#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kds s ALA 3 N 0.00 -1.58 -0.13 0.55 0.00 -1.26 -5.16 121.76 114.19 2kds s ALA 3 Ca 0.00 0.59 -0.02 0.00 0.00 0.00 0.00 51.96 52.53 2kds s ALA 3 Cb 0.00 0.73 -0.03 0.00 0.00 0.00 0.00 23.12 23.82 2kds s ALA 3 CO 0.00 -0.69 -0.06 0.42 0.00 0.00 0.00 175.76 175.43 2kds s ILE 4 N -3.33 3.74 0.11 0.00 1.01 -1.26 -4.79 121.20 116.68 2kds s ILE 4 Ca -0.01 -0.43 -0.11 0.00 0.00 0.00 0.00 60.65 60.10 2kds s ILE 4 Cb -0.01 -2.60 0.01 0.00 0.01 0.00 0.00 42.46 39.87 2kds s ILE 4 CO -0.09 0.53 0.26 -1.61 0.00 0.00 0.00 174.94 174.03 2kds s GLU 5 N 0.03 0.94 -0.07 2.79 2.02 -1.26 -5.15 118.70 118.00 2kds s GLU 5 Ca -0.01 -0.90 -0.05 0.00 0.02 0.00 0.00 54.97 54.03 2kds s GLU 5 Cb -0.14 0.38 -0.04 0.00 0.10 0.00 0.00 34.13 34.44 2kds s GLU 5 CO 0.03 -0.33 0.15 0.08 0.02 0.00 0.00 175.26 175.21 2kds s VAL 6 N -3.85 5.41 0.00 2.63 1.01 -1.26 -4.27 120.40 120.07 2kds s VAL 6 Ca 0.05 0.02 0.00 0.00 0.00 0.00 0.00 61.98 62.06 2kds s VAL 6 Cb 0.04 -3.43 0.00 0.00 0.00 0.00 0.00 36.38 32.99 2kds s VAL 6 CO -0.10 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.10 2kds n GLY 7 N 1.54 0.54 3.98 4.51 0.00 0.30 -3.17 105.19 112.89 2kds n GLY 7 Ca -0.16 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.62 2kds n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2kds s ARG 8 N -0.84 1.57 -0.08 1.61 0.52 -1.24 -4.36 118.95 116.14 2kds s ARG 8 Ca 0.00 -0.96 -0.12 0.00 -0.52 0.00 0.00 55.73 54.12 2kds s ARG 8 Cb 0.00 -2.26 -0.05 0.00 0.52 0.00 0.00 34.95 33.16 2kds s ARG 8 CO 0.00 -1.56 0.30 0.42 0.02 0.00 0.00 175.30 174.49 2kds s ILE 9 N -3.24 5.24 0.18 1.52 1.01 -1.26 -1.49 121.20 123.15 2kds s ILE 9 Ca 0.67 0.59 0.07 0.00 0.00 0.00 0.00 60.65 61.98 2kds s ILE 9 Cb -0.05 -3.60 -0.04 0.00 0.01 0.00 0.00 42.46 38.77 2kds s ILE 9 CO 0.45 0.54 -0.14 0.00 0.00 0.00 0.00 174.94 175.79 2kds s VAL 11 N -2.80 2.21 -0.27 0.00 1.01 0.06 0.15 120.40 120.76 2kds s VAL 11 Ca 0.18 -0.98 -0.17 0.00 0.00 0.00 0.00 61.98 61.01 2kds s VAL 11 Cb -0.01 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.50 2kds s VAL 11 CO 0.05 0.56 0.47 -0.75 0.00 0.00 0.00 175.10 175.44 2kds s LYS 12 N 0.13 4.02 -0.13 2.72 2.47 -0.92 -3.69 119.74 124.34 2kds s LYS 12 Ca -0.12 0.20 0.01 0.00 -1.56 0.00 0.00 55.97 54.51 2kds s LYS 12 Cb -0.16 -3.67 -0.01 0.00 -1.46 0.00 0.00 37.83 32.54 2kds s LYS 12 CO 0.06 -0.35 -0.16 0.08 0.16 0.00 0.00 175.35 175.14 2kds s VAL 13 N 2.25 2.71 0.29 4.02 1.01 -1.26 -3.22 120.40 126.20 2kds s VAL 13 Ca 0.19 -0.78 0.00 0.00 0.00 0.00 0.00 61.98 61.40 2kds s VAL 13 Cb -0.16 -2.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.09 2kds s VAL 13 CO 0.10 0.53 0.33 -1.59 0.00 0.00 0.00 175.10 174.47 2kds s LYS 14 N 0.45 1.65 0.28 2.72 -2.85 -1.21 -4.79 119.74 115.99 2kds s LYS 14 Ca -0.12 -1.76 -0.26 0.00 -1.00 0.00 0.00 55.97 52.83 2kds s LYS 14 Cb -0.16 0.37 -0.09 0.00 -2.06 0.00 0.00 37.83 35.88 2kds s LYS 14 CO 0.05 -0.63 0.90 0.20 0.10 0.00 0.00 175.35 175.97 2kds s GLY 15 N -3.24 2.85 -0.24 0.59 0.00 -1.26 -4.21 107.32 101.81 2kds s GLY 15 Ca 0.35 0.48 -0.09 