU 36 CO 0.74 -0.27 0.69 -2.65 1.01 0.00 0.00 176.35 175.87 2kcd n PRO 37 N 3.28 -0.01 0.00 1.29 -0.02 -1.26 -4.08 135.00 134.20 2kcd n PRO 37 Ca 0.05 0.05 0.00 0.00 -2.02 0.00 0.00 63.50 61.59 2kcd n PRO 37 Cb 0.34 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 31.79 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kcd n ASP 38 N -1.71 0.00 -0.35 2.55 5.75 -1.26 -1.76 116.55 119.76 2kcd n ASP 38 Ca 0.10 0.22 0.08 0.00 -0.01 0.00 0.00 54.79 55.18 2kcd n ASP 38 Cb 0.52 -0.22 0.25 0.00 -1.03 0.00 0.00 41.12 40.63 2kcd n ASP 38 CO 0.00 0.00 0.00 1.56 -0.11 0.00 0.00 177.20 178.65 2kcd h GLN 39 N 0.00 0.91 -0.00 0.11 4.20 -2.02 -2.90 115.11 115.41 2kcd h GLN 39 Ca 0.00 -0.05 0.00 0.00 0.06 0.00 0.00 58.65 58.66 2kcd h GLN 39 Cb 0.30 -0.21 0.00 0.00 0.30 0.00 0.00 27.48 27.88 2kcd h GLN 39 CO 0.00 0.60 -0.06 0.66 -0.67 0.00 0.00 178.83 179.36 2kcd n TYR 40 N -4.66 0.00 -3.71 2.96 4.01 -0.72 -4.89 117.16 110.15 2kcd n TYR 40 Ca 0.19 0.00 -0.37 0.00 -0.16 0.00 0.00 57.90 57.56 2kcd n TYR 40 Cb 0.39 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.31 2kcd n TYR 40 CO 0.00 0.00 0.00 0.08 -0.46 0.00 0.00 176.86 176.48 2kcd s VAL 41 N -0.75 3.65 -1.17 -0.72 1.01 -1.09 -5.01 120.40 116.33 2kcd s VAL 41 Ca 0.02 -2.33 -0.10 0.00 0.00 0.00 0.00 61.98 59.57 2kcd s VAL 41 Cb 0.02 -3.44 0.23 0.00 0.00 0.00 0.00 36.38 33.20 2kcd s VAL 41 CO 0.07 -0.78 1.38 0.54 0.00 0.00 0.00 175.10 176.31 2kcd n ARG 42 N 4.26 3.64 -1.73 2.72 1.74 -1.26 -4.41 116.66 121.62 2kcd n ARG 42 Ca 0.01 -4.15 0.00 0.00 -0.77 0.00 0.00 57.85 52.93 2kcd n ARG 42 Cb 0.40 -2.76 0.00 0.00 -1.02 0.00 0.00 32.46 29.09 2kcd n ARG 42 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kcd n LEU 43 N 3.62 0.00 0.00 0.55 4.77 -1.26 -4.85 117.00 119.83 2kcd n LEU 43 Ca 0.31 0.26 0.00 0.00 -0.03 0.00 0.00 56.01 56.55 2kcd n LEU 43 Cb 0.39 -0.72 0.00 0.00 -2.33 0.00 0.00 43.42 40.76 2kcd n LEU 43 CO 0.60 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 177.27 2kcd n GLY 44 N -0.26 0.02 0.31 -0.72 0.00 -1.26 -4.82 105.19 98.46 2kcd n GLY 44 Ca 0.00 -1.78 0.17 0.00 0.00 0.00 0.00 46.02 44.41 2kcd n GLY 44 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 2kcd h PRO 45 N 0.00 0.00 -0.42 1.61 0.11 -2.01 -0.57 132.00 130.72 2kcd h PRO 45 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.11 2kcd h PRO 45 Cb 0.00 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.11 2kcd h PRO 45 CO 0.00 0.00 0.00 1.28 -0.21 0.00 0.00 178.00 179.07 2kcd n LEU 46 N -3.70 1.51 0.00 2.35 4.77 -1.26 -4.29 117.00 116.38 2kcd n LEU 46 Ca -0.02 -0.76 0.00 0.00 -0.03 0.00 0.00 56.01 55.20 2kcd n LEU 46 Cb 0.14 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.97 2kcd n LEU 46 CO 0.26 0.31 0.00 -1.54 -1.33 0.00 0.00 177.39 175.08 2kcd n SER 47 N 0.14 0.00 -0.60 -1.43 3.41 -0.22 -4.11 113.62 