#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kds h ALA 3 N 0.00 1.70 -3.59 0.55 0.00 -2.03 -3.42 119.26 112.48 2kds h ALA 3 Ca 0.00 -0.09 -0.67 0.00 0.00 0.00 0.00 54.91 54.15 2kds h ALA 3 Cb 0.00 -0.02 -0.20 0.00 0.00 0.00 0.00 17.79 17.57 2kds h ALA 3 CO 0.00 0.12 -0.70 0.42 0.00 0.00 0.00 179.25 179.09 2kds s ILE 4 N -4.70 3.65 0.14 0.00 1.01 -1.26 -5.12 121.20 114.92 2kds s ILE 4 Ca -0.04 -0.49 0.08 0.00 0.00 0.00 0.00 60.65 60.20 2kds s ILE 4 Cb 0.16 -2.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2kds s ILE 4 CO 0.65 0.57 -0.07 -1.61 0.00 0.00 0.00 174.94 174.48 2kds s GLU 5 N -0.48 2.18 0.00 2.79 2.02 -1.26 -5.03 118.70 118.92 2kds s GLU 5 Ca 0.07 -1.11 0.00 0.00 0.02 0.00 0.00 54.97 53.95 2kds s GLU 5 Cb -0.12 -2.28 0.00 0.00 0.10 0.00 0.00 34.13 31.83 2kds s GLU 5 CO 0.02 0.47 0.00 0.28 0.02 0.00 0.00 175.26 176.05 2kds n VAL 6 N 0.30 -0.32 -1.49 2.63 0.31 -1.26 -4.97 118.33 113.52 2kds n VAL 6 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.21 2kds n VAL 6 Cb 0.54 -0.32 0.00 0.00 -0.91 0.00 0.00 33.84 33.15 2kds n VAL 6 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2kds n GLY 7 N 2.15 0.60 2.81 2.92 0.00 0.15 -4.64 105.19 109.18 2kds n GLY 7 Ca 0.00 -0.78 -0.12 0.00 0.00 0.00 0.00 46.02 45.12 2kds n GLY 7 CO 0.00 0.00 0.00 -0.96 0.00 0.00 0.00 173.32 172.36 2kds n ARG 8 N -1.40 0.60 -3.87 1.61 1.85 -1.25 -3.61 116.66 110.59 2kds n ARG 8 Ca 0.00 -2.31 -0.36 0.00 -1.00 0.00 0.00 57.85 54.18 2kds n ARG 8 Cb 0.33 2.24 -0.06 0.00 -1.05 0.00 0.00 32.46 33.92 2kds n ARG 8 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 2kds s ILE 9 N -2.73 5.48 0.21 8.89 1.01 -1.26 -1.99 121.20 130.81 2kds s ILE 9 Ca 0.24 0.17 0.11 0.00 0.00 0.00 0.00 60.65 61.17 2kds s ILE 9 Cb -0.01 -3.43 -0.05 0.00 0.01 0.00 0.00 42.46 38.98 2kds s ILE 9 CO 0.17 0.57 -0.21 0.00 0.00 0.00 0.00 174.94 175.47 2kds s VAL 11 N -2.05 1.56 -0.18 0.00 1.01 -0.94 -0.45 120.40 119.34 2kds s VAL 11 Ca 0.22 -0.80 -0.19 0.00 0.00 0.00 0.00 61.98 61.21 2kds s VAL 11 Cb -0.06 -1.33 -0.03 0.00 0.00 0.00 0.00 36.38 34.96 2kds s VAL 11 CO 0.10 0.44 0.53 -0.54 0.00 0.00 0.00 175.10 175.64 2kds s LYS 12 N -0.10 4.23 -0.16 2.72 1.02 -0.65 -4.30 119.74 122.49 2kds s LYS 12 Ca -0.01 0.47 -0.00 0.00 0.02 0.00 0.00 55.97 56.44 2kds s LYS 12 Cb -0.11 -3.53 -0.00 0.00 -0.52 0.00 0.00 37.83 33.67 2kds s LYS 12 CO 0.02 -0.09 -0.14 0.08 -0.92 0.00 0.00 175.35 174.29 2kds s VAL 13 N 1.44 2.69 0.05 3.17 1.01 -1.26 -4.03 120.40 123.47 2kds s VAL 13 Ca 0.26 -0.76 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2kds s VAL 13 Cb -0.15 -2.14 0.00 0.00 0.00 0.00 0.00 36.38 34.08 2kds s VAL 13 CO 0.10 0.51 0.19 -0.54 0.00 0.00 0.00 175.10 175.36 2kds s LYS 14 N 0.93 0.73 0.83 2.72 1.02 -1.26 -5.02 119.74 119.69 2kds s LYS 14 Ca -0.03 -0.72 -0.09 0.00 0.02 0.00 0.00 55.97 55.16 2kds s LYS 14 Cb -0.15 0.30 0.15 0.00 -0.52 0.00 0.00 37.83 37.61 2kds s LYS 14 CO -0.02 -0.21 1.15 0.20 -0.92 0.00 0.00 175.35 175.54 2kds s GLY 15 N -2.29 1.76 0.00 -3.33 0.00 -1.26 -4.36 107.32 97.84 2kds s GLY 15 Ca -0.02 -1.36 0.00 0.00 0.00 0.00 0.00 44.72 43.34 2kds s GLY 15 CO -0.06 -0.73 0.00 0.54 0.00 0.00 0.00 173.10 172.86 2kds n ARG 16 N -3.27 -0.15 0.00 2.90 1.74 -1.26 -4.63 116.66 111.99 2kds n ARG 16 Ca 0.14 0.30 0.00 0.00 -0.77 0.00 0.00 57.85 57.52 2kds n ARG 16 Cb 0.60 -0.35 0.00 0.00 -1.02 0.00 0.00 32.46 31.69 2kds n ARG 16 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 2kds n GLU 17 N 0.90 0.00 0.00 5.56 4.07 -1.26 -5.14 120.64 124.77 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 0.16 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.54 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 1.59 0.00 0.00 4.31 0.00 -1.26 -4.11 120.51 121.04 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 -2.06 3.46 0.00 0.00 -1.26 -4.85 105.19 100.48 2kds n GLY 19 Ca 0.00 0.99 -0.12 0.00 0.00 0.00 0.00 46.02 46.90 2kds n GLY 19 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2kds s SER 20 N 0.00 -0.65 0.02 1.61 0.01 -1.26 -3.73 113.70 109.70 2kds s SER 20 Ca 0.00 1.16 -0.05 0.00 1.31 0.00 0.00 55.95 58.37 2kds s SER 20 Cb 0.00 1.12 -0.05 0.00 0.21 0.00 0.00 66.02 67.30 2kds s SER 20 CO 0.00 -0.20 0.24 -0.54 0.41 0.00 0.00 173.24 173.15 2kds s LYS 21 N 0.81 3.53 0.15 12.44 1.02 -1.26 -1.64 119.74 134.78 2kds s LYS 21 Ca -0.04 -0.18 0.02 0.00 0.02 0.00 0.00 55.97 55.79 2kds s LYS 21 Cb -0.05 -3.06 -0.04 0.00 -0.52 0.00 0.00 37.83 34.15 2kds s LYS 21 CO -0.06 0.64 -0.03 0.00 -0.92 0.00 0.00 175.35 174.98 2kds s VAL 23 N -3.60 3.05 -0.15 0.00 1.01 0.29 0.06 120.40 121.06 2kds s VAL 23 Ca 0.20 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.36 2kds s VAL 23 Cb 0.05 -2.23 -0.05 0.00 0.00 0.00 0.00 36.38 34.16 2kds s VAL 23 CO 0.01 0.56 0.25 -0.63 0.00 0.00 0.00 175.10 175.29 2kds s ILE 24 N -0.23 5.33 -0.41 2.22 1.01 -0.84 0.12 121.20 128.40 2kds s ILE 24 Ca 0.01 0.45 0.08 0.00 0.00 0.00 0.00 60.65 61.18 2kds s ILE 24 Cb -0.13 -3.57 0.25 0.00 0.01 0.00 0.00 42.46 39.01 2kds s ILE 24 CO 0.03 0.45 0.59 0.52 0.00 0.00 0.00 174.94 176.52 2kds n VAL 25 N 3.21 -0.57 0.00 2.92 0.31 -0.52 0.33 118.33 124.01 2kds n VAL 25 Ca -0.14 -3.53 0.00 0.00 -0.01 0.00 0.00 64.34 60.66 2kds n VAL 25 Cb 0.52 -1.30 0.00 0.00 -0.91 0.00 0.00 33.84 32.15 2kds n VAL 25 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 