0.00 0.00 0.00 0.00 44.72 45.46 2kds s GLY 15 CO 0.20 0.94 0.19 -2.13 0.00 0.00 0.00 173.10 172.29 2kds n ARG 16 N 0.85 -1.93 0.00 2.90 0.63 -1.26 -4.89 116.66 112.96 2kds n ARG 16 Ca -0.00 1.75 0.00 0.00 -0.92 0.00 0.00 57.85 58.68 2kds n ARG 16 Cb 0.49 -3.30 0.00 0.00 0.45 0.00 0.00 32.46 30.10 2kds n ARG 16 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kds n GLU 17 N 0.64 0.00 0.00 -0.14 4.07 -1.26 -5.15 120.64 118.80 2kds n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 2kds n GLU 17 Cb 0.36 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.74 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 2kds n ALA 18 N 0.11 0.00 0.00 4.31 0.00 -1.26 -3.34 120.51 120.33 2kds n ALA 18 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2kds n ALA 18 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 2kds n ALA 18 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2kds n GLY 19 N 0.00 -1.98 3.55 0.00 0.00 -1.20 -4.89 105.19 100.67 2kds n GLY 19 Ca 0.00 1.05 -0.16 0.00 0.00 0.00 0.00 46.02 46.91 2kds n GLY 19 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2kds s SER 20 N 0.00 -0.63 0.08 1.61 1.04 -1.26 -4.70 113.70 109.84 2kds s SER 20 Ca 0.00 0.83 -0.05 0.00 0.48 0.00 0.00 55.95 57.21 2kds s SER 20 Cb 0.00 0.71 -0.05 0.00 0.10 0.00 0.00 66.02 66.78 2kds s SER 20 CO 0.00 -0.49 0.32 -0.54 0.98 0.00 0.00 173.24 173.51 2kds s LYS 21 N -0.81 3.60 0.11 4.02 1.02 -1.26 -2.15 119.74 124.26 2kds s LYS 21 Ca -0.07 -0.11 -0.05 0.00 0.02 0.00 0.00 55.97 55.76 2kds s LYS 21 Cb -0.01 -2.96 -0.02 0.00 -0.52 0.00 0.00 37.83 34.31 2kds s LYS 21 CO 0.07 0.55 0.14 0.00 -0.92 0.00 0.00 175.35 175.19 2kds s VAL 23 N -3.95 2.96 -0.04 0.00 1.01 0.28 0.16 120.40 120.82 2kds s VAL 23 Ca 0.14 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 61.21 2kds s VAL 23 Cb 0.06 -2.19 -0.05 0.00 0.00 0.00 0.00 36.38 34.20 2kds s VAL 23 CO -0.05 0.56 0.49 -0.63 0.00 0.00 0.00 175.10 175.48 2kds s ILE 24 N -0.19 5.03 -0.49 2.22 1.01 -0.56 0.34 121.20 128.56 2kds s ILE 24 Ca -0.00 1.02 0.06 0.00 0.00 0.00 0.00 60.65 61.73 2kds s ILE 24 Cb -0.13 -3.82 0.21 0.00 0.01 0.00 0.00 42.46 38.72 2kds s ILE 24 CO 0.03 0.44 0.73 1.33 0.00 0.00 0.00 174.94 177.47 2kds n VAL 25 N 2.76 -0.17 0.00 2.92 0.24 0.38 0.11 118.33 124.57 2kds n VAL 25 Ca -0.09 -1.58 0.00 0.00 -2.04 0.00 0.00 64.34 60.63 2kds n VAL 25 Cb 0.52 0.71 0.00 0.00 -1.47 0.00 0.00 33.84 33.59 2kds n VAL 25 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kds n ASP 26 N 2.44 0.00 -4.24 -1.34 2.03 -1.22 -4.51 116.55 109.72 2kds n ASP 26 Ca 0.17 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.15 2kds n ASP 26 Cb 0.57 0.00 -0.17 0.00 -0.72 0.00 0.00 41.12 40.81 2kds n ASP 26 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 2kds s ILE 27 N -2.00 2.19 0.00 5.18 -1.09 -1.26 -3.20 121.20 121.02 2kds s ILE 27 Ca 0.00 -0.97 0.00 0.00 -2.23 0.00 0.00 60.65 57.45 2kds s ILE 27 Cb 0.00 -1.85 0.00 0.00 -1.58 0.00 0.00 42.46 39.03 2kds s ILE 27 CO 0.00 0.55 0.00 -0.38 -1.23 0.00 0.00 174.94 173.88 2kds n ILE 28 N 3.56 0.00 -0.11 2.92 5.41 -1.17 -4.78 119.36 