110.81 2kcd n SER 47 Ca 0.07 0.00 0.03 0.00 -0.26 0.00 0.00 58.87 58.71 2kcd n SER 47 Cb 0.28 0.00 0.11 0.00 -0.26 0.00 0.00 64.21 64.34 2kcd n SER 47 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 2kcd n ASN 48 N 0.00 1.64 -4.75 4.04 5.15 -1.26 -2.70 115.26 117.38 2kcd n ASN 48 Ca 0.00 -2.10 -0.41 0.00 -0.60 0.00 0.00 54.58 51.46 2kcd n ASN 48 Cb 0.00 -0.30 -0.02 0.00 -0.53 0.00 0.00 39.78 38.93 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 1.40 0.00 0.00 177.26 177.91 2kcd s LYS 49 N -1.64 4.23 -0.13 1.20 2.20 -1.26 -4.71 119.74 119.63 2kcd s LYS 49 Ca 0.15 2.37 -0.25 0.00 -0.36 0.00 0.00 55.97 57.88 2kcd s LYS 49 Cb 0.09 -3.09 -0.02 0.00 -1.51 0.00 0.00 37.83 33.30 2kcd s LYS 49 CO 0.08 -0.47 0.79 0.42 -0.36 0.00 0.00 175.35 175.81 2kcd s ILE 50 N -0.01 4.94 0.05 5.43 1.01 -1.26 -2.11 121.20 129.26 2kcd s ILE 50 Ca 0.60 1.57 0.05 0.00 0.00 0.00 0.00 60.65 62.88 2kcd s ILE 50 Cb -0.43 -4.11 -0.04 0.00 0.01 0.00 0.00 42.46 37.90 2kcd s ILE 50 CO 0.44 0.10 -0.09 -0.76 0.00 0.00 0.00 174.94 174.63 2kcd s LEU 51 N 1.69 3.04 -0.22 2.97 1.43 -0.83 -4.95 118.68 121.80 2kcd s LEU 51 Ca 0.38 -0.29 -0.29 0.00 -1.03 0.00 0.00 54.13 52.91 2kcd s LEU 51 Cb -0.17 -1.80 -0.00 0.00 0.03 0.00 0.00 46.19 44.25 2kcd s LEU 51 CO 0.15 0.23 1.19 -1.10 0.23 0.00 0.00 176.35 177.05 2kcd s GLN 52 N -1.77 4.17 -0.21 1.70 -1.52 -0.99 -2.87 119.66 118.17 2kcd s GLN 52 Ca 0.19 1.44 -0.05 0.00 -1.95 0.00 0.00 55.36 54.99 2kcd s GLN 52 Cb -0.11 -3.75 -0.02 0.00 -0.22 0.00 0.00 33.01 28.91 2kcd s GLN 52 CO 0.10 -0.78 -0.01 0.95 -0.25 0.00 0.00 175.29 175.30 2kcd s THR 53 N 3.59 3.80 -0.39 -0.19 -4.23 0.11 -2.36 115.64 115.97 2kcd s THR 53 Ca 0.51 -0.36 -0.06 0.00 -1.18 0.00 0.00 61.69 60.61 2kcd s THR 53 Cb -0.18 -2.73 0.08 0.00 1.34 0.00 0.00 72.50 71.02 2kcd s THR 53 CO 0.14 0.42 0.18 0.21 -0.54 0.00 0.00 174.62 175.03 2kcd s ASN 54 N 1.20 5.35 -0.06 3.99 2.47 -0.73 -0.01 114.94 127.16 2kcd s ASN 54 Ca 0.03 -1.62 -0.09 0.00 0.42 0.00 0.00 52.86 51.60 2kcd s ASN 54 Cb -0.15 -1.88 -0.05 0.00 -1.45 0.00 0.00 41.25 37.73 2kcd s ASN 54 CO 0.01 -0.48 0.24 -0.89 -3.72 0.00 0.00 177.10 172.26 2kcd s THR 55 N 1.30 5.33 -0.12 -5.21 2.01 -0.88 -2.11 115.64 115.96 2kcd s THR 55 Ca 0.03 0.38 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 2kcd s THR 55 Cb -0.22 -3.52 -0.03 0.00 0.01 0.00 0.00 72.50 68.73 2kcd s THR 55 CO -0.01 0.56 0.03 -0.31 -0.69 0.00 0.00 174.62 174.20 2kcd s TYR 56 N -1.10 3.22 -0.11 4.92 1.51 -1.06 -1.85 117.35 122.89 2kcd s TYR 56 Ca 0.20 0.16 0.01 0.00 -1.01 0.00 0.00 57.07 56.43 2kcd s TYR 56 Cb -0.14 -1.88 0.02 0.00 -0.11 0.00 0.00 41.96 39.85 2kcd s TYR 56 CO 0.09 0.39 -0.14 0.71 -1.11 0.00 0.00 175.55 175.49 2kcd s TYR 57 N -0.53 1.87 0.13 2.71 2.02 -0.84 -4.40 117.35 118.31 2kcd s TYR 57 Ca 0.10 -0.89 -0.00 0.00 -0.37 0.00 0.00 57.07 