#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 -0.27 3.17 -1.04 -1.26 -3.66 114.28 111.23 2kcd n THR 2 Ca 0.00 -0.07 -0.07 0.00 -2.04 0.00 0.00 64.05 61.87 2kcd n THR 2 Cb 0.00 -0.19 0.05 0.00 -1.82 0.00 0.00 70.33 68.38 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -0.64 0.00 0.00 175.07 174.36 2kcd h LEU 3 N 0.66 1.05 0.36 -4.42 3.38 -2.04 0.26 115.31 114.56 2kcd h LEU 3 Ca 0.00 -0.20 -0.02 0.00 0.09 0.00 0.00 57.88 57.75 2kcd h LEU 3 Cb 0.21 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.69 2kcd h LEU 3 CO 0.00 0.97 -0.17 -0.33 0.09 0.00 0.00 178.44 179.00 2kcd h GLU 4 N 1.08 -0.47 -0.44 1.13 4.39 -1.99 0.63 114.58 118.91 2kcd h GLU 4 Ca 0.24 0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.92 2kcd h GLU 4 Cb 0.28 0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 2kcd h GLU 4 CO -0.01 -0.26 0.07 1.25 -1.16 0.00 0.00 179.01 178.90 2kcd h LEU 5 N -0.56 0.70 -0.92 1.33 5.85 -1.75 -2.52 115.31 117.45 2kcd h LEU 5 Ca -0.05 -0.26 -0.09 0.00 0.84 0.00 0.00 57.88 58.32 2kcd h LEU 5 Cb 0.42 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.25 2kcd h LEU 5 CO 0.08 0.78 -0.15 -0.61 -0.34 0.00 0.00 178.44 178.20 2kcd h GLN 6 N 0.59 0.63 -0.57 1.25 5.75 -0.38 -2.62 115.11 119.75 2kcd h GLN 6 Ca 0.13 -0.21 -0.02 0.00 -0.15 0.00 0.00 58.65 58.40 2kcd h GLN 6 Cb 0.38 -0.05 -0.03 0.00 1.07 0.00 0.00 27.48 28.85 2kcd h GLN 6 CO 0.01 0.75 0.27 1.25 -2.65 0.00 0.00 178.83 178.46 2kcd h LEU 7 N 0.57 0.76 -0.81 -2.39 5.85 0.51 -2.17 115.31 117.63 2kcd h LEU 7 Ca 0.10 -0.14 -0.04 0.00 0.84 0.00 0.00 57.88 58.64 2kcd h LEU 7 Cb 0.58 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.38 2kcd h LEU 7 CO 0.04 0.68 0.37 0.11 -0.34 0.00 0.00 178.44 179.30 2kcd h LYS 8 N 0.78 1.19 -0.69 1.25 1.57 -1.23 -2.22 116.57 117.22 2kcd h LYS 8 Ca 0.20 -0.19 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2kcd h LYS 8 Cb 0.13 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.20 2kcd h LYS 8 CO -0.02 0.93 0.45 1.25 -0.57 0.00 0.00 179.45 181.49 2kcd h HIS 9 N 1.17 0.88 -0.05 -1.35 2.76 -1.09 0.28 115.15 117.74 2kcd h HIS 9 Ca 0.28 0.02 -0.00 0.00 -2.20 0.00 0.00 60.37 58.46 2kcd h HIS 9 Cb 0.16 -0.29 -0.00 0.00 1.55 0.00 0.00 27.41 28.82 2kcd h HIS 9 CO 0.02 0.56 0.02 -0.92 -1.30 0.00 0.00 177.93 176.31 2kcd h TYR 10 N 0.94 0.07 -0.41 5.26 3.20 -1.00 0.19 116.97 125.23 2kcd h TYR 10 Ca 0.25 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 62.07 2kcd h TYR 10 Cb -0.09 -0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.14 2kcd h TYR 10 CO -0.02 0.19 0.05 0.82 -1.64 0.00 0.00 178.16 177.56 2kcd h ILE 11 N -0.07 1.25 -0.21 1.81 1.08 -1.17 0.32 117.51 120.52 2kcd h ILE 11 Ca 0.02 -0.91 -0.02 0.00 -0.39 0.00 0.00 64.86 63.56 2kcd h ILE 11 Cb 0.15 1.04 -0.01 0.00 -3.07 0.00 0.00 36.82 34.93 2kcd h ILE 11 CO -0.00 0.31 0.06 0.71 -0.69 0.00 0.00 178.15 178.54 2kcd h THR 12 N 0.53 1.20 -0.52 -0.27 1.35 -0.35 -0.02 112.91 114.83 2kcd h THR 12 Ca 0.12 -0.65 -0.10 0.00 -0.55 0.00 0.00 66.41 65.24 2kcd h THR 12 Cb 0.40 1.22 -0.02 0.00 -1.73 0.00 0.00 68.15 68.02 2kcd h THR 12 CO 0.01 0.20 -0.05 -1.13 -0.25 0.00 0.00 175.52 174.30 2kcd h ASN 13 N 0.17 0.94 -0.52 5.36 -1.24 -0.53 2.53 115.58 122.30 2kcd h ASN 13 Ca 0.07 -0.33 -0.03 0.00 0.71 0.00 0.00 56.30 56.71 2kcd h ASN 13 Cb 0.26 -0.25 -0.02 0.00 0.73 0.00 0.00 38.32 39.03 2kcd h ASN 13 CO -0.00 1.05 0.19 0.25 -1.29 0.00 0.00 177.43 177.63 2kcd h LEU 14 N 0.81 0.73 -2.18 0.34 5.85 -0.21 -2.81 115.31 117.84 2kcd h LEU 14 Ca 0.14 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.68 2kcd h LEU 14 Cb 0.60 -0.19 0.00 0.00 0.37 0.00 0.00 40.66 41.44 2kcd h LEU 14 CO 0.04 0.72 0.00 0.49 -0.34 0.00 0.00 178.44 179.34 2kcd n PHE 15 N -4.52 0.32 -3.77 1.25 3.72 -0.04 -4.96 117.46 109.47 2kcd n PHE 15 Ca 0.02 -0.17 -0.26 0.00 -0.05 0.00 0.00 57.45 57.00 2kcd n PHE 15 Cb 0.17 -0.00 0.04 0.00 -0.94 0.00 0.00 39.48 38.75 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 1.40 -3.76 -4.90 4.37 2.85 0.81 -4.97 115.26 111.06 2kcd n ASN 16 Ca 0.17 -0.74 -0.32 0.00 -0.11 0.00 0.00 54.58 53.58 2kcd n ASN 16 Cb 0.59 -4.21 -0.05 0.00 1.24 0.00 0.00 39.78 37.36 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 -7.04 4.31 -0.22 1.20 1.43 0.12 -4.97 118.68 113.51 2kcd s LEU 17 Ca 0.40 0.48 -0.29 0.00 -1.03 0.00 0.00 54.13 53.70 2kcd s LEU 17 Cb -0.20 -3.12 -0.03 0.00 0.03 0.00 0.00 46.19 42.87 2kcd s LEU 17 CO 0.80 0.11 1.73 -2.16 0.23 0.00 0.00 176.35 177.07 2kcd s PRO 18 N -2.51 3.68 0.00 1.29 0.04 -1.26 -4.64 135.00 131.60 2kcd s PRO 18 Ca 0.38 1.73 0.22 0.00 0.04 0.00 0.00 61.00 63.36 2kcd s PRO 18 Cb -0.13 -4.11 1.06 0.00 0.04 0.00 0.00 34.50 31.37 2kcd s PRO 18 CO 0.25 -1.44 1.70 2.89 0.04 0.00 0.00 177.00 180.43 2kcd n ARG 19 N 7.89 0.26 0.00 4.56 1.85 -1.26 -2.69 116.66 127.27 2kcd n ARG 19 Ca 0.21 0.09 0.14 0.00 -1.00 0.00 0.00 57.85 57.28 2kcd n ARG 19 Cb 0.45 -1.50 0.79 0.00 -1.05 0.00 0.00 32.46 31.15 2kcd n ARG 19 CO 0.00 0.00 0.00 -0.25 -0.01 0.00 0.00 177.63 177.37 2kcd n ASP 20 N -1.32 0.00 -4.56 2.89 8.00 -1.26 -4.65 116.55 115.65 2kcd n ASP 20 Ca 0.09 -0.71 -0.39 0.00 0.71 0.00 0.00 54.79 54.49 2kcd n ASP 20 Cb 0.19 -0.06 -0.11 0.00 -0.02 0.00 0.00 41.12 41.12 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 -2.11 3.70 0.26 -1.24 2.12 -1.10 -5.06 118.70 115.27 2kcd s GLU 21 Ca 0.38 -0.48 -0.30 0.00 0.36 0.00 0.00 54.97 54.94 2kcd s GLU 21 Cb 0.19 -3.74 -0.09 0.00 0.26 0.00 0.00 34.13 30.74 2kcd s GLU 21 CO 0.34 -0.34 1.00 0.21 -0.54 0.00 0.00 175.26 175.93 2kcd s LYS 22 N 1.76 4.76 0.45 4.30 2.47 -1.26 -5.05 119.74 127.16 2kcd s LYS 22 Ca 0.07 1.60 0.08 0.00 -1.56 0.00 0.00 55.97 56.16 2kcd s LYS 22 Cb -0.17 -3.21 0.01 0.00 -1.46 0.00 0.00 37.83 33.00 2kcd s LYS 22 CO 0.11 0.39 0.50 -1.58 0.16 0.00 0.00 175.35 174.92 2kcd s TRP 23 N -1.20 2.51 -0.20 4.03 0.51 -1.26 -4.97 118.94 118.36 2kcd s TRP 23 Ca 0.43 -0.51 -0.05 0.00 -2.12 0.00 0.00 56.10 53.85 2kcd s TRP 23 Cb -0.28 -2.23 -0.02 0.00 -0.81 0.00 0.00 33.47 30.13 2kcd s TRP 23 CO 0.35 -0.38 -0.01 -2.00 -0.51 0.00 0.00 176.95 174.39 2kcd s GLU 24 N -4.28 3.56 -0.10 4.98 2.56 -0.94 -4.92 118.70 119.54 2kcd s GLU 24 Ca 0.51 -0.55 -0.09 0.00 0.00 0.00 0.00 54.97 54.85 2kcd s GLU 24 Cb -0.06 -3.05 -0.04 0.00 2.00 0.00 0.00 34.13 32.98 2kcd s GLU 24 CO 0.31 -0.02 0.19 0.00 -0.56 0.00 0.00 175.26 175.17 2kcd s GLU 26 N -0.93 2.06 -0.41 0.00 2.56 -0.79 -4.95 118.70 116.23 2kcd s GLU 26 Ca 0.16 -0.49 -0.21 0.00 0.00 0.00 0.00 54.97 54.43 2kcd s GLU 26 Cb -0.13 -1.98 0.02 0.00 2.00 0.00 0.00 34.13 34.04 2kcd s GLU 26 CO 0.05 -0.26 0.66 0.45 -0.56 0.00 0.00 175.26 175.60 2kcd s SER 27 N 1.55 6.37 -0.06 -1.70 0.15 -1.26 -2.36 113.70 116.39 2kcd s SER 27 Ca 0.05 -0.12 0.06 0.00 0.70 0.00 0.00 55.95 56.63 2kcd s SER 27 Cb -0.13 -2.33 -0.01 0.00 -1.71 0.00 0.00 66.02 61.84 2kcd s SER 27 CO -0.10 -0.72 -0.24 -0.63 1.20 0.00 0.00 173.24 172.75 2kcd s ILE 28 N 2.83 1.95 -0.14 6.45 -1.09 0.39 -4.91 121.20 126.68 2kcd s ILE 28 Ca 0.24 -1.00 -0.29 0.00 -2.23 0.00 0.00 60.65 57.37 2kcd s ILE 28 Cb -0.14 -1.66 -0.01 0.00 -1.58 0.00 0.00 42.46 39.07 2kcd s ILE 28 CO 0.18 0.54 0.99 -1.61 -1.23 0.00 0.00 174.94 173.81 2kcd s GLU 29 N -0.06 4.37 0.03 2.79 2.02 -1.26 0.21 118.70 126.79 2kcd s GLU 29 Ca -0.06 1.33 -0.18 0.00 0.02 0.00 0.00 54.97 56.09 2kcd s GLU 29 Cb -0.14 -3.57 0.03 0.00 0.10 0.00 0.00 34.13 30.56 2kcd s GLU 29 CO 0.04 -0.39 0.39 -2.00 0.02 0.00 0.00 175.26 173.33 2kcd s GLU 30 N 2.29 0.86 0.22 1.61 2.12 -1.10 -4.93 118.70 119.77 2kcd s GLU 30 Ca 0.46 -0.31 -0.30 0.00 0.36 0.00 0.00 54.97 55.17 2kcd s GLU 30 Cb -0.17 0.38 -0.10 0.00 0.26 0.00 0.00 34.13 34.51 2kcd s GLU 30 CO 0.15 -0.28 1.41 0.08 -0.54 0.00 0.00 175.26 176.07 2kcd s VAL 31 N -2.18 2.86 0.28 3.70 1.01 -1.26 -1.64 120.40 123.17 2kcd s VAL 31 Ca -0.07 0.70 -0.02 0.00 0.00 0.00 0.00 61.98 62.58 2kcd s VAL 31 Cb -0.02 -3.45 0.22 0.00 0.00 0.00 0.00 36.38 33.14 2kcd s VAL 31 CO -0.00 