125.18 2kds n ILE 28 Ca -0.19 0.00 0.06 0.00 1.00 0.00 0.00 62.75 63.62 2kds n ILE 28 Cb 0.53 0.00 0.39 0.00 -0.71 0.00 0.00 39.64 39.85 2kds n ILE 28 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 2kds h ASP 29 N 0.00 0.57 0.00 4.38 3.58 -1.99 -3.45 116.42 119.50 2kds h ASP 29 Ca 0.00 -0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.45 2kds h ASP 29 Cb 0.00 -0.13 0.00 0.00 1.72 0.00 0.00 39.33 40.92 2kds h ASP 29 CO 0.00 0.38 0.00 0.47 -2.88 0.00 0.00 179.24 177.21 2kds n ASP 30 N -4.47 0.00 -0.84 2.28 8.00 -1.26 -4.86 116.55 115.40 2kds n ASP 30 Ca 0.08 0.00 0.11 0.00 0.71 0.00 0.00 54.79 55.69 2kds n ASP 30 Cb 0.19 0.00 0.29 0.00 -0.02 0.00 0.00 41.12 41.58 2kds n ASP 30 CO 0.00 0.00 0.00 0.59 -0.39 0.00 0.00 177.20 177.40 2kds n ASN 31 N 0.00 2.53 -4.16 -2.24 3.02 -1.26 -4.84 115.26 108.32 2kds n ASN 31 Ca 0.00 -1.86 -0.19 0.00 -0.03 0.00 0.00 54.58 52.51 2kds n ASN 31 Cb 0.00 -0.17 -0.12 0.00 -0.61 0.00 0.00 39.78 38.87 2kds n ASN 31 CO 0.00 0.00 0.00 -0.36 -2.62 0.00 0.00 177.26 174.28 2kds s PHE 32 N -1.66 1.19 0.13 3.10 0.08 -1.26 -1.84 117.98 117.72 2kds s PHE 32 Ca 0.35 -0.42 0.03 0.00 0.12 0.00 0.00 56.93 57.00 2kds s PHE 32 Cb 0.20 -0.69 -0.04 0.00 -0.57 0.00 0.00 43.02 41.92 2kds s PHE 32 CO 0.29 0.05 -0.06 0.14 -0.10 0.00 0.00 175.22 175.53 2kds s VAL 33 N -1.12 0.83 -0.18 -0.44 -7.23 -0.91 -3.06 120.40 108.29 2kds s VAL 33 Ca -0.01 -1.98 -0.07 0.00 -1.81 0.00 0.00 61.98 58.11 2kds s VAL 33 Cb -0.09 -1.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.97 2kds s VAL 33 CO 0.02 -0.74 0.05 -0.22 -0.31 0.00 0.00 175.10 173.90 2kds s LEU 34 N -3.11 3.71 0.15 1.32 0.20 -1.19 -1.98 118.68 117.77 2kds s LEU 34 Ca 0.16 0.04 0.08 0.00 0.69 0.00 0.00 54.13 55.10 2kds s LEU 34 Cb 0.05 -1.93 -0.04 0.00 -0.43 0.00 0.00 46.19 43.83 2kds s LEU 34 CO -0.01 0.17 -0.18 0.68 -0.29 0.00 0.00 176.35 176.72 2kds s VAL 35 N 0.39 1.73 0.04 1.68 -7.23 0.17 0.14 120.40 117.32 2kds s VAL 35 Ca 0.02 -1.82 -0.01 0.00 -1.81 0.00 0.00 61.98 58.35 2kds s VAL 35 Cb -0.13 -1.74 -0.03 0.00 0.56 0.00 0.00 36.38 35.04 2kds s VAL 35 CO 0.01 -0.28 -0.01 0.28 -0.31 0.00 0.00 175.10 174.78 2kds s THR 36 N -1.90 0.18 0.18 5.32 -1.32 0.15 -0.99 115.64 117.26 2kds s THR 36 Ca 0.13 -1.48 -0.17 0.00 -1.21 0.00 0.00 61.69 58.95 2kds s THR 36 Cb -0.06 -1.12 0.03 0.00 -1.51 0.00 0.00 72.50 69.83 2kds s THR 36 CO 0.06 -0.82 0.50 -0.83 -2.21 0.00 0.00 174.62 171.32 2kds s GLY 37 N -2.46 -0.15 0.07 6.08 0.00 -1.01 0.10 107.32 109.95 2kds s GLY 37 Ca -0.00 -0.15 -0.31 0.00 0.00 0.00 0.00 44.72 44.25 2kds s GLY 37 CO -0.07 -0.25 1.89 -1.55 0.00 0.00 0.00 173.10 173.12 2kds n PRO 38 N -0.32 2.76 -0.36 2.90 -0.04 -1.26 -3.79 135.00 134.88 2kds n PRO 38 Ca -0.11 1.01 -0.02 0.00 -0.04 0.00 0.00 63.50 64.33 2kds n PRO 38 Cb 0.63 -2.92 0.11 0.00 -0.04 0.00 0.00 33.50 31.28 2kds n PRO 38 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 2kds h LYS 39 N 9.36 1.25 -0.51 0.54 3.64 -1.85 -2.96 116.57 126.04 2kds h LYS 39 Ca -0.48 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 58.78 2kds h LYS 39 Cb 1.23 -0.28 