55.90 2kcd s TYR 57 Cb -0.12 -1.38 -0.04 0.00 -0.40 0.00 0.00 41.96 40.02 2kcd s TYR 57 CO 0.02 -0.48 0.02 -1.12 -1.57 0.00 0.00 175.55 172.42 2kcd s SER 58 N 1.10 0.65 0.20 2.29 0.01 -1.26 -2.68 113.70 114.01 2kcd s SER 58 Ca -0.05 -1.15 -0.09 0.00 1.31 0.00 0.00 55.95 55.97 2kcd s SER 58 Cb -0.14 0.22 0.14 0.00 0.21 0.00 0.00 66.02 66.44 2kcd s SER 58 CO -0.03 -0.65 1.76 -0.78 0.41 0.00 0.00 173.24 173.96 2kcd h ASP 59 N 2.86 1.03 -0.72 2.44 1.82 -2.00 -2.51 116.42 119.35 2kcd h ASP 59 Ca -0.35 -0.17 -0.04 0.00 -0.39 0.00 0.00 57.03 56.07 2kcd h ASP 59 Cb 1.19 -0.27 -0.03 0.00 0.68 0.00 0.00 39.33 40.90 2kcd h ASP 59 CO 0.62 0.93 0.28 0.71 -1.61 0.00 0.00 179.24 180.16 2kcd h THR 60 N 1.08 1.25 -0.69 2.25 1.35 -2.00 -2.59 112.91 113.56 2kcd h THR 60 Ca 0.25 -0.80 -0.04 0.00 -0.55 0.00 0.00 66.41 65.27 2kcd h THR 60 Cb 0.22 0.39 -0.03 0.00 -1.73 0.00 0.00 68.15 66.99 2kcd h THR 60 CO -0.02 0.32 0.29 -0.07 -0.25 0.00 0.00 175.52 175.79 2kcd h LEU 61 N 1.06 0.94 -0.43 3.87 4.07 -1.76 -0.14 115.31 122.92 2kcd h LEU 61 Ca 0.24 -0.17 0.02 0.00 0.08 0.00 0.00 57.88 58.06 2kcd h LEU 61 Cb 0.22 -0.24 -0.03 0.00 1.08 0.00 0.00 40.66 41.68 2kcd h LEU 61 CO -0.02 0.85 0.25 0.45 -1.08 0.00 0.00 178.44 178.89 2kcd h HIS 62 N 0.98 0.46 -0.59 1.13 3.86 -1.09 2.07 115.15 121.96 2kcd h HIS 62 Ca 0.23 0.02 -0.06 0.00 -1.16 0.00 0.00 60.37 59.40 2kcd h HIS 62 Cb 0.19 -0.15 -0.02 0.00 1.06 0.00 0.00 27.41 28.50 2kcd h HIS 62 CO 0.01 0.26 0.13 0.87 0.86 0.00 0.00 177.93 180.07 2kcd h LYS 63 N 0.50 0.96 -0.00 2.45 1.57 -1.15 -2.26 116.57 118.64 2kcd h LYS 63 Ca 0.18 -0.24 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 2kcd h LYS 63 Cb 0.03 -0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.22 2kcd h LYS 63 CO -0.09 0.89 -0.15 0.43 -0.57 0.00 0.00 179.45 179.96 2kcd n SER 64 N -4.35 0.22 -3.61 0.86 7.64 -0.10 -4.92 113.62 109.37 2kcd n SER 64 Ca 0.03 0.03 -0.25 0.00 1.01 0.00 0.00 58.87 59.69 2kcd n SER 64 Cb 0.25 -0.20 0.06 0.00 -1.01 0.00 0.00 64.21 63.31 2kcd n SER 64 CO 0.00 0.00 0.00 -3.20 -3.01 0.00 0.00 175.04 168.83 2kcd n ASN 65 N -1.37 -6.00 -4.42 6.43 2.85 0.69 -4.29 115.26 109.15 2kcd n ASN 65 Ca 0.09 -0.56 -0.33 0.00 -0.11 0.00 0.00 54.58 53.66 2kcd n ASN 65 Cb 0.32 -4.75 -0.13 0.00 1.24 0.00 0.00 39.78 36.46 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.11 0.00 0.00 177.26 174.52 2kcd s ILE 66 N -3.29 3.43 -0.54 -1.44 1.01 -0.56 -3.47 121.20 116.34 2kcd s ILE 66 Ca 0.58 -0.52 0.04 0.00 0.00 0.00 0.00 60.65 60.74 2kcd s ILE 66 Cb -0.26 -2.47 0.14 0.00 0.01 0.00 0.00 42.46 39.87 2kcd s ILE 66 CO 0.71 0.51 0.31 -0.31 0.00 0.00 0.00 174.94 176.16 2kcd s TYR 67 N 0.41 2.90 0.50 3.97 2.02 -0.77 -4.66 117.35 121.72 2kcd s TYR 67 Ca -0.07 -3.00 -0.23 0.00 -0.37 0.00 0.00 57.07 53.40 2kcd s TYR 67 Cb -0.15 -2.50 -0.06 0.00 -0.40 0.00 