#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 -0.26 1.12 -2.24 -1.26 -4.33 114.28 107.31 2kcd n THR 2 Ca 0.00 -0.49 -0.07 0.00 -2.27 0.00 0.00 64.05 61.22 2kcd n THR 2 Cb 0.00 1.46 0.05 0.00 -2.10 0.00 0.00 70.33 69.74 2kcd n THR 2 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2kcd h LEU 3 N 4.31 1.05 0.08 3.22 3.38 -2.04 -0.67 115.31 124.64 2kcd h LEU 3 Ca 0.00 -0.21 -0.00 0.00 0.09 0.00 0.00 57.88 57.76 2kcd h LEU 3 Cb 0.93 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.40 2kcd h LEU 3 CO 0.00 0.98 -0.04 -0.08 0.09 0.00 0.00 178.44 179.39 2kcd h GLU 4 N 1.07 -0.11 -0.49 1.13 4.57 -1.99 0.41 114.58 119.17 2kcd h GLU 4 Ca 0.23 0.01 -0.05 0.00 -1.18 0.00 0.00 59.36 58.37 2kcd h GLU 4 Cb 0.31 0.02 -0.02 0.00 -0.16 0.00 0.00 28.75 28.90 2kcd h GLU 4 CO -0.01 -0.06 0.10 -0.07 -1.18 0.00 0.00 179.01 177.79 2kcd h LEU 5 N -0.13 0.76 -0.96 1.64 4.07 -1.79 -2.12 115.31 116.78 2kcd h LEU 5 Ca -0.01 -0.25 -0.09 0.00 0.08 0.00 0.00 57.88 57.61 2kcd h LEU 5 Cb 0.10 -0.20 -0.02 0.00 1.08 0.00 0.00 40.66 41.62 2kcd h LEU 5 CO 0.02 0.81 -0.17 1.56 -1.08 0.00 0.00 178.44 179.58 2kcd h GLN 6 N 0.67 0.57 -0.39 1.13 1.08 -0.94 -1.30 115.11 115.92 2kcd h GLN 6 Ca 0.15 -0.19 -0.02 0.00 -1.45 0.00 0.00 58.65 57.14 2kcd h GLN 6 Cb 0.37 -0.05 -0.02 0.00 -0.05 0.00 0.00 27.48 27.73 2kcd h GLN 6 CO 0.01 0.71 0.18 1.25 -0.95 0.00 0.00 178.83 180.03 2kcd h LEU 7 N 0.51 0.53 -0.42 1.46 5.85 0.13 0.38 115.31 123.75 2kcd h LEU 7 Ca 0.09 -0.14 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 2kcd h LEU 7 Cb 0.59 -0.14 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 2kcd h LEU 7 CO 0.04 0.52 -0.04 0.11 -0.34 0.00 0.00 178.44 178.74 2kcd h LYS 8 N 0.50 0.76 -0.35 1.25 1.57 -1.14 -1.20 116.57 117.95 2kcd h LYS 8 Ca 0.13 -0.26 -0.08 0.00 -1.87 0.00 0.00 60.65 58.58 2kcd h LYS 8 Cb 0.14 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 2kcd h LYS 8 CO -0.01 0.86 -0.08 0.45 -0.57 0.00 0.00 179.45 180.10 2kcd h HIS 9 N 0.59 0.75 -0.03 -1.35 3.86 -1.02 0.44 115.15 118.39 2kcd h HIS 9 Ca 0.11 -0.16 -0.00 0.00 -1.16 0.00 0.00 60.37 59.16 2kcd h HIS 9 Cb 0.54 -0.18 -0.00 0.00 1.06 0.00 0.00 27.41 28.82 2kcd h HIS 9 CO 0.04 0.82 0.01 -0.92 0.86 0.00 0.00 177.93 178.75 2kcd h TYR 10 N 0.46 0.04 -0.44 2.45 3.20 -0.17 0.70 116.97 123.20 2kcd h TYR 10 Ca 0.09 -0.00 -0.05 0.00 3.14 0.00 0.00 58.73 61.90 2kcd h TYR 10 Cb 0.57 -0.01 -0.02 0.00 1.54 0.00 0.00 36.73 38.82 2kcd h TYR 10 CO 0.05 0.16 0.07 0.82 -1.64 0.00 0.00 178.16 177.62 2kcd h ILE 11 N -0.10 1.24 -0.11 1.81 1.08 -1.20 -2.79 117.51 117.44 2kcd h ILE 11 Ca 0.01 -0.89 -0.09 0.00 -0.39 0.00 0.00 64.86 63.50 2kcd h ILE 11 Cb 0.14 0.97 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 2kcd h ILE 11 CO -0.00 0.31 -0.32 0.71 -0.69 0.00 0.00 178.15 178.16 2kcd h THR 12 N 0.59 1.26 -0.08 -0.27 1.35 -0.82 -2.42 112.91 112.53 2kcd h THR 12 Ca 0.13 -1.26 -0.01 0.00 -0.55 0.00 0.00 66.41 64.72 2kcd h THR 12 Cb 0.38 1.53 -0.00 0.00 -1.73 0.00 0.00 68.15 68.33 2kcd h THR 12 CO 0.01 0.38 0.02 -1.13 -0.25 0.00 0.00 175.52 174.55 2kcd h ASN 13 N 0.19 0.12 -0.51 5.36 -1.24 -0.62 1.97 115.58 120.85 2kcd h ASN 13 Ca 0.03 -0.22 -0.08 0.00 0.71 0.00 0.00 56.30 56.73 2kcd h ASN 13 Cb 0.66 -0.03 -0.02 0.00 0.73 0.00 0.00 38.32 39.66 2kcd h ASN 13 CO 0.05 0.31 0.02 -0.07 -1.29 0.00 0.00 177.43 176.46 2kcd h LEU 14 N -0.08 0.87 -1.09 0.34 -0.00 -1.42 -2.88 115.31 111.05 2kcd h LEU 14 Ca 0.03 -0.29 0.00 0.00 -0.00 0.00 0.00 57.88 57.61 2kcd h LEU 14 Cb 0.24 -0.23 0.00 0.00 -0.00 0.00 0.00 40.66 40.67 2kcd h LEU 14 CO 0.00 0.95 -0.16 0.49 -0.00 0.00 0.00 178.44 179.72 2kcd n PHE 15 N -4.33 0.00 -3.59 1.13 3.72 -0.92 -4.94 117.46 108.53 2kcd n PHE 15 Ca 0.01 0.00 -0.26 0.00 -0.05 0.00 0.00 57.45 57.15 2kcd n PHE 15 Cb 0.30 -0.03 0.04 0.00 -0.94 0.00 0.00 39.48 38.85 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 0.21 -5.38 -4.82 4.37 5.03 0.65 -4.95 115.26 110.38 2kcd n ASN 16 Ca 0.14 -0.57 -0.34 0.00 0.87 0.00 0.00 