#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 2.95 0.19 2.03 2.01 -1.26 -4.93 115.64 116.63 2kcd s THR 2 Ca 0.00 0.81 -0.10 0.00 0.31 0.00 0.00 61.69 62.72 2kcd s THR 2 Cb 0.00 -3.52 0.12 0.00 0.01 0.00 0.00 72.50 69.11 2kcd s THR 2 CO 0.00 0.14 1.74 -0.07 -0.69 0.00 0.00 174.62 175.74 2kcd h LEU 3 N 4.92 0.99 -0.82 4.42 3.38 -2.06 -2.51 115.31 123.63 2kcd h LEU 3 Ca -0.46 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.25 2kcd h LEU 3 Cb 1.22 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.69 2kcd h LEU 3 CO 0.75 0.91 0.06 -0.08 0.09 0.00 0.00 178.44 180.17 2kcd h GLU 4 N 1.01 0.94 -0.59 1.13 4.81 -2.00 -2.01 114.58 117.88 2kcd h GLU 4 Ca 0.23 -0.25 -0.04 0.00 -0.13 0.00 0.00 59.36 59.17 2kcd h GLU 4 Cb 0.25 -0.11 -0.03 0.00 0.63 0.00 0.00 28.75 29.49 2kcd h GLU 4 CO -0.01 0.89 0.20 1.25 -0.73 0.00 0.00 179.01 180.61 2kcd h LEU 5 N 0.88 0.84 -0.93 1.64 6.46 -1.88 -1.81 115.31 120.50 2kcd h LEU 5 Ca 0.17 -0.19 -0.07 0.00 -0.12 0.00 0.00 57.88 57.67 2kcd h LEU 5 Cb 0.44 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.12 2kcd h LEU 5 CO 0.02 0.81 0.05 1.56 -0.62 0.00 0.00 178.44 180.26 2kcd h GLN 6 N 0.83 0.83 -0.50 1.25 4.20 -1.21 -1.56 115.11 118.96 2kcd h GLN 6 Ca 0.19 -0.21 -0.03 0.00 0.06 0.00 0.00 58.65 58.67 2kcd h GLN 6 Cb 0.26 -0.11 -0.02 0.00 0.30 0.00 0.00 27.48 27.91 2kcd h GLN 6 CO -0.01 0.80 0.21 1.25 -0.67 0.00 0.00 178.83 180.41 2kcd h LEU 7 N 0.78 0.67 -0.31 1.46 5.85 -0.89 0.43 115.31 123.30 2kcd h LEU 7 Ca 0.16 -0.16 -0.04 0.00 0.84 0.00 0.00 57.88 58.68 2kcd h LEU 7 Cb 0.40 -0.17 -0.01 0.00 0.37 0.00 0.00 40.66 41.24 2kcd h LEU 7 CO 0.01 0.64 0.04 0.50 -0.34 0.00 0.00 178.44 179.30 2kcd h LYS 8 N 0.66 0.53 -0.56 1.25 3.64 -1.03 -1.31 116.57 119.75 2kcd h LYS 8 Ca 0.17 -0.15 -0.11 0.00 -1.27 0.00 0.00 60.65 59.29 2kcd h LYS 8 Cb 0.17 -0.06 -0.02 0.00 -0.41 0.00 0.00 32.23 31.91 2kcd h LYS 8 CO -0.02 0.63 -0.07 0.45 -2.27 0.00 0.00 179.45 178.17 2kcd h HIS 9 N 0.35 1.13 -0.21 1.91 3.86 -1.09 -1.36 115.15 119.75 2kcd h HIS 9 Ca 0.09 -0.22 -0.01 0.00 -1.16 0.00 0.00 60.37 59.08 2kcd h HIS 9 Cb 0.37 -0.29 -0.01 0.00 1.06 0.00 0.00 27.41 28.54 2kcd h HIS 9 CO 0.03 1.03 0.10 -0.92 0.86 0.00 0.00 177.93 179.03 2kcd h TYR 10 N 0.92 0.30 -0.43 2.45 3.20 0.03 0.13 116.97 123.56 2kcd h TYR 10 Ca 0.15 -0.02 -0.04 0.00 3.14 0.00 0.00 58.73 61.96 2kcd h TYR 10 Cb 0.63 -0.09 -0.02 0.00 1.54 0.00 0.00 36.73 38.79 2kcd h TYR 10 CO 0.04 0.31 0.10 0.82 -1.64 0.00 0.00 178.16 177.79 2kcd h ILE 11 N 0.21 1.23 -0.52 1.81 2.04 -1.14 -0.25 117.51 120.89 2kcd h ILE 11 Ca 0.07 -0.82 -0.08 0.00 1.00 0.00 0.00 64.86 65.03 2kcd h ILE 11 Cb 0.12 0.94 -0.02 0.00 -0.74 0.00 0.00 36.82 37.12 2kcd h ILE 11 CO -0.01 0.29 0.02 0.71 0.00 0.00 0.00 178.15 179.16 2kcd h THR 12 N 0.57 1.26 -0.45 -0.27 1.35 -1.11 -2.53 112.91 111.74 2kcd h THR 12 Ca 0.14 -1.06 -0.08 0.00 -0.55 0.00 0.00 66.41 64.85 2kcd h THR 12 Cb 0.33 0.92 -0.02 0.00 -1.73 0.00 0.00 68.15 67.65 2kcd h THR 12 CO 0.00 0.38 -0.05 0.78 -0.25 0.00 0.00 175.52 176.38 2kcd h ASN 13 N 0.78 0.75 -0.28 5.36 2.35 -0.60 2.20 115.58 126.13 2kcd h ASN 13 Ca 0.15 -0.20 -0.00 0.00 -0.55 0.00 0.00 56.30 55.70 2kcd h ASN 13 Cb 0.50 -0.20 -0.01 0.00 0.05 0.00 0.00 38.32 38.66 2kcd h ASN 13 CO 0.02 0.85 0.15 0.25 -1.65 0.00 0.00 177.43 177.05 2kcd h LEU 14 N 0.71 0.34 -2.06 1.61 7.12 -0.71 -2.90 115.31 119.42 2kcd h LEU 14 Ca 0.13 -0.08 0.00 0.00 0.13 0.00 0.00 57.88 58.06 2kcd h LEU 14 Cb 0.51 -0.09 0.00 0.00 -0.53 0.00 0.00 40.66 40.55 2kcd h LEU 14 CO 0.03 0.32 0.00 0.49 -0.13 0.00 0.00 178.44 179.15 2kcd n PHE 15 N -4.84 0.22 -3.68 1.25 3.72 -0.98 -4.96 117.46 108.20 2kcd n PHE 15 Ca -0.02 -0.12 -0.25 0.00 -0.05 0.00 0.00 57.45 57.00 2kcd n PHE 15 Cb 0.07 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.67 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 1.25 -5.49 -4.86 4.37 2.85 0.71 -4.97 115.26 109.13 2kcd n ASN 16 Ca 0.15 -0.62 -0.34 0.00 -0.11 0.00 0.00 54.58 53.66 