#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kcd n THR 2 N 0.00 0.00 -0.28 1.12 5.66 -1.26 -5.01 114.28 114.52 2kcd n THR 2 Ca 0.00 0.00 -0.06 0.00 -3.05 0.00 0.00 64.05 60.94 2kcd n THR 2 Cb 0.00 0.00 0.06 0.00 -1.55 0.00 0.00 70.33 68.84 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -3.05 0.00 0.00 175.07 171.95 2kcd h LEU 3 N 0.00 1.03 -0.44 1.09 3.38 -2.04 -2.16 115.31 116.17 2kcd h LEU 3 Ca 0.00 -0.16 0.03 0.00 0.09 0.00 0.00 57.88 57.84 2kcd h LEU 3 Cb 0.00 -0.27 -0.04 0.00 0.09 0.00 0.00 40.66 40.45 2kcd h LEU 3 CO 0.00 0.91 0.23 -0.33 0.09 0.00 0.00 178.44 179.34 2kcd h GLU 4 N 1.09 0.44 -0.54 1.13 4.39 -1.99 0.24 114.58 119.35 2kcd h GLU 4 Ca 0.25 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.89 2kcd h GLU 4 Cb 0.19 -0.10 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2kcd h GLU 4 CO -0.02 0.29 0.20 1.25 -1.16 0.00 0.00 179.01 179.57 2kcd h LEU 5 N 0.46 0.75 -0.65 1.33 5.85 -1.89 -1.88 115.31 119.27 2kcd h LEU 5 Ca 0.19 -0.18 -0.08 0.00 0.84 0.00 0.00 57.88 58.65 2kcd h LEU 5 Cb 0.08 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.89 2kcd h LEU 5 CO -0.12 0.73 0.09 1.56 -0.34 0.00 0.00 178.44 180.36 2kcd h GLN 6 N 0.73 1.08 -0.46 1.25 4.20 -0.80 -1.65 115.11 119.47 2kcd h GLN 6 Ca 0.18 -0.30 -0.02 0.00 0.06 0.00 0.00 58.65 58.57 2kcd h GLN 6 Cb 0.22 -0.12 -0.02 0.00 0.30 0.00 0.00 27.48 27.86 2kcd h GLN 6 CO -0.01 1.00 0.22 1.25 -0.67 0.00 0.00 178.83 180.62 2kcd h LEU 7 N 1.00 0.60 -0.63 1.46 5.85 -0.28 0.16 115.31 123.48 2kcd h LEU 7 Ca 0.20 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.74 2kcd h LEU 7 Cb 0.45 -0.16 -0.03 0.00 0.37 0.00 0.00 40.66 41.30 2kcd h LEU 7 CO 0.01 0.57 0.22 0.11 -0.34 0.00 0.00 178.44 179.01 2kcd h LYS 8 N 0.60 0.97 -0.48 1.25 1.57 -1.18 -1.42 116.57 117.88 2kcd h LYS 8 Ca 0.16 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 2kcd h LYS 8 Cb 0.12 -0.15 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 2kcd h LYS 8 CO -0.02 0.84 0.03 0.45 -0.57 0.00 0.00 179.45 180.18 2kcd h HIS 9 N 0.90 0.90 -0.14 -1.35 3.86 -0.93 -0.98 115.15 117.41 2kcd h HIS 9 Ca 0.21 -0.14 -0.00 0.00 -1.16 0.00 0.00 60.37 59.27 2kcd h HIS 9 Cb 0.26 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.48 2kcd h HIS 9 CO 0.02 0.84 0.07 -0.92 0.86 0.00 0.00 177.93 178.80 2kcd h TYR 10 N 0.69 0.20 -0.46 2.45 5.03 -0.40 0.18 116.97 124.66 2kcd h TYR 10 Ca 0.14 -0.01 -0.04 0.00 2.58 0.00 0.00 58.73 61.41 2kcd h TYR 10 Cb 0.46 -0.06 -0.02 0.00 1.55 0.00 0.00 36.73 38.66 2kcd h TYR 10 CO 0.03 0.23 0.15 0.82 -1.32 0.00 0.00 178.16 178.07 2kcd h ILE 11 N 0.11 1.22 -0.25 1.81 2.04 -1.19 -2.04 117.51 119.21 2kcd h ILE 11 Ca 0.05 -0.74 -0.08 0.00 1.00 0.00 0.00 64.86 65.09 2kcd h ILE 11 Cb 0.10 0.84 -0.01 0.00 -0.74 0.00 0.00 36.82 37.01 2kcd h ILE 11 CO -0.01 0.27 -0.18 0.71 0.00 0.00 0.00 178.15 178.94 2kcd h THR 12 N 0.60 1.24 0.32 -0.27 1.35 -1.02 -0.98 112.91 114.15 2kcd h THR 12 Ca 0.15 -1.09 -0.02 0.00 -0.55 0.00 0.00 66.41 64.90 2kcd h THR 12 Cb 0.26 1.25 0.00 0.00 -1.73 0.00 0.00 68.15 67.94 2kcd h THR 12 CO -0.01 0.35 -0.15 0.78 -0.25 0.00 0.00 175.52 176.24 2kcd h ASN 13 N 0.40 -0.36 -0.57 5.36 2.35 -0.26 1.70 115.58 124.20 2kcd h ASN 13 Ca 0.07 -0.15 -0.06 0.00 -0.55 0.00 0.00 56.30 55.61 2kcd h ASN 13 Cb 0.55 0.09 -0.02 0.00 0.05 0.00 0.00 38.32 38.99 2kcd h ASN 13 CO 0.04 -0.03 0.13 -0.07 -1.65 0.00 0.00 177.43 175.85 2kcd h LEU 14 N -0.73 0.87 -0.91 1.61 -0.00 -1.34 -2.55 115.31 112.26 2kcd h LEU 14 Ca -0.04 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.60 2kcd h LEU 14 Cb 0.49 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.93 2kcd h LEU 14 CO 0.07 0.88 -0.07 0.49 -0.00 0.00 0.00 178.44 179.81 2kcd n PHE 15 N -4.38 0.00 -3.84 1.13 3.72 -0.38 -4.94 117.46 108.77 2kcd n PHE 15 Ca 0.03 0.00 -0.24 0.00 -0.05 0.00 0.00 57.45 57.18 2kcd n PHE 15 Cb 0.24 -0.03 0.00 0.00 -0.94 0.00 0.00 39.48 38.75 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 0.05 -1.05 -4.74 4.37 3.02 