0.10 1.91 0.00 0.00 0.00 0.00 175.10 177.10 2kcd h ALA 32 N 5.41 1.31 -0.36 5.51 0.00 -1.81 -2.30 119.26 127.03 2kcd h ALA 32 Ca -0.45 -0.11 -0.03 0.00 0.00 0.00 0.00 54.91 54.32 2kcd h ALA 32 Cb 1.21 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 2kcd h ALA 32 CO 0.79 0.56 0.10 0.22 0.00 0.00 0.00 179.25 180.92 2kcd h ASP 33 N 1.04 0.47 0.40 0.00 1.82 -1.84 1.62 116.42 119.92 2kcd h ASP 33 Ca 0.26 -0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.85 2kcd h ASP 33 Cb 0.03 -0.12 0.00 0.00 0.68 0.00 0.00 39.33 39.92 2kcd h ASP 33 CO -0.04 0.46 0.00 0.47 -1.61 0.00 0.00 179.24 178.52 2kcd n ASP 34 N -4.36 0.00 0.00 2.28 8.00 -0.86 -3.32 116.55 118.29 2kcd n ASP 34 Ca 0.02 0.31 0.00 0.00 0.71 0.00 0.00 54.79 55.83 2kcd n ASP 34 Cb 0.17 -0.40 0.00 0.00 -0.02 0.00 0.00 41.12 40.87 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 -1.40 0.00 -3.83 0.53 -5.35 -0.44 -4.98 119.36 103.88 2kcd n ILE 35 Ca 0.05 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.17 2kcd n ILE 35 Cb 0.15 0.09 -0.13 0.00 -1.74 0.00 0.00 39.64 38.01 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 -1.76 4.60 0.62 7.28 1.43 0.54 -5.09 118.68 126.31 2kcd s LEU 36 Ca 0.00 -1.62 -0.17 0.00 -1.03 0.00 0.00 54.13 51.30 2kcd s LEU 36 Cb 0.00 -1.79 -0.07 0.00 0.03 0.00 0.00 46.19 44.36 2kcd s LEU 36 CO 0.00 -0.40 0.50 -2.65 0.23 0.00 0.00 176.35 174.02 2kcd n PRO 37 N 4.63 0.43 0.00 1.29 -0.02 -1.26 -4.37 135.00 135.70 2kcd n PRO 37 Ca -0.08 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2kcd n PRO 37 Cb 0.43 -1.72 0.00 0.00 -0.02 0.00 0.00 33.50 32.18 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 0.31 0.00 -0.28 2.55 8.00 -1.26 -1.14 116.55 124.73 2kcd n ASP 38 Ca 0.11 0.26 -0.06 0.00 0.71 0.00 0.00 54.79 55.80 2kcd n ASP 38 Cb 0.48 -0.26 0.06 0.00 -0.02 0.00 0.00 41.12 41.39 2kcd n ASP 38 CO 0.00 0.00 0.00 1.56 -0.39 0.00 0.00 177.20 178.37 2kcd h GLN 39 N 0.00 1.16 -0.01 -1.24 1.08 -2.01 -3.13 115.11 110.95 2kcd h GLN 39 Ca 0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 58.65 56.98 2kcd h GLN 39 Cb 0.41 -0.18 0.00 0.00 -0.05 0.00 0.00 27.48 27.66 2kcd h GLN 39 CO 0.00 0.95 -0.04 0.66 -0.95 0.00 0.00 178.83 179.45 2kcd n TYR 40 N -4.29 0.00 -3.71 2.96 4.01 -0.29 -4.87 117.16 110.97 2kcd n TYR 40 Ca 0.07 0.00 -0.38 0.00 -0.16 0.00 0.00 57.90 57.43 2kcd n TYR 40 Cb 0.20 0.00 -0.11 0.00 -0.31 0.00 0.00 39.34 39.12 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 -1.10 3.58 0.00 -0.72 1.01 -1.11 -4.64 120.40 117.41 2kcd s VAL 41 Ca 0.13 -1.93 0.00 0.00 0.00 0.00 0.00 61.98 60.18 2kcd s VAL 41 Cb 0.10 -3.40 0.00 0.00 0.00 0.00 0.00 36.38 33.08 2kcd s VAL 41 CO 0.18 -0.69 0.00 -2.11 0.00 0.00 0.00 175.10 172.48 2kcd n ARG 42 N 4.70 0.00 -0.22 2.72 1.85 -1.26 -4.68 116.66 119.77 2kcd n ARG 42 Ca -0.04 0.00 -0.08 0.00 -1.00 0.00 0.00 57.85 56.73 2kcd n ARG 42 Cb 0.41 0.00 0.03 0.00 -1.05 0.00 0.00 32.46 31.85 2kcd n ARG 42 CO 0.00 0.00 0.00 -0.07 -0.01 0.00 0.00 177.63 177.55 2kcd h LEU 43 N 0.00 0.88 0.00 2.89 -0.00 -1.97 -3.48 115.31 113.63 2kcd h LEU 43 Ca 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 57.88 57.68 2kcd h LEU 43 Cb 0.11 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.54 2kcd h LEU 43 CO 0.00 0.84 0.00 0.61 -0.00 0.00 0.00 178.44 179.89 2kcd n GLY 44 N -0.73 2.62 0.34 0.83 0.00 -1.26 -4.93 105.19 102.06 2kcd n GLY 44 Ca 0.04 -0.61 0.09 0.00 0.00 0.00 0.00 46.02 45.53 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 0.79 -0.01 1.61 0.11 -2.03 0.15 132.00 132.63 2kcd h PRO 45 Ca 0.00 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.06 2kcd h PRO 45 Cb 0.00 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 30.93 2kcd h PRO 45 CO 0.00 0.53 -0.15 1.28 -0.21 0.00 0.00 178.00 179.44 2kcd n LEU 46 N -4.74 1.02 -4.76 2.35 4.77 -1.26 -4.71 117.00 109.68 2kcd n LEU 46 Ca 0.20 -0.27 -0.40 0.00 -0.03 0.00 0.00 56.01 55.51 2kcd n LEU 46 Cb 0.45 -0.10 -0.05 0.00 -2.33 0.00 0.00 43.42 41.40 2kcd n