54.58 54.68 2kcd n ASN 16 Cb 0.43 -4.30 -0.07 0.00 -1.02 0.00 0.00 39.78 34.83 2kcd n ASN 16 CO 0.00 0.00 0.00 -0.76 -1.83 0.00 0.00 177.26 174.67 2kcd s LEU 17 N -7.09 4.03 0.21 3.41 1.43 -0.21 -4.99 118.68 115.48 2kcd s LEU 17 Ca 0.55 1.62 -0.31 0.00 -1.03 0.00 0.00 54.13 54.96 2kcd s LEU 17 Cb -0.26 -4.34 -0.10 0.00 0.03 0.00 0.00 46.19 41.51 2kcd s LEU 17 CO 0.68 -0.28 1.55 -2.16 0.23 0.00 0.00 176.35 176.37 2kcd s PRO 18 N -2.94 4.21 0.08 1.29 0.04 -1.26 -4.78 135.00 131.63 2kcd s PRO 18 Ca 0.58 2.39 0.24 0.00 0.04 0.00 0.00 61.00 64.25 2kcd s PRO 18 Cb -0.11 -3.12 0.24 0.00 0.04 0.00 0.00 34.50 31.56 2kcd s PRO 18 CO 0.16 -0.57 1.21 0.54 0.04 0.00 0.00 177.00 178.38 2kcd n ARG 19 N 3.25 0.25 -0.01 4.56 1.74 -1.26 -3.74 116.66 121.45 2kcd n ARG 19 Ca 0.11 0.04 0.13 0.00 -0.77 0.00 0.00 57.85 57.36 2kcd n ARG 19 Cb 0.39 -1.62 0.63 0.00 -1.02 0.00 0.00 32.46 30.83 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 -1.97 0.83 -4.58 0.55 5.75 -1.26 -4.75 116.55 111.12 2kcd n ASP 20 Ca 0.03 -1.37 -0.39 0.00 -0.01 0.00 0.00 54.79 53.05 2kcd n ASP 20 Cb 0.42 -0.02 -0.11 0.00 -1.03 0.00 0.00 41.12 40.39 2kcd n ASP 20 CO 0.00 0.00 0.00 -0.70 -0.11 0.00 0.00 177.20 176.39 2kcd s GLU 21 N -1.96 3.84 0.25 0.11 2.12 -1.25 -5.07 118.70 116.75 2kcd s GLU 21 Ca 0.38 -0.39 -0.30 0.00 0.36 0.00 0.00 54.97 55.03 2kcd s GLU 21 Cb 0.19 -3.70 -0.09 0.00 0.26 0.00 0.00 34.13 30.80 2kcd s GLU 21 CO 0.31 -0.25 0.97 0.21 -0.54 0.00 0.00 175.26 175.96 2kcd s LYS 22 N 1.76 4.82 0.29 4.30 2.20 -1.26 -5.04 119.74 126.81 2kcd s LYS 22 Ca 0.07 1.54 0.06 0.00 -0.36 0.00 0.00 55.97 57.28 2kcd s LYS 22 Cb -0.16 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.87 2kcd s LYS 22 CO 0.11 0.47 0.32 -1.58 -0.36 0.00 0.00 175.35 174.31 2kcd s TRP 23 N -1.18 3.16 -0.27 4.03 0.51 -1.26 -4.94 118.94 118.98 2kcd s TRP 23 Ca 0.42 -0.15 -0.06 0.00 -2.12 0.00 0.00 56.10 54.18 2kcd s TRP 23 Cb -0.27 -1.67 -0.00 0.00 -0.81 0.00 0.00 33.47 30.72 2kcd s TRP 23 CO 0.33 0.31 0.06 -2.00 -0.51 0.00 0.00 176.95 175.14 2kcd s GLU 24 N -3.99 3.24 -0.08 4.98 2.12 -1.10 -4.96 118.70 118.91 2kcd s GLU 24 Ca 0.38 -0.75 -0.05 0.00 0.36 0.00 0.00 54.97 54.90 2kcd s GLU 24 Cb -0.08 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 2kcd s GLU 24 CO 0.28 -0.36 0.15 0.00 -0.54 0.00 0.00 175.26 174.79 2kcd s GLU 26 N -1.36 3.72 -0.26 0.00 -1.05 -0.58 -4.97 118.70 114.20 2kcd s GLU 26 Ca 0.19 -0.49 -0.12 0.00 -0.15 0.00 0.00 54.97 54.41 2kcd s GLU 26 Cb -0.12 -2.97 -0.05 0.00 -0.44 0.00 0.00 34.13 30.55 2kcd s GLU 26 CO 0.09 0.24 0.23 0.45 0.95 0.00 0.00 175.26 177.22 2kcd s SER 27 N 0.39 6.11 0.02 0.83 0.15 -1.26 -2.84 113.70 117.09 2kcd s SER 27 Ca -0.03 0.10 -0.03 0.00 0.70 0.00 0.00 55.95 56.69 2kcd s SER 27 Cb -0.14 -2.14 -0.01 0.00 -1.71 0.00 0.00 66.02 62.02 2kcd s SER 27 CO 0.02 -0.05 0.04 0.27 1.20 0.00 0.00 173.24 174.73 2kcd s ILE 28 N 1.62 0.11 -0.27 6.45 -4.36 -1.10 -5.05 121.20 118.60 2kcd s ILE 28 Ca 0.09 -0.87 -0.11 0.00 -0.26 0.00 0.00 60.65 59.50 2kcd s ILE 28 Cb -0.15 -0.41 -0.05 0.00 1.25 0.00 0.00 42.46 43.10 2kcd s ILE 28 CO 0.09 -0.48 0.19 -0.70 0.24 0.00 0.00 174.94 174.28 2kcd s GLU 29 N -1.60 4.00 0.05 0.37 2.12 -1.26 -1.34 118.70 121.03 2kcd s GLU 29 Ca -0.14 -0.29 -0.01 0.00 0.36 0.00 0.00 54.97 54.90 2kcd s GLU 29 Cb -0.08 -3.62 -0.04 0.00 0.26 0.00 0.00 34.13 30.65 2kcd s GLU 29 CO -0.01 -0.10 -0.03 -1.21 -0.54 0.00 0.00 175.26 173.37 2kcd s GLU 30 N 1.53 0.62 0.15 4.30 0.41 -1.11 -4.95 118.70 119.65 2kcd s GLU 30 Ca 0.08 -1.21 -0.30 0.00 -0.41 0.00 0.00 54.97 53.13 2kcd s GLU 30 Cb -0.15 0.17 -0.07 0.00 -1.78 0.00 0.00 34.13 32.30 2kcd s GLU 30 CO 0.09 -0.10 0.99 0.08 -0.49 0.00 0.00 175.26 175.83 2kcd s VAL 31 N -3.80 4.26 0.42 2.63 1.01 -1.26 -2.13 120.40 121.52 2kcd s VAL 31 Ca 0.07 1.95 0.12 0.00 0.00 0.00 0.00 61.98 64.12 2kcd s VAL 31 Cb 0.07 -4.25 0.32 0.00 0.00 0.00 0.00 36.38 32.53 2kcd s VAL 31 CO -0.09 0.34 1.97 0.00 0.00 0.00 0.00 175.10 177.31 2kcd h ALA 32 N 