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 2kds h LYS 39 CO 0.94 0.82 0.14 -0.44 -2.27 0.00 0.00 179.45 178.65 2kds h ASP 40 N 1.28 0.76 0.00 4.20 3.32 -1.89 -3.33 116.42 120.76 2kds h ASP 40 Ca 0.36 -0.22 0.00 0.00 0.02 0.00 0.00 57.03 57.20 2kds h ASP 40 Cb -0.11 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.25 2kds h ASP 40 CO -0.09 0.78 0.00 -0.38 -1.72 0.00 0.00 179.24 177.82 2kds n ILE 41 N -4.47 0.00 -0.24 0.35 2.08 -1.18 -4.68 119.36 111.22 2kds n ILE 41 Ca 0.02 0.45 0.08 0.00 0.56 0.00 0.00 62.75 63.85 2kds n ILE 41 Cb 0.21 -1.43 0.34 0.00 -0.75 0.00 0.00 39.64 38.01 2kds n ILE 41 CO 0.00 0.00 0.00 0.74 0.56 0.00 0.00 176.55 177.85 2kds h THR 42 N 0.00 0.97 0.00 1.39 2.02 -1.76 -3.46 112.91 112.07 2kds h THR 42 Ca 0.00 -0.27 0.00 0.00 0.77 0.00 0.00 66.41 66.91 2kds h THR 42 Cb 0.00 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 66.52 2kds h THR 42 CO 0.00 0.14 0.00 0.61 0.37 0.00 0.00 175.52 176.64 2kds n GLY 43 N -1.43 0.92 3.47 2.16 0.00 -1.22 -4.71 105.19 104.37 2kds n GLY 43 Ca 0.14 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.92 2kds n GLY 43 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2kds s VAL 44 N -2.00 2.13 0.00 1.61 -7.23 -1.26 -5.01 120.40 108.64 2kds s VAL 44 Ca 0.00 -2.26 0.00 0.00 -1.81 0.00 0.00 61.98 57.91 2kds s VAL 44 Cb 0.00 -2.41 0.00 0.00 0.56 0.00 0.00 36.38 34.53 2kds s VAL 44 CO 0.00 -0.34 0.00 1.17 -0.31 0.00 0.00 175.10 175.62 2kds n LYS 45 N -0.64 0.00 -3.69 4.82 4.81 -1.25 -2.59 118.16 119.62 2kds n LYS 45 Ca -0.05 0.00 -0.13 0.00 -0.87 0.00 0.00 58.31 57.25 2kds n LYS 45 Cb 0.62 -0.00 -0.13 0.00 0.02 0.00 0.00 35.03 35.53 2kds n LYS 45 CO 0.00 0.00 0.00 0.50 1.17 0.00 0.00 177.40 179.07 2kds s ARG 46 N -1.01 0.15 0.24 1.64 3.52 -1.26 -2.41 118.95 119.82 2kds s ARG 46 Ca 0.00 0.62 -0.16 0.00 -0.13 0.00 0.00 55.73 56.05 2kds s ARG 46 Cb 0.00 -0.10 0.01 0.00 -1.56 0.00 0.00 34.95 33.30 2kds s ARG 46 CO 0.00 -0.23 0.55 -0.98 -0.81 0.00 0.00 175.30 173.83 2kds s ARG 47 N 1.87 1.55 0.02 5.12 1.70 -0.16 -4.99 118.95 124.05 2kds s ARG 47 Ca -0.03 -1.05 0.07 0.00 -0.47 0.00 0.00 55.73 54.24 2kds s ARG 47 Cb -0.11 0.52 -0.03 0.00 -0.57 0.00 0.00 34.95 34.76 2kds s ARG 47 CO -0.08 -0.66 -0.19 1.03 -1.08 0.00 0.00 175.30 174.31 2kds s ARG 48 N -3.94 2.12 -0.01 3.89 0.52 -1.26 0.41 118.95 120.68 2kds s ARG 48 Ca 0.15 -0.94 0.03 0.00 -0.52 0.00 0.00 55.73 54.45 2kds s ARG 48 Cb -0.02 -2.18 -0.01 0.00 0.52 0.00 0.00 34.95 33.26 2kds s ARG 48 CO 0.04 0.55 -0.10 0.54 0.02 0.00 0.00 175.30 176.36 2kds s VAL 49 N -0.84 0.77 0.67 3.52 0.11 -0.84 -4.95 120.40 118.84 2kds s VAL 49 Ca 0.13 -0.43 -0.11 0.00 -2.93 0.00 0.00 61.98 58.65 2kds s VAL 49 Cb -0.10 -0.65 -0.00 0.00 -1.53 0.00 0.00 36.38 34.10 2kds s VAL 49 CO 0.03 0.21 1.05 0.21 -3.33 0.00 0.00 175.10 173.28 2kds s ASN 50 N -0.25 5.67 0.56 3.54 3.84 -1.26 -2.15 114.94 124.89 2kds s ASN 50 Ca 0.04 1.15 0.24 0.00 0.21 0.00 0.00 52.86 54.50 2kds s ASN 50 Cb -0.04 -2.04 1.57 0.00 -0.55 0.00 0.00 41.25 40.19 2kds s ASN 50 CO -0.00 -1.18 2.18 0.40 -2.79 0.00 0.00 177.10 175.70 2kds h ILE 51 N -0.51 