LEU 46 CO 0.24 0.18 0.75 -0.44 -1.33 0.00 0.00 177.39 176.79 2kcd s SER 47 N -2.34 7.35 -1.15 -1.43 0.01 0.53 -3.66 113.70 113.00 2kcd s SER 47 Ca 0.30 2.17 -0.13 0.00 1.31 0.00 0.00 55.95 59.59 2kcd s SER 47 Cb 0.20 -2.62 0.12 0.00 0.21 0.00 0.00 66.02 63.93 2kcd s SER 47 CO 0.46 -0.08 0.39 -0.46 0.41 0.00 0.00 173.24 173.96 2kcd n ASN 48 N 1.19 -2.08 -4.35 2.44 0.23 -1.26 -4.91 115.26 106.52 2kcd n ASN 48 Ca -0.01 -0.49 -0.30 0.00 -0.53 0.00 0.00 54.58 53.25 2kcd n ASN 48 Cb 0.46 -1.81 -0.14 0.00 -2.08 0.00 0.00 39.78 36.20 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 2kcd s LYS 49 N -6.24 1.69 -0.40 -3.83 2.20 -1.24 -5.06 119.74 106.86 2kcd s LYS 49 Ca 0.47 -1.15 -0.24 0.00 -0.36 0.00 0.00 55.97 54.69 2kcd s LYS 49 Cb -0.27 -1.93 0.02 0.00 -1.51 0.00 0.00 37.83 34.14 2kcd s LYS 49 CO 0.57 0.49 0.82 0.42 -0.36 0.00 0.00 175.35 177.29 2kcd s ILE 50 N -0.86 4.66 -0.06 5.43 1.01 -1.26 -2.73 121.20 127.39 2kcd s ILE 50 Ca 0.12 0.76 -0.08 0.00 0.00 0.00 0.00 60.65 61.46 2kcd s ILE 50 Cb -0.10 -4.28 -0.04 0.00 0.01 0.00 0.00 42.46 38.04 2kcd s ILE 50 CO 0.03 -0.58 0.22 -0.76 0.00 0.00 0.00 174.94 173.84 2kcd s LEU 51 N 3.28 4.40 -0.22 2.97 2.01 -0.65 -4.86 118.68 125.60 2kcd s LEU 51 Ca 0.32 0.55 -0.29 0.00 0.01 0.00 0.00 54.13 54.72 2kcd s LEU 51 Cb -0.12 -2.35 -0.01 0.00 0.01 0.00 0.00 46.19 43.71 2kcd s LEU 51 CO 0.20 0.34 1.37 -1.10 1.01 0.00 0.00 176.35 178.17 2kcd s GLN 52 N -1.31 4.02 -0.30 1.70 -0.21 -1.02 -2.70 119.66 119.84 2kcd s GLN 52 Ca 0.21 1.54 -0.19 0.00 0.02 0.00 0.00 55.36 56.93 2kcd s GLN 52 Cb -0.13 -3.87 -0.01 0.00 1.00 0.00 0.00 33.01 29.99 2kcd s GLN 52 CO 0.10 -0.99 0.57 0.95 -2.12 0.00 0.00 175.29 173.80 2kcd s THR 53 N 4.19 5.00 -0.45 -0.19 -4.23 0.13 -1.78 115.64 118.31 2kcd s THR 53 Ca 0.60 0.79 -0.09 0.00 -1.18 0.00 0.00 61.69 61.80 2kcd s THR 53 Cb -0.21 -3.93 0.10 0.00 1.34 0.00 0.00 72.50 69.79 2kcd s THR 53 CO 0.22 -0.07 0.30 0.20 -0.54 0.00 0.00 174.62 174.73 2kcd s ASN 54 N 1.62 5.68 -0.14 3.99 0.01 -0.25 -0.46 114.94 125.39 2kcd s ASN 54 Ca 0.23 -1.70 -0.09 0.00 -0.71 0.00 0.00 52.86 50.58 2kcd s ASN 54 Cb -0.15 -2.00 -0.05 0.00 0.41 0.00 0.00 41.25 39.46 2kcd s ASN 54 CO 0.11 -0.62 0.18 -0.89 -1.51 0.00 0.00 177.10 174.37 2kcd s THR 55 N 1.40 5.41 -0.22 1.60 2.01 -1.00 -2.48 115.64 122.37 2kcd s THR 55 Ca 0.04 0.29 -0.12 0.00 0.31 0.00 0.00 61.69 62.22 2kcd s THR 55 Cb -0.25 -3.48 -0.05 0.00 0.01 0.00 0.00 72.50 68.74 2kcd s THR 55 CO 0.01 0.53 0.23 -0.31 -0.69 0.00 0.00 174.62 174.38 2kcd s TYR 56 N -0.38 3.36 -0.22 4.92 1.51 -1.12 -1.89 117.35 123.52 2kcd s TYR 56 Ca 0.13 0.37 -0.02 0.00 -1.01 0.00 0.00 57.07 56.55 2kcd s TYR 56 Cb -0.12 -2.32 0.01 0.00 -0.11 0.00 0.00 41.96 39.41 2kcd s TYR 56 CO 0.03 0.09 -0.08 0.71 -1.11 0.00 0.00 175.55 175.19 2kcd s TYR 57 N 0.97 2.95 0.05 2.71 2.02 0.10 -4.29 117.35 121.86 2kcd s TYR 57 Ca 0.11 -1.30 0.01 0.00 -0.37 0.00 0.00 57.07 55.53 2kcd s TYR 57 Cb -0.13 -2.05 -0.03 0.00 -0.40 0.00 0.00 41.96 39.35 2kcd s TYR 57 CO 0.04 -0.67 -0.06 0.45 -1.57 0.00 0.00 175.55 173.75 2kcd s SER 58 N 1.39 0.75 0.17 2.29 0.15 -1.26 -2.21 113.70 114.97 2kcd s SER 58 Ca 0.04 -0.70 -0.14 0.00 0.70 0.00 0.00 55.95 55.84 2kcd s SER 58 Cb -0.15 0.08 0.06 0.00 -1.71 0.00 0.00 66.02 64.30 2kcd s SER 58 CO -0.06 -0.34 1.80 0.44 1.20 0.00 0.00 173.24 176.28 2kcd h ASP 59 N 4.00 0.64 -0.33 5.45 3.32 -1.99 0.13 116.42 127.63 2kcd h ASP 59 Ca -0.35 -0.07 -0.03 0.00 0.02 0.00 0.00 57.03 56.61 2kcd h ASP 59 Cb 1.19 -0.16 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 2kcd h ASP 59 CO 0.50 0.52 0.10 0.74 -1.72 0.00 0.00 179.24 179.37 2kcd h THR 60 N 0.70 1.21 -0.75 0.35 2.02 -1.99 -2.57 112.91 111.88 2kcd h THR 60 Ca 0.19 -0.67 -0.05 0.00 0.77 0.00 0.00 66.41 66.65 2kcd h THR 60 Cb 0.00 1.02 -0.03 0.00 -1.74 0.00 0.00 68.15 67.40 2kcd h THR 60 CO -0.03 0.23 0.27 -0.07 0.37 0.00 0.00 175.52 176.29 2kcd h LEU 61 N 0.38 1.06 -0.80 2.58 3.38 -1.81 -2.48 115.31 117.62 2kcd h