0.56 -4.94 115.26 112.53 2kcd n ASN 16 Ca 0.17 -0.94 -0.36 0.00 -0.03 0.00 0.00 54.58 53.42 2kcd n ASN 16 Cb 0.37 -3.44 -0.07 0.00 -0.61 0.00 0.00 39.78 36.02 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 -6.81 4.24 0.17 3.41 1.43 -0.00 -5.00 118.68 116.11 2kcd s LEU 17 Ca 0.04 0.38 -0.33 0.00 -1.03 0.00 0.00 54.13 53.19 2kcd s LEU 17 Cb -0.02 -2.23 -0.16 0.00 0.03 0.00 0.00 46.19 43.82 2kcd s LEU 17 CO 0.86 0.15 1.17 -2.65 0.23 0.00 0.00 176.35 176.11 2kcd n PRO 18 N 3.47 1.16 0.06 1.29 -0.02 -1.26 -4.77 135.00 134.94 2kcd n PRO 18 Ca -0.14 0.41 0.12 0.00 -2.02 0.00 0.00 63.50 61.87 2kcd n PRO 18 Cb 0.52 -1.92 0.19 0.00 -0.02 0.00 0.00 33.50 32.27 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 1.80 0.29 0.00 -0.52 3.00 -1.26 -3.68 116.66 116.29 2kcd n ARG 19 Ca 0.15 0.10 0.09 0.00 -0.00 0.00 0.00 57.85 58.19 2kcd n ARG 19 Cb 0.24 -1.70 0.56 0.00 0.00 0.00 0.00 32.46 31.57 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.63 177.38 2kcd n ASP 20 N -2.13 0.00 -4.48 6.15 8.00 -1.26 -4.58 116.55 118.26 2kcd n ASP 20 Ca 0.03 -0.66 -0.38 0.00 0.71 0.00 0.00 54.79 54.49 2kcd n ASP 20 Cb 0.44 0.00 -0.12 0.00 -0.02 0.00 0.00 41.12 41.42 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.39 0.00 0.00 177.20 176.11 2kcd s GLU 21 N -2.00 3.57 0.25 -1.24 2.12 -1.24 -5.07 118.70 115.08 2kcd s GLU 21 Ca 0.28 -0.56 -0.28 0.00 0.36 0.00 0.00 54.97 54.77 2kcd s GLU 21 Cb 0.13 -3.54 -0.09 0.00 0.26 0.00 0.00 34.13 30.89 2kcd s GLU 21 CO 0.22 -0.30 0.91 0.15 -0.54 0.00 0.00 175.26 175.70 2kcd s LYS 22 N 1.65 4.73 0.37 4.30 -0.14 -1.26 -5.06 119.74 124.33 2kcd s LYS 22 Ca 0.06 1.38 0.07 0.00 -1.36 0.00 0.00 55.97 56.12 2kcd s LYS 22 Cb -0.16 -3.15 -0.00 0.00 -1.68 0.00 0.00 37.83 32.84 2kcd s LYS 22 CO 0.07 0.46 0.49 -1.58 -0.76 0.00 0.00 175.35 174.04 2kcd s TRP 23 N -1.29 2.99 -0.23 3.18 0.51 -1.26 -4.94 118.94 117.89 2kcd s TRP 23 Ca 0.43 -0.29 -0.06 0.00 -2.12 0.00 0.00 56.10 54.05 2kcd s TRP 23 Cb -0.23 -2.13 -0.02 0.00 -0.81 0.00 0.00 33.47 30.28 2kcd s TRP 23 CO 0.29 -0.15 0.03 -2.00 -0.51 0.00 0.00 176.95 174.60 2kcd s GLU 24 N -4.23 3.59 0.05 4.98 2.12 -0.97 -4.94 118.70 119.30 2kcd s GLU 24 Ca 0.48 -0.52 -0.22 0.00 0.36 0.00 0.00 54.97 55.08 2kcd s GLU 24 Cb -0.09 -3.19 -0.06 0.00 0.26 0.00 0.00 34.13 31.05 2kcd s GLU 24 CO 0.31 -0.13 0.65 0.00 -0.54 0.00 0.00 175.26 175.55 2kcd s GLU 26 N -0.55 3.38 -0.50 0.00 2.02 0.10 -4.97 118.70 118.18 2kcd s GLU 26 Ca 0.33 -0.64 -0.18 0.00 0.02 0.00 0.00 54.97 54.49 2kcd s GLU 26 Cb -0.20 -3.21 0.06 0.00 0.10 0.00 0.00 34.13 30.89 2kcd s GLU 26 CO 0.20 -0.26 0.58 -1.54 0.02 0.00 0.00 175.26 174.26 2kcd s SER 27 N 1.53 6.21 -0.06 -0.19 1.04 -1.26 -2.73 113.70 118.23 2kcd s SER 27 Ca 0.05 -1.02 -0.07 0.00 0.48 0.00 0.00 55.95 55.39 2kcd s SER 27 Cb -0.15 -2.27 0.02 0.00 0.10 0.00 0.00 66.02 63.71 2kcd s SER 27 CO 0.00 -0.85 0.18 -0.51 0.98 0.00 0.00 173.24 173.05 2kcd s ILE 28 N 2.42 0.02 -0.16 -1.02 2.07 -0.76 -5.06 121.20 118.71 2kcd s ILE 28 Ca 0.13 -0.13 -0.06 0.00 -1.41 0.00 0.00 60.65 59.18 2kcd s ILE 28 Cb -0.20 -0.30 -0.04 0.00 0.13 0.00 0.00 42.46 42.05 2kcd s ILE 28 CO 0.11 -0.07 0.02 -0.70 -1.91 0.00 0.00 174.94 172.39 2kcd s GLU 29 N -0.18 3.76 0.15 3.50 2.12 -1.26 -0.17 118.70 126.61 2kcd s GLU 29 Ca -0.03 -0.41 -0.08 0.00 0.36 0.00 0.00 54.97 54.82 2kcd s GLU 29 Cb -0.02 -3.06 -0.01 0.00 0.26 0.00 0.00 34.13 31.29 2kcd s GLU 29 CO 0.01 0.32 0.24 -1.21 -0.54 0.00 0.00 175.26 174.08 2kcd s GLU 30 N 0.19 1.07 0.39 4.30 2.02 -1.10 -4.86 118.70 120.72 2kcd s GLU 30 Ca 0.02 -1.15 -0.27 0.00 0.02 0.00 0.00 54.97 53.59 2kcd s GLU 30 Cb -0.13 0.36 -0.09 0.00 0.10 0.00 0.00 34.13 34.37 2kcd s GLU 30 CO 0.01 -0.37 1.31 0.08 0.02 0.00 0.00 175.26 176.31 2kcd s VAL 31 N -3.95 2.60 0.33 2.63 1.01 -1.26 -2.41 120.40 119.34 2kcd s VAL 31 Ca 0.15 0.55 0.01 0.00 0.00 0.00 0.00 61.98 62.70 2kcd s VAL 31 Cb 0.04 -3.33 0.24 0.00 0.00 0.00 0.00 36.38 33.33 2kcd s VAL 31 CO -0.02 0.09 1.97 0.00 0.00 0.00 