2kcd n ASN 16 Cb 0.54 -4.71 -0.06 0.00 1.24 0.00 0.00 39.78 36.80 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 2kcd s LEU 17 N -7.22 4.24 -0.07 1.20 1.43 0.67 -4.97 118.68 113.97 2kcd s LEU 17 Ca 0.55 1.05 -0.40 0.00 -1.03 0.00 0.00 54.13 54.29 2kcd s LEU 17 Cb -0.25 -3.55 -0.19 0.00 0.03 0.00 0.00 46.19 42.24 2kcd s LEU 17 CO 0.76 -0.01 1.27 -2.65 0.23 0.00 0.00 176.35 175.95 2kcd n PRO 18 N 0.28 0.41 0.03 1.29 -0.02 -1.26 -4.69 135.00 131.03 2kcd n PRO 18 Ca -0.02 0.15 0.12 0.00 -2.02 0.00 0.00 63.50 61.73 2kcd n PRO 18 Cb 0.52 -1.70 0.15 0.00 -0.02 0.00 0.00 33.50 32.45 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 2.43 0.17 -0.04 -0.52 1.74 -1.26 -3.67 116.66 115.51 2kcd n ARG 19 Ca 0.22 0.02 0.12 0.00 -0.77 0.00 0.00 57.85 57.44 2kcd n ARG 19 Cb 0.10 -1.58 0.49 0.00 -1.02 0.00 0.00 32.46 30.45 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.40 -1.52 0.00 0.00 177.63 175.71 2kcd n ASP 20 N -1.81 1.23 -4.53 0.55 5.75 -1.26 -4.75 116.55 111.73 2kcd n ASP 20 Ca 0.04 -1.54 -0.41 0.00 -0.01 0.00 0.00 54.79 52.87 2kcd n ASP 20 Cb 0.39 -0.05 -0.10 0.00 -1.03 0.00 0.00 41.12 40.33 2kcd n ASP 20 CO 0.00 0.00 0.00 -1.61 -0.11 0.00 0.00 177.20 175.48 2kcd s GLU 21 N -1.90 3.50 0.28 0.11 0.41 -1.24 -5.06 118.70 114.80 2kcd s GLU 21 Ca 0.35 -0.55 -0.24 0.00 -0.41 0.00 0.00 54.97 54.12 2kcd s GLU 21 Cb 0.18 -3.81 -0.09 0.00 -1.78 0.00 0.00 34.13 28.63 2kcd s GLU 21 CO 0.29 -0.50 0.85 0.21 -0.49 0.00 0.00 175.26 175.62 2kcd s LYS 22 N 1.87 4.46 0.54 1.61 2.20 -1.26 -5.04 119.74 124.12 2kcd s LYS 22 Ca 0.09 1.14 0.09 0.00 -0.36 0.00 0.00 55.97 56.93 2kcd s LYS 22 Cb -0.17 -2.85 0.06 0.00 -1.51 0.00 0.00 37.83 33.36 2kcd s LYS 22 CO 0.11 0.34 0.68 -1.58 -0.36 0.00 0.00 175.35 174.54 2kcd s TRP 23 N -1.56 1.69 -0.25 4.03 0.51 -1.26 -4.93 118.94 117.17 2kcd s TRP 23 Ca 0.47 -0.69 -0.06 0.00 -2.12 0.00 0.00 56.10 53.70 2kcd s TRP 23 Cb -0.18 -2.18 -0.01 0.00 -0.81 0.00 0.00 33.47 30.29 2kcd s TRP 23 CO 0.23 -0.90 0.03 -1.21 -0.51 0.00 0.00 176.95 174.58 2kcd s GLU 24 N -4.54 3.39 0.19 4.98 2.02 -1.09 -4.93 118.70 118.73 2kcd s GLU 24 Ca 0.56 -0.64 -0.30 0.00 0.02 0.00 0.00 54.97 54.61 2kcd s GLU 24 Cb -0.06 -3.22 -0.08 0.00 0.10 0.00 0.00 34.13 30.88 2kcd s GLU 24 CO 0.35 -0.26 0.94 0.00 0.02 0.00 0.00 175.26 176.31 2kcd s GLU 26 N -0.76 1.83 -0.31 0.00 2.12 -0.37 -5.00 118.70 116.22 2kcd s GLU 26 Ca 0.43 -0.44 -0.14 0.00 0.36 0.00 0.00 54.97 55.19 2kcd s GLU 26 Cb -0.25 -1.88 -0.03 0.00 0.26 0.00 0.00 34.13 32.23 2kcd s GLU 26 CO 0.31 -0.29 0.31 -1.12 -0.54 0.00 0.00 175.26 173.94 2kcd s SER 27 N 1.60 6.15 -0.00 -1.70 0.01 -1.26 -2.32 113.70 116.18 2kcd s SER 27 Ca 0.04 -0.04 -0.10 0.00 1.31 0.00 0.00 55.95 57.16 2kcd s SER 27 Cb -0.13 -2.18 0.01 0.00 0.21 0.00 0.00 66.02 63.93 2kcd s SER 27 CO -0.09 -0.21 0.20 -0.51 0.41 0.00 0.00 173.24 173.03 2kcd s ILE 28 N 1.95 0.07 -0.14 1.44 2.07 -1.22 -5.06 121.20 120.31 2kcd s ILE 28 Ca 0.11 -0.61 -0.20 0.00 -1.41 0.00 0.00 60.65 58.54 2kcd s ILE 28 Cb -0.16 -0.49 -0.03 0.00 0.13 0.00 0.00 42.46 41.90 2kcd s ILE 28 CO 0.11 -0.33 0.56 -1.61 -1.91 0.00 0.00 174.94 171.75 2kcd s GLU 29 N -1.35 4.30 0.05 3.50 2.02 -1.26 -2.47 118.70 123.48 2kcd s GLU 29 Ca -0.14 0.56 0.00 0.00 0.02 0.00 0.00 54.97 55.41 2kcd s GLU 29 Cb -0.07 -3.50 -0.03 0.00 0.10 0.00 0.00 34.13 30.63 2kcd s GLU 29 CO 0.02 -0.01 -0.04 -1.21 0.02 0.00 0.00 175.26 174.04 2kcd s GLU 30 N 1.16 0.53 0.01 1.61 0.41 -1.06 -4.97 118.70 116.39 2kcd s GLU 30 Ca 0.28 -0.98 -0.24 0.00 -0.41 0.00 0.00 54.97 53.62 2kcd s GLU 30 Cb -0.16 0.07 -0.05 0.00 -1.78 0.00 0.00 34.13 32.21 2kcd s GLU 30 CO 0.12 -0.06 0.73 0.08 -0.49 0.00 0.00 175.26 175.63 2kcd s VAL 31 N -2.79 4.83 0.24 2.63 1.01 -1.26 -1.17 120.40 123.88 2kcd s VAL 31 Ca -0.02 1.53 -0.05 0.00 0.00 0.00 0.00 61.98 63.44 2kcd s VAL 31 Cb -0.00 -4.07 0.21 0.00 0.00 0.00 0.00 36.38 32.52 2kcd s VAL 31 CO -0.05 0.35 1.83 0.00 0.00 0.00 0.00 175.10 177.23 2kcd h ALA 32 N 5.88 1.18 -0.63 