LEU 61 Ca 0.11 -0.18 0.07 0.00 0.09 0.00 0.00 57.88 57.97 2kcd h LEU 61 Cb 0.25 -0.28 -0.06 0.00 0.09 0.00 0.00 40.66 40.66 2kcd h LEU 61 CO -0.00 0.96 0.47 -0.74 0.09 0.00 0.00 178.44 179.21 2kcd h HIS 62 N 1.11 0.87 -0.65 1.13 2.76 -0.48 0.46 115.15 120.34 2kcd h HIS 62 Ca 0.25 0.03 -0.05 0.00 -2.20 0.00 0.00 60.37 58.40 2kcd h HIS 62 Cb 0.25 -0.27 -0.03 0.00 1.55 0.00 0.00 27.41 28.91 2kcd h HIS 62 CO 0.02 0.41 0.21 0.87 -1.30 0.00 0.00 177.93 178.15 2kcd h LYS 63 N 0.85 1.01 0.00 5.26 1.57 -1.06 -1.49 116.57 122.70 2kcd h LYS 63 Ca 0.36 -0.21 0.00 0.00 -1.87 0.00 0.00 60.65 58.93 2kcd h LYS 63 Cb 0.22 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.38 2kcd h LYS 63 CO -0.19 0.88 0.00 0.45 -0.57 0.00 0.00 179.45 180.01 2kcd n SER 64 N -4.36 0.00 -3.16 0.86 2.88 -0.61 -4.88 113.62 104.36 2kcd n SER 64 Ca 0.04 -0.27 -0.23 0.00 -1.33 0.00 0.00 58.87 57.08 2kcd n SER 64 Cb 0.21 -0.22 0.03 0.00 -0.75 0.00 0.00 64.21 63.49 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 2kcd n ASN 65 N -1.22 -5.72 -4.29 -3.46 3.02 0.05 -4.81 115.26 98.84 2kcd n ASN 65 Ca 0.14 -0.34 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 2kcd n ASN 65 Cb 0.18 -4.62 -0.16 0.00 -0.61 0.00 0.00 39.78 34.57 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2kcd s ILE 66 N -3.16 2.52 -0.49 2.41 1.01 -0.99 -4.06 121.20 118.45 2kcd s ILE 66 Ca 0.36 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 60.16 2kcd s ILE 66 Cb -0.16 -2.02 0.13 0.00 0.01 0.00 0.00 42.46 40.42 2kcd s ILE 66 CO 0.44 0.54 0.25 -0.31 0.00 0.00 0.00 174.94 175.87 2kcd s TYR 67 N 0.37 3.46 0.25 3.97 2.02 -1.04 -4.57 117.35 121.81 2kcd s TYR 67 Ca -0.15 -2.84 -0.31 0.00 -0.37 0.00 0.00 57.07 53.40 2kcd s TYR 67 Cb -0.17 -3.04 -0.14 0.00 -0.40 0.00 0.00 41.96 38.21 2kcd s TYR 67 CO 0.07 -0.87 1.31 -2.30 -1.57 0.00 0.00 175.55 172.20 2kcd n PRO 68 N 3.79 1.84 -4.71 -1.71 -0.02 -1.26 -2.52 135.00 130.41 2kcd n PRO 68 Ca 0.04 0.65 -0.27 0.00 -2.02 0.00 0.00 63.50 61.90 2kcd n PRO 68 Cb 0.38 -2.25 -0.17 0.00 -0.02 0.00 0.00 33.50 31.45 2kcd n PRO 68 CO 0.00 0.00 0.00 0.12 1.98 0.00 0.00 175.50 177.60 2kcd s PHE 69 N -0.31 1.84 -0.02 6.00 5.36 0.17 -2.79 117.98 128.22 2kcd s PHE 69 Ca 0.66 -0.75 0.01 0.00 -0.96 0.00 0.00 56.93 55.89 2kcd s PHE 69 Cb -0.68 -1.31 0.01 0.00 -0.34 0.00 0.00 43.02 40.71 2kcd s PHE 69 CO 0.53 -0.36 -0.03 0.42 -1.46 0.00 0.00 175.22 174.31 2kcd s ILE 70 N 0.66 0.38 -0.08 3.12 1.01 -1.04 -0.36 121.20 124.89 2kcd s ILE 70 Ca -0.14 -0.10 -0.03 0.00 0.00 0.00 0.00 60.65 60.38 2kcd s ILE 70 Cb -0.16 -0.39 -0.04 0.00 0.01 0.00 0.00 42.46 41.88 2kcd s ILE 70 CO 0.04 0.16 0.04 -0.76 0.00 0.00 0.00 174.94 174.42 2kcd s LEU 71 N 0.52 3.80 0.09 2.97 1.43 -0.66 -1.09 118.68 125.74 2kcd s LEU 71 Ca -0.06 0.22 0.08 0.00 -1.03 0.00 0.00 54.13 53.33 2kcd s LEU 71 Cb -0.09 -1.93 -0.03 0.00 0.03 0.00 0.00 46.19 44.17 2kcd s LEU 71 CO -0.00 0.37 -0.20 -0.31 0.23 0.00 0.00 176.35 176.44 2kcd s TYR 72 N -0.96 1.71 -0.42 0.29 1.51 -0.73 0.05 117.35 118.80 2kcd s TYR 72 Ca 0.15 -0.41 0.03 0.00 -1.01 0.00 0.00 57.07 55.82 2kcd s TYR 72 Cb -0.12 -0.96 0.19 0.00 -0.11 0.00 0.00 41.96 40.97 2kcd s TYR 72 CO 0.04 0.16 0.80 -0.47 -1.11 0.00 0.00 175.55 174.97 2kcd s TYR 73 N -1.09 -1.26 0.00 2.71 5.04 -1.09 -2.44 117.35 119.23 2kcd s TYR 73 Ca 0.06 -0.09 0.00 0.00 -2.44 0.00 0.00 57.07 54.60 2kcd s TYR 73 Cb -0.10 0.24 0.00 0.00 0.35 0.00 0.00 41.96 42.45 2kcd s TYR 73 CO 0.03 -0.91 0.00 0.94 -1.34 0.00 0.00 175.55 174.27 2kcd n GLN 74 N 3.57 0.00 -2.12 4.97 7.27 -1.26 -4.50 117.38 125.31 2kcd n GLN 74 Ca 0.12 0.00 -0.42 0.00 0.07 0.00 0.00 57.00 56.78 2kcd n GLN 74 Cb 0.59 0.00 -0.01 0.00 2.41 0.00 0.00 30.24 33.23 2kcd n GLN 74 CO 0.00 0.00 0.00 1.63 0.07 0.00 0.00 177.06 178.76 2kcd n LYS 75 N 0.00 2.87 0.00 3.69 5.02 -1.26 -4.93 118.16 123.54 2kcd n LYS 75 Ca 0.00 -2.87 0.00 0.00 -2.02 0.00 0.00 58.31 53.42 2kcd n LYS 75 Cb 0.00 -3.40 0.00 0.00 -0.02 0.00 0.00 35.03 31.61 