0.00 175.10 177.14 2kcd h ALA 32 N 2.81 1.46 0.00 5.51 0.00 -1.70 -0.30 119.26 127.04 2kcd h ALA 32 Ca -0.50 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2kcd h ALA 32 Cb 1.24 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.77 2kcd h ALA 32 CO 0.63 0.46 0.00 -3.47 0.00 0.00 0.00 179.25 176.87 2kcd n ASP 33 N -4.40 0.21 -0.34 0.00 -0.08 -1.26 0.84 116.55 111.52 2kcd n ASP 33 Ca 0.06 0.55 0.12 0.00 -1.51 0.00 0.00 54.79 54.02 2kcd n ASP 33 Cb 0.07 -0.60 0.26 0.00 2.34 0.00 0.00 41.12 43.19 2kcd n ASP 33 CO 0.00 0.00 0.00 0.47 0.12 0.00 0.00 177.20 177.79 2kcd n ASP 34 N -1.74 1.37 0.00 1.67 8.00 -0.13 -4.37 116.55 121.35 2kcd n ASP 34 Ca 0.03 -1.11 0.00 0.00 0.71 0.00 0.00 54.79 54.42 2kcd n ASP 34 Cb 0.18 0.24 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 -0.39 0.00 0.00 177.20 179.11 2kcd n ILE 35 N -0.42 0.00 -3.71 0.53 -5.35 -0.72 -4.99 119.36 104.70 2kcd n ILE 35 Ca 0.11 0.00 -0.38 0.00 -0.27 0.00 0.00 62.75 62.21 2kcd n ILE 35 Cb 0.39 -0.39 -0.12 0.00 -1.74 0.00 0.00 39.64 37.77 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 -2.26 4.32 0.58 7.28 1.43 0.25 -5.08 118.68 125.20 2kcd s LEU 36 Ca 0.00 -0.98 -0.18 0.00 -1.03 0.00 0.00 54.13 51.94 2kcd s LEU 36 Cb 0.00 -1.92 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 2kcd s LEU 36 CO 0.00 -0.31 0.66 -2.65 0.23 0.00 0.00 176.35 174.28 2kcd n PRO 37 N 4.88 0.61 0.08 1.29 -0.02 -1.26 -4.45 135.00 136.13 2kcd n PRO 37 Ca -0.13 0.24 0.03 0.00 -2.02 0.00 0.00 63.50 61.62 2kcd n PRO 37 Cb 0.46 -1.84 0.13 0.00 -0.02 0.00 0.00 33.50 32.23 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 2kcd n ASP 38 N 0.07 0.13 -0.15 2.55 8.00 -1.26 -0.49 116.55 125.40 2kcd n ASP 38 Ca 0.12 0.36 -0.11 0.00 0.71 0.00 0.00 54.79 55.87 2kcd n ASP 38 Cb 0.48 -0.31 -0.01 0.00 -0.02 0.00 0.00 41.12 41.26 2kcd n ASP 38 CO 0.00 0.00 0.00 -0.61 -0.39 0.00 0.00 177.20 176.20 2kcd h GLN 39 N 0.00 0.92 -0.12 -1.24 5.75 -2.01 -1.67 115.11 116.74 2kcd h GLN 39 Ca 0.00 -0.38 0.00 0.00 -0.15 0.00 0.00 58.65 58.12 2kcd h GLN 39 Cb 0.65 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 29.17 2kcd h GLN 39 CO 0.00 1.04 0.00 0.66 -2.65 0.00 0.00 178.83 177.88 2kcd n TYR 40 N -4.19 0.14 0.47 3.99 4.02 0.36 -4.28 117.16 117.67 2kcd n TYR 40 Ca -0.00 -0.09 0.05 0.00 -0.01 0.00 0.00 57.90 57.85 2kcd n TYR 40 Cb 0.43 -0.00 -0.06 0.00 -0.02 0.00 0.00 39.34 39.69 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 176.86 176.13 2kcd n VAL 41 N 1.10 0.00 0.16 -0.72 0.31 -1.03 -4.47 118.33 113.68 2kcd n VAL 41 Ca 0.13 -0.25 0.06 0.00 -0.01 0.00 0.00 64.34 64.26 2kcd n VAL 41 Cb 0.49 0.97 0.30 0.00 -0.91 0.00 0.00 33.84 34.70 2kcd n VAL 41 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 2kcd n ARG 42 N -1.27 0.08 0.00 5.55 0.63 -0.63 -2.55 116.66 118.47 2kcd n ARG 42 Ca 0.02 0.55 0.00 0.00 -0.92 0.00 0.00 57.85 57.50 2kcd n ARG 42 Cb 0.17 -2.12 0.00 0.00 0.45 0.00 0.00 32.46 30.96 2kcd n ARG 42 CO 0.00 0.00 0.00 1.28 -2.51 0.00 0.00 177.63 176.40 2kcd n LEU 43 N -2.00 0.00 0.00 6.15 4.77 -1.26 -4.98 117.00 119.68 2kcd n LEU 43 Ca -0.01 0.71 0.00 0.00 -0.03 0.00 0.00 56.01 56.68 2kcd n LEU 43 Cb 0.38 -0.21 0.00 0.00 -2.33 0.00 0.00 43.42 41.26 2kcd n LEU 43 CO 0.05 -0.21 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2kcd n GLY 44 N -0.76 2.81 0.34 -0.72 0.00 -1.06 -4.96 105.19 100.84 2kcd n GLY 44 Ca 0.00 -0.41 0.11 0.00 0.00 0.00 0.00 46.02 45.72 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 0.72 -0.00 1.61 0.11 -1.94 0.30 132.00 132.79 2kcd h PRO 45 Ca 0.00 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.07 2kcd h PRO 45 Cb 0.00 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 30.95 2kcd h PRO 45 CO 0.00 0.47 -0.34 1.28 -0.21 0.00 0.00 178.00 179.20 2kcd n LEU 46 N -4.79 0.77 -4.80 2.35 4.77 -1.26 -4.65 117.00 109.39 2kcd n LEU 46 Ca 0.22 -0.13 -0.34 0.00 -0.03 0.00 0.00 56.01 55.73 2kcd n LEU 46 Cb 0.53 -0.18 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2kcd n LEU 