0.70 -0.91 -5.21 1.08 -1.73 -3.00 117.51 107.94 2kds h ILE 51 Ca -0.45 0.00 0.13 0.00 -0.39 0.00 0.00 64.86 64.15 2kds h ILE 51 Cb 1.24 0.96 -0.07 0.00 -3.07 0.00 0.00 36.82 35.88 2kds h ILE 51 CO 0.63 0.00 0.58 -0.07 -0.69 0.00 0.00 178.15 178.60 2kds h LEU 52 N 0.00 0.74 -7.12 1.44 3.38 -1.92 -3.29 115.31 108.53 2kds h LEU 52 Ca 0.03 0.04 -0.62 0.00 0.09 0.00 0.00 57.88 57.42 2kds h LEU 52 Cb 0.13 -0.11 -0.40 0.00 0.09 0.00 0.00 40.66 40.37 2kds h LEU 52 CO -0.00 0.39 -0.70 -1.00 0.09 0.00 0.00 178.44 177.22 2kds s HIS 53 N -5.76 2.46 -0.12 1.13 3.76 -1.13 -5.07 115.29 110.57 2kds s HIS 53 Ca -0.10 -2.73 0.03 0.00 -0.15 0.00 0.00 55.06 52.10 2kds s HIS 53 Cb 0.22 -2.24 -0.00 0.00 1.11 0.00 0.00 32.58 31.67 2kds s HIS 53 CO 0.79 -0.76 -0.21 -1.17 -0.85 0.00 0.00 174.74 172.54 2kds s LEU 54 N 0.04 2.22 -0.43 0.89 2.96 -1.24 -4.71 118.68 118.40 2kds s LEU 54 Ca 0.18 -0.53 0.02 0.00 -0.22 0.00 0.00 54.13 53.59 2kds s LEU 54 Cb -0.24 -1.46 0.15 0.00 0.50 0.00 0.00 46.19 45.15 2kds s LEU 54 CO -0.01 0.14 0.29 -1.61 -1.32 0.00 0.00 176.35 173.84 2kds s GLU 55 N 0.46 1.04 0.16 1.98 0.41 -1.24 -5.02 118.70 116.49 2kds s GLU 55 Ca -0.15 -1.95 -0.03 0.00 -0.41 0.00 0.00 54.97 52.43 2kds s GLU 55 Cb -0.17 -1.82 -0.05 0.00 -1.78 0.00 0.00 34.13 30.31 2kds s GLU 55 CO 0.06 -1.26 0.38 -1.25 -0.49 0.00 0.00 175.26 172.70 2kds s PRO 56 N 0.32 3.57 0.29 0.39 0.04 -1.26 -0.76 135.00 137.59 2kds s PRO 56 Ca 0.23 -0.19 0.09 0.00 0.04 0.00 0.00 61.00 61.17 2kds s PRO 56 Cb -0.13 -2.85 -0.04 0.00 0.04 0.00 0.00 34.50 31.52 2kds s PRO 56 CO -0.07 0.44 0.06 0.95 0.04 0.00 0.00 177.00 178.42 2kds s THR 57 N -1.74 3.33 -0.76 1.26 -4.23 -1.06 -4.64 115.64 107.81 2kds s THR 57 Ca 0.40 -1.81 -0.26 0.00 -1.18 0.00 0.00 61.69 58.84 2kds s THR 57 Cb -0.12 -2.93 0.02 0.00 1.34 0.00 0.00 72.50 70.82 2kds s THR 57 CO 0.27 -0.30 1.41 -1.81 -0.54 0.00 0.00 174.62 173.64 2kds s ASP 58 N -3.75 6.04 0.00 3.99 1.01 -1.26 -4.62 116.67 118.09 2kds s ASP 58 Ca 0.34 -0.46 0.00 0.00 0.71 0.00 0.00 52.55 53.13 2kds s ASP 58 Cb -0.05 -2.56 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2kds s ASP 58 CO 0.21 -1.90 0.00 1.17 0.21 0.00 0.00 175.17 174.86 2kds n LYS 59 N 9.28 2.78 -2.28 8.23 3.00 -1.26 -5.05 118.16 132.84 2kds n LYS 59 Ca 0.10 0.00 -0.28 0.00 -0.00 0.00 0.00 58.31 58.13 2kds n LYS 59 Cb 0.50 0.00 0.03 0.00 0.00 0.00 0.00 35.03 35.55 2kds n LYS 59 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 2kds s LYS 60 N -0.07 3.09 -0.15 1.64 2.20 -1.26 -4.97 119.74 120.23 2kds s LYS 60 Ca 0.00 0.20 0.02 0.00 -0.36 0.00 0.00 55.97 55.83 2kds s LYS 60 Cb 0.00 -2.22 0.01 0.00 -1.51 0.00 0.00 37.83 34.11 2kds s LYS 60 CO 0.00 -0.66 -0.20 -1.50 -0.36 0.00 0.00 175.35 172.63 2kds s ILE 61 N -3.04 1.93 -0.30 5.43 2.07 -1.26 -3.60 121.20 122.43 2kds s ILE 61 Ca 0.54 -0.89 -0.01 0.00 -1.41 0.00 0.00 60.65 58.88 2kds s ILE 61 Cb -0.11 -1.73 0.19 0.00 0.13 0.00 0.00 42.46 40.94 2kds s ILE 61 CO 0.47 0.52 0.65 -0.62 -1.91 0.00 0.00 174.94 174.06 2kds s ASP 62 N 1.01 -1.34 -0.03 4.50 2.15 -1.19 -4.99 116.67 116.77 2kds s ASP 62 Ca -0.03 0.62 