0.00 41.96 38.85 2kcd s TYR 67 CO 0.04 -0.71 1.31 -2.14 -1.57 0.00 0.00 175.55 172.48 2kcd s PRO 68 N -0.39 3.46 0.00 -1.71 0.02 -1.26 -2.74 135.00 132.38 2kcd s PRO 68 Ca 0.20 2.13 -0.12 0.00 0.02 0.00 0.00 61.00 63.23 2kcd s PRO 68 Cb -0.19 -2.40 0.01 0.00 0.02 0.00 0.00 34.50 31.94 2kcd s PRO 68 CO -0.05 -0.90 0.25 -0.59 -0.33 0.00 0.00 177.00 175.38 2kcd s PHE 69 N -1.34 -0.08 -0.06 6.54 -0.71 -0.74 -2.55 117.98 119.03 2kcd s PHE 69 Ca 0.67 0.06 0.03 0.00 -1.04 0.00 0.00 56.93 56.64 2kcd s PHE 69 Cb -0.38 0.04 0.01 0.00 -1.21 0.00 0.00 43.02 41.48 2kcd s PHE 69 CO 0.46 -0.38 -0.15 0.42 -1.34 0.00 0.00 175.22 174.23 2kcd s ILE 70 N -1.62 1.30 -0.19 -4.49 1.01 -0.90 -2.64 121.20 113.67 2kcd s ILE 70 Ca -0.12 -0.60 -0.06 0.00 0.00 0.00 0.00 60.65 59.88 2kcd s ILE 70 Cb -0.05 -1.15 -0.03 0.00 0.01 0.00 0.00 42.46 41.24 2kcd s ILE 70 CO 0.02 0.39 0.01 -0.76 0.00 0.00 0.00 174.94 174.60 2kcd s LEU 71 N 0.43 3.41 0.10 2.97 1.43 0.15 -1.77 118.68 125.40 2kcd s LEU 71 Ca -0.11 -0.11 -0.12 0.00 -1.03 0.00 0.00 54.13 52.75 2kcd s LEU 71 Cb -0.14 -1.86 0.02 0.00 0.03 0.00 0.00 46.19 44.23 2kcd s LEU 71 CO 0.04 0.11 0.29 -0.72 0.23 0.00 0.00 176.35 176.29 2kcd s TYR 72 N 0.74 -0.02 0.29 0.29 1.13 -0.99 -0.29 117.35 118.50 2kcd s TYR 72 Ca 0.01 -0.35 0.10 0.00 -1.41 0.00 0.00 57.07 55.42 2kcd s TYR 72 Cb -0.14 0.09 -0.05 0.00 -1.10 0.00 0.00 41.96 40.76 2kcd s TYR 72 CO 0.02 -0.61 -0.07 -0.47 -2.51 0.00 0.00 175.55 171.92 2kcd s TYR 73 N -3.75 2.52 -1.81 -3.49 5.04 0.52 -2.34 117.35 114.04 2kcd s TYR 73 Ca 0.03 -0.31 0.00 0.00 -2.44 0.00 0.00 57.07 54.35 2kcd s TYR 73 Cb 0.03 -1.20 0.00 0.00 0.35 0.00 0.00 41.96 41.14 2kcd s TYR 73 CO -0.11 0.62 0.02 0.00 -1.34 0.00 0.00 175.55 174.74 2kcd n GLN 74 N -0.82 0.02 -0.01 4.97 10.64 -1.26 -1.66 117.38 129.26 2kcd n GLN 74 Ca -0.05 0.00 -0.02 0.00 -1.83 0.00 0.00 57.00 55.10 2kcd n GLN 74 Cb 0.60 -1.00 -0.01 0.00 -0.86 0.00 0.00 30.24 28.97 2kcd n GLN 74 CO 0.00 0.00 0.00 1.17 -1.83 0.00 0.00 177.06 176.40 2kcd n LYS 75 N -0.31 0.05 -3.30 2.61 4.81 -1.26 -5.13 118.16 115.62 2kcd n LYS 75 Ca 0.00 0.01 0.00 0.00 -0.87 0.00 0.00 58.31 57.46 2kcd n LYS 75 Cb 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 35.03 34.11 2kcd n LYS 75 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kcd n GLN 76 N -2.66 0.27 -2.14 1.64 10.64 -0.67 -5.14 117.38 119.33 2kcd n GLN 76 Ca -0.04 -0.76 -0.41 0.00 -1.83 0.00 0.00 57.00 53.96 2kcd n GLN 76 Cb 0.54 1.13 -0.02 0.00 -0.86 0.00 0.00 30.24 31.03 2kcd n GLN 76 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 2kcd s LEU 77 N 0.00 4.43 -0.21 2.61 2.96 -1.26 -0.35 118.68 126.86 2kcd s LEU 77 Ca 0.19 2.62 -0.12 0.00 -0.22 0.00 0.00 54.13 56.61 2kcd s LEU 77 Cb -0.01 -3.64 -0.09 0.00 0.50 0.00 0.00 46.19 42.95 2kcd s LEU 77 CO 0.01 -0.52 -0.29 -0.38 -1.32 0.00 0.00 176.35 