46 CO 0.21 0.16 0.70 -0.94 -1.33 0.00 0.00 177.39 176.18 2kcd s SER 47 N -2.70 6.53 0.00 -1.43 1.04 0.10 -3.24 113.70 114.00 2kcd s SER 47 Ca 0.19 1.86 0.00 0.00 0.48 0.00 0.00 55.95 58.48 2kcd s SER 47 Cb 0.19 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.75 2kcd s SER 47 CO 0.59 -0.65 0.00 0.59 0.98 0.00 0.00 173.24 174.75 2kcd n ASN 48 N -0.86 -2.04 -4.80 7.02 5.03 -1.26 -4.87 115.26 113.48 2kcd n ASN 48 Ca 0.09 0.00 -0.38 0.00 0.87 0.00 0.00 54.58 55.15 2kcd n ASN 48 Cb 0.53 -1.72 -0.06 0.00 -1.02 0.00 0.00 39.78 37.51 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 -0.82 4.08 -0.15 3.52 2.47 -1.20 -4.92 119.74 122.72 2kcd s LYS 49 Ca 0.00 0.49 -0.29 0.00 -1.56 0.00 0.00 55.97 54.61 2kcd s LYS 49 Cb 0.00 -3.27 -0.01 0.00 -1.46 0.00 0.00 37.83 33.09 2kcd s LYS 49 CO 0.00 0.56 1.06 0.42 0.16 0.00 0.00 175.35 177.55 2kcd s ILE 50 N -0.71 4.64 -0.04 5.43 -1.09 -1.26 -2.28 121.20 125.89 2kcd s ILE 50 Ca 0.25 1.94 0.06 0.00 -2.23 0.00 0.00 60.65 60.68 2kcd s ILE 50 Cb -0.17 -4.25 -0.02 0.00 -1.58 0.00 0.00 42.46 36.44 2kcd s ILE 50 CO 0.14 -0.08 -0.23 -0.76 -1.23 0.00 0.00 174.94 172.78 2kcd s LEU 51 N 2.60 2.21 -0.43 2.97 1.43 -1.01 -4.93 118.68 121.52 2kcd s LEU 51 Ca 0.48 -0.43 -0.28 0.00 -1.03 0.00 0.00 54.13 52.88 2kcd s LEU 51 Cb -0.18 -1.40 -0.01 0.00 0.03 0.00 0.00 46.19 44.62 2kcd s LEU 51 CO 0.14 0.29 1.72 -1.10 0.23 0.00 0.00 176.35 177.63 2kcd s GLN 52 N -0.44 3.19 -0.09 1.70 -0.21 -1.07 -2.69 119.66 120.06 2kcd s GLN 52 Ca 0.05 1.06 -0.27 0.00 0.02 0.00 0.00 55.36 56.22 2kcd s GLN 52 Cb -0.12 -4.21 -0.02 0.00 1.00 0.00 0.00 33.01 29.66 2kcd s GLN 52 CO 0.01 -2.03 0.86 0.99 -2.12 0.00 0.00 175.29 173.00 2kcd s THR 53 N 7.13 4.91 -0.19 -0.19 2.01 0.76 -2.32 115.64 127.74 2kcd s THR 53 Ca 0.71 1.76 -0.00 0.00 0.31 0.00 0.00 61.69 64.46 2kcd s THR 53 Cb -0.17 -4.19 0.05 0.00 0.01 0.00 0.00 72.50 68.20 2kcd s THR 53 CO 0.30 0.12 -0.04 0.21 -0.69 0.00 0.00 174.62 174.52 2kcd s ASN 54 N 1.01 3.17 0.10 3.53 3.84 -0.67 -1.84 114.94 124.07 2kcd s ASN 54 Ca 0.43 -0.85 0.09 0.00 0.21 0.00 0.00 52.86 52.74 2kcd s ASN 54 Cb -0.18 -0.95 -0.04 0.00 -0.55 0.00 0.00 41.25 39.53 2kcd s ASN 54 CO 0.19 -0.22 -0.22 0.42 -2.79 0.00 0.00 177.10 174.48 2kcd s THR 55 N 1.59 2.56 -0.14 -5.21 -4.23 -1.11 -1.85 115.64 107.26 2kcd s THR 55 Ca -0.02 -1.50 -0.01 0.00 -1.18 0.00 0.00 61.69 58.99 2kcd s THR 55 Cb -0.17 -2.12 -0.01 0.00 1.34 0.00 0.00 72.50 71.54 2kcd s THR 55 CO -0.07 0.18 -0.12 -0.31 -0.54 0.00 0.00 174.62 173.76 2kcd s TYR 56 N -1.03 2.83 -0.11 3.99 1.51 -1.16 0.02 117.35 123.41 2kcd s TYR 56 Ca 0.15 -0.66 0.03 0.00 -1.01 0.00 0.00 57.07 55.58 2kcd s TYR 56 Cb -0.10 -1.87 -0.00 0.00 -0.11 0.00 0.00 41.96 39.88 2kcd s TYR 56 CO 0.07 -0.23 -0.22 0.71 -1.11 0.00 0.00 175.55 174.76 2kcd s TYR 57 N 0.44 2.60 0.12 2.71 1.51 -0.47 -4.28 117.35 119.99 2kcd s TYR 57 Ca -0.09 -1.00 0.01 0.00 -1.01 0.00 0.00 57.07 54.98 2kcd s TYR 57 Cb -0.16 -1.73 -0.04 0.00 -0.11 0.00 0.00 41.96 39.92 2kcd s TYR 57 CO 0.05 -0.39 -0.03 -1.12 -1.11 0.00 0.00 175.55 172.94 2kcd s SER 58 N 0.36 1.08 0.15 2.29 0.01 -1.26 -2.30 113.70 114.03 2kcd s SER 58 Ca -0.17 -1.08 -0.16 0.00 1.31 0.00 0.00 55.95 55.85 2kcd s SER 58 Cb -0.18 0.12 0.02 0.00 0.21 0.00 0.00 66.02 66.19 2kcd s SER 58 CO 0.08 -0.52 1.79 0.44 0.41 0.00 0.00 173.24 175.44 2kcd h ASP 59 N 2.87 0.50 -0.51 2.44 3.32 -2.00 -0.36 116.42 122.69 2kcd h ASP 59 Ca -0.36 -0.05 -0.03 0.00 0.02 0.00 0.00 57.03 56.62 2kcd h ASP 59 Cb 1.18 -0.13 -0.02 0.00 0.22 0.00 0.00 39.33 40.58 2kcd h ASP 59 CO 0.64 0.40 0.20 0.74 -1.72 0.00 0.00 179.24 179.49 2kcd h THR 60 N 0.56 1.22 -0.74 0.35 2.02 -1.99 -2.65 112.91 111.67 2kcd h THR 60 Ca 0.15 -0.68 -0.03 0.00 0.77 0.00 0.00 66.41 66.63 2kcd h THR 60 Cb -0.02 0.71 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 2kcd h THR 60 CO -0.03 0.26 0.36 -0.07 0.37 0.00 0.00 175.52 176.40 2kcd h LEU 61 N 0.68 0.97 -0.87 2.58 3.38 -1.82 -2.13 115.31 118.10 2kcd h LEU 61 Ca 0.17 -0.13 