5.51 0.00 -1.72 -1.66 119.26 127.82 2kcd h ALA 32 Ca -0.44 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.41 2kcd h ALA 32 Cb 1.20 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.79 2kcd h ALA 32 CO 0.72 0.17 0.09 0.22 0.00 0.00 0.00 179.25 180.45 2kcd h ASP 33 N 0.87 0.98 -0.73 0.00 1.82 -1.71 0.69 116.42 118.35 2kcd h ASP 33 Ca 0.39 -0.23 -0.04 0.00 -0.39 0.00 0.00 57.03 56.76 2kcd h ASP 33 Cb 0.28 -0.26 -0.03 0.00 0.68 0.00 0.00 39.33 40.00 2kcd h ASP 33 CO -0.21 0.98 0.29 0.44 -1.61 0.00 0.00 179.24 179.13 2kcd h ASP 34 N 0.97 1.00 0.00 2.28 3.32 -1.65 -3.37 116.42 118.96 2kcd h ASP 34 Ca 0.19 -0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.07 2kcd h ASP 34 Cb 0.43 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.72 2kcd h ASP 34 CO 0.01 0.90 0.00 -0.38 -1.72 0.00 0.00 179.24 178.05 2kcd n ILE 35 N -4.35 0.00 -1.69 0.35 5.41 -0.80 -4.93 119.36 113.35 2kcd n ILE 35 Ca 0.06 0.31 -0.38 0.00 1.00 0.00 0.00 62.75 63.74 2kcd n ILE 35 Cb 0.18 -1.12 0.05 0.00 -0.71 0.00 0.00 39.64 38.04 2kcd n ILE 35 CO 0.00 0.00 0.00 0.18 0.00 0.00 0.00 176.55 176.73 2kcd n LEU 36 N -1.76 4.82 -4.75 1.39 4.77 0.24 -4.95 117.00 116.76 2kcd n LEU 36 Ca 0.00 0.92 -0.32 0.00 -0.03 0.00 0.00 56.01 56.57 2kcd n LEU 36 Cb 0.00 -1.50 0.08 0.00 -2.33 0.00 0.00 43.42 39.67 2kcd n LEU 36 CO 0.00 -1.06 0.73 -2.16 -1.33 0.00 0.00 177.39 173.57 2kcd s PRO 37 N -2.83 2.29 0.44 3.23 0.04 -1.26 -4.40 135.00 132.51 2kcd s PRO 37 Ca 0.73 1.42 0.30 0.00 0.04 0.00 0.00 61.00 63.50 2kcd s PRO 37 Cb -0.43 -1.88 1.42 0.00 0.04 0.00 0.00 34.50 33.65 2kcd s PRO 37 CO 0.48 -1.65 1.91 -0.44 0.04 0.00 0.00 177.00 177.35 2kcd h ASP 38 N -0.60 0.00 -0.91 6.66 3.32 -1.86 -2.53 116.42 120.50 2kcd h ASP 38 Ca -0.46 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 56.58 2kcd h ASP 38 Cb 1.25 0.00 -0.04 0.00 0.22 0.00 0.00 39.33 40.76 2kcd h ASP 38 CO 0.51 0.00 0.53 -0.61 -1.72 0.00 0.00 179.24 177.95 2kcd h GLN 39 N 0.00 1.26 -0.01 3.56 4.15 -1.98 0.69 115.11 122.78 2kcd h GLN 39 Ca 0.00 -0.13 0.00 0.00 0.77 0.00 0.00 58.65 59.29 2kcd h GLN 39 Cb 0.27 -0.26 0.00 0.00 0.21 0.00 0.00 27.48 27.71 2kcd h GLN 39 CO 0.00 0.89 -0.64 0.98 -1.93 0.00 0.00 178.83 178.14 2kcd n TYR 40 N -4.36 0.00 -2.43 3.99 9.36 -0.99 -4.20 117.16 118.53 2kcd n TYR 40 Ca 0.10 0.00 -0.13 0.00 3.32 0.00 0.00 57.90 61.19 2kcd n TYR 40 Cb 0.07 -0.07 0.03 0.00 -0.63 0.00 0.00 39.34 38.74 2kcd n TYR 40 CO 0.00 0.00 0.00 0.28 0.22 0.00 0.00 176.86 177.36 2kcd n VAL 41 N -0.98 1.90 -0.16 2.97 0.31 -0.85 -4.67 118.33 116.86 2kcd n VAL 41 Ca 0.07 -3.61 -0.09 0.00 -0.01 0.00 0.00 64.34 60.70 2kcd n VAL 41 Cb 0.37 0.04 -0.00 0.00 -0.91 0.00 0.00 33.84 33.34 2kcd n VAL 41 CO 0.00 0.00 0.00 -0.09 -1.32 0.00 0.00 176.83 175.42 2kcd h ARG 42 N 2.41 0.70 0.00 5.55 2.43 0.21 -3.39 114.38 122.29 2kcd h ARG 42 Ca 0.12 -0.16 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 2kcd h ARG 42 Cb 1.39 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.84 2kcd h ARG 42 CO 0.49 0.69 0.00 1.47 -1.51 0.00 0.00 179.97 181.11 2kcd n LEU 43 N -4.54 0.00 -4.48 3.80 -0.00 -1.26 -5.08 117.00 105.44 2kcd n LEU 43 Ca 0.01 -0.22 -0.30 0.00 -0.00 0.00 0.00 56.01 55.50 2kcd n LEU 43 Cb 0.20 0.00 0.22 0.00 -0.00 0.00 0.00 43.42 43.83 2kcd n LEU 43 CO 0.39 0.26 0.35 0.61 -0.00 0.00 0.00 177.39 178.99 2kcd n GLY 44 N 0.00 -1.74 0.27 1.47 0.00 -1.26 -4.85 105.19 99.08 2kcd n GLY 44 Ca 0.00 -1.00 0.18 0.00 0.00 0.00 0.00 46.02 45.21 2kcd n GLY 44 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kcd h PRO 45 N -2.37 0.00 -0.25 1.61 0.13 -1.97 -2.05 132.00 127.10 2kcd h PRO 45 Ca -0.55 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.58 2kcd h PRO 45 Cb 1.32 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.45 2kcd h PRO 45 CO 0.45 0.00 0.00 1.28 -0.23 0.00 0.00 178.00 179.50 2kcd n LEU 46 N -2.92 0.25 0.00 1.56 4.77 -1.26 -4.53 117.00 114.86 2kcd n LEU 46 Ca -0.01 -0.12 0.00 0.00 -0.03 0.00 0.00 56.01 55.85 2kcd n