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 7.37 0.00 -2.48 1.97 1.13 -1.26 -4.52 117.38 119.59 2kcd n GLN 76 Ca 0.50 0.00 -0.35 0.00 -1.94 0.00 0.00 57.00 55.21 2kcd n GLN 76 Cb 0.43 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.75 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 3.93 -0.17 1.08 0.05 -1.26 -2.66 118.68 119.64 2kcd s LEU 77 Ca 0.00 2.03 -0.01 0.00 0.05 0.00 0.00 54.13 56.20 2kcd s LEU 77 Cb 0.00 -4.43 -0.10 0.00 -2.05 0.00 0.00 46.19 39.60 2kcd s LEU 77 CO 0.00 -0.78 -0.16 -0.38 -0.55 0.00 0.00 176.35 174.48 2kcd n ILE 78 N -0.73 0.97 -3.81 1.48 2.08 0.11 -4.91 119.36 114.56 2kcd n ILE 78 Ca 0.08 -0.35 -0.10 0.00 0.56 0.00 0.00 62.75 62.94 2kcd n ILE 78 Cb 0.51 -1.22 -0.07 0.00 -0.75 0.00 0.00 39.64 38.11 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 -2.34 -0.45 -0.02 -1.39 0.00 -1.25 -2.14 121.76 114.17 2kcd s ALA 79 Ca -0.23 -0.30 0.04 0.00 0.00 0.00 0.00 51.96 51.47 2kcd s ALA 79 Cb 0.07 0.40 -0.01 0.00 0.00 0.00 0.00 23.12 23.58 2kcd s ALA 79 CO 0.37 -0.45 -0.15 0.42 0.00 0.00 0.00 175.76 175.96 2kcd s ILE 80 N -3.13 1.18 -0.28 0.00 1.01 -0.64 -1.66 121.20 117.69 2kcd s ILE 80 Ca -0.01 -0.61 -0.23 0.00 0.00 0.00 0.00 60.65 59.79 2kcd s ILE 80 Cb 0.01 -1.00 0.12 0.00 0.01 0.00 0.00 42.46 41.60 2kcd s ILE 80 CO -0.07 0.34 0.99 -0.83 0.00 0.00 0.00 174.94 175.37 2kcd s GLY 81 N -0.15 -0.18 0.07 6.18 0.00 0.51 -3.36 107.32 110.39 2kcd s GLY 81 Ca 0.02 2.69 0.03 0.00 0.00 0.00 0.00 44.72 47.46 2kcd s GLY 81 CO 0.00 1.96 0.04 -1.36 0.00 0.00 0.00 173.10 173.74 2kcd s PHE 82 N 0.45 3.10 -0.32 1.90 0.08 -1.02 0.42 117.98 122.59 2kcd s PHE 82 Ca 0.01 0.04 -0.11 0.00 0.12 0.00 0.00 56.93 56.99 2kcd s PHE 82 Cb -0.05 -1.59 -0.02 0.00 -0.57 0.00 0.00 43.02 40.79 2kcd s PHE 82 CO -0.07 0.50 0.19 0.42 -0.10 0.00 0.00 175.22 176.15 2kcd s ILE 83 N -1.32 4.95 0.67 0.64 1.01 -1.05 -1.86 121.20 124.26 2kcd s ILE 83 Ca 0.27 -0.25 -0.06 0.00 0.00 0.00 0.00 60.65 60.61 2kcd s ILE 83 Cb -0.12 -3.50 0.14 0.00 0.01 0.00 0.00 42.46 38.99 2kcd s ILE 83 CO 0.19 0.07 0.92 0.47 0.00 0.00 0.00 174.94 176.59 2kcd n ASP 84 N 5.04 0.67 0.07 3.58 8.00 -1.18 -2.51 116.55 130.22 2kcd n ASP 84 Ca -0.13 -1.70 0.00 0.00 0.71 0.00 0.00 54.79 53.67 2kcd n ASP 84 Cb 0.50 -0.65 0.31 0.00 -0.02 0.00 0.00 41.12 41.26 2kcd n ASP 84 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 2kcd h GLU 85 N 0.00 0.34 -0.72 -1.24 5.08 -1.88 -1.65 114.58 114.52 2kcd h GLU 85 Ca -0.30 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 57.96 2kcd h GLU 85 Cb 0.97 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.19 2kcd h GLU 85 CO 0.27 0.51 0.00 -1.71 -1.00 0.00 0.00 179.01 177.08 2kcd n ASN 86 N -4.21 0.73 0.00 1.42 5.15 -1.26 -4.79 115.26 112.31 2kcd n ASN 86 Ca -0.00 -2.00 0.00 0.00 -0.60 0.00 0.00 54.58 51.98 2kcd n ASN 86 Cb 0.32 -0.36 0.00 0.00 -0.53 0.00 0.00 39.78 39.21 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 -0.14 0.00 -2.57 1.20 -0.00 -0.62 -4.89 115.22 108.21 2kcd n HIS 87 Ca 0.00 0.00 -0.43 0.00 -0.00 0.00 0.00 57.72 57.29 2kcd n HIS 87 Cb 0.18 -1.68 -0.02 0.00 -0.00 0.00 0.00 29.99 28.47 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 -1.74 7.01 -0.22 0.26 -1.08 -1.26 -4.77 116.67 114.86 2kcd s ASP 88 Ca 0.00 1.45 -0.29 0.00 -0.52 0.00 0.00 52.55 53.19 2kcd s ASP 88 Cb 0.00 -2.54 0.01 0.00 -1.46 0.00 0.00 42.92 38.93 2kcd s ASP 88 CO 0.00 -0.74 1.08 -0.04 0.52 0.00 0.00 175.17 175.99 2kcd s MET 89 N 3.39 4.25 -0.35 4.34 -1.94 -1.26 -3.13 119.30 124.60 2kcd s MET 89 Ca 0.48 1.41 -0.15 0.00 -1.71 0.00 0.00 55.69 55.73 2kcd s MET 89 Cb -0.17 -3.66 -0.01 0.00 2.01 0.00 0.00 34.83 33.00 2kcd s MET 89 CO 0.11 -0.65 0.34 -0.51 -0.01 0.00 0.00 175.02 174.30 2kcd s ASP 90 N 1.34 6.15 -0.10 3.03 1.01 -0.77 -4.91 116.67 122.41 2kcd s ASP 90 Ca 0.46 -0.36 -0.25 0.00 0.71 0.00 0.00 52.55 53.11 2kcd s ASP 90 Cb -0.16 -2.19 -0.03 0.00 1.01 0.00 0.00 42.92 41.56 2kcd s ASP 90 CO 0.08 -0.35 0.77 -0.36 0.21 0.00 0.00 