5.22 1.95 0.00 5.51 0.00 -1.08 0.26 119.26 131.12 2kcd h ALA 32 Ca -0.44 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.46 2kcd h ALA 32 Cb 1.21 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.89 2kcd h ALA 32 CO 0.71 -0.09 0.00 -0.40 0.00 0.00 0.00 179.25 179.48 2kcd n ASP 33 N -4.48 0.00 -0.98 0.00 5.75 -1.26 0.04 116.55 115.63 2kcd n ASP 33 Ca 0.10 -0.01 0.09 0.00 -0.01 0.00 0.00 54.79 54.96 2kcd n ASP 33 Cb 0.35 -0.27 0.21 0.00 -1.03 0.00 0.00 41.12 40.38 2kcd n ASP 33 CO 0.00 0.00 0.00 -0.67 -0.11 0.00 0.00 177.20 176.42 2kcd n ASP 34 N -1.27 3.29 0.00 -1.12 -0.08 0.91 -4.59 116.55 113.70 2kcd n ASP 34 Ca 0.09 -1.95 0.00 0.00 -1.51 0.00 0.00 54.79 51.43 2kcd n ASP 34 Cb 0.15 -0.29 0.00 0.00 2.34 0.00 0.00 41.12 43.31 2kcd n ASP 34 CO 0.00 0.00 0.00 2.30 0.12 0.00 0.00 177.20 179.62 2kcd n ILE 35 N 1.13 0.00 -3.71 5.18 -5.35 -0.93 -4.95 119.36 110.72 2kcd n ILE 35 Ca 0.17 0.00 -0.36 0.00 -0.27 0.00 0.00 62.75 62.29 2kcd n ILE 35 Cb 0.52 0.00 -0.09 0.00 -1.74 0.00 0.00 39.64 38.33 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 -1.28 4.09 0.49 7.28 1.43 0.11 -5.06 118.68 125.74 2kcd s LEU 36 Ca 0.00 0.13 -0.21 0.00 -1.03 0.00 0.00 54.13 53.03 2kcd s LEU 36 Cb 0.00 -2.08 -0.10 0.00 0.03 0.00 0.00 46.19 44.04 2kcd s LEU 36 CO 0.00 0.10 0.62 -2.65 0.23 0.00 0.00 176.35 174.65 2kcd n PRO 37 N 4.02 0.67 0.00 1.29 -0.02 -1.26 -4.59 135.00 135.12 2kcd n PRO 37 Ca -0.15 0.25 0.00 0.00 -2.02 0.00 0.00 63.50 61.58 2kcd n PRO 37 Cb 0.52 -1.70 0.00 0.00 -0.02 0.00 0.00 33.50 32.30 2kcd n PRO 37 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 2kcd n ASP 38 N 0.74 0.00 -0.20 2.55 5.68 -1.26 -1.07 116.55 122.99 2kcd n ASP 38 Ca 0.11 0.27 -0.06 0.00 -0.50 0.00 0.00 54.79 54.62 2kcd n ASP 38 Cb 0.43 -0.27 0.11 0.00 -1.14 0.00 0.00 41.12 40.24 2kcd n ASP 38 CO 0.00 0.00 0.00 -0.61 -1.33 0.00 0.00 177.20 175.26 2kcd h GLN 39 N 0.00 1.00 -2.19 0.11 4.15 -2.03 -3.29 115.11 112.85 2kcd h GLN 39 Ca 0.00 -0.24 -0.56 0.00 0.77 0.00 0.00 58.65 58.62 2kcd h GLN 39 Cb 0.15 -0.13 -0.41 0.00 0.21 0.00 0.00 27.48 27.29 2kcd h GLN 39 CO 0.00 0.90 -0.80 0.98 -1.93 0.00 0.00 178.83 177.99 2kcd n TYR 40 N -4.24 2.86 0.00 3.99 9.36 -0.23 -4.75 117.16 124.15 2kcd n TYR 40 Ca 0.04 -3.95 0.00 0.00 3.32 0.00 0.00 57.90 57.31 2kcd n TYR 40 Cb 0.26 -0.47 0.00 0.00 -0.63 0.00 0.00 39.34 38.50 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 0.07 0.00 0.84 2.97 0.31 -1.24 -4.84 118.33 116.43 2kcd n VAL 41 Ca 0.29 0.00 0.13 0.00 -0.01 0.00 0.00 64.34 64.75 2kcd n VAL 41 Cb 0.47 0.00 0.53 0.00 -0.91 0.00 0.00 33.84 33.93 2kcd n VAL 41 CO 0.00 0.00 0.00 0.54 -1.32 0.00 0.00 176.83 176.05 2kcd n ARG 42 N -1.45 0.08 0.00 5.55 1.74 -1.25 -1.15 116.66 120.18 2kcd n ARG 42 Ca 0.00 0.09 0.00 0.00 -0.77 0.00 0.00 57.85 57.17 2kcd n ARG 42 Cb 0.00 -1.59 0.00 0.00 -1.02 0.00 0.00 32.46 29.85 2kcd n ARG 42 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 2kcd n LEU 43 N -1.73 0.00 0.00 0.55 7.99 -1.26 -4.88 117.00 117.67 2kcd n LEU 43 Ca 0.06 0.00 0.00 0.00 -0.01 0.00 0.00 56.01 56.06 2kcd n LEU 43 Cb 0.34 0.00 0.00 0.00 -0.11 0.00 0.00 43.42 43.65 2kcd n LEU 43 CO 0.26 0.00 0.00 0.61 -1.51 0.00 0.00 177.39 176.75 2kcd n GLY 44 N 0.00 -0.65 0.00 -0.72 0.00 -1.26 -4.82 105.19 97.73 2kcd n GLY 44 Ca 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 46.02 44.34 2kcd n GLY 44 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2kcd n PRO 45 N -0.35 0.00 0.00 1.61 -0.02 -1.26 -2.24 135.00 132.74 2kcd n PRO 45 Ca 0.00 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.77 2kcd n PRO 45 Cb 0.00 -1.59 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 2kcd n PRO 45 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 46 N -1.26 0.00 -4.69 2.45 7.99 -1.26 -4.37 117.00 115.86 2kcd n LEU 46 Ca 0.00 0.31 -0.42 0.00 -0.01 0.00 0.00 56.01 55.89 2kcd n LEU 46 Cb 0.09 -0.31 -0.03 0.00 -0.11 0.00 0.00 43.42 43.06 2kcd n LEU 46 CO 0.00 -0.31 1.13 -0.44 -1.51 0.00 0.00 177.39 