LEU 46 Cb 0.19 -0.12 0.00 0.00 -2.33 0.00 0.00 43.42 41.16 2kcd n LEU 46 CO 0.22 0.06 0.00 -1.54 -1.33 0.00 0.00 177.39 174.81 2kcd n SER 47 N -0.35 0.00 -2.85 -1.43 3.41 -0.77 -3.32 113.62 108.31 2kcd n SER 47 Ca 0.00 0.00 -0.39 0.00 -0.26 0.00 0.00 58.87 58.22 2kcd n SER 47 Cb 0.06 0.00 0.04 0.00 -0.26 0.00 0.00 64.21 64.05 2kcd n SER 47 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 2kcd n ASN 48 N 0.00 7.39 -4.87 4.04 5.03 -1.26 -3.71 115.26 121.89 2kcd n ASN 48 Ca 0.00 -3.83 -0.37 0.00 0.87 0.00 0.00 54.58 51.25 2kcd n ASN 48 Cb 0.00 -1.03 -0.06 0.00 -1.02 0.00 0.00 39.78 37.67 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 2kcd s LYS 49 N -4.03 3.61 -0.52 3.52 -0.14 -1.21 -5.01 119.74 115.96 2kcd s LYS 49 Ca 0.53 0.05 -0.20 0.00 -1.36 0.00 0.00 55.97 54.99 2kcd s LYS 49 Cb 0.44 -3.19 0.06 0.00 -1.68 0.00 0.00 37.83 33.46 2kcd s LYS 49 CO -0.37 0.74 0.69 0.42 -0.76 0.00 0.00 175.35 176.07 2kcd s ILE 50 N -1.07 4.78 -0.12 2.17 1.09 -1.26 -2.66 121.20 124.13 2kcd s ILE 50 Ca 0.19 -0.38 -0.05 0.00 -1.10 0.00 0.00 60.65 59.32 2kcd s ILE 50 Cb -0.14 -4.35 -0.04 0.00 -1.06 0.00 0.00 42.46 36.87 2kcd s ILE 50 CO 0.08 -0.88 0.06 -0.76 -0.10 0.00 0.00 174.94 173.34 2kcd s LEU 51 N 2.88 3.87 -0.30 2.97 1.02 -0.32 -4.89 118.68 123.91 2kcd s LEU 51 Ca 0.18 0.23 -0.29 0.00 0.02 0.00 0.00 54.13 54.27 2kcd s LEU 51 Cb -0.18 -1.92 -0.00 0.00 0.02 0.00 0.00 46.19 44.10 2kcd s LEU 51 CO 0.13 0.34 1.40 -1.10 0.02 0.00 0.00 176.35 177.14 2kcd s GLN 52 N -0.66 3.82 -0.21 1.70 -0.21 -0.93 -2.57 119.66 120.60 2kcd s GLN 52 Ca 0.11 1.29 -0.06 0.00 0.02 0.00 0.00 55.36 56.72 2kcd s GLN 52 Cb -0.12 -3.95 -0.03 0.00 1.00 0.00 0.00 33.01 29.92 2kcd s GLN 52 CO 0.02 -1.25 0.03 -0.08 -2.12 0.00 0.00 175.29 171.89 2kcd s THR 53 N 4.79 4.19 -0.55 -0.19 -1.32 -1.03 -2.14 115.64 119.40 2kcd s THR 53 Ca 0.61 -0.23 -0.15 0.00 -1.21 0.00 0.00 61.69 60.71 2kcd s THR 53 Cb -0.18 -2.91 0.13 0.00 -1.51 0.00 0.00 72.50 68.04 2kcd s THR 53 CO 0.26 0.41 0.50 0.21 -2.21 0.00 0.00 174.62 173.80 2kcd s ASN 54 N 1.01 6.17 -0.07 8.08 3.84 -0.39 -3.38 114.94 130.20 2kcd s ASN 54 Ca 0.03 -1.85 -0.18 0.00 0.21 0.00 0.00 52.86 51.06 2kcd s ASN 54 Cb -0.14 -2.19 -0.05 0.00 -0.55 0.00 0.00 41.25 38.32 2kcd s ASN 54 CO 0.02 -0.83 0.49 -0.89 -2.79 0.00 0.00 177.10 173.11 2kcd s THR 55 N 1.50 5.09 -0.10 -5.21 2.01 -0.98 -2.34 115.64 115.61 2kcd s THR 55 Ca 0.04 1.00 -0.01 0.00 0.31 0.00 0.00 61.69 63.04 2kcd s THR 55 Cb -0.29 -3.83 -0.03 0.00 0.01 0.00 0.00 72.50 68.37 2kcd s THR 55 CO 0.02 0.39 -0.06 -0.31 -0.69 0.00 0.00 174.62 173.97 2kcd s TYR 56 N 0.14 2.98 -0.04 4.92 1.51 -0.93 -1.23 117.35 124.69 2kcd s TYR 56 Ca 0.27 -0.09 -0.00 0.00 -1.01 0.00 0.00 57.07 56.24 2kcd s TYR 56 Cb -0.16 -1.80 0.03 0.00 -0.11 0.00 0.00 41.96 39.92 2kcd s TYR 56 CO 0.12 0.21 -0.00 1.52 -1.11 0.00 0.00 175.55 176.29 2kcd s TYR 57 N -0.42 0.46 0.35 2.71 1.13 -1.00 -4.31 117.35 116.28 2kcd s TYR 57 Ca 0.06 -0.06 0.07 0.00 -1.41 0.00 0.00 57.07 55.74 2kcd s TYR 57 Cb -0.12 -0.55 -0.03 0.00 -1.10 0.00 0.00 41.96 40.16 2kcd s TYR 57 CO 0.02 -0.19 0.27 -1.54 -2.51 0.00 0.00 175.55 171.60 2kcd s SER 58 N 1.29 1.92 0.16 -0.18 1.04 -1.26 -2.67 113.70 114.00 2kcd s SER 58 Ca -0.06 -1.78 -0.13 0.00 0.48 0.00 0.00 55.95 54.46 2kcd s SER 58 Cb -0.13 0.57 0.05 0.00 0.10 0.00 0.00 66.02 66.61 2kcd s SER 58 CO -0.02 -1.06 1.72 0.44 0.98 0.00 0.00 173.24 175.30 2kcd h ASP 59 N 2.06 0.71 -0.11 7.02 3.32 -1.98 0.20 116.42 127.63 2kcd h ASP 59 Ca -0.26 -0.15 -0.02 0.00 0.02 0.00 0.00 57.03 56.63 2kcd h ASP 59 Cb 1.24 -0.18 -0.00 0.00 0.22 0.00 0.00 39.33 40.60 2kcd h ASP 59 CO 0.38 0.66 0.00 0.71 -1.72 0.00 0.00 179.24 179.28 2kcd h THR 60 N 0.70 1.24 -0.61 0.35 1.35 -1.98 -0.16 112.91 113.81 2kcd h THR 60 Ca 0.18 -0.77 -0.02 0.00 -0.55 0.00 0.00 66.41 65.24 2kcd h THR 60 Cb 0.16 1.55 -0.03 0.00 -1.73 0.00 0.00 68.15 68.10 2kcd h THR 60 CO -0.02 0.22 0.29 -0.07 -0.25 0.00 0.00 175.52 175.69 2kcd h LEU 61 N -0.08 