0.04 0.00 0.09 0.00 0.00 57.88 58.05 2kcd h LEU 61 Cb 0.21 -0.25 -0.05 0.00 0.09 0.00 0.00 40.66 40.65 2kcd h LEU 61 CO -0.01 0.83 0.55 0.45 0.09 0.00 0.00 178.44 180.35 2kcd h HIS 62 N 1.04 1.03 -0.69 1.13 3.86 -0.81 0.52 115.15 121.22 2kcd h HIS 62 Ca 0.25 0.03 -0.04 0.00 -1.16 0.00 0.00 60.37 59.45 2kcd h HIS 62 Cb 0.12 -0.34 -0.03 0.00 1.06 0.00 0.00 27.41 28.22 2kcd h HIS 62 CO 0.01 0.57 0.29 0.87 0.86 0.00 0.00 177.93 180.53 2kcd h LYS 63 N 1.05 1.03 -0.00 2.45 1.57 -1.09 -1.26 116.57 120.32 2kcd h LYS 63 Ca 0.36 -0.18 0.00 0.00 -1.87 0.00 0.00 60.65 58.95 2kcd h LYS 63 Cb 0.06 -0.17 0.00 0.00 0.08 0.00 0.00 32.23 32.20 2kcd h LYS 63 CO -0.13 0.85 -0.03 0.43 -0.57 0.00 0.00 179.45 180.00 2kcd n SER 64 N -4.38 0.05 -3.69 0.86 7.64 -0.60 -4.91 113.62 108.59 2kcd n SER 64 Ca 0.05 0.10 -0.24 0.00 1.01 0.00 0.00 58.87 59.80 2kcd n SER 64 Cb 0.17 -0.34 0.05 0.00 -1.01 0.00 0.00 64.21 63.08 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 -1.36 -3.63 -4.46 6.43 5.15 0.17 -4.38 115.26 113.17 2kcd n ASN 65 Ca 0.11 -0.70 -0.33 0.00 -0.60 0.00 0.00 54.58 53.05 2kcd n ASN 65 Cb 0.29 -4.45 -0.13 0.00 -0.53 0.00 0.00 39.78 34.96 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 1.40 0.00 0.00 177.26 178.03 2kcd s ILE 66 N -3.42 3.47 -0.39 -1.44 1.01 -0.97 -2.54 121.20 116.92 2kcd s ILE 66 Ca 0.33 -0.52 -0.08 0.00 0.00 0.00 0.00 60.65 60.38 2kcd s ILE 66 Cb -0.16 -2.47 0.07 0.00 0.01 0.00 0.00 42.46 39.91 2kcd s ILE 66 CO 0.78 0.53 0.21 -0.31 0.00 0.00 0.00 174.94 176.15 2kcd s TYR 67 N 0.11 3.34 -0.18 3.97 1.51 -1.09 -4.73 117.35 120.27 2kcd s TYR 67 Ca -0.04 -1.57 -0.29 0.00 -1.01 0.00 0.00 57.07 54.16 2kcd s TYR 67 Cb -0.14 -2.78 -0.00 0.00 -0.11 0.00 0.00 41.96 38.92 2kcd s TYR 67 CO 0.04 -0.82 1.07 -1.25 -1.11 0.00 0.00 175.55 173.47 2kcd s PRO 68 N 1.39 4.30 -0.04 -1.71 0.04 -1.26 -2.16 135.00 135.57 2kcd s PRO 68 Ca 0.02 1.42 0.05 0.00 0.04 0.00 0.00 61.00 62.54 2kcd s PRO 68 Cb -0.22 -3.63 -0.02 0.00 0.04 0.00 0.00 34.50 30.67 2kcd s PRO 68 CO 0.02 -0.56 -0.18 -0.06 0.04 0.00 0.00 177.00 176.26 2kcd s PHE 69 N 2.90 2.57 -0.11 0.56 0.40 0.09 -2.98 117.98 121.41 2kcd s PHE 69 Ca 0.47 -0.25 -0.05 0.00 -0.60 0.00 0.00 56.93 56.50 2kcd s PHE 69 Cb -0.17 -1.58 0.05 0.00 0.51 0.00 0.00 43.02 41.83 2kcd s PHE 69 CO 0.11 0.11 0.23 0.42 0.70 0.00 0.00 175.22 176.79 2kcd s ILE 70 N -0.69 -0.25 0.02 0.64 1.01 -0.77 -2.26 121.20 118.89 2kcd s ILE 70 Ca 0.11 0.24 0.03 0.00 0.00 0.00 0.00 60.65 61.03 2kcd s ILE 70 Cb -0.10 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.94 2kcd s ILE 70 CO 0.00 0.10 -0.04 -0.76 0.00 0.00 0.00 174.94 174.24 2kcd s LEU 71 N 1.95 3.32 0.02 2.97 1.43 -1.00 -1.67 118.68 125.70 2kcd s LEU 71 Ca -0.03 -0.11 0.05 0.00 -1.03 0.00 0.00 54.13 53.02 2kcd s LEU 71 Cb -0.11 -1.93 -0.02 0.00 0.03 0.00 0.00 46.19 44.16 2kcd s LEU 71 CO -0.08 0.27 -0.16 -0.31 0.23 0.00 0.00 176.35 176.30 2kcd s TYR 72 N -1.07 1.38 -0.39 0.29 2.02 -0.98 -1.24 117.35 117.36 2kcd s TYR 72 Ca 0.19 -0.32 0.04 0.00 -0.37 0.00 0.00 57.07 56.60 2kcd s TYR 72 Cb -0.11 -0.84 0.18 0.00 -0.40 0.00 0.00 41.96 40.79 2kcd s TYR 72 CO 0.10 0.03 0.74 -0.47 -1.57 0.00 0.00 175.55 174.37 2kcd s TYR 73 N -0.68 -1.39 0.56 2.71 5.04 -1.15 -2.60 117.35 119.84 2kcd s TYR 73 Ca 0.04 0.19 0.00 0.00 -2.44 0.00 0.00 57.07 54.86 2kcd s TYR 73 Cb -0.07 0.26 0.00 0.00 0.35 0.00 0.00 41.96 42.49 2kcd s TYR 73 CO 0.01 -0.95 0.00 1.04 -1.34 0.00 0.00 175.55 174.31 2kcd n GLN 74 N 4.20 -3.47 0.00 4.97 1.13 -1.26 -4.55 117.38 118.40 2kcd n GLN 74 Ca 0.10 2.76 0.00 0.00 -1.94 0.00 0.00 57.00 57.91 2kcd n GLN 74 Cb 0.59 -3.69 0.00 0.00 0.11 0.00 0.00 30.24 27.24 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kcd n LYS 75 N -3.32 0.00 0.00 -1.09 5.02 -1.26 -4.65 118.16 112.86 2kcd n LYS 75 Ca -0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.25 2kcd n LYS 75 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.54 2kcd n LYS 75 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 