173.85 2kcd n ILE 78 N 1.20 1.29 -3.50 6.68 2.08 -0.16 -4.77 119.36 122.18 2kcd n ILE 78 Ca 0.01 -0.22 -0.10 0.00 0.56 0.00 0.00 62.75 63.01 2kcd n ILE 78 Cb 0.42 -1.89 -0.03 0.00 -0.75 0.00 0.00 39.64 37.39 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 -2.48 -1.80 0.06 -1.39 0.00 0.60 0.39 121.76 117.14 2kcd s ALA 79 Ca -0.30 1.03 0.05 0.00 0.00 0.00 0.00 51.96 52.74 2kcd s ALA 79 Cb 0.10 0.31 -0.03 0.00 0.00 0.00 0.00 23.12 23.51 2kcd s ALA 79 CO 0.39 -0.63 -0.15 0.96 0.00 0.00 0.00 175.76 176.34 2kcd s ILE 80 N -2.81 1.15 -0.01 0.00 -4.36 -1.04 0.31 121.20 114.44 2kcd s ILE 80 Ca 0.02 -1.19 -0.29 0.00 -0.26 0.00 0.00 60.65 58.94 2kcd s ILE 80 Cb -0.01 -1.07 0.10 0.00 1.25 0.00 0.00 42.46 42.73 2kcd s ILE 80 CO -0.07 -0.12 1.28 -0.83 0.24 0.00 0.00 174.94 175.44 2kcd s GLY 81 N -1.49 -0.21 0.09 6.27 0.00 -1.08 -2.74 107.32 108.16 2kcd s GLY 81 Ca -0.00 0.23 -0.16 0.00 0.00 0.00 0.00 44.72 44.79 2kcd s GLY 81 CO 0.02 3.65 0.38 -0.11 0.00 0.00 0.00 173.10 177.04 2kcd s PHE 82 N -2.15 -0.19 -0.19 1.90 -0.71 -0.97 -1.79 117.98 113.88 2kcd s PHE 82 Ca 0.24 -0.05 -0.06 0.00 -1.04 0.00 0.00 56.93 56.02 2kcd s PHE 82 Cb 0.01 0.21 -0.03 0.00 -1.21 0.00 0.00 43.02 42.00 2kcd s PHE 82 CO -0.01 -0.64 0.04 0.42 -1.34 0.00 0.00 175.22 173.68 2kcd s ILE 83 N -3.34 4.41 0.64 -4.49 1.01 -1.11 -2.29 121.20 116.03 2kcd s ILE 83 Ca 0.00 -0.16 -0.00 0.00 0.00 0.00 0.00 60.65 60.49 2kcd s ILE 83 Cb 0.01 -2.99 0.13 0.00 0.01 0.00 0.00 42.46 39.61 2kcd s ILE 83 CO -0.09 0.44 0.87 -0.90 0.00 0.00 0.00 174.94 175.27 2kcd n ASP 84 N 3.91 1.19 0.28 3.58 5.68 -1.24 -1.84 116.55 128.11 2kcd n ASP 84 Ca -0.17 -2.00 0.16 0.00 -0.50 0.00 0.00 54.79 52.27 2kcd n ASP 84 Cb 0.52 -0.56 0.79 0.00 -1.14 0.00 0.00 41.12 40.72 2kcd n ASP 84 CO 0.00 0.00 0.00 1.05 -1.33 0.00 0.00 177.20 176.92 2kcd h GLU 85 N 0.00 0.00 -0.37 0.11 4.11 -1.74 -0.79 114.58 115.90 2kcd h GLU 85 Ca -0.29 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.14 2kcd h GLU 85 Cb 1.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.32 2kcd h GLU 85 CO 0.31 0.08 0.00 0.09 0.07 0.00 0.00 179.01 179.56 2kcd n ASN 86 N -3.38 2.04 0.00 3.06 3.02 -1.26 -5.02 115.26 113.72 2kcd n ASN 86 Ca -0.01 -1.98 0.00 0.00 -0.03 0.00 0.00 54.58 52.56 2kcd n ASN 86 Cb 0.24 -0.25 0.00 0.00 -0.61 0.00 0.00 39.78 39.16 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 -2.62 0.00 0.00 177.26 176.21 2kcd n HIS 87 N 0.61 0.00 -1.86 3.10 -0.00 -0.30 -5.03 115.22 111.73 2kcd n HIS 87 Ca 0.13 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.31 2kcd n HIS 87 Cb 0.33 0.03 0.00 0.00 -0.12 0.00 0.00 29.99 30.23 2kcd n HIS 87 CO 0.00 0.00 0.00 -3.47 0.46 0.00 0.00 176.34 173.33 2kcd n ASP 88 N 1.52 -9.12 -4.69 0.26 2.03 -1.26 -3.64 116.55 101.64 2kcd n ASP 88 Ca 0.00 1.36 -0.42 0.00 0.52 0.00 0.00 54.79 56.25 2kcd