0.03 0.00 0.43 0.00 0.00 52.55 53.60 2kds s ASP 62 Cb -0.15 2.04 0.00 0.00 -0.30 0.00 0.00 42.92 44.51 2kds s ASP 62 CO -0.05 -0.25 -0.12 -0.51 -0.17 0.00 0.00 175.17 174.06 2kds s ILE 63 N 2.86 1.06 0.03 4.11 2.07 -1.26 -4.35 121.20 125.73 2kds s ILE 63 Ca 0.16 -0.51 -0.25 0.00 -1.41 0.00 0.00 60.65 58.65 2kds s ILE 63 Cb -0.13 -0.93 -0.18 0.00 0.13 0.00 0.00 42.46 41.36 2kds s ILE 63 CO -0.21 0.32 1.49 -0.61 -1.91 0.00 0.00 174.94 174.01 2kds h GLN 64 N 6.35 -0.06 0.00 3.50 5.75 -1.96 -3.48 115.11 125.21 2kds h GLN 64 Ca -0.33 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.17 2kds h GLN 64 Cb 1.17 0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.74 2kds h GLN 64 CO 0.48 0.18 0.00 1.17 -2.65 0.00 0.00 178.83 178.02 2kds n LYS 65 N -5.01 0.00 -1.10 1.69 4.81 -1.26 -4.88 118.16 112.41 2kds n LYS 65 Ca -0.08 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.36 2kds n LYS 65 Cb 0.15 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.20 2kds n LYS 65 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 2kds n GLY 66 N 0.00 0.47 3.65 3.14 0.00 -1.26 -4.97 105.19 106.22 2kds n GLY 66 Ca 0.00 -0.94 -0.41 0.00 0.00 0.00 0.00 46.02 44.67 2kds n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kds n ALA 67 N 0.29 0.66 -1.30 4.61 0.00 -1.26 -4.97 120.51 118.53 2kds n ALA 67 Ca 0.00 0.23 -0.30 0.00 0.00 0.00 0.00 53.44 53.37 2kds n ALA 67 Cb 0.10 -2.16 0.12 0.00 0.00 0.00 0.00 19.45 17.50 2kds n ALA 67 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2kds s SER 68 N -0.69 3.95 0.24 0.00 1.04 -1.26 -4.63 113.70 112.34 2kds s SER 68 Ca 0.63 1.51 -0.05 0.00 0.48 0.00 0.00 55.95 58.52 2kds s SER 68 Cb -0.53 -2.21 0.37 0.00 0.10 0.00 0.00 66.02 63.75 2kds s SER 68 CO 0.56 -2.34 1.80 -0.78 0.98 0.00 0.00 173.24 173.46 2kds h ASP 69 N -1.34 0.58 -0.77 7.02 3.58 -1.98 0.43 116.42 123.94 2kds h ASP 69 Ca -0.48 0.05 -0.02 0.00 0.42 0.00 0.00 57.03 57.01 2kds h ASP 69 Cb 1.27 -0.05 -0.04 0.00 1.72 0.00 0.00 39.33 42.23 2kds h ASP 69 CO 0.55 0.33 0.42 -0.33 -2.88 0.00 0.00 179.24 177.33 2kds h GLU 70 N 0.70 1.08 -0.41 0.28 5.08 -2.00 0.16 114.58 119.47 2kds h GLU 70 Ca 0.37 -0.12 -0.11 0.00 -1.00 0.00 0.00 59.36 58.51 2kds h GLU 70 Cb 0.36 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 2kds h GLU 70 CO -0.26 0.79 -0.18 0.93 -1.00 0.00 0.00 179.01 179.30 2kds h GLU 71 N 1.09 0.77 -0.49 2.33 5.08 -1.34 -2.91 114.58 119.11 2kds h GLU 71 Ca 0.27 -0.29 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2kds h GLU 71 Cb 0.03 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.21 2kds h GLU 71 CO -0.04 0.90 0.17 0.28 -1.00 0.00 0.00 179.01 179.31 2kds h VAL 72 N 0.68 1.22 -0.81 3.13 2.07 0.15 -2.08 116.25 120.62 2kds h VAL 72 Ca 0.10 -0.72 0.02 0.00 0.82 0.00 0.00 66.70 66.93 2kds h VAL 72 Cb 0.68 0.