0.80 -0.47 3.87 4.07 -1.84 -0.53 115.31 121.14 2kcd h LEU 61 Ca 0.03 -0.13 -0.10 0.00 0.08 0.00 0.00 57.88 57.76 2kcd h LEU 61 Cb 0.34 -0.21 -0.01 0.00 1.08 0.00 0.00 40.66 41.86 2kcd h LEU 61 CO 0.00 0.71 -0.10 -0.74 -1.08 0.00 0.00 178.44 177.23 2kcd h HIS 62 N 0.84 1.01 -0.51 1.13 2.76 -0.54 0.14 115.15 119.98 2kcd h HIS 62 Ca 0.21 -0.21 -0.06 0.00 -2.20 0.00 0.00 60.37 58.11 2kcd h HIS 62 Cb 0.12 -0.25 -0.02 0.00 1.55 0.00 0.00 27.41 28.81 2kcd h HIS 62 CO 0.00 0.98 0.09 -0.22 -1.30 0.00 0.00 177.93 177.48 2kcd h LYS 63 N 0.75 0.85 -0.00 5.26 3.64 -0.77 -2.09 116.57 124.21 2kcd h LYS 63 Ca 0.12 -0.23 0.00 0.00 -1.27 0.00 0.00 60.65 59.28 2kcd h LYS 63 Cb 0.65 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.37 2kcd h LYS 63 CO 0.04 0.83 -0.00 0.43 -2.27 0.00 0.00 179.45 178.49 2kcd n SER 64 N -4.40 0.01 -3.49 4.20 7.64 -0.23 -4.90 113.62 112.46 2kcd n SER 64 Ca 0.01 -0.32 -0.22 0.00 1.01 0.00 0.00 58.87 59.36 2kcd n SER 64 Cb 0.26 -0.22 0.08 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 -1.22 -5.12 -4.42 6.43 5.15 -0.14 -4.48 115.26 111.47 2kcd n ASN 65 Ca 0.16 -0.55 -0.33 0.00 -0.60 0.00 0.00 54.58 53.26 2kcd n ASN 65 Cb 0.22 -4.96 -0.14 0.00 -0.53 0.00 0.00 39.78 34.37 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 -3.32 3.31 -0.56 -1.44 1.01 0.31 -3.93 121.20 116.57 2kcd s ILE 66 Ca 0.42 -0.57 0.02 0.00 0.00 0.00 0.00 60.65 60.51 2kcd s ILE 66 Cb -0.18 -2.40 0.14 0.00 0.01 0.00 0.00 42.46 40.03 2kcd s ILE 66 CO 0.71 0.52 0.33 -0.31 0.00 0.00 0.00 174.94 176.19 2kcd s TYR 67 N 0.27 3.26 0.23 3.97 2.02 -0.85 -4.53 117.35 121.73 2kcd s TYR 67 Ca -0.08 -3.05 -0.22 0.00 -0.37 0.00 0.00 57.07 53.36 2kcd s TYR 67 Cb -0.15 -2.93 -0.09 0.00 -0.40 0.00 0.00 41.96 38.39 2kcd s TYR 67 CO 0.05 -0.76 0.78 -1.25 -1.57 0.00 0.00 175.55 172.79 2kcd s PRO 68 N -0.29 4.37 0.08 -1.71 0.04 -1.26 -2.35 135.00 133.89 2kcd s PRO 68 Ca 0.17 1.01 -0.19 0.00 0.04 0.00 0.00 61.00 62.04 2kcd s PRO 68 Cb -0.23 -2.93 0.04 0.00 0.04 0.00 0.00 34.50 31.42 2kcd s PRO 68 CO -0.02 0.40 0.46 -0.59 0.04 0.00 0.00 177.00 177.29 2kcd s PHE 69 N -1.48 -0.32 -0.08 0.56 -0.12 -0.88 -2.19 117.98 113.48 2kcd s PHE 69 Ca 0.43 0.21 0.04 0.00 -0.05 0.00 0.00 56.93 57.56 2kcd s PHE 69 Cb -0.18 0.30 0.00 0.00 -0.63 0.00 0.00 43.02 42.50 2kcd s PHE 69 CO 0.22 -0.65 -0.21 0.42 -0.05 0.00 0.00 175.22 174.95 2kcd s ILE 70 N -2.97 1.79 -0.18 -4.49 1.01 -0.99 -2.95 121.20 112.43 2kcd s ILE 70 Ca -0.02 -0.88 -0.08 0.00 0.00 0.00 0.00 60.65 59.67 2kcd s ILE 70 Cb 0.00 -1.55 -0.04 0.00 0.01 0.00 0.00 42.46 40.88 2kcd s ILE 70 CO -0.06 0.50 0.08 -0.76 0.00 0.00 0.00 174.94 174.70 2kcd s LEU 71 N 0.29 3.92 0.03 2.97 1.43 -0.29 -1.26 118.68 125.77 2kcd s LEU 71 Ca -0.14 0.14 -0.10 0.00 -1.03 0.00 0.00 54.13 52.99 2kcd s LEU 71 Cb -0.16 -1.99 0.01 0.00 0.03 0.00 0.00 46.19 44.08 2kcd s LEU 71 CO 0.06 0.20 0.22 -0.72 0.23 0.00 0.00 176.35 176.34 2kcd s TYR 72 N 0.24 0.01 -0.07 0.29 1.13 -0.91 -1.02 117.35 117.02 2kcd s TYR 72 Ca 0.05 -0.18 -0.00 0.00 -1.41 0.00 0.00 57.07 55.53 2kcd s TYR 72 Cb -0.12 0.00 0.03 0.00 -1.10 0.00 0.00 41.96 40.77 2kcd s TYR 72 CO -0.00 -0.43 -0.02 -0.47 -2.51 0.00 0.00 175.55 172.11 2kcd s TYR 73 N -2.40 0.81 -1.23 -3.49 5.04 0.68 -2.18 117.35 114.58 2kcd s TYR 73 Ca -0.06 -0.26 -0.02 0.00 -2.44 0.00 0.00 57.07 54.29 2kcd s TYR 73 Cb -0.02 -0.81 -0.01 0.00 0.35 0.00 0.00 41.96 41.47 2kcd s TYR 73 CO -0.03 -0.31 0.83 1.04 -1.34 0.00 0.00 175.55 175.74 2kcd n GLN 74 N 4.75 -4.94 -3.62 4.97 1.13 -1.26 -2.30 117.38 116.11 2kcd n GLN 74 Ca -0.14 0.72 -0.22 0.00 -1.94 0.00 0.00 57.00 55.42 2kcd n GLN 74 Cb 0.50 -5.42 0.06 0.00 0.11 0.00 0.00 30.24 25.50 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 -4.10 -6.34 -3.70 -1.09 4.76 -1.26 -4.99 118.16 101.45 2kcd n LYS 75 Ca -0.26 0.75 -0.12 0.00 -2.87 0.00 0.00 58.31 55.81 2kcd n LYS 75 Cb 0.66 -5.63 -0.12 0.00 -1.84 0.00 0.00 35.03 28.10 2kcd n LYS 75 CO 0.00 0.00 0.00 -1.14 -1.37 0.00 0.00 177.40 