175.17 175.52 2kcd s PHE 91 N 1.95 3.52 -0.12 4.23 0.08 -1.26 -2.44 117.98 123.94 2kcd s PHE 91 Ca 0.10 1.28 0.08 0.00 0.12 0.00 0.00 56.93 58.51 2kcd s PHE 91 Cb -0.17 -2.91 -0.13 0.00 -0.57 0.00 0.00 43.02 39.24 2kcd s PHE 91 CO 0.12 -0.05 -0.01 -0.11 -0.10 0.00 0.00 175.22 175.07 2kcd n LEU 92 N 4.36 0.82 -3.66 -0.37 7.94 -1.21 -4.97 117.00 119.91 2kcd n LEU 92 Ca 0.02 -0.02 -0.10 0.00 -1.11 0.00 0.00 56.01 54.79 2kcd n LEU 92 Cb 0.50 0.06 -0.11 0.00 0.53 0.00 0.00 43.42 44.41 2kcd n LEU 92 CO 0.48 0.41 -0.04 -0.47 -1.11 0.00 0.00 177.39 176.66 2kcd s TYR 93 N -2.28 -0.65 -0.10 1.96 5.04 -1.26 -4.67 117.35 115.39 2kcd s TYR 93 Ca -0.10 1.31 0.03 0.00 -2.44 0.00 0.00 57.07 55.87 2kcd s TYR 93 Cb 0.04 0.17 0.01 0.00 0.35 0.00 0.00 41.96 42.52 2kcd s TYR 93 CO 0.43 -0.43 -0.21 -1.17 -1.34 0.00 0.00 175.55 172.83 2kcd s LEU 94 N 2.53 1.99 -0.05 6.97 2.96 -1.24 -1.61 118.68 130.23 2kcd s LEU 94 Ca -0.01 -0.51 -0.02 0.00 -0.22 0.00 0.00 54.13 53.37 2kcd s LEU 94 Cb -0.12 -1.29 0.03 0.00 0.50 0.00 0.00 46.19 45.31 2kcd s LEU 94 CO -0.11 0.11 0.09 -2.28 -1.32 0.00 0.00 176.35 172.84 2kcd s HIS 95 N 0.54 -0.05 0.74 5.38 5.65 -0.91 -3.25 115.29 123.38 2kcd s HIS 95 Ca -0.15 0.32 -0.03 0.00 0.25 0.00 0.00 55.06 55.45 2kcd s HIS 95 Cb -0.17 -0.23 0.15 0.00 -1.18 0.00 0.00 32.58 31.16 2kcd s HIS 95 CO 0.05 -0.15 1.02 -1.71 -0.65 0.00 0.00 174.74 173.30 2kcd n ASN 96 N 4.49 1.08 0.12 9.88 5.15 -1.25 -4.40 115.26 130.32 2kcd n ASN 96 Ca -0.21 -1.98 0.02 0.00 -0.60 0.00 0.00 54.58 51.81 2kcd n ASN 96 Cb 0.50 -0.68 0.39 0.00 -0.53 0.00 0.00 39.78 39.46 2kcd n ASN 96 CO 0.00 0.00 0.00 0.71 1.40 0.00 0.00 177.26 179.37 2kcd h THR 97 N -0.80 1.18 0.00 -0.44 1.35 -1.99 -3.37 112.91 108.84 2kcd h THR 97 Ca -0.33 -0.79 -0.13 0.00 -0.55 0.00 0.00 66.41 64.60 2kcd h THR 97 Cb 1.17 1.21 -0.12 0.00 -1.73 0.00 0.00 68.15 68.68 2kcd h THR 97 CO 0.33 0.25 -0.23 0.55 -0.25 0.00 0.00 175.52 176.17 2kcd n VAL 98 N -4.27 0.00 -2.74 6.82 3.14 -1.26 -5.03 118.33 114.98 2kcd n VAL 98 Ca -0.01 -0.61 -0.05 0.00 -2.96 0.00 0.00 64.34 60.72 2kcd n VAL 98 Cb 0.27 0.78 0.02 0.00 -1.06 0.00 0.00 33.84 33.85 2kcd n VAL 98 CO 0.00 0.00 0.00 0.80 -6.46 0.00 0.00 176.83 171.17 2kcd n MET 99 N -0.95 0.50 -1.82 1.45 0.00 -1.26 -5.15 117.12 109.89 2kcd n MET 99 Ca -0.17 -1.74 -0.39 0.00 -0.00 0.00 0.00 57.70 55.40 2kcd n MET 99 Cb 0.77 -1.17 0.03 0.00 0.00 0.00 0.00 33.22 32.84 2kcd n MET 99 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 175.97 173.83 2kcd s PRO 100 N 0.83 3.46 0.00 2.12 0.02 -1.26 -3.96 135.00 136.21 2kcd s PRO 100 Ca 0.29 2.31 0.00 0.00 0.02 0.00 0.00 61.00 63.62 2kcd s PRO 100 Cb 0.07 -2.48 0.00 0.00 0.02 0.00 0.00 34.50 32.11 2kcd s PRO 100 CO -0.09 -0.95 0.00 1.28 -0.33 0.00 0.00 177.00 176.90 2kcd n LEU 101 N -0.55 0.00 -1.75 -5.54 4.77 -1.26 -4.81 117.00 107.85 2kcd n LEU 101 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.92 2kcd n LEU 101 Cb 0.43 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.57 2kcd n LEU 101 CO 0.56 -0.08 1.08 -0.11 -1.33 0.00 0.00 177.39 177.51 2kcd n LEU 102 N -1.23 5.80 -4.50 2.23 0.00 -1.26 -4.84 117.00 113.21 2kcd n LEU 102 Ca 0.00 -2.96 -0.42 0.00 0.00 0.00 0.00 56.01 52.63 2kcd n LEU 102 Cb 0.00 -0.93 -0.03 0.00 0.00 0.00 0.00 43.42 42.46 2kcd n LEU 102 CO 0.00 1.05 1.03 -0.62 0.00 0.00 0.00 177.39 178.85 2kcd s ASP 103 N 0.21 6.28 -0.21 1.96 -1.08 -1.20 -3.64 116.67 119.00 2kcd s ASP 103 Ca 0.27 -1.03 0.02 0.00 -0.52 0.00 0.00 52.55 51.29 2kcd s ASP 103 Cb 0.22 -2.48 0.04 0.00 -1.46 0.00 0.00 42.92 39.23 2kcd s ASP 103 CO 0.01 -1.53 -0.15 -1.10 0.52 0.00 0.00 175.17 172.93 2kcd s GLN 104 N 4.56 2.49 0.26 4.34 -0.21 -1.26 -4.99 119.66 124.85 2kcd s GLN 104 Ca 0.31 -1.00 -0.00 0.00 0.02 0.00 0.00 55.36 54.70 2kcd s GLN 104 Cb -0.10 -2.62 0.33 0.00 1.00 0.00 0.00 33.01 31.62 2kcd s GLN 104 CO 0.06 -0.38 1.70 0.00 -2.12 0.00 0.00 175.29 174.55 2kcd h ARG 105 N 7.90 0.61 -0.39 2.91 3.08 -1.97 -2.70 114.38 123.82 