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.18 2kds h VAL 72 CO 0.05 0.26 0.53 0.11 0.02 0.00 0.00 177.57 178.54 2kds h LYS 73 N 0.65 1.03 -0.68 1.57 1.57 -0.64 -0.28 116.57 119.79 2kds h LYS 73 Ca 0.16 -0.06 0.02 0.00 -1.87 0.00 0.00 60.65 58.90 2kds h LYS 73 Cb 0.24 -0.23 -0.04 0.00 0.08 0.00 0.00 32.23 32.28 2kds h LYS 73 CO -0.01 0.68 0.43 0.87 -0.57 0.00 0.00 179.45 180.86 2kds h LYS 74 N 1.06 0.83 -0.20 3.15 1.57 -1.29 -1.19 116.57 120.51 2kds h LYS 74 Ca 0.31 -0.05 -0.00 0.00 -1.87 0.00 0.00 60.65 59.03 2kds h LYS 74 Cb -0.08 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.03 2kds h LYS 74 CO -0.08 0.55 0.12 0.87 -0.57 0.00 0.00 179.45 180.34 2kds h LYS 75 N 0.86 0.27 -0.95 3.15 1.57 -0.42 -2.40 116.57 118.64 2kds h LYS 75 Ca 0.27 -0.02 0.15 0.00 -1.87 0.00 0.00 60.65 59.18 2kds h LYS 75 Cb -0.01 -0.06 -0.09 0.00 0.08 0.00 0.00 32.23 32.14 2kds h LYS 75 CO -0.09 0.19 0.56 1.25 -0.57 0.00 0.00 179.45 180.78 2kds h LEU 76 N 0.27 0.75 -1.56 2.94 5.85 0.16 0.84 115.31 124.57 2kds h LEU 76 Ca 0.07 0.08 0.04 0.00 0.84 0.00 0.00 57.88 58.91 2kds h LEU 76 Cb -0.01 -0.06 -0.03 0.00 0.37 0.00 0.00 40.66 40.93 2kds h LEU 76 CO -0.01 0.33 0.35 -0.33 -0.34 0.00 0.00 178.44 178.44 2kds h GLU 77 N 0.80 0.55 -0.30 1.25 5.08 -1.49 0.51 114.58 120.97 2kds h GLU 77 Ca 0.51 -0.03 -0.03 0.00 -1.00 0.00 0.00 59.36 58.81 2kds h GLU 77 Cb 0.67 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.78 2kds h GLU 77 CO -0.33 0.36 0.07 0.93 -1.00 0.00 0.00 179.01 179.04 2kds h GLU 78 N 0.57 0.43 0.00 2.33 5.08 0.58 1.14 114.58 124.71 2kds h GLU 78 Ca 0.22 -0.06 -0.03 0.00 -1.00 0.00 0.00 59.36 58.48 2kds h GLU 78 Cb 0.16 -0.08 -0.00 0.00 0.50 0.00 0.00 28.75 29.32 2kds h GLU 78 CO -0.06 0.40 -0.16 0.66 -1.00 0.00 0.00 179.01 178.85 2kds h SER 79 N 0.43 0.00 -5.09 1.42 4.64 0.75 -3.46 113.55 112.24 2kds h SER 79 Ca 0.10 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.10 2kds h SER 79 Cb 0.17 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 62.39 2kds h SER 79 CO -0.00 0.16 -0.59 0.59 -0.87 0.00 0.00 176.83 176.12 2kds n ASN 80 N -3.78 -4.93 -0.68 4.97 5.03 0.39 -4.91 115.26 111.37 2kds n ASN 80 Ca -0.02 -0.47 0.11 0.00 0.87 0.00 0.00 54.58 55.07 2kds n ASN 80 Cb 0.27 -4.35 0.35 0.00 -1.02 0.00 0.00 39.78 35.03 2kds n ASN 80 CO 0.00 0.00 0.00 0.18 -1.83 0.00 0.00 177.26 175.61 2kds n LEU 81 N -4.17 2.04 -0.37 3.41 4.77 -1.25 -3.68 117.00 117.75 2kds n LEU 81 Ca -0.05 -0.83 0.32 0.00 -0.03 0.00 0.00 56.01 55.42 2kds n LEU 81 Cb 0.57 -0.11 0.64 0.00 -2.33 0.00 0.00 43.42 42.19 2kds n LEU 81 CO 0.54 0.42 1.28 0.74 -1.33 0.00 0.00 177.39 179.03 2kds h THR 82 N 2.78 0.36 0.00 -5.08 2.02 -1.90 -3.33 112.91 107.75 2kds h THR 82 Ca 0.00 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.12 2kds h THR 82 Cb 0.61 0.18 0.00 0.00 -1.74 0.00 0.00 68.15 67.19 2kds h THR 82 CO 0.00 0.03 0.00 1.21 0.37 0.00 0.00 175.52 177.13 2kds n GLU 83 N -4.45 0.00 -0.20 6.66 2.13 -1.26 -4.89 120.64 118.64 2kds n GLU 83 Ca 0.29 0.00 -0.07 0.00 0.66 0.00 0.00 57.16 58.04 2kds n GLU 83 Cb 1.20 0.00 0.03 0.00 0.27 0.00 0.00 31.44 32.93 2kds n GLU 83 CO 0.00 0.00 0.00 -0.92 -0.41 0.00 0.00 177.13 175.80 2kds h TYR 84 N 0.00 0.77 0.00 4.31 3.20 -1.67 -3.44 116.97 120.13 2kds h TYR 84 Ca 0.00 -0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.86 2kds h TYR 84 Cb 0.39 -0.25 0.00 0.00 1.54 0.00 0.00 36.73 38.41 