2kds n ASP 26 N 1.47 0.00 -4.16 4.52 2.03 -1.26 -3.97 116.55 115.18 2kds n ASP 26 Ca 0.19 0.00 -0.34 0.00 0.52 0.00 0.00 54.79 55.16 2kds n ASP 26 Cb 0.55 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.80 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 -1.81 2.59 0.00 5.18 1.01 -1.26 -2.86 121.20 124.05 2kds s ILE 27 Ca 0.00 -1.10 0.00 0.00 0.00 0.00 0.00 60.65 59.55 2kds s ILE 27 Cb 0.00 -2.30 0.00 0.00 0.01 0.00 0.00 42.46 40.17 2kds s ILE 27 CO 0.00 0.24 0.00 -0.38 0.00 0.00 0.00 174.94 174.80 2kds n ILE 28 N 4.62 0.00 -3.75 2.92 5.41 -0.88 -4.99 119.36 122.69 2kds n ILE 28 Ca -0.17 0.00 -0.23 0.00 1.00 0.00 0.00 62.75 63.35 2kds n ILE 28 Cb 0.47 -0.81 -0.03 0.00 -0.71 0.00 0.00 39.64 38.56 2kds n ILE 28 CO 0.00 0.00 0.00 -1.81 0.00 0.00 0.00 176.55 174.74 2kds s ASP 29 N -1.00 4.82 0.27 4.38 1.01 -1.04 -4.96 116.67 120.16 2kds s ASP 29 Ca 0.00 -0.92 -0.00 0.00 0.71 0.00 0.00 52.55 52.33 2kds s ASP 29 Cb 0.00 -0.34 0.49 0.00 1.01 0.00 0.00 42.92 44.08 2kds s ASP 29 CO 0.00 -0.73 1.85 0.44 0.21 0.00 0.00 175.17 176.94 2kds h ASP 30 N 1.05 0.95 -0.02 0.27 3.32 -2.04 -2.64 116.42 117.30 2kds h ASP 30 Ca -0.41 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2kds h ASP 30 Cb 1.27 -0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.66 2kds h ASP 30 CO 0.60 0.55 -0.08 0.59 -1.72 0.00 0.00 179.24 179.17 2kds n ASN 31 N -4.58 2.57 -4.35 6.45 5.03 -1.26 -4.97 115.26 114.15 2kds n ASN 31 Ca 0.17 -1.78 -0.31 0.00 0.87 0.00 0.00 54.58 53.53 2kds n ASN 31 Cb 0.29 0.10 -0.15 0.00 -1.02 0.00 0.00 39.78 38.99 2kds n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.83 0.00 0.00 177.26 175.07 2kds s PHE 32 N -1.84 2.39 0.19 3.10 0.08 -1.00 -1.80 117.98 119.10 2kds s PHE 32 Ca 0.23 -0.39 0.06 0.00 0.12 0.00 0.00 56.93 56.95 2kds s PHE 32 Cb 0.17 -1.49 -0.05 0.00 -0.57 0.00 0.00 43.02 41.08 2kds s PHE 32 CO 0.31 0.04 -0.10 0.14 -0.10 0.00 0.00 175.22 175.51 2kds s VAL 33 N -0.68 1.39 -0.14 -0.44 -7.23 -0.99 -2.06 120.40 110.25 2kds s VAL 33 Ca 0.11 -2.12 -0.09 0.00 -1.81 0.00 0.00 61.98 58.07 2kds s VAL 33 Cb -0.10 -2.03 -0.04 0.00 0.56 0.00 0.00 36.38 34.76 2kds s VAL 33 CO 0.00 -0.60 0.16 -0.22 -0.31 0.00 0.00 175.10 174.13 2kds s LEU 34 N -3.26 4.32 0.09 1.32 0.20 -1.14 -2.05 118.68 118.17 2kds s LEU 34 Ca 0.21 0.41 0.07 0.00 0.69 0.00 0.00 54.13 55.51 2kds s LEU 34 Cb 0.02 -2.12 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 2kds s LEU 34 CO 0.05 0.31 -0.17 0.68 -0.29 0.00 0.00 176.35 176.93 2kds s VAL 35 N -0.48 1.40 0.04 1.68 -7.23 0.21 -1.44 120.40 114.58 2kds s VAL 35 Ca 0.13 -1.45 -0.05 0.00 -1.81 0.00 0.00 61.98 58.81 2kds s VAL 35 Cb -0.12 -1.33 