2kcd h ARG 105 Ca -0.32 -0.22 0.01 0.00 0.07 0.00 0.00 59.98 59.51 2kcd h ARG 105 Cb 1.10 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 31.09 2kcd h ARG 105 CO 0.54 0.78 0.25 1.88 -1.07 0.00 0.00 179.97 182.35 2kcd h TYR 106 N 0.54 0.47 -0.47 3.04 0.05 -1.94 0.52 116.97 119.19 2kcd h TYR 106 Ca 0.08 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.84 2kcd h TYR 106 Cb 0.66 -0.16 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 2kcd h TYR 106 CO 0.03 0.29 0.15 1.25 -1.05 0.00 0.00 178.16 178.83 2kcd h LEU 107 N 0.51 0.69 0.08 3.88 5.85 -1.92 0.17 115.31 124.58 2kcd h LEU 107 Ca 0.14 -0.21 -0.00 0.00 0.84 0.00 0.00 57.88 58.65 2kcd h LEU 107 Cb -0.05 -0.18 0.00 0.00 0.37 0.00 0.00 40.66 40.80 2kcd h LEU 107 CO -0.04 0.71 -0.04 0.25 -0.34 0.00 0.00 178.44 178.98 2kcd h LEU 108 N 0.63 -0.10 -1.43 2.25 7.12 -1.13 -3.23 115.31 119.42 2kcd h LEU 108 Ca 0.15 0.00 0.00 0.00 0.13 0.00 0.00 57.88 58.17 2kcd h LEU 108 Cb 0.27 0.02 0.00 0.00 -0.53 0.00 0.00 40.66 40.42 2kcd h LEU 108 CO -0.00 0.01 0.00 0.41 -0.13 0.00 0.00 178.44 178.73 2kcd n THR 109 N -2.74 0.39 -1.77 1.05 -1.04 0.18 -4.89 114.28 105.46 2kcd n THR 109 Ca -0.01 0.00 -0.36 0.00 -2.04 0.00 0.00 64.05 61.63 2kcd n THR 109 Cb 0.04 -0.66 0.06 0.00 -1.82 0.00 0.00 70.33 67.96 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 0.37 2.74 0.00 3.41 0.00 0.61 -4.60 107.32 109.85 2kcd s GLY 110 Ca 0.00 1.10 0.00 0.00 0.00 0.00 0.00 44.72 45.82 2kcd s GLY 110 CO 0.00 1.52 0.00 0.61 0.00 0.00 0.00 173.10 175.23 2kcd n GLY 111 N 0.70 -1.37 3.51 0.20 0.00 -1.26 -4.85 105.19 102.12 2kcd n GLY 111 Ca 0.15 -0.37 -0.28 0.00 0.00 0.00 0.00 46.02 45.53 2kcd n GLY 111 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kcd n GLN 112 N -0.12 0.98 -0.22 1.61 6.02 -1.26 -4.66 117.38 119.73 2kcd n GLN 112 Ca 0.00 -2.02 -0.08 0.00 -0.01 0.00 0.00 57.00 54.89 2kcd n GLN 112 Cb 0.00 -3.57 0.03 0.00 1.02 0.00 0.00 30.24 27.71 2kcd n GLN 112 CO 0.00 0.00 0.00 1.25 -1.01 0.00 0.00 177.06 177.30 2kcd h LEU 113 N 18.75 0.88 -3.13 1.08 5.85 -1.93 -3.48 115.31 133.34 2kcd h LEU 113 Ca 0.18 -0.21 -0.03 0.00 0.84 0.00 0.00 57.88 58.67 2kcd h LEU 113 Cb 0.90 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.70 2kcd h LEU 113 CO 1.34 0.86 -1.01 -0.62 -0.34 0.00 0.00 178.44 178.66 2kcd n GLU 114 N -4.39 -1.05 -3.63 1.25 1.02 -1.26 -4.91 120.64 107.67 2kcd n GLU 114 Ca 0.03 1.23 -0.40 0.00 -0.02 0.00 0.00 57.16 58.01 2kcd n GLU 114 Cb 0.21 -1.99 -0.11 0.00 -0.02 0.00 0.00 31.44 29.53 2kcd n GLU 114 CO 0.00 0.00 0.00 -1.58 1.18 0.00 0.00 177.13 176.73 2kcd s HIS 115 N -1.19 3.27 -0.30 -0.32 2.46 -1.26 -5.02 115.29 112.93 2kcd s HIS 115 Ca 0.04 -1.23 -0.13 0.00 0.47 0.00 0.00 55.06 54.20 2kcd s HIS 115 Cb -0.00 -2.57 0.16 0.00 -0.13 0.00 0.00 32.58 30.04 2kcd s HIS 115 CO 0.23 -0.73 0.94 -1.58 -2.47 0.00 0.00 174.74 171.13 2kcd s HIS 116 N 1.48 -0.78 0.00 3.88 5.04 -1.26 -5.02 115.29 118.63 2kcd s HIS 116 Ca 0.01 1.25 0.00 0.00 -1.54 0.00 0.00 55.06 54.78 2kcd s HIS 116 Cb -0.20 0.43 0.00 0.00 0.04 0.00 0.00 32.58 32.85 2kcd s HIS 116 CO 0.05 -0.40 0.00 -2.39 -2.34 0.00 0.00 174.74 169.66 2kcd n HIS 117 N 5.11 0.00 -2.31 3.88 1.44 -1.26 -5.13 115.22 116.96 2kcd n HIS 117 Ca -0.09 0.00 -0.37 0.00 -2.01 0.00 0.00 57.72 55.25 2kcd n HIS 117 Cb 0.52 0.00 -0.02 0.00 0.12 0.00 0.00 29.99 30.62 2kcd n HIS 117 CO 0.00 0.00 0.00 -3.38 -2.81 0.00 0.00 176.34 170.15 2kcd s HIS 118 N -0.90 2.96 -0.11 -1.40 -3.43 -1.26 -5.04 115.29 106.10 2kcd s HIS 118 Ca 0.00 1.55 -0.06 0.00 -0.80 0.00 0.00 55.06 55.75 2kcd s HIS 118 Cb 0.00 -3.34 0.04 0.00 -1.43 0.00 0.00 32.58 27.85 2kcd s HIS 118 CO 0.00 -1.35 0.26 -3.38 -2.00 0.00 0.00 174.74 168.28 2kcd s HIS 119 N -1.55 -0.35 -2.02 0.38 -3.43 -1.26 -5.28 115.29 101.79 2kcd s HIS 119 Ca 0.62 0.82 0.32 0.00 -0.80 0.00 0.00 55.06 56.02 2kcd s HIS 119 Cb -0.28 0.08 1.88 0.00 -1.43 0.00 0.00 32.58 32.83 2kcd s HIS 119 CO 0.34 -0.23 2.21 -2.39 -2.00 0.00 0.00 174.74 172.68