2kcd n GLN 76 N 0.00 0.00 -2.19 1.97 1.13 -1.26 -5.15 117.38 111.87 2kcd n GLN 76 Ca 0.00 0.00 -0.31 0.00 -1.94 0.00 0.00 57.00 54.75 2kcd n GLN 76 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 30.34 2kcd n GLN 76 CO 0.00 0.00 0.00 -0.48 -1.44 0.00 0.00 177.06 175.14 2kcd s LEU 77 N 0.00 3.43 -0.07 1.08 0.05 -1.26 -2.94 118.68 118.98 2kcd s LEU 77 Ca 0.00 1.36 0.12 0.00 0.05 0.00 0.00 54.13 55.66 2kcd s LEU 77 Cb 0.00 -4.35 -0.19 0.00 -2.05 0.00 0.00 46.19 39.60 2kcd s LEU 77 CO 0.00 -0.72 0.18 -0.38 -0.55 0.00 0.00 176.35 174.88 2kcd n ILE 78 N -2.28 0.38 -3.58 1.48 2.08 -0.37 -4.88 119.36 112.18 2kcd n ILE 78 Ca 0.05 -0.41 -0.13 0.00 0.56 0.00 0.00 62.75 62.83 2kcd n ILE 78 Cb 0.54 -0.19 -0.06 0.00 -0.75 0.00 0.00 39.64 39.18 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 -2.66 -1.88 0.08 -1.39 0.00 -1.26 -1.86 121.76 112.80 2kcd s ALA 79 Ca -0.05 1.64 0.03 0.00 0.00 0.00 0.00 51.96 53.58 2kcd s ALA 79 Cb 0.06 -0.76 -0.03 0.00 0.00 0.00 0.00 23.12 22.40 2kcd s ALA 79 CO 0.54 -0.31 -0.10 0.96 0.00 0.00 0.00 175.76 176.85 2kcd s ILE 80 N -0.62 0.87 0.00 0.00 -4.36 -1.07 -2.36 121.20 113.65 2kcd s ILE 80 Ca -0.03 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 58.88 2kcd s ILE 80 Cb -0.02 -1.17 0.00 0.00 1.25 0.00 0.00 42.46 42.52 2kcd s ILE 80 CO 0.02 -0.48 0.00 0.61 0.24 0.00 0.00 174.94 175.33 2kcd n GLY 81 N 0.84 0.40 2.97 6.27 0.00 -0.96 -2.45 105.19 112.25 2kcd n GLY 81 Ca -0.18 -1.11 -0.10 0.00 0.00 0.00 0.00 46.02 44.64 2kcd n GLY 81 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 2kcd s PHE 82 N -2.00 0.23 -0.23 1.61 -0.12 -0.90 -0.73 117.98 115.84 2kcd s PHE 82 Ca 0.00 -0.45 -0.09 0.00 -0.05 0.00 0.00 56.93 56.34 2kcd s PHE 82 Cb 0.00 -0.17 -0.04 0.00 -0.63 0.00 0.00 43.02 42.18 2kcd s PHE 82 CO 0.00 -0.16 0.12 0.42 -0.05 0.00 0.00 175.22 175.55 2kcd s ILE 83 N -1.23 4.99 -0.28 -4.49 1.01 -0.92 -2.50 121.20 117.78 2kcd s ILE 83 Ca -0.13 0.05 -0.21 0.00 0.00 0.00 0.00 60.65 60.36 2kcd s ILE 83 Cb -0.08 -3.32 -0.01 0.00 0.01 0.00 0.00 42.46 39.06 2kcd s ILE 83 CO -0.01 0.36 0.67 -0.62 0.00 0.00 0.00 174.94 175.34 2kcd s ASP 84 N 1.12 6.58 -1.40 3.58 -1.08 -0.33 -2.66 116.67 122.47 2kcd s ASP 84 Ca 0.06 0.62 -0.06 0.00 -0.52 0.00 0.00 52.55 52.65 2kcd s ASP 84 Cb -0.14 -2.35 0.04 0.00 -1.46 0.00 0.00 42.92 39.00 2kcd s ASP 84 CO 0.04 -0.46 0.83 1.21 0.52 0.00 0.00 175.17 177.32 2kcd n GLU 85 N 5.87 -5.28 -2.90 4.34 2.13 -1.05 -0.73 120.64 123.01 2kcd n GLU 85 Ca 0.00 0.62 -0.20 0.00 0.66 0.00 0.00 57.16 58.24 2kcd n GLU 85 Cb 0.49 -5.33 0.01 0.00 0.27 0.00 0.00 31.44 26.87 2kcd n GLU 85 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 2kcd n ASN 86 N -2.96 -4.81 -3.84 4.31 3.02 -1.25 -4.92 115.26 104.81 2kcd n ASN 86 Ca -0.15 -0.16 -0.08 0.00 -0.03 0.00 0.00 54.58 54.16 2kcd n ASN 86 Cb 0.61 -3.97 -0.02 0.00 -0.61 0.00 0.00 39.78 35.79 2kcd n ASN 86 CO 0.00 0.00 0.00 -2.28 -2.62 0.00 0.00 177.26 172.36 2kcd s HIS 87 N -2.95 -0.17 -0.13 3.10 2.46 0.10 -5.08 115.29 112.62 2kcd s HIS 87 Ca 0.22 -0.26 -0.09 0.00 0.47 0.00 0.00 55.06 55.40 2kcd s HIS 87 Cb -0.11 0.65 0.03 0.00 -0.13 0.00 0.00 32.58 33.03 2kcd s HIS 87 CO 0.27 -1.18 0.18 -3.47 -2.47 0.00 0.00 174.74 168.07 2kcd n ASP 88 N -0.45 -2.42 -4.56 9.88 -0.08 -1.26 -1.19 116.55 116.47 2kcd n ASP 88 Ca -0.05 1.32 -0.42 0.00 -1.51 0.00 0.00 54.79 54.13 2kcd n ASP 88 Cb 0.60 -4.49 -0.06 0.00 2.34 0.00 0.00 41.12 39.50 2kcd n ASP 88 CO 0.00 0.00 0.00 -0.04 0.12 0.00 0.00 177.20 177.28 2kcd s MET 89 N -0.52 3.55 -0.38 -0.67 -1.94 -1.26 -3.16 119.30 114.92 2kcd s MET 89 Ca -0.21 -0.02 -0.15 0.00 -1.71 0.00 0.00 55.69 53.60 2kcd s MET 89 Cb 0.01 -3.87 0.00 0.00 2.01 0.00 0.00 34.83 32.99 2kcd s MET 89 CO 0.57 -0.90 0.36 0.34 -0.01 0.00 0.00 175.02 175.38 2kcd s ASP 90 N 1.92 6.16 -0.41 3.03 -1.08 -1.04 -4.98 116.67 120.26 2kcd s ASP 90 Ca 0.27 -0.48 -0.14 0.00 -0.52 0.00 0.00 52.55 51.67 2kcd s ASP 90 Cb -0.14 -2.19 0.03 0.00 -1.46 0.00 0.00 42.92 39.16 2kcd