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2kds s VAL 35 CO 0.02 -0.17 0.07 0.28 -0.31 0.00 0.00 175.10 175.00 2kds s THR 36 N -1.30 0.14 0.22 5.32 -1.32 0.12 0.41 115.64 119.23 2kds s THR 36 Ca 0.03 -1.16 -0.16 0.00 -1.21 0.00 0.00 61.69 59.19 2kds s THR 36 Cb -0.10 -0.91 0.02 0.00 -1.51 0.00 0.00 72.50 70.00 2kds s THR 36 CO 0.03 -0.64 0.53 -0.83 -2.21 0.00 0.00 174.62 171.50 2kds s GLY 37 N -2.16 0.12 0.11 6.08 0.00 -1.07 0.10 107.32 110.50 2kds s GLY 37 Ca -0.04 -0.46 -0.31 0.00 0.00 0.00 0.00 44.72 43.90 2kds s GLY 37 CO -0.05 -0.37 1.86 -1.55 0.00 0.00 0.00 173.10 172.99 2kds n PRO 38 N -0.36 2.80 -0.24 2.90 -0.04 -1.26 -4.30 135.00 134.49 2kds n PRO 38 Ca -0.06 1.02 -0.06 0.00 -0.04 0.00 0.00 63.50 64.36 2kds n PRO 38 Cb 0.62 -2.92 0.05 0.00 -0.04 0.00 0.00 33.50 31.20 2kds n PRO 38 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 2kds h LYS 39 N 8.83 0.89 -0.59 0.54 1.57 -1.89 -1.89 116.57 124.02 2kds h LYS 39 Ca -0.47 -0.07 -0.09 0.00 -1.87 0.00 0.00 60.65 58.16 2kds h LYS 39 Cb 1.23 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 33.32 2kds h LYS 39 CO 0.95 0.61 0.03 -0.44 -0.57 0.00 0.00 179.45 180.03 2kds h ASP 40 N 0.90 1.00 0.00 0.86 3.32 -1.91 -3.15 116.42 117.44 2kds h ASP 40 Ca 0.24 -0.29 0.00 0.00 0.02 0.00 0.00 57.03 57.00 2kds h ASP 40 Cb -0.06 -0.27 0.00 0.00 0.22 0.00 0.00 39.33 39.22 2kds h ASP 40 CO -0.05 1.04 0.00 -0.38 -1.72 0.00 0.00 179.24 178.14 2kds n ILE 41 N -4.24 0.00 -0.16 0.35 5.41 -1.17 -4.62 119.36 114.93 2kds n ILE 41 Ca 0.03 0.18 0.01 0.00 1.00 0.00 0.00 62.75 63.97 2kds n ILE 41 Cb 0.32 -1.06 0.29 0.00 -0.71 0.00 0.00 39.64 38.48 2kds n ILE 41 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 176.55 177.29 2kds h THR 42 N 0.00 1.17 0.00 1.39 2.02 -1.73 -3.44 112.91 112.32 2kds h THR 42 Ca 0.00 -0.33 0.00 0.00 0.77 0.00 0.00 66.41 66.85 2kds h THR 42 Cb 0.00 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.62 2kds h THR 42 CO 0.00 0.17 0.00 0.61 0.37 0.00 0.00 175.52 176.67 2kds n GLY 43 N -1.41 0.45 3.74 2.16 0.00 -0.74 -4.91 105.19 104.48 2kds n GLY 43 Ca 0.07 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.17 5.15 0.00 1.61 -7.23 -1.25 -4.85 120.40 111.65 2kds s VAL 44 Ca 0.00 0.97 0.00 0.00 -1.81 0.00 0.00 61.98 61.14 2kds s VAL 44 Cb 0.00 -3.82 0.00 0.00 0.56 0.00 0.00 36.38 33.12 2kds s VAL 44 CO 0.00 0.36 0.00 1.17 -0.31 0.00 0.00 175.10 176.32 2kds n LYS 45 N 3.43 0.00 -3.67 4.82 4.81 -1.26 -2.78 118.16 123.50 2kds n LYS 45 Ca -0.08 0.05 -0.09 0.00 -0.87 0.00 0.00 58.31 57.32 2kds n LYS 45 Cb 0.52 -0.36 -0.10 0.00 0.02 0.00 0.00 35.03 35.11 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 -0.18 0.35 0.24 