n ASP 88 Cb 0.00 -5.12 -0.03 0.00 -0.72 0.00 0.00 41.12 35.25 2kcd n ASP 88 CO 0.00 0.00 0.00 -0.04 -1.92 0.00 0.00 177.20 175.24 2kcd s MET 89 N -2.43 4.46 -0.40 -0.67 -1.94 -1.26 -4.27 119.30 112.79 2kcd s MET 89 Ca 0.00 1.36 -0.15 0.00 -1.71 0.00 0.00 55.69 55.19 2kcd s MET 89 Cb 0.00 -3.52 0.02 0.00 2.01 0.00 0.00 34.83 33.34 2kcd s MET 89 CO 0.00 -0.22 0.29 0.34 -0.01 0.00 0.00 175.02 175.42 2kcd s ASP 90 N 1.06 6.08 -0.24 3.03 2.15 -0.97 -4.97 116.67 122.82 2kcd s ASP 90 Ca 0.48 -0.85 -0.10 0.00 0.43 0.00 0.00 52.55 52.52 2kcd s ASP 90 Cb -0.19 -2.15 -0.05 0.00 -0.30 0.00 0.00 42.92 40.23 2kcd s ASP 90 CO 0.21 -0.42 0.14 -0.36 -0.17 0.00 0.00 175.17 174.56 2kcd s PHE 91 N 1.68 3.27 -0.10 -5.34 0.08 -1.26 -2.28 117.98 114.02 2kcd s PHE 91 Ca 0.05 0.11 0.19 0.00 0.12 0.00 0.00 56.93 57.40 2kcd s PHE 91 Cb -0.19 -2.25 -0.27 0.00 -0.57 0.00 0.00 43.02 39.74 2kcd s PHE 91 CO 0.10 0.00 0.27 1.28 -0.10 0.00 0.00 175.22 176.77 2kcd n LEU 92 N 4.34 0.00 -3.58 -0.37 4.77 -1.11 -4.93 117.00 116.12 2kcd n LEU 92 Ca -0.15 0.00 -0.02 0.00 -0.03 0.00 0.00 56.01 55.80 2kcd n LEU 92 Cb 0.52 0.21 -0.05 0.00 -2.33 0.00 0.00 43.42 41.77 2kcd n LEU 92 CO 0.34 0.21 0.18 -0.47 -1.33 0.00 0.00 177.39 176.33 2kcd s TYR 93 N -2.97 -1.24 -0.17 -1.77 5.04 -1.26 -4.28 117.35 110.72 2kcd s TYR 93 Ca -0.08 2.03 -0.03 0.00 -2.44 0.00 0.00 57.07 56.55 2kcd s TYR 93 Cb 0.10 0.64 -0.02 0.00 0.35 0.00 0.00 41.96 43.03 2kcd s TYR 93 CO 0.80 -0.65 -0.07 -1.17 -1.34 0.00 0.00 175.55 173.12 2kcd s LEU 94 N 2.82 2.99 -0.18 6.97 2.96 -1.15 -2.48 118.68 130.62 2kcd s LEU 94 Ca -0.01 -0.26 -0.01 0.00 -0.22 0.00 0.00 54.13 53.62 2kcd s LEU 94 Cb -0.12 -1.72 0.05 0.00 0.50 0.00 0.00 46.19 44.90 2kcd s LEU 94 CO -0.18 0.11 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.68 2kcd s HIS 95 N 0.68 1.39 0.15 5.38 5.65 0.16 -3.67 115.29 125.03 2kcd s HIS 95 Ca -0.04 -0.97 -0.10 0.00 0.25 0.00 0.00 55.06 54.20 2kcd s HIS 95 Cb -0.15 -1.17 -0.06 0.00 -1.18 0.00 0.00 32.58 30.02 2kcd s HIS 95 CO 0.02 -0.60 0.47 -0.80 -0.65 0.00 0.00 174.74 173.18 2kcd s ASN 96 N 1.74 6.65 0.33 9.88 0.01 -1.22 -4.46 114.94 127.87 2kcd s ASN 96 Ca -0.00 0.85 0.11 0.00 -0.71 0.00 0.00 52.86 53.11 2kcd s ASN 96 Cb -0.16 -2.20 0.58 0.00 0.41 0.00 0.00 41.25 39.88 2kcd s ASN 96 CO -0.07 0.06 1.20 0.35 -1.51 0.00 0.00 177.10 177.12 2kcd n THR 97 N 0.40 0.49 -0.11 1.60 -2.24 -1.26 -1.65 114.28 111.50 2kcd n THR 97 Ca -0.04 0.75 -0.22 0.00 -2.27 0.00 0.00 64.05 62.27 2kcd n THR 97 Cb 0.52 -1.75 -0.07 0.00 -2.10 0.00 0.00 70.33 66.93 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 -2.00 1.33 -3.62 2.28 3.14 -1.26 -5.08 118.33 113.12 2kcd n VAL 98 Ca -0.01 -0.24 -0.07 0.00 -2.96 0.00 0.00 64.34 61.06 2kcd n VAL 98 Cb 0.40 -1.90 -0.06 0.00 -1.06 0.00 0.00 33.84 31.23 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 