174.89 2kcd s GLN 76 N -5.95 0.26 0.12 1.97 0.74 -0.97 -5.13 119.66 110.71 2kcd s GLN 76 Ca 0.25 0.71 -0.31 0.00 0.05 0.00 0.00 55.36 56.05 2kcd s GLN 76 Cb -0.11 -0.02 -0.09 0.00 1.10 0.00 0.00 33.01 33.88 2kcd s GLN 76 CO 0.77 -0.20 1.60 -1.17 -0.55 0.00 0.00 175.29 175.74 2kcd s LEU 77 N 1.69 4.37 -0.17 3.68 2.96 -1.26 -0.23 118.68 129.72 2kcd s LEU 77 Ca -0.06 2.55 -0.05 0.00 -0.22 0.00 0.00 54.13 56.35 2kcd s LEU 77 Cb -0.10 -3.58 -0.09 0.00 0.50 0.00 0.00 46.19 42.92 2kcd s LEU 77 CO -0.10 -0.84 -0.19 -0.38 -1.32 0.00 0.00 176.35 173.51 2kcd n ILE 78 N 4.27 0.94 -3.46 6.68 2.08 -0.19 -4.87 119.36 124.81 2kcd n ILE 78 Ca 0.15 -0.28 -0.11 0.00 0.56 0.00 0.00 62.75 63.07 2kcd n ILE 78 Cb 0.39 -1.49 -0.02 0.00 -0.75 0.00 0.00 39.64 37.77 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 -2.32 -1.70 0.03 -1.39 0.00 -1.06 -0.21 121.76 115.11 2kcd s ALA 79 Ca -0.23 0.72 0.03 0.00 0.00 0.00 0.00 51.96 52.48 2kcd s ALA 79 Cb 0.08 0.67 -0.02 0.00 0.00 0.00 0.00 23.12 23.85 2kcd s ALA 79 CO 0.33 -0.73 -0.09 0.42 0.00 0.00 0.00 175.76 175.69 2kcd s ILE 80 N -3.44 0.63 -0.12 0.00 1.01 0.24 -1.14 121.20 118.40 2kcd s ILE 80 Ca 0.02 -0.87 -0.33 0.00 0.00 0.00 0.00 60.65 59.47 2kcd s ILE 80 Cb -0.01 -0.63 0.14 0.00 0.01 0.00 0.00 42.46 41.96 2kcd s ILE 80 CO -0.11 -0.19 1.31 -0.83 0.00 0.00 0.00 174.94 175.13 2kcd s GLY 81 N -1.16 -0.37 0.05 6.18 0.00 -1.15 -3.10 107.32 107.77 2kcd s GLY 81 Ca -0.05 1.15 -0.09 0.00 0.00 0.00 0.00 44.72 45.73 2kcd s GLY 81 CO 0.00 0.31 0.19 -0.11 0.00 0.00 0.00 173.10 173.49 2kcd s PHE 82 N -2.28 0.08 -0.21 1.90 -0.71 -0.98 -2.07 117.98 113.70 2kcd s PHE 82 Ca 0.13 -0.33 -0.06 0.00 -1.04 0.00 0.00 56.93 55.63 2kcd s PHE 82 Cb 0.03 -0.04 -0.03 0.00 -1.21 0.00 0.00 43.02 41.78 2kcd s PHE 82 CO -0.04 -0.44 0.03 0.42 -1.34 0.00 0.00 175.22 173.84 2kcd s ILE 83 N -2.76 4.12 0.54 -4.49 1.01 -0.99 -2.30 121.20 116.33 2kcd s ILE 83 Ca -0.04 -0.25 -0.02 0.00 0.00 0.00 0.00 60.65 60.35 2kcd s ILE 83 Cb -0.00 -2.88 0.11 0.00 0.01 0.00 0.00 42.46 39.70 2kcd s ILE 83 CO -0.05 0.40 0.74 -0.90 0.00 0.00 0.00 174.94 175.13 2kcd n ASP 84 N 4.39 0.82 0.10 3.58 5.68 -1.20 -2.01 116.55 127.91 2kcd n ASP 84 Ca -0.17 -1.73 0.03 0.00 -0.50 0.00 0.00 54.79 52.41 2kcd n ASP 84 Cb 0.52 -0.49 0.40 0.00 -1.14 0.00 0.00 41.12 40.40 2kcd n ASP 84 CO 0.00 0.00 0.00 -0.08 -1.33 0.00 0.00 177.20 175.79 2kcd h GLU 85 N 0.00 0.30 -0.18 0.11 4.22 -1.79 -1.01 114.58 116.23 2kcd h GLU 85 Ca -0.24 -0.06 0.00 0.00 0.08 0.00 0.00 59.36 59.14 2kcd h GLU 85 Cb 0.86 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.06 2kcd h GLU 85 CO 0.24 0.38 0.00 -1.71 -2.18 0.00 0.00 179.01 175.74 2kcd n ASN 86 N -4.32 0.18 0.00 1.04 5.15 -1.26 -4.79 115.26 111.27 2kcd n ASN 86 Ca -0.00 -1.71 0.00 0.00 -0.60 0.00 0.00 54.58 52.27 2kcd n ASN 86 Cb 0.23 -0.09 0.00 0.00 -0.53 0.00 0.00 39.78 39.39 2kcd n ASN 86 CO 0.00 0.00 0.00 1.57 1.40 0.00 0.00 177.26 180.23 2kcd n HIS 87 N -0.38 0.00 -2.13 1.20 -0.00 -0.38 -4.90 115.22 108.63 2kcd n HIS 87 Ca 0.00 0.00 -0.41 0.00 -0.00 0.00 0.00 57.72 57.31 2kcd n HIS 87 Cb 0.05 -1.52 -0.02 0.00 -0.00 0.00 0.00 29.99 28.49 2kcd n HIS 87 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.34 176.68 2kcd s ASP 88 N -1.95 6.80 -0.23 0.26 -1.08 -1.26 -4.77 116.67 114.44 2kcd s ASP 88 Ca 0.00 2.58 -0.22 0.00 -0.52 0.00 0.00 52.55 54.39 2kcd s ASP 88 Cb 0.00 -2.63 -0.02 0.00 -1.46 0.00 0.00 42.92 38.81 2kcd s ASP 88 CO 0.00 -0.56 0.70 -0.04 0.52 0.00 0.00 175.17 175.79 2kcd s MET 89 N -0.90 4.18 -0.30 4.34 -1.94 -1.26 -3.22 119.30 120.20 2kcd s MET 89 Ca 0.54 0.71 -0.09 0.00 -1.71 0.00 0.00 55.69 55.14 2kcd s MET 89 Cb -0.39 -3.62 -0.00 0.00 2.01 0.00 0.00 34.83 32.82 2kcd s MET 89 CO 0.45 -0.38 0.12 -0.51 -0.01 0.00 0.00 175.02 174.69 2kcd s ASP 90 N 1.33 5.38 -0.25 3.03 1.01 -0.97 -5.00 116.67 121.20 2kcd s ASP 90 Ca 0.30 -0.54 -0.08 0.00 0.71 0.00 0.00 52.55 52.94 2kcd s ASP 90 Cb -0.16 -1.96 -0.04 0.00 1.01 0.00 0.00 42.92 41.78 