s ASP 90 CO 0.18 -0.41 0.30 -0.36 0.52 0.00 0.00 175.17 175.39 2kcd s PHE 91 N 1.97 3.24 0.17 -5.34 0.08 -1.26 -2.12 117.98 114.72 2kcd s PHE 91 Ca 0.10 -0.69 -0.12 0.00 0.12 0.00 0.00 56.93 56.34 2kcd s PHE 91 Cb -0.17 -2.64 0.06 0.00 -0.57 0.00 0.00 43.02 39.70 2kcd s PHE 91 CO 0.12 -0.63 1.69 -0.07 -0.10 0.00 0.00 175.22 176.23 2kcd h LEU 92 N 8.62 0.84 -7.15 -0.37 -0.00 -1.86 -3.43 115.31 111.96 2kcd h LEU 92 Ca -0.27 -0.21 -0.11 0.00 -0.00 0.00 0.00 57.88 57.29 2kcd h LEU 92 Cb 1.12 -0.22 -0.28 0.00 -0.00 0.00 0.00 40.66 41.28 2kcd h LEU 92 CO 0.74 0.83 -0.36 -0.47 -0.00 0.00 0.00 178.44 179.18 2kcd s TYR 93 N -5.39 -0.73 -0.20 1.13 5.04 -1.26 -4.47 117.35 111.47 2kcd s TYR 93 Ca -0.13 1.44 -0.02 0.00 -2.44 0.00 0.00 57.07 55.92 2kcd s TYR 93 Cb 0.13 0.27 -0.00 0.00 0.35 0.00 0.00 41.96 42.71 2kcd s TYR 93 CO 0.80 -0.45 -0.10 -1.17 -1.34 0.00 0.00 175.55 173.30 2kcd s LEU 94 N 2.35 2.65 -0.21 6.97 2.96 -0.71 -2.61 118.68 130.08 2kcd s LEU 94 Ca -0.03 -0.47 0.01 0.00 -0.22 0.00 0.00 54.13 53.43 2kcd s LEU 94 Cb -0.11 -1.65 0.04 0.00 0.50 0.00 0.00 46.19 44.97 2kcd s LEU 94 CO -0.12 -0.00 -0.12 -2.28 -1.32 0.00 0.00 176.35 172.50 2kcd s HIS 95 N 1.34 2.69 0.12 5.38 5.65 -0.78 -4.04 115.29 125.65 2kcd s HIS 95 Ca 0.04 -1.78 -0.05 0.00 0.25 0.00 0.00 55.06 53.53 2kcd s HIS 95 Cb -0.14 -1.76 -0.05 0.00 -1.18 0.00 0.00 32.58 29.45 2kcd s HIS 95 CO -0.06 -0.79 0.35 -0.80 -0.65 0.00 0.00 174.74 172.79 2kcd s ASN 96 N 1.31 6.48 0.17 9.88 0.01 -1.26 -4.64 114.94 126.88 2kcd s ASN 96 Ca -0.02 0.56 -0.16 0.00 -0.71 0.00 0.00 52.86 52.53 2kcd s ASN 96 Cb -0.16 -2.08 0.13 0.00 0.41 0.00 0.00 41.25 39.55 2kcd s ASN 96 CO -0.08 0.09 1.21 0.35 -1.51 0.00 0.00 177.10 177.16 2kcd n THR 97 N 0.26 -0.44 -2.69 1.60 -2.24 -1.26 -3.13 114.28 106.38 2kcd n THR 97 Ca -0.04 1.84 -0.08 0.00 -2.27 0.00 0.00 64.05 63.51 2kcd n THR 97 Cb 0.52 -2.40 0.05 0.00 -2.10 0.00 0.00 70.33 66.40 2kcd n THR 97 CO 0.00 0.00 0.00 0.52 -0.57 0.00 0.00 175.07 175.02 2kcd n VAL 98 N -5.11 0.79 -2.68 2.28 0.31 -1.26 -4.94 118.33 107.72 2kcd n VAL 98 Ca 0.07 -2.67 -0.05 0.00 -0.01 0.00 0.00 64.34 61.68 2kcd n VAL 98 Cb 0.29 0.81 0.10 0.00 -0.91 0.00 0.00 33.84 34.12 2kcd n VAL 98 CO 0.00 0.00 0.00 0.80 -1.32 0.00 0.00 176.83 176.31 2kcd n MET 99 N -0.26 0.34 -1.64 5.55 0.00 -1.18 -5.12 117.12 114.80 2kcd n MET 99 Ca 0.06 -0.99 -0.44 0.00 -0.00 0.00 0.00 57.70 56.33 2kcd n MET 99 Cb 0.83 -0.39 -0.04 0.00 0.00 0.00 0.00 33.22 33.62 2kcd n MET 99 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 2kcd n PRO 100 N 0.68 2.44 0.00 2.12 -0.04 -1.26 -4.37 135.00 134.57 2kcd n PRO 100 Ca -0.02 0.85 0.00 0.00 -0.04 0.00 0.00 63.50 64.29 2kcd n PRO 100 Cb 0.73 -2.95 0.00 0.00 -0.04 0.00 0.00 33.50 31.24 2kcd n PRO 100 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 2kcd n LEU 101 N 8.33 0.16 -4.65 1.53 4.77 -1.26 -4.91 117.00 120.97 2kcd n LEU 101 Ca 0.24 0.23 -0.36 0.00 -0.03 0.00 0.00 56.01 56.09 2kcd n LEU 101 Cb 0.38 -0.45 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 2kcd n LEU 101 CO 0.69 -0.45 -0.20 -0.22 -1.33 0.00 0.00 177.39 175.88 2kcd s LEU 102 N -4.23 4.00 -0.42 2.23 0.20 -1.26 -5.03 118.68 114.17 2kcd s LEU 102 Ca 0.00 0.10 0.05 0.00 0.69 0.00 0.00 54.13 54.97 2kcd s LEU 102 Cb 0.00 -2.05 0.17 0.00 -0.43 0.00 0.00 46.19 43.88 2kcd s LEU 102 CO 0.00 0.11 0.52 1.51 -0.29 0.00 0.00 176.35 178.20 2kcd s ASP 103 N 0.79 -0.13 -0.34 3.68 -4.77 -1.26 -1.73 116.67 112.91 2kcd s ASP 103 Ca 0.06 -1.57 -0.11 0.00 -3.30 0.00 0.00 52.55 47.64 2kcd s ASP 103 Cb -0.13 1.13 0.00 0.00 -1.09 0.00 0.00 42.92 42.83 2kcd s ASP 103 CO 0.02 -0.18 0.19 -1.10 0.70 0.00 0.00 175.17 174.80 2kcd s GLN 104 N 1.26 3.20 -0.05 2.11 -0.21 -1.26 -4.95 119.66 119.75 2kcd s GLN 104 Ca 0.21 -0.82 -0.16 0.00 0.02 0.00 0.00 55.36 54.61 2kcd s GLN 104 Cb -0.07 -3.66 -0.31 0.00 1.00 0.00 0.00 33.01 29.97 2kcd s GLN 104 CO -0.06 -0.51 0.74 0.00 -2.12 0.00 0.00 175.29 173.33 2kcd h ARG 105 N 8.41 0.34 -0.46 2.91 