2kds h TYR 84 CO 0.00 0.55 0.00 -1.33 -1.64 0.00 0.00 178.16 175.74 2kds n MET 85 N -4.61 0.00 -3.27 1.82 2.81 -1.26 -4.98 117.12 107.63 2kds n MET 85 Ca 0.03 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.74 2kds n MET 85 Cb 0.08 0.00 0.06 0.00 -0.71 0.00 0.00 33.22 32.64 2kds n MET 85 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 2kds n LYS 86 N 0.00 -5.75 -2.92 0.03 5.02 -1.26 -4.99 118.16 108.28 2kds n LYS 86 Ca 0.00 0.63 -0.19 0.00 -2.02 0.00 0.00 58.31 56.73 2kds n LYS 86 Cb 0.00 -5.05 0.03 0.00 -0.02 0.00 0.00 35.03 29.99 2kds n LYS 86 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 2kds s GLU 87 N -5.92 2.60 -0.17 1.97 -1.05 -1.26 -4.81 118.70 110.06 2kds s GLU 87 Ca 0.42 -1.23 -0.15 0.00 -0.15 0.00 0.00 54.97 53.85 2kds s GLU 87 Cb -0.18 -2.66 -0.04 0.00 -0.44 0.00 0.00 34.13 30.80 2kds s GLU 87 CO 0.52 -0.55 0.35 0.15 0.95 0.00 0.00 175.26 176.68 2kds s LYS 88 N -4.54 4.24 0.16 -4.83 1.02 -1.26 -4.80 119.74 109.73 2kds s LYS 88 Ca 0.58 0.17 -0.10 0.00 0.02 0.00 0.00 55.97 56.64 2kds s LYS 88 Cb -0.09 -3.46 0.02 0.00 -0.52 0.00 0.00 37.83 33.78 2kds s LYS 88 CO 0.36 0.14 1.55 0.82 -0.92 0.00 0.00 175.35 177.30 2kds h ILE 89 N 4.80 1.27 -4.16 2.17 2.04 -1.97 -3.44 117.51 118.22 2kds h ILE 89 Ca -0.40 -1.40 -0.50 0.00 1.00 0.00 0.00 64.86 63.56 2kds h ILE 89 Cb 1.17 1.16 -0.29 0.00 -0.74 0.00 0.00 36.82 38.11 2kds h ILE 89 CO 0.74 0.48 -0.82 -0.54 0.00 0.00 0.00 178.15 178.02 2kds s LYS 90 N -4.63 1.23 -0.05 2.37 1.02 -1.26 -5.12 119.74 113.30 2kds s LYS 90 Ca -0.11 -0.52 0.04 0.00 0.02 0.00 0.00 55.97 55.40 2kds s LYS 90 Cb 0.12 -1.17 -0.00 0.00 -0.52 0.00 0.00 37.83 36.26 2kds s LYS 90 CO 0.87 0.29 -0.17 -1.50 -0.92 0.00 0.00 175.35 173.92 2kds s ILE 91 N -0.26 1.46 0.06 2.17 2.07 -1.26 -5.09 121.20 120.35 2kds s ILE 91 Ca 0.04 -0.72 0.07 0.00 -1.41 0.00 0.00 60.65 58.63 2kds s ILE 91 Cb -0.06 -1.27 -0.03 0.00 0.13 0.00 0.00 42.46 41.23 2kds s ILE 91 CO -0.00 0.42 -0.19 -0.13 -1.91 0.00 0.00 174.94 173.13 2kds s ARG 92 N 0.14 1.16 0.11 3.50 0.52 -1.26 -5.00 118.95 118.11 2kds s ARG 92 Ca -0.06 -0.98 -0.30 0.00 -0.52 0.00 0.00 55.73 53.87 2kds s ARG 92 Cb -0.13 -1.30 -0.10 0.00 0.52 0.00 0.00 34.95 33.95 2kds s ARG 92 CO 0.03 0.32 1.61 1.98 0.02 0.00 0.00 175.30 179.26 2kds h MET 93 N 4.56 -0.59 -0.99 3.54 1.85 -2.01 0.73 114.93 122.02 2kds h MET 93 Ca -0.43 0.04 0.01 0.00 -0.61 0.00 0.00 59.70 58.71 2kds h MET 93 Cb 1.17 0.14 -0.05 0.00 0.43 0.00 0.00 31.60 33.29 2kds h MET 93 CO 0.42 -0.40 0.65 -1.00 -0.40 0.00 0.00 176.91 176.18 2kds h PRO 94 N -0.62 1.31 -0.59 0.39 0.13 -2.06 -2.04 132.00 128.52 2kds h PRO 94 Ca 0.01 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.97 2kds h PRO 94 Cb 0.62 -0.29 -0.02 0.00 0.13 0.00 0.00 31.00 31.43 2kds h PRO 94 CO -0.16 0.87 0.02 1.15 -0.23 0.00 0.00 178.00 179.66 2kds h THR 95 N 1.34 1.26 0.00 1.56 2.02 -1.85 -3.56 112.91 113.69 2kds h THR 95 Ca 0.36 -1.10 0.00 0.00 0.77 0.00 0.00 66.41 66.44 2kds h THR 95 Cb -0.15 0.78 0.00 0.00 -1.74 0.00 0.00 68.15 67.04 2kds h THR 95 CO -0.08 0.40 0.00 -0.11 0.37 0.00 0.00 175.52 176.10