2kcd s ASP 90 CO 0.09 -0.18 0.10 -0.36 0.21 0.00 0.00 175.17 175.04 2kcd s PHE 91 N 1.58 3.14 -0.08 4.23 0.08 -1.26 -2.31 117.98 123.35 2kcd s PHE 91 Ca 0.04 -0.23 0.17 0.00 0.12 0.00 0.00 56.93 57.04 2kcd s PHE 91 Cb -0.17 -2.26 -0.26 0.00 -0.57 0.00 0.00 43.02 39.76 2kcd s PHE 91 CO 0.05 -0.26 0.27 1.28 -0.10 0.00 0.00 175.22 176.46 2kcd n LEU 92 N 4.84 0.00 -3.45 -0.37 4.77 -1.18 -4.92 117.00 116.69 2kcd n LEU 92 Ca -0.16 0.00 -0.06 0.00 -0.03 0.00 0.00 56.01 55.76 2kcd n LEU 92 Cb 0.52 0.17 -0.07 0.00 -2.33 0.00 0.00 43.42 41.70 2kcd n LEU 92 CO 0.32 0.17 0.04 -0.47 -1.33 0.00 0.00 177.39 176.11 2kcd s TYR 93 N -2.94 -0.99 -0.18 -1.77 5.04 -1.25 -4.34 117.35 110.93 2kcd s TYR 93 Ca -0.07 1.36 -0.01 0.00 -2.44 0.00 0.00 57.07 55.90 2kcd s TYR 93 Cb 0.09 0.28 -0.01 0.00 0.35 0.00 0.00 41.96 42.68 2kcd s TYR 93 CO 0.74 -0.66 -0.11 -1.17 -1.34 0.00 0.00 175.55 173.01 2kcd s LEU 94 N 2.65 2.68 -0.25 6.97 2.96 -1.06 -0.59 118.68 132.04 2kcd s LEU 94 Ca 0.07 -0.41 -0.03 0.00 -0.22 0.00 0.00 54.13 53.54 2kcd s LEU 94 Cb -0.14 -1.64 0.11 0.00 0.50 0.00 0.00 46.19 45.02 2kcd s LEU 94 CO -0.16 0.06 0.23 -2.28 -1.32 0.00 0.00 176.35 172.88 2kcd s HIS 95 N 0.98 -0.22 0.87 5.38 5.65 0.70 -4.09 115.29 124.56 2kcd s HIS 95 Ca -0.01 -0.16 -0.12 0.00 0.25 0.00 0.00 55.06 55.02 2kcd s HIS 95 Cb -0.15 -0.52 0.11 0.00 -1.18 0.00 0.00 32.58 30.85 2kcd s HIS 95 CO -0.01 -0.76 1.10 1.21 -0.65 0.00 0.00 174.74 175.62 2kcd s ASN 96 N 2.29 3.79 0.17 9.88 2.47 -1.25 -4.34 114.94 127.95 2kcd s ASN 96 Ca 0.08 1.37 -0.14 0.00 0.42 0.00 0.00 52.86 54.59 2kcd s ASN 96 Cb -0.15 -2.06 0.06 0.00 -1.45 0.00 0.00 41.25 37.65 2kcd s ASN 96 CO -0.25 -2.42 1.78 0.74 -3.72 0.00 0.00 177.10 173.23 2kcd h THR 97 N -1.40 1.18 0.00 -5.21 2.02 -1.97 -3.35 112.91 104.18 2kcd h THR 97 Ca -0.49 -0.45 0.00 0.00 0.77 0.00 0.00 66.41 66.24 2kcd h THR 97 Cb 1.28 0.49 0.00 0.00 -1.74 0.00 0.00 68.15 68.18 2kcd h THR 97 CO 0.57 0.19 0.00 0.52 0.37 0.00 0.00 175.52 177.17 2kcd n VAL 98 N -4.63 0.00 -4.08 3.16 0.31 -1.26 -4.98 118.33 106.85 2kcd n VAL 98 Ca 0.03 0.39 -0.14 0.00 -0.01 0.00 0.00 64.34 64.61 2kcd n VAL 98 Cb 0.08 -0.95 -0.13 0.00 -0.91 0.00 0.00 33.84 31.93 2kcd n VAL 98 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2kcd s MET 99 N -0.70 0.43 0.41 5.55 0.23 -1.26 -5.14 119.30 118.81 2kcd s MET 99 Ca 0.00 -0.44 -0.25 0.00 -1.03 0.00 0.00 55.69 53.97 2kcd s MET 99 Cb 0.00 -0.29 -0.08 0.00 -1.53 0.00 0.00 34.83 32.92 2kcd s MET 99 CO 0.00 0.07 1.17 -1.25 -2.03 0.00 0.00 175.02 172.97 2kcd s PRO 100 N -0.82 4.01 -0.22 3.16 0.04 -1.26 -3.82 135.00 136.09 2kcd s PRO 100 Ca -0.04 1.82 -0.14 0.00 0.04 0.00 0.00 61.00 62.67 2kcd s PRO 100 Cb -0.06 -2.62 -0.09 0.00 0.04 0.00 0.00 34.50 31.77 2kcd s PRO 100 CO 0.00 -0.35 -0.33 1.28 0.04 0.00 0.00 177.00 177.64 2kcd n LEU 101 N -0.03 1.82 -4.19 -3.56 4.77 -1.26 -4.91 117.00 109.65 2kcd n LEU 101 Ca 0.05 0.31 -0.32 0.00 -0.03 0.00 0.00 56.01 56.02 2kcd n LEU 101 Cb 0.47 -0.73 -0.17 0.00 -2.33 0.00 0.00 43.42 40.66 2kcd n LEU 101 CO 0.50 0.22 -0.55 -0.76 -1.33 0.00 0.00 177.39 175.47 2kcd s LEU 102 N -7.55 2.11 -0.34 2.23 1.43 -1.26 -5.07 118.68 110.24 2kcd s LEU 102 Ca -0.32 -0.59 0.04 0.00 -1.03 0.00 0.00 54.13 52.23 2kcd s LEU 102 Cb 0.10 -1.44 0.17 0.00 0.03 0.00 0.00 46.19 45.05 2kcd s LEU 102 CO 0.43 0.11 0.46 1.51 0.23 0.00 0.00 176.35 179.08 2kcd s ASP 103 N 0.65 0.06 -0.22 2.29 -4.77 -1.26 -2.56 116.67 110.86 2kcd s ASP 103 Ca -0.11 -0.76 0.01 0.00 -3.30 0.00 0.00 52.55 48.39 2kcd s ASP 103 Cb -0.16 1.20 0.03 0.00 -1.09 0.00 0.00 42.92 42.90 2kcd s ASP 103 CO 0.02 -0.29 -0.14 -1.10 0.70 0.00 0.00 175.17 174.36 2kcd s GLN 104 N 2.11 2.80 0.27 2.11 -0.21 -1.26 -4.99 119.66 120.50 2kcd s GLN 104 Ca 0.13 -0.97 0.01 0.00 0.02 0.00 0.00 55.36 54.54 2kcd s GLN 104 Cb -0.11 -2.76 0.39 0.00 1.00 0.00 0.00 33.01 31.52 2kcd s GLN 104 CO -0.18 -0.34 1.74 0.00 -2.12 0.00 0.00 175.29 174.40 2kcd h ARG 105 N 7.93 0.62 -0.44 2.91 3.08 -1.99 -2.63 114.38 123.85 2kcd h ARG 105 Ca -0.36 -0.20 0.01 0.00 0.07 0.00 0.00 59.98 59.50 2kcd h ARG 105 Cb 1.11 -0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 2kcd h ARG 105 CO 0.58 0.73 0.28 1.88 -1.07 0.00 0.00 179.97 182.38 2kcd h TYR 106 N 0.56 0.53 -0.64 3.04 0.05 -1.96 -0.36 116.97 118.20 2kcd h TYR 106 Ca 0.10 0.01 -0.08 0.00 0.05 0.00 0.00 58.73 58.82 2kcd h TYR 106 Cb 0.56 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.10 2kcd h TYR 106 CO 0.02 0.33 0.10 1.25 -1.05 0.00 0.00 178.16 178.81 2kcd h LEU 107 N 0.58 1.00 -0.55 3.88 5.85 -1.88 1.95 115.31 126.14 2kcd h LEU 107 Ca 0.17 -0.23 -0.03 0.00 0.84 0.00 0.00 57.88 58.62 2kcd h LEU 107 Cb -0.04 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 40.70 2kcd h LEU 107 CO -0.05 1.00 0.22 0.25 -0.34 0.00 0.00 178.44 179.51 2kcd h LEU 108 N 0.98 0.75 -1.00 2.25 6.46 -1.02 -2.57 115.31 121.16 2kcd h LEU 108 Ca 0.20 -0.17 0.00 0.00 -0.12 0.00 0.00 57.88 57.79 2kcd h LEU 108 Cb 0.42 -0.19 0.00 0.00 -0.73 0.00 0.00 40.66 40.16 2kcd h LEU 108 CO 0.01 0.72 -0.24 0.35 -0.62 0.00 0.00 178.44 178.65 2kcd n THR 109 N -4.51 0.00 -1.48 1.05 -2.24 -0.20 -4.83 114.28 102.06 2kcd n THR 109 Ca 0.03 -0.26 0.00 0.00 -2.27 0.00 0.00 64.05 61.55 2kcd n THR 109 Cb 0.16 0.91 0.00 0.00 -2.10 0.00 0.00 70.33 69.30 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 1.34 -2.14 3.72 3.38 0.00 0.56 -5.01 105.19 107.04 2kcd n GLY 110 Ca 0.13 -0.21 -0.32 0.00 0.00 0.00 0.00 46.02 45.61 2kcd n GLY 110 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2kcd s GLY 111 N -0.30 1.95 1.35 -0.02 0.00 0.41 -4.90 107.32 105.81 2kcd s GLY 111 Ca 0.00 0.63 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 2kcd s GLY 111 CO 0.00 1.02 0.96 1.20 0.00 0.00 0.00 173.10 176.29 2kcd s GLN 112 N -4.40 -2.39 0.00 2.90 -0.21 -1.26 -4.90 119.66 109.41 2kcd s GLN 112 Ca 0.68 0.26 0.29 0.00 0.02 0.00 0.00 55.36 56.61 2kcd s GLN 112 Cb -0.24 -1.43 1.21 0.00 1.00 0.00 0.00 33.01 33.55 2kcd s GLN 112 CO 0.52 -4.55 1.84 1.28 -2.12 0.00 0.00 175.29 172.26 2kcd n LEU 113 N -5.42 0.76 -3.64 2.90 4.32 -1.26 -4.83 117.00 109.83 2kcd n LEU 113 Ca 0.10 -0.17 -0.04 0.00 -0.02 0.00 0.00 56.01 55.89 2kcd n LEU 113 Cb 0.59 -0.10 -0.07 0.00 -1.62 0.00 0.00 43.42 42.22 2kcd n LEU 113 CO 0.46 0.13 0.73 -1.83 -1.22 0.00 0.00 177.39 175.67 2kcd s GLU 114 N -2.28 0.38 0.00 3.23 4.04 -1.26 -5.03 118.70 117.77 2kcd s GLU 114 Ca 0.33 0.59 0.00 0.00 0.04 0.00 0.00 54.97 55.93 2kcd s GLU 114 Cb 0.20 0.11 0.00 0.00 0.02 0.00 0.00 34.13 34.46 2kcd s GLU 114 CO 0.43 -0.07 0.36 1.58 -1.84 0.00 0.00 175.26 175.72 2kcd n HIS 115 N 3.22 0.00 -0.20 4.83 -0.00 -1.26 -4.90 115.22 116.92 2kcd n HIS 115 Ca -0.17 0.00 -0.09 0.00 0.46 0.00 0.00 57.72 57.92 2kcd n HIS 115 Cb 0.57 0.07 0.02 0.00 -0.12 0.00 0.00 29.99 30.53 2kcd n HIS 115 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kcd h HIS 116 N 0.00 1.09 -3.61 1.57 3.86 -2.01 -3.44 115.15 112.61 2kcd h HIS 116 Ca 0.00 -0.19 -0.20 0.00 -1.16 0.00 0.00 60.37 58.82 2kcd h HIS 116 Cb 1.04 -0.28 -0.26 0.00 1.06 0.00 0.00 27.41 28.97 2kcd h HIS 116 CO -0.01 0.98 -0.63 -1.01 0.86 0.00 0.00 177.93 178.12 2kcd s HIS 117 N -5.02 -0.02 0.00 2.45 3.76 -1.26 -5.00 115.29 110.20 2kcd s HIS 117 Ca -0.12 0.07 0.00 0.00 -0.15 0.00 0.00 55.06 54.86 2kcd s HIS 117 Cb 0.13 -0.01 0.00 0.00 1.11 0.00 0.00 32.58 33.81 2kcd s HIS 117 CO 0.85 -0.08 0.00 -2.39 -0.85 0.00 0.00 174.74 172.27 2kcd n HIS 118 N 2.72 0.00 -0.17 1.40 1.44 -1.26 -4.91 115.22 114.43 2kcd n HIS 118 Ca -0.15 0.00 -0.08 0.00 -2.01 0.00 0.00 57.72 55.49 2kcd n HIS 118 Cb 0.59 0.00 0.01 0.00 0.12 0.00 0.00 29.99 30.71 2kcd n HIS 118 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kcd h HIS 119 N 0.00 0.69 0.00 -1.40 -0.00 -1.99 -3.55 115.15 108.90 2kcd h HIS 119 Ca 0.00 -0.02 0.00 0.00 -0.00 0.00 0.00 60.37 60.35 2kcd h HIS 119 Cb 0.00 -0.22 0.00 0.00 -0.00 0.00 0.00 27.41 27.19 2kcd h HIS 119 CO 0.00 0.52 0.00 0.72 -0.00 0.00 0.00 177.93 179.17