3.08 -1.99 -2.90 114.38 123.78 2kcd h ARG 105 Ca -0.30 -0.59 -0.01 0.00 0.07 0.00 0.00 59.98 59.16 2kcd h ARG 105 Cb 1.13 0.22 -0.02 0.00 0.08 0.00 0.00 29.97 31.38 2kcd h ARG 105 CO 0.64 1.28 0.26 0.10 -1.07 0.00 0.00 179.97 181.18 2kcd h TYR 106 N -0.15 0.61 -0.49 3.04 -0.00 -1.92 0.21 116.97 118.27 2kcd h TYR 106 Ca -0.27 -0.01 -0.02 0.00 -0.00 0.00 0.00 58.73 58.44 2kcd h TYR 106 Cb 1.88 -0.20 -0.02 0.00 -0.00 0.00 0.00 36.73 38.39 2kcd h TYR 106 CO 0.14 0.44 0.24 1.25 -0.00 0.00 0.00 178.16 180.23 2kcd h LEU 107 N 0.60 0.65 -0.36 0.10 5.85 -1.69 0.15 115.31 120.61 2kcd h LEU 107 Ca 0.16 -0.13 -0.02 0.00 0.84 0.00 0.00 57.88 58.73 2kcd h LEU 107 Cb 0.02 -0.17 -0.02 0.00 0.37 0.00 0.00 40.66 40.87 2kcd h LEU 107 CO -0.03 0.59 0.14 0.25 -0.34 0.00 0.00 178.44 179.05 2kcd h LEU 108 N 0.65 0.50 -3.35 2.25 7.12 -1.23 -2.43 115.31 118.83 2kcd h LEU 108 Ca 0.17 -0.17 -0.34 0.00 0.13 0.00 0.00 57.88 57.66 2kcd h LEU 108 Cb 0.12 -0.13 -0.20 0.00 -0.53 0.00 0.00 40.66 39.92 2kcd h LEU 108 CO -0.02 0.54 0.43 0.41 -0.13 0.00 0.00 178.44 179.67 2kcd n THR 109 N -4.67 2.50 -3.37 1.05 -1.04 0.70 -4.81 114.28 104.63 2kcd n THR 109 Ca -0.01 -1.31 0.03 0.00 -2.04 0.00 0.00 64.05 60.73 2kcd n THR 109 Cb 0.15 -0.62 -0.05 0.00 -1.82 0.00 0.00 70.33 67.99 2kcd n THR 109 CO 0.00 0.00 0.00 -0.83 -0.64 0.00 0.00 175.07 173.60 2kcd s GLY 110 N -0.59 0.50 0.00 3.41 0.00 0.49 -4.94 107.32 106.19 2kcd s GLY 110 Ca 0.39 3.82 0.00 0.00 0.00 0.00 0.00 44.72 48.93 2kcd s GLY 110 CO 0.08 3.14 0.32 0.61 0.00 0.00 0.00 173.10 177.25 2kcd n GLY 111 N 3.86 -0.38 3.60 0.20 0.00 -1.26 -3.99 105.19 107.23 2kcd n GLY 111 Ca -0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.53 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 0.00 3.99 0.42 1.61 -0.21 -1.26 -4.91 119.66 119.29 2kcd s GLN 112 Ca 0.00 -0.17 -0.23 0.00 0.02 0.00 0.00 55.36 54.98 2kcd s GLN 112 Cb 0.00 -3.65 -0.09 0.00 1.00 0.00 0.00 33.01 30.27 2kcd s GLN 112 CO 0.00 -0.20 1.04 -0.51 -2.12 0.00 0.00 175.29 173.50 2kcd s LEU 113 N 1.84 4.07 -0.00 2.90 1.43 -1.26 -4.96 118.68 122.69 2kcd s LEU 113 Ca 0.10 2.00 -0.30 0.00 -1.03 0.00 0.00 54.13 54.90 2kcd s LEU 113 Cb -0.16 -4.28 -0.06 0.00 0.03 0.00 0.00 46.19 41.72 2kcd s LEU 113 CO 0.10 -0.55 1.56 -1.61 0.23 0.00 0.00 176.35 176.09 2kcd s GLU 114 N -2.68 4.22 0.07 1.70 0.41 -1.26 -4.97 118.70 116.19 2kcd s GLU 114 Ca 0.60 2.15 -0.24 0.00 -0.41 0.00 0.00 54.97 57.07 2kcd s GLU 114 Cb -0.20 -3.73 0.06 0.00 -1.78 0.00 0.00 34.13 28.48 2kcd s GLU 114 CO 0.25 -0.73 0.57 -3.38 -0.49 0.00 0.00 175.26 171.49 2kcd s HIS 115 N 3.09 -0.50 -0.77 1.61 -3.43 -1.26 -5.05 115.29 108.98 2kcd s HIS 115 Ca 0.70 0.52 -0.01 0.00 -0.80 0.00 0.00 55.06 55.47 2kcd s HIS 115 Cb -0.34 0.43 0.38 0.00 -1.43 0.00 0.00 32.58 31.62 2kcd s HIS 115 CO 0.29 -0.71 1.96 1.58 -2.00 0.00 0.00 174.74 175.86 2kcd n HIS 116 N 0.19 3.06 0.00 0.38 -0.00 -1.26 -5.01 115.22 112.59 2kcd n HIS 116 Ca -0.18 -2.54 0.00 0.00 0.46 0.00 0.00 57.72 55.46 2kcd n HIS 116 Cb 0.61 -1.17 0.00 0.00 -0.12 0.00 0.00 29.99 29.31 2kcd n HIS 116 CO 0.00 0.00 0.00 1.58 0.46 0.00 0.00 176.34 178.38 2kcd n HIS 117 N -0.63 0.00 -3.19 1.57 -0.00 -1.26 -4.32 115.22 107.39 2kcd n HIS 117 Ca 0.55 0.00 0.04 0.00 0.46 0.00 0.00 57.72 58.77 2kcd n HIS 117 Cb 0.38 0.00 -0.02 0.00 -0.12 0.00 0.00 29.99 30.23 2kcd n HIS 117 CO 0.00 0.00 0.00 -1.58 0.46 0.00 0.00 176.34 175.22 2kcd s HIS 118 N 0.00 -1.10 -0.02 1.57 2.46 -1.26 -5.16 115.29 111.78 2kcd s HIS 118 Ca 0.00 1.24 -0.08 0.00 0.47 0.00 0.00 55.06 56.69 2kcd s HIS 118 Cb 0.00 0.41 0.01 0.00 -0.13 0.00 0.00 32.58 32.87 2kcd s HIS 118 CO 0.00 -0.59 0.18 -1.01 -2.47 0.00 0.00 174.74 170.85 2kcd s HIS 119 N 2.87 -0.06 0.00 3.88 3.76 -1.26 -5.34 115.29 119.14 2kcd s HIS 119 Ca 0.09 0.11 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 2kcd s HIS 119 Cb -0.12 0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.57 2kcd s HIS 119 CO -0.17 -0.26 0.00 1.58 -0.85 0.00 0.00 174.74 175.05