176.26 2kcd s SER 47 N -2.58 6.85 -1.44 -1.43 0.01 -0.30 -3.15 113.70 111.66 2kcd s SER 47 Ca 0.00 2.10 -0.08 0.00 1.31 0.00 0.00 55.95 59.27 2kcd s SER 47 Cb 0.00 -2.56 0.04 0.00 0.21 0.00 0.00 66.02 63.72 2kcd s SER 47 CO 0.00 -0.73 0.66 -3.20 0.41 0.00 0.00 173.24 170.38 2kcd n ASN 48 N 5.53 -5.03 -4.85 2.44 4.05 -1.26 -4.95 115.26 111.18 2kcd n ASN 48 Ca 0.13 -0.42 -0.37 0.00 0.45 0.00 0.00 54.58 54.38 2kcd n ASN 48 Cb 0.44 -4.08 -0.06 0.00 1.23 0.00 0.00 39.78 37.31 2kcd n ASN 48 CO 0.00 0.00 0.00 -0.54 -3.05 0.00 0.00 177.26 173.67 2kcd s LYS 49 N -6.00 3.82 -0.46 1.20 -0.14 -1.19 -4.92 119.74 112.05 2kcd s LYS 49 Ca 0.42 0.28 -0.19 0.00 -1.36 0.00 0.00 55.97 55.12 2kcd s LYS 49 Cb -0.20 -3.16 0.04 0.00 -1.68 0.00 0.00 37.83 32.83 2kcd s LYS 49 CO 0.51 0.67 0.55 0.42 -0.76 0.00 0.00 175.35 176.74 2kcd s ILE 50 N -1.16 4.96 0.11 2.17 1.09 -1.26 -0.44 121.20 126.67 2kcd s ILE 50 Ca 0.25 -0.32 0.08 0.00 -1.10 0.00 0.00 60.65 59.56 2kcd s ILE 50 Cb -0.15 -4.17 -0.04 0.00 -1.06 0.00 0.00 42.46 37.03 2kcd s ILE 50 CO 0.14 -0.61 -0.13 -0.76 -0.10 0.00 0.00 174.94 173.48 2kcd s LEU 51 N 2.45 2.92 -0.57 2.97 1.43 -0.91 -4.96 118.68 122.01 2kcd s LEU 51 Ca 0.15 -0.46 -0.28 0.00 -1.03 0.00 0.00 54.13 52.51 2kcd s LEU 51 Cb -0.17 -1.72 0.02 0.00 0.03 0.00 0.00 46.19 44.34 2kcd s LEU 51 CO 0.14 0.17 1.29 -1.58 0.23 0.00 0.00 176.35 176.61 2kcd s GLN 52 N -2.22 3.41 -0.07 1.70 0.74 -1.09 -2.73 119.66 119.41 2kcd s GLN 52 Ca 0.20 0.33 -0.28 0.00 0.05 0.00 0.00 55.36 55.66 2kcd s GLN 52 Cb -0.11 -4.07 -0.02 0.00 1.10 0.00 0.00 33.01 29.91 2kcd s GLN 52 CO 0.13 -1.81 0.94 0.99 -0.55 0.00 0.00 175.29 174.99 2kcd s THR 53 N 5.46 4.86 -0.30 -0.34 2.01 -0.45 -2.43 115.64 124.45 2kcd s THR 53 Ca 0.47 1.93 -0.02 0.00 0.31 0.00 0.00 61.69 64.38 2kcd s THR 53 Cb -0.09 -4.26 0.05 0.00 0.01 0.00 0.00 72.50 68.21 2kcd s THR 53 CO 0.25 0.10 0.00 0.20 -0.69 0.00 0.00 174.62 174.48 2kcd s ASN 54 N 1.03 4.89 -0.20 3.53 -0.87 -0.84 -2.69 114.94 119.79 2kcd s ASN 54 Ca 0.47 -1.30 -0.10 0.00 -1.57 0.00 0.00 52.86 50.37 2kcd s ASN 54 Cb -0.19 -1.71 -0.05 0.00 -0.02 0.00 0.00 41.25 39.28 2kcd s ASN 54 CO 0.21 -0.27 0.13 -0.89 -2.57 0.00 0.00 177.10 173.72 2kcd s THR 55 N 1.24 5.40 -0.16 1.60 2.01 -1.13 -2.72 115.64 121.88 2kcd s THR 55 Ca -0.05 0.19 -0.07 0.00 0.31 0.00 0.00 61.69 62.07 2kcd s THR 55 Cb -0.20 -3.46 -0.04 0.00 0.01 0.00 0.00 72.50 68.81 2kcd s THR 55 CO -0.01 0.45 0.06 -0.31 -0.69 0.00 0.00 174.62 174.12 2kcd s TYR 56 N 0.29 3.27 -0.04 4.92 1.51 -1.08 -1.53 117.35 124.69 2kcd s TYR 56 Ca 0.08 0.13 -0.01 0.00 -1.01 0.00 0.00 57.07 56.26 2kcd s TYR 56 Cb -0.11 -2.02 0.03 0.00 -0.11 0.00 0.00 41.96 39.75 2kcd s TYR 56 CO -0.02 0.25 0.08 1.52 -1.11 0.00 0.00 175.55 176.28 2kcd s TYR 57 N 0.06 -0.05 0.35 2.71 1.13 -0.94 -3.92 117.35 116.69 2kcd s TYR 57 Ca 0.05 0.30 0.07 0.00 -1.41 0.00 0.00 57.07 56.09 2kcd s TYR 57 Cb -0.12 -0.21 -0.03 0.00 -1.10 0.00 0.00 41.96 40.51 2kcd s TYR 57 CO 0.01 -0.14 0.25 0.45 -2.51 0.00 0.00 175.55 173.61 2kcd n SER 58 N 4.37 -0.25 0.18 -0.18 2.88 -1.26 -2.71 113.62 116.65 2kcd n SER 58 Ca -0.24 -3.19 -0.14 0.00 -1.33 0.00 0.00 58.87 53.96 2kcd n SER 58 Cb 0.51 1.53 -0.08 0.00 -0.75 0.00 0.00 64.21 65.41 2kcd n SER 58 CO 0.00 0.00 0.00 -0.78 -1.23 0.00 0.00 175.04 173.03 2kcd h ASP 59 N 1.95 -0.36 -0.57 -3.46 3.58 -2.00 0.25 116.42 115.82 2kcd h ASP 59 Ca -0.25 -0.06 -0.06 0.00 0.42 0.00 0.00 57.03 57.07 2kcd h ASP 59 Cb 1.21 0.09 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 2kcd h ASP 59 CO 0.38 -0.16 0.11 0.71 -2.88 0.00 0.00 179.24 177.40 2kcd h THR 60 N -0.54 1.25 -0.59 2.25 1.35 -1.99 -2.86 112.91 111.79 2kcd h THR 60 Ca -0.04 -0.95 -0.07 0.00 -0.55 0.00 0.00 66.41 64.79 2kcd h THR 60 Cb 0.40 0.76 -0.02 0.00 -1.73 0.00 0.00 68.15 67.56 2kcd h THR 60 CO 0.07 0.35 0.07 -0.07 -0.25 0.00 0.00 175.52 175.69 2kcd h LEU 61 N 0.84 0.92 -0.26 3.87 3.38 -1.85 -1.99 115.31 120.22 2kcd h LEU 61 Ca 0.18 -0.21 0.02 0.00 0.09 0.00 0.00 