2kcd s MET 99 N -2.49 0.39 0.42 1.45 0.00 -0.66 -5.16 119.30 113.25 2kcd s MET 99 Ca -0.32 0.23 -0.24 0.00 0.00 0.00 0.00 55.69 55.36 2kcd s MET 99 Cb 0.11 0.18 -0.08 0.00 0.00 0.00 0.00 34.83 35.04 2kcd s MET 99 CO 0.41 -0.09 1.17 -1.25 0.00 0.00 0.00 175.02 175.25 2kcd s PRO 100 N -0.54 3.94 -0.22 3.16 0.04 -1.26 -3.39 135.00 136.73 2kcd s PRO 100 Ca 0.03 1.81 -0.16 0.00 0.04 0.00 0.00 61.00 62.72 2kcd s PRO 100 Cb -0.03 -2.57 -0.11 0.00 0.04 0.00 0.00 34.50 31.83 2kcd s PRO 100 CO -0.05 -0.41 -0.17 1.28 0.04 0.00 0.00 177.00 177.69 2kcd n LEU 101 N -0.15 1.90 -4.19 -3.56 4.77 -1.24 -4.93 117.00 109.60 2kcd n LEU 101 Ca 0.05 0.41 -0.28 0.00 -0.03 0.00 0.00 56.01 56.16 2kcd n LEU 101 Cb 0.47 -0.85 -0.16 0.00 -2.33 0.00 0.00 43.42 40.55 2kcd n LEU 101 CO 0.49 0.15 -0.53 -0.76 -1.33 0.00 0.00 177.39 175.41 2kcd s LEU 102 N -7.81 1.98 -0.37 2.23 1.43 -1.26 -5.09 118.68 109.80 2kcd s LEU 102 Ca -0.30 -0.42 0.03 0.00 -1.03 0.00 0.00 54.13 52.40 2kcd s LEU 102 Cb 0.08 -1.15 0.16 0.00 0.03 0.00 0.00 46.19 45.31 2kcd s LEU 102 CO 0.46 0.19 0.38 -0.62 0.23 0.00 0.00 176.35 176.99 2kcd s ASP 103 N -0.05 1.16 -0.27 2.29 -1.08 -1.26 -2.91 116.67 114.55 2kcd s ASP 103 Ca -0.04 -1.58 -0.04 0.00 -0.52 0.00 0.00 52.55 50.36 2kcd s ASP 103 Cb -0.13 0.56 0.01 0.00 -1.46 0.00 0.00 42.92 41.91 2kcd s ASP 103 CO 0.03 -0.26 0.01 -1.10 0.52 0.00 0.00 175.17 174.37 2kcd s GLN 104 N 1.43 3.04 0.28 4.34 -1.52 -1.26 -4.97 119.66 120.99 2kcd s GLN 104 Ca 0.17 -0.86 0.02 0.00 -1.95 0.00 0.00 55.36 52.73 2kcd s GLN 104 Cb -0.15 -3.18 0.41 0.00 -0.22 0.00 0.00 33.01 29.87 2kcd s GLN 104 CO -0.03 -0.39 1.74 0.00 -0.25 0.00 0.00 175.29 176.36 2kcd h ARG 105 N 8.13 0.56 -0.29 2.91 3.08 -1.99 -2.71 114.38 124.06 2kcd h ARG 105 Ca -0.33 -0.19 0.06 0.00 0.07 0.00 0.00 59.98 59.59 2kcd h ARG 105 Cb 1.12 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 31.08 2kcd h ARG 105 CO 0.59 0.71 -0.05 1.88 -1.07 0.00 0.00 179.97 182.03 2kcd h TYR 106 N 0.50 -0.12 -0.62 3.04 0.05 -1.96 0.24 116.97 118.11 2kcd h TYR 106 Ca 0.08 0.02 -0.08 0.00 0.05 0.00 0.00 58.73 58.81 2kcd h TYR 106 Cb 0.59 0.10 -0.02 0.00 1.01 0.00 0.00 36.73 38.41 2kcd h TYR 106 CO 0.02 -0.11 0.06 -0.07 -1.05 0.00 0.00 178.16 177.02 2kcd h LEU 107 N 0.02 1.01 -0.40 3.88 4.07 -1.87 2.34 115.31 124.37 2kcd h LEU 107 Ca 0.14 -0.28 -0.01 0.00 0.08 0.00 0.00 57.88 57.81 2kcd h LEU 107 Cb 0.21 -0.27 -0.02 0.00 1.08 0.00 0.00 40.66 41.66 2kcd h LEU 107 CO -0.28 1.04 0.20 0.25 -1.08 0.00 0.00 178.44 178.57 2kcd h LEU 108 N 0.95 0.52 -0.01 1.67 6.46 -0.99 -2.80 115.31 121.11 2kcd h LEU 108 Ca 0.18 -0.12 0.00 0.00 -0.12 0.00 0.00 57.88 57.83 2kcd h LEU 108 Cb 0.48 -0.13 0.00 0.00 -0.73 0.00 0.00 40.66 40.28 2kcd h LEU 108 CO 0.02 0.49 -0.68 0.41 -0.62 0.00 0.00 178.44 178.06 2kcd n THR 109 N -4.70 0.00 -0.39 