57.88 57.95 2kcd h LEU 61 Cb 0.39 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.87 2kcd h LEU 61 CO 0.01 0.94 0.11 -0.74 0.09 0.00 0.00 178.44 178.85 2kcd h HIS 62 N 0.90 0.21 -0.63 1.13 2.76 -0.72 0.10 115.15 118.90 2kcd h HIS 62 Ca 0.18 0.01 -0.09 0.00 -2.20 0.00 0.00 60.37 58.27 2kcd h HIS 62 Cb 0.43 -0.05 -0.02 0.00 1.55 0.00 0.00 27.41 29.31 2kcd h HIS 62 CO 0.03 0.11 0.04 0.87 -1.30 0.00 0.00 177.93 177.68 2kcd h LYS 63 N 0.25 1.07 0.00 5.26 6.56 -1.35 -1.60 116.57 126.76 2kcd h LYS 63 Ca 0.11 -0.31 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 2kcd h LYS 63 Cb 0.06 -0.11 0.00 0.00 -0.57 0.00 0.00 32.23 31.61 2kcd h LYS 63 CO -0.10 1.02 0.00 0.43 -2.06 0.00 0.00 179.45 178.74 2kcd n SER 64 N -4.19 0.00 -3.01 0.86 7.64 -0.76 -4.85 113.62 109.30 2kcd n SER 64 Ca 0.04 0.49 -0.22 0.00 1.01 0.00 0.00 58.87 60.18 2kcd n SER 64 Cb 0.32 -0.49 0.04 0.00 -1.01 0.00 0.00 64.21 63.07 2kcd n SER 64 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kcd n ASN 65 N -1.49 -6.17 -4.18 6.43 5.03 -0.02 -4.69 115.26 110.16 2kcd n ASN 65 Ca 0.04 -0.29 -0.30 0.00 0.87 0.00 0.00 54.58 54.90 2kcd n ASN 65 Cb 0.20 -4.98 -0.17 0.00 -1.02 0.00 0.00 39.78 33.81 2kcd n ASN 65 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 2kcd s ILE 66 N -3.19 1.85 -0.33 2.41 1.01 -0.97 -0.24 121.20 121.75 2kcd s ILE 66 Ca 0.31 -0.90 0.03 0.00 0.00 0.00 0.00 60.65 60.08 2kcd s ILE 66 Cb -0.13 -1.60 0.10 0.00 0.01 0.00 0.00 42.46 40.83 2kcd s ILE 66 CO 0.38 0.51 0.06 -0.31 0.00 0.00 0.00 174.94 175.58 2kcd s TYR 67 N 0.33 3.21 0.33 3.97 2.02 -0.89 -4.60 117.35 121.72 2kcd s TYR 67 Ca -0.16 -2.65 -0.27 0.00 -0.37 0.00 0.00 57.07 53.62 2kcd s TYR 67 Cb -0.17 -2.57 -0.13 0.00 -0.40 0.00 0.00 41.96 38.69 2kcd s TYR 67 CO 0.07 -0.93 1.15 -2.30 -1.57 0.00 0.00 175.55 171.97 2kcd n PRO 68 N 4.41 1.73 -4.49 -1.71 -0.02 -1.25 -2.71 135.00 130.96 2kcd n PRO 68 Ca 0.02 0.61 -0.29 0.00 -2.02 0.00 0.00 63.50 61.81 2kcd n PRO 68 Cb 0.42 -2.11 -0.17 0.00 -0.02 0.00 0.00 33.50 31.62 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 -1.11 2.11 -0.05 6.00 5.36 0.18 -2.64 117.98 127.84 2kcd s PHE 69 Ca 0.58 -1.01 0.01 0.00 -0.96 0.00 0.00 56.93 55.54 2kcd s PHE 69 Cb -0.61 -1.50 0.02 0.00 -0.34 0.00 0.00 43.02 40.59 2kcd s PHE 69 CO 0.61 -0.51 -0.04 0.42 -1.46 0.00 0.00 175.22 174.24 2kcd s ILE 70 N 0.96 0.54 -0.10 3.12 1.01 -1.10 -2.36 121.20 123.27 2kcd s ILE 70 Ca -0.06 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.44 2kcd s ILE 70 Cb -0.15 -0.58 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 2kcd s ILE 70 CO -0.02 0.23 0.07 -0.76 0.00 0.00 0.00 174.94 174.47 2kcd s LEU 71 N 1.06 3.99 0.02 2.97 1.43 -1.09 -1.99 118.68 125.08 2kcd s LEU 71 Ca -0.09 0.31 0.08 0.00 -1.03 0.00 0.00 54.13 53.40 2kcd s LEU 71 Cb -0.14 -1.95 -0.02 0.00 0.03 0.00 0.00 46.19 44.11 2kcd s LEU 71 CO -0.01 0.39 -0.23 -0.31 0.23 0.00 0.00 176.35 176.42 2kcd s TYR 72 N -0.95 2.07 -0.05 0.29 1.51 -1.02 -2.11 117.35 117.09 2kcd s TYR 72 Ca 0.14 -0.39 -0.02 0.00 -1.01 0.00 0.00 57.07 55.79 2kcd s TYR 72 Cb -0.12 -1.27 0.03 0.00 -0.11 0.00 0.00 41.96 40.50 2kcd s TYR 72 CO 0.03 0.06 0.06 -0.47 -1.11 0.00 0.00 175.55 174.12 2kcd s TYR 73 N -0.71 0.09 0.00 2.71 5.04 -0.53 -2.65 117.35 121.30 2kcd s TYR 73 Ca 0.09 0.20 0.00 0.00 -2.44 0.00 0.00 57.07 54.93 2kcd s TYR 73 Cb -0.09 -0.51 0.00 0.00 0.35 0.00 0.00 41.96 41.71 2kcd s TYR 73 CO 0.01 -0.22 0.00 1.04 -1.34 0.00 0.00 175.55 175.04 2kcd n GLN 74 N 5.29 0.00 0.00 4.97 6.02 -1.26 -1.55 117.38 130.85 2kcd n GLN 74 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 2kcd n GLN 74 Cb 0.50 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.76 2kcd n GLN 74 CO 0.00 0.00 0.00 0.36 -1.01 0.00 0.00 177.06 176.41 2kcd n LYS 75 N 0.00 0.61 -3.88 -1.09 2.85 -1.26 -5.10 118.16 110.28 2kcd n LYS 75 Ca 0.00 0.00 -0.29 0.00 -1.05 0.00 0.00 58.31 56.97 2kcd n LYS 75 Cb 0.00 -0.42 -0.04 0.00 -0.65 0.00 0.00 35.03 33.92 2kcd n LYS 75 CO 0.00 0.00 0.00 -1.14 -0.05 0.00 0.00 177.40 176.21 2kcd s GLN 76 N -0.88 3.47 0.66 -1.58 0.74 -0.60 -5.03 119.66 116.44 2kcd s GLN 76 Ca 0.00 -0.46 -0.12 0.00 0.05 0.00 0.00 55.36 54.83 2kcd s GLN 76 Cb 0.00 -2.97 -0.01 0.00 1.10 0.00 0.00 33.01 31.13 2kcd s GLN 76 CO 0.00 0.54 1.05 -0.48 -0.55 0.00 0.00 175.29 175.85 2kcd s LEU 77 N -2.91 3.23 -0.11 3.68 2.34 -1.26 -1.45 118.68 122.20 2kcd s LEU 77 Ca 0.36 1.64 0.05 0.00 0.06 0.00 0.00 54.13 56.24 2kcd s LEU 77 Cb -0.12 -4.50 -0.11 0.00 -0.56 0.00 0.00 46.19 40.90 2kcd s LEU 77 CO 0.28 -1.31 -0.03 -0.38 -1.06 0.00 0.00 176.35 173.84 2kcd n ILE 78 N -2.83 0.72 -3.48 1.48 2.08 -0.90 -4.76 119.36 111.67 2kcd n ILE 78 Ca 0.08 -0.37 -0.13 0.00 0.56 0.00 0.00 62.75 62.89 2kcd n ILE 78 Cb 0.53 -0.83 -0.04 0.00 -0.75 0.00 0.00 39.64 38.56 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 -2.25 -1.74 -0.01 -1.39 0.00 -1.26 -1.36 121.76 113.74 2kcd s ALA 79 Ca -0.11 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.85 2kcd s ALA 79 Cb 0.04 0.34 -0.00 0.00 0.00 0.00 0.00 23.12 23.50 2kcd s ALA 79 CO 0.37 -0.58 -0.08 0.42 0.00 0.00 0.00 175.76 175.88 2kcd s ILE 80 N -2.57 0.70 -0.24 0.00 1.01 0.43 -2.66 121.20 117.87 2kcd s ILE 80 Ca -0.02 -0.35 -0.34 0.00 0.00 0.00 0.00 60.65 59.94 2kcd s ILE 80 Cb -0.01 -0.61 0.16 0.00 0.01 0.00 0.00 42.46 42.02 2kcd s ILE 80 CO -0.04 0.21 1.28 -0.83 0.00 0.00 0.00 174.94 175.56 2kcd s GLY 81 N -0.01 -0.15 -0.06 6.18 0.00 -0.99 -2.37 107.32 109.91 2kcd s GLY 81 Ca 0.00 2.08 0.02 0.00 0.00 0.00 0.00 44.72 46.82 2kcd s GLY 81 CO -0.00 0.76 -0.11 -0.11 0.00 0.00 0.00 173.10 173.64 2kcd s PHE 82 N -1.82 2.80 -0.30 1.90 -0.12 -0.92 -0.64 117.98 118.88 2kcd s PHE 82 Ca 0.09 -0.10 -0.12 0.00 -0.05 0.00 0.00 56.93 56.74 2kcd s PHE 82 Cb -0.01 -1.67 -0.04 0.00 -0.63 0.00 0.00 43.02 40.68 2kcd s PHE 82 CO -0.05 0.23 0.24 0.42 -0.05 0.00 0.00 175.22 176.01 2kcd s ILE 83 N -0.72 5.28 -0.03 -4.49 1.01 -1.10 -2.45 121.20 118.70 2kcd s ILE 83 Ca 0.11 0.10 -0.22 0.00 0.00 0.00 0.00 60.65 60.64 2kcd s ILE 83 Cb -0.11 -3.62 -0.05 0.00 0.01 0.00 0.00 42.46 38.69 2kcd s ILE 83 CO 0.01 0.14 0.65 -0.62 0.00 0.00 0.00 174.94 175.12 2kcd s ASP 84 N 1.73 7.00 0.97 3.58 2.15 -0.96 -2.10 116.67 129.06 2kcd s ASP 84 Ca 0.08 1.19 0.00 0.00 0.43 0.00 0.00 52.55 54.25 2kcd s ASP 84 Cb -0.16 -2.39 0.00 0.00 -0.30 0.00 0.00 42.92 40.06 2kcd s ASP 84 CO 0.11 0.00 0.00 -0.62 -0.17 0.00 0.00 175.17 174.49 2kcd n GLU 85 N 3.17 0.00 -0.00 4.34 1.02 0.67 -0.98 120.64 128.86 2kcd n GLU 85 Ca -0.04 0.00 0.01 0.00 -0.02 0.00 0.00 57.16 57.10 2kcd n GLU 85 Cb 0.51 0.00 -0.01 0.00 -0.02 0.00 0.00 31.44 31.92 2kcd n GLU 85 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 2kcd n ASN 86 N 7.72 2.96 0.00 1.62 3.02 -1.26 -4.75 115.26 124.57 2kcd n ASN 86 Ca 0.00 -0.20 0.00 0.00 -0.03 0.00 0.00 54.58 54.35 2kcd n ASN 86 Cb 0.00 1.03 0.00 0.00 -0.61 0.00 0.00 39.78 40.20 2kcd n ASN 86 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2kcd n HIS 87 N -1.35 0.00 -3.62 3.10 1.44 -0.15 -4.98 115.22 109.66 2kcd n HIS 87 Ca -0.00 0.00 -0.26 0.00 -2.01 0.00 0.00 57.72 55.45 2kcd n HIS 87 Cb 0.03 0.00 0.05 0.00 0.12 0.00 0.00 29.99 30.18 2kcd n HIS 87 CO 0.00 0.00 0.00 -0.25 -2.81 0.00 0.00 176.34 173.28 2kcd n ASP 88 N 0.00 -5.61 -4.77 4.39 8.00 -1.26 -2.25 116.55 115.04 2kcd n ASP 88 Ca 0.00 -0.58 -0.39 0.00 0.71 0.00 0.00 54.79 54.53 2kcd n ASP 88 Cb 0.00 -4.46 -0.05 0.00 -0.02 0.00 0.00 41.12 36.58 2kcd n ASP 88 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2kcd s MET 89 N -6.33 4.58 0.12 -1.24 0.23 -1.26 -4.19 119.30 111.21 2kcd s MET 89 Ca 0.57 1.55 0.09 0.00 -1.03 0.00 0.00 55.69 56.86 2kcd s MET 89 Cb -0.27 -2.98 -0.04 0.00 -1.53 0.00 0.00 34.83 30.01 2kcd s MET 89 CO 0.70 0.23 -0.16 0.34 -2.03 0.00 0.00 175.02 174.11 2kcd s ASP 90 N -1.28 4.02 -0.48 -1.18 2.15 -1.02 -4.95 116.67 113.93 2kcd s ASP 90 Ca 0.48 -0.53 -0.12 0.00 0.43 0.00 0.00 52.55 52.82 2kcd s ASP 90 Cb -0.25 -0.62 0.11 0.00 -0.30 0.00 0.00 42.92 41.86 2kcd s ASP 