1.05 -1.04 0.75 -4.80 114.28 105.15 2kcd n THR 109 Ca 0.00 -0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2kcd n THR 109 Cb 0.10 0.53 0.00 0.00 -1.82 0.00 0.00 70.33 69.14 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 1.50 2.18 4.47 3.41 0.00 0.78 -4.90 105.19 112.63 2kcd n GLY 110 Ca 0.05 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.09 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 -2.00 -0.40 3.77 -0.02 0.00 -0.43 -4.60 105.19 101.50 2kcd n GLY 111 Ca 0.00 -0.33 -0.39 0.00 0.00 0.00 0.00 46.02 45.31 2kcd n GLY 111 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2kcd s GLN 112 N -0.54 4.33 0.20 1.61 -0.21 -1.26 -5.00 119.66 118.80 2kcd s GLN 112 Ca 0.00 1.77 -0.30 0.00 0.02 0.00 0.00 55.36 56.85 2kcd s GLN 112 Cb 0.00 -2.87 -0.08 0.00 1.00 0.00 0.00 33.01 31.06 2kcd s GLN 112 CO 0.00 -0.05 1.04 -0.48 -2.12 0.00 0.00 175.29 173.68 2kcd s LEU 113 N -2.07 4.53 -0.31 2.90 2.34 -1.26 -5.00 118.68 119.82 2kcd s LEU 113 Ca 0.52 2.04 -0.25 0.00 0.06 0.00 0.00 54.13 56.50 2kcd s LEU 113 Cb -0.30 -3.61 0.01 0.00 -0.56 0.00 0.00 46.19 41.73 2kcd s LEU 113 CO 0.38 -0.10 0.87 -0.70 -1.06 0.00 0.00 176.35 175.73 2kcd s GLU 114 N -0.66 3.99 0.16 1.48 2.56 -1.26 -4.89 118.70 120.08 2kcd s GLU 114 Ca 0.46 0.72 0.25 0.00 0.00 0.00 0.00 54.97 56.40 2kcd s GLU 114 Cb -0.28 -3.73 0.58 0.00 2.00 0.00 0.00 34.13 32.69 2kcd s GLU 114 CO 0.35 -0.74 1.54 -2.39 -0.56 0.00 0.00 175.26 173.46 2kcd n HIS 115 N 6.38 0.73 -2.94 5.30 1.44 -1.26 -4.80 115.22 120.07 2kcd n HIS 115 Ca 0.06 0.21 -0.40 0.00 -2.01 0.00 0.00 57.72 55.58 2kcd n HIS 115 Cb 0.48 -0.79 -0.04 0.00 0.12 0.00 0.00 29.99 29.76 2kcd n HIS 115 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 2kcd s HIS 116 N -3.13 3.65 -0.34 -1.40 5.04 -1.26 -5.03 115.29 112.81 2kcd s HIS 116 Ca 0.08 1.44 -0.08 0.00 -1.54 0.00 0.00 55.06 54.96 2kcd s HIS 116 Cb 0.13 -2.89 0.03 0.00 0.04 0.00 0.00 32.58 29.89 2kcd s HIS 116 CO 0.66 0.13 0.14 -1.58 -2.34 0.00 0.00 174.74 171.74 2kcd s HIS 117 N 0.56 3.23 -0.14 3.88 2.46 -1.26 -5.08 115.29 118.95 2kcd s HIS 117 Ca 0.42 -1.18 -0.17 0.00 0.47 0.00 0.00 55.06 54.60 2kcd s HIS 117 Cb -0.20 -2.33 -0.04 0.00 -0.13 0.00 0.00 32.58 29.88 2kcd s HIS 117 CO 0.22 -0.67 0.44 -1.58 -2.47 0.00 0.00 174.74 170.68 2kcd s HIS 118 N 1.47 3.49 -0.04 3.88 5.04 -1.26 -5.05 115.29 122.82 2kcd s HIS 118 Ca 0.00 0.81 -0.28 0.00 -1.54 0.00 0.00 55.06 54.05 2kcd s HIS 118 Cb -0.19 -2.52 -0.03 0.00 0.04 0.00 0.00 32.58 29.88 2kcd s HIS 118 CO 0.04 0.15 0.91 -1.58 -2.34 0.00 0.00 174.74 171.92 2kcd s HIS 119 N 0.69 3.61 0.00 3.88 2.46 -1.26 -5.31 115.29 119.36 2kcd s HIS 119 Ca 0.24 1.55 0.00 0.00 0.47 0.00 0.00 55.06 57.32 2kcd s HIS 119 Cb -0.15 -3.04 0.00 0.00 -0.13 0.00 0.00 32.58 29.26 2kcd s HIS 119 CO 0.09 -0.03 0.00 1.58 -2.47 0.00 0.00 174.74 173.91