90 CO 0.32 0.17 0.37 -0.36 -0.17 0.00 0.00 175.17 175.50 2kcd s PHE 91 N -1.20 3.34 0.18 -5.34 0.08 -1.26 -2.16 117.98 111.62 2kcd s PHE 91 Ca 0.19 -1.53 -0.08 0.00 0.12 0.00 0.00 56.93 55.63 2kcd s PHE 91 Cb -0.11 -3.41 0.08 0.00 -0.57 0.00 0.00 43.02 39.01 2kcd s PHE 91 CO 0.11 -0.94 1.61 -0.07 -0.10 0.00 0.00 175.22 175.82 2kcd h LEU 92 N 8.59 0.98 -7.37 -0.37 3.38 -1.85 -3.43 115.31 115.25 2kcd h LEU 92 Ca -0.25 -0.33 -0.24 0.00 0.09 0.00 0.00 57.88 57.15 2kcd h LEU 92 Cb 1.09 -0.27 -0.32 0.00 0.09 0.00 0.00 40.66 41.25 2kcd h LEU 92 CO 0.88 1.11 -0.58 -0.47 0.09 0.00 0.00 178.44 179.47 2kcd s TYR 93 N -4.79 -0.21 -0.12 1.13 5.04 -1.22 -4.08 117.35 113.10 2kcd s TYR 93 Ca -0.11 0.59 -0.00 0.00 -2.44 0.00 0.00 57.07 55.11 2kcd s TYR 93 Cb 0.13 -0.10 -0.02 0.00 0.35 0.00 0.00 41.96 42.33 2kcd s TYR 93 CO 0.86 -0.21 -0.12 -1.17 -1.34 0.00 0.00 175.55 173.56 2kcd s LEU 94 N 1.50 2.76 -0.25 6.97 2.96 -1.26 -0.42 118.68 130.94 2kcd s LEU 94 Ca -0.06 -0.30 0.00 0.00 -0.22 0.00 0.00 54.13 53.56 2kcd s LEU 94 Cb -0.11 -1.62 0.07 0.00 0.50 0.00 0.00 46.19 45.02 2kcd s LEU 94 CO -0.07 0.19 -0.01 -2.28 -1.32 0.00 0.00 176.35 172.86 2kcd s HIS 95 N 0.23 2.29 -0.55 5.38 5.65 -0.47 -3.80 115.29 124.02 2kcd s HIS 95 Ca -0.08 -1.78 -0.17 0.00 0.25 0.00 0.00 55.06 53.28 2kcd s HIS 95 Cb -0.15 -1.67 0.11 0.00 -1.18 0.00 0.00 32.58 29.69 2kcd s HIS 95 CO 0.05 -0.79 0.57 1.21 -0.65 0.00 0.00 174.74 175.13 2kcd s ASN 96 N 1.43 6.19 0.28 9.88 3.84 -1.26 -4.23 114.94 131.06 2kcd s ASN 96 Ca -0.02 -1.57 0.00 0.00 0.21 0.00 0.00 52.86 51.49 2kcd s ASN 96 Cb -0.18 -2.25 0.00 0.00 -0.55 0.00 0.00 41.25 38.27 2kcd s ASN 96 CO -0.09 -0.94 0.00 0.35 -2.79 0.00 0.00 177.10 173.63 2kcd n THR 97 N 5.38 0.00 -1.45 -5.21 -2.24 -1.26 0.78 114.28 110.28 2kcd n THR 97 Ca -0.12 0.00 0.06 0.00 -2.27 0.00 0.00 64.05 61.73 2kcd n THR 97 Cb 0.42 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.74 2kcd n THR 97 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 2kcd n VAL 98 N 0.00 1.26 -3.19 2.28 3.14 -1.26 -4.87 118.33 115.69 2kcd n VAL 98 Ca 0.00 -1.60 -0.22 0.00 -2.96 0.00 0.00 64.34 59.56 2kcd n VAL 98 Cb 0.00 0.04 -0.06 0.00 -1.06 0.00 0.00 33.84 32.75 2kcd n VAL 98 CO 0.00 0.00 0.00 1.15 -6.46 0.00 0.00 176.83 171.52 2kcd n MET 99 N -0.90 0.53 -1.76 1.45 -0.00 0.23 -5.13 117.12 111.55 2kcd n MET 99 Ca 0.11 -2.99 -0.40 0.00 -0.00 0.00 0.00 57.70 54.42 2kcd n MET 99 Cb 0.68 -1.40 0.02 0.00 -0.00 0.00 0.00 33.22 32.52 2kcd n MET 99 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 175.97 173.67 2kcd n PRO 100 N 2.00 2.25 -0.04 3.17 -0.02 -1.25 -4.28 135.00 136.83 2kcd n PRO 100 Ca 0.23 0.80 -0.04 0.00 -2.02 0.00 0.00 63.50 62.47 2kcd n PRO 100 Cb 0.53 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.36 2kcd n PRO 100 CO 0.00 0.00 0.00 1.28 1.98 0.00 0.00 175.50 178.76 2kcd n LEU 101 N -0.20 0.88 0.00 2.45 4.77 -1.26 -4.89 117.00 118.74 2kcd n LEU 101 Ca 0.05 0.18 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 2kcd n LEU 101 Cb 0.41 -0.62 0.00 0.00 -2.33 0.00 0.00 43.42 40.89 2kcd n LEU 101 CO 0.59 -0.40 0.04 0.18 -1.33 0.00 0.00 177.39 176.47 2kcd n LEU 102 N -3.39 2.08 -3.23 2.23 4.77 -1.26 -4.98 117.00 113.23 2kcd n LEU 102 Ca -0.06 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 55.94 2kcd n LEU 102 Cb 0.22 -0.09 0.01 0.00 -2.33 0.00 0.00 43.42 41.24 2kcd n LEU 102 CO 0.09 -0.09 -0.40 -0.90 -1.33 0.00 0.00 177.39 174.76 2kcd n ASP 103 N -0.77 -5.95 -4.19 -1.43 5.75 -1.25 -4.91 116.55 103.80 2kcd n ASP 103 Ca 0.00 0.18 -0.34 0.00 -0.01 0.00 0.00 54.79 54.62 2kcd n ASP 103 Cb 0.00 -1.53 -0.15 0.00 -1.03 0.00 0.00 41.12 38.42 2kcd n ASP 103 CO 0.00 0.00 0.00 -1.10 -0.11 0.00 0.00 177.20 175.99 2kcd s GLN 104 N -1.50 2.86 0.33 0.11 -0.21 -1.26 -4.97 119.66 115.03 2kcd s GLN 104 Ca 0.14 -0.96 0.06 0.00 0.02 0.00 0.00 55.36 54.63 2kcd s GLN 104 Cb -0.01 -2.94 0.60 0.00 1.00 0.00 0.00 33.01 31.66 2kcd s GLN 104 CO 0.32 -0.37 1.82 0.00 -2.12 0.00 0.00 175.29 174.94 2kcd h ARG 105 N 8.00 0.36 -0.55 2.91 2.47 -1.91 -2.75 114.38 122.90 2kcd h ARG 105 Ca -0.34 -0.11 0.08 0.00 -1.26 0.00 0.00 59.98 58.36 2kcd h ARG 105 Cb 1.11 -0.04 -0.07 0.00 -1.65 0.00 0.00 29.97 29.33 2kcd h ARG 105 CO 0.58 0.53 0.19 1.88 0.56 0.00 0.00 179.97 183.71 2kcd h TYR 106 N 0.33 0.33 -0.54 3.04 0.05 -1.94 0.24 116.97 118.49 2kcd h TYR 106 Ca 0.06 0.03 -0.06 0.00 0.05 0.00 0.00 58.73 58.80 2kcd h TYR 106 Cb 0.51 -0.06 -0.02 0.00 1.01 0.00 0.00 36.73 38.17 2kcd h TYR 106 CO 0.01 0.09 0.09 -0.07 -1.05 0.00 0.00 178.16 177.23 2kcd h LEU 107 N 0.36 0.85 -0.69 3.88 -0.00 -1.70 2.54 115.31 120.54 2kcd h LEU 107 Ca 0.27 -0.26 -0.05 0.00 -0.00 0.00 0.00 57.88 57.85 2kcd h LEU 107 Cb 0.32 -0.23 -0.03 0.00 -0.00 0.00 0.00 40.66 40.73 2kcd h LEU 107 CO -0.28 0.89 0.24 -0.07 -0.00 0.00 0.00 178.44 179.22 2kcd h LEU 108 N 0.77 0.99 -2.19 1.67 3.38 -1.08 -2.49 115.31 116.35 2kcd h LEU 108 Ca 0.16 -0.19 0.00 0.00 0.09 0.00 0.00 57.88 57.94 2kcd h LEU 108 Cb 0.40 -0.26 0.00 0.00 0.09 0.00 0.00 40.66 40.89 2kcd h LEU 108 CO 0.01 0.91 0.00 0.35 0.09 0.00 0.00 178.44 179.80 2kcd n THR 109 N -4.34 0.46 -0.32 0.22 -2.24 0.75 -4.75 114.28 104.06 2kcd n THR 109 Ca 0.05 -0.70 0.04 0.00 -2.27 0.00 0.00 64.05 61.18 2kcd n THR 109 Cb 0.20 0.94 -0.01 0.00 -2.10 0.00 0.00 70.33 69.36 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 1.47 -1.58 3.74 3.38 0.00 0.85 -4.83 105.19 108.22 2kcd n GLY 110 Ca 0.19 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.36 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 -3.71 2.93 -0.16 -0.02 0.00 -1.24 -4.42 107.32 100.70 2kcd s GLY 111 Ca 0.00 0.79 -0.12 0.00 0.00 0.00 0.00 44.72 45.40 2kcd s GLY 111 CO 0.00 1.56 0.23 1.62 0.00 0.00 0.00 173.10 176.51 2kcd s GLN 112 N -0.64 4.11 0.25 2.90 2.00 -1.26 -5.06 119.66 121.95 2kcd s GLN 112 Ca 0.47 -0.02 -0.30 0.00 -2.00 0.00 0.00 55.36 53.52 2kcd s GLN 112 Cb -0.29 -3.38 -0.09 0.00 0.80 0.00 0.00 33.01 30.05 2kcd s GLN 112 CO 0.35 0.36 1.09 -0.51 -0.50 0.00 0.00 175.29 176.08 2kcd s LEU 113 N 0.14 4.54 0.00 3.68 1.43 -1.26 -5.05 118.68 122.17 2kcd s LEU 113 Ca 0.14 2.20 0.00 0.00 -1.03 0.00 0.00 54.13 55.44 2kcd s LEU 113 Cb -0.12 -3.62 0.00 0.00 0.03 0.00 0.00 46.19 42.48 2kcd s LEU 113 CO 0.02 -0.14 0.00 -0.62 0.23 0.00 0.00 176.35 175.85 2kcd n GLU 114 N 1.53 1.18 -1.65 1.70 4.71 -1.26 -4.38 120.64 122.46 2kcd n GLU 114 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 2kcd n GLU 114 Cb 0.45 0.00 -0.05 0.00 -1.01 0.00 0.00 31.44 30.83 2kcd n GLU 114 CO 0.00 0.00 0.00 1.58 0.09 0.00 0.00 177.13 178.80 2kcd n HIS 115 N -0.67 -0.47 1.29 -0.32 -0.00 -1.26 -4.76 115.22 109.04 2kcd n HIS 115 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kcd n HIS 115 Cb 0.00 -2.92 0.00 0.00 -0.12 0.00 0.00 29.99 26.95 2kcd n HIS 115 CO 0.00 0.00 0.00 -2.39 0.46 0.00 0.00 176.34 174.41 2kcd n HIS 116 N -2.36 0.00 -0.22 1.57 1.44 -1.26 -3.73 115.22 110.65 2kcd n HIS 116 Ca -0.16 0.00 -0.06 0.00 -2.01 0.00 0.00 57.72 55.49 2kcd n HIS 116 Cb 0.54 -0.03 0.04 0.00 0.12 0.00 0.00 29.99 30.66 2kcd n HIS 116 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 2kcd h HIS 117 N 0.08 0.84 -2.64 -1.40 2.76 -1.96 -3.45 115.15 109.39 2kcd h HIS 117 Ca 0.00 -0.01 -0.08 0.00 -2.20 0.00 0.00 60.37 58.08 2kcd h HIS 117 Cb 0.15 -0.27 -0.19 0.00 1.55 0.00 0.00 27.41 28.65 2kcd h HIS 117 CO 0.00 0.59 -0.05 -3.38 -1.30 0.00 0.00 177.93 173.79 2kcd s HIS 118 N -5.93 -0.39 0.00 5.26 -3.43 -1.24 -5.04 115.29 104.52 2kcd s HIS 118 Ca -0.13 0.59 0.00 0.00 -0.80 0.00 0.00 55.06 54.72 2kcd s HIS 118 Cb 0.13 0.25 0.00 0.00 -1.43 0.00 0.00 32.58 31.54 2kcd s HIS 118 CO 0.77 -0.52 0.00 -2.39 -2.00 0.00 0.00 174.74 170.60 2kcd n HIS 119 N 0.93 0.00 1.59 0.38 -0.00 -1.26 -5.07 115.22 111.78 2kcd n HIS 119 Ca -0.20 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 57.65 2kcd n HIS 119 Cb 0.57 0.00 0.75 0.00 -0.00 0.00 0.00 29.99 31.32 2kcd n HIS 119 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92