1.64 3.52 -1.26 -2.59 118.95 120.68 2kds s ARG 46 Ca 0.00 0.94 -0.20 0.00 -0.13 0.00 0.00 55.73 56.33 2kds s ARG 46 Cb 0.00 0.18 0.03 0.00 -1.56 0.00 0.00 34.95 33.60 2kds s ARG 46 CO 0.00 -0.21 0.65 -0.98 -0.81 0.00 0.00 175.30 173.94 2kds s ARG 47 N 2.13 1.60 0.01 5.12 1.70 0.17 -4.94 118.95 124.72 2kds s ARG 47 Ca -0.05 -0.87 -0.09 0.00 -0.47 0.00 0.00 55.73 54.25 2kds s ARG 47 Cb -0.10 0.58 -0.05 0.00 -0.57 0.00 0.00 34.95 34.81 2kds s ARG 47 CO -0.13 -0.71 0.31 1.03 -1.08 0.00 0.00 175.30 174.72 2kds s ARG 48 N -3.88 3.67 0.01 3.89 0.52 -1.26 0.63 118.95 122.53 2kds s ARG 48 Ca 0.09 0.07 0.03 0.00 -0.52 0.00 0.00 55.73 55.40 2kds s ARG 48 Cb -0.04 -3.10 -0.01 0.00 0.52 0.00 0.00 34.95 32.32 2kds s ARG 48 CO 0.01 0.65 -0.10 0.54 0.02 0.00 0.00 175.30 176.42 2kds s VAL 49 N -1.25 0.77 0.47 3.52 0.11 -0.87 -4.94 120.40 118.21 2kds s VAL 49 Ca 0.27 -0.64 -0.01 0.00 -2.93 0.00 0.00 61.98 58.66 2kds s VAL 49 Cb -0.14 -0.69 -0.00 0.00 -1.53 0.00 0.00 36.38 34.02 2kds s VAL 49 CO 0.15 0.05 0.71 0.54 -3.33 0.00 0.00 175.10 173.22 2kds s ASN 50 N -0.66 5.83 0.59 3.54 4.22 -1.26 -2.34 114.94 124.85 2kds s ASN 50 Ca 0.01 0.39 0.31 0.00 -2.14 0.00 0.00 52.86 51.43 2kds s ASN 50 Cb -0.06 -1.61 1.86 0.00 1.28 0.00 0.00 41.25 42.72 2kds s ASN 50 CO 0.00 -0.74 2.26 0.40 -2.04 0.00 0.00 177.10 176.98 2kds h ILE 51 N 0.31 0.48 -0.59 0.54 2.04 -1.73 -2.73 117.51 115.84 2kds h ILE 51 Ca -0.46 -0.04 0.15 0.00 1.00 0.00 0.00 64.86 65.50 2kds h ILE 51 Cb 1.25 1.03 -0.03 0.00 -0.74 0.00 0.00 36.82 38.33 2kds h ILE 51 CO 0.58 0.01 0.41 -0.07 0.00 0.00 0.00 178.15 179.08 2kds h LEU 52 N 0.00 0.13 -7.49 1.44 3.38 -1.93 -3.08 115.31 107.76 2kds h LEU 52 Ca -0.00 0.01 -0.66 0.00 0.09 0.00 0.00 57.88 57.32 2kds h LEU 52 Cb 0.03 -0.02 -0.39 0.00 0.09 0.00 0.00 40.66 40.36 2kds h LEU 52 CO 0.00 0.07 -0.59 -1.00 0.09 0.00 0.00 178.44 177.01 2kds s HIS 53 N -5.15 3.35 -0.13 1.13 3.76 -1.03 -5.07 115.29 112.15 2kds s HIS 53 Ca -0.06 -3.02 -0.00 0.00 -0.15 0.00 0.00 55.06 51.83 2kds s HIS 53 Cb 0.20 -2.94 -0.01 0.00 1.11 0.00 0.00 32.58 30.94 2kds s HIS 53 CO 0.74 -0.81 -0.13 -1.17 -0.85 0.00 0.00 174.74 172.53 2kds s LEU 54 N 0.03 2.73 -0.33 0.89 0.20 -1.17 -4.79 118.68 116.25 2kds s LEU 54 Ca 0.16 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.64 2kds s LEU 54 Cb -0.23 -1.62 0.13 0.00 -0.43 0.00 0.00 46.19 44.03 2kds s LEU 54 CO -0.02 0.16 0.20 -0.70 -0.29 0.00 0.00 176.35 175.69 2kds s GLU 55 N 0.40 0.42 0.14 1.98 -6.30 -1.26 -5.01 118.70 109.07 2kds s GLU 55 Ca -0.10 -0.97 -0.09 0.00 -2.50 0.00 0.00 54.97 51.31 2kds s GLU 55 Cb -0.16 -1.18 -0.06 0.00 0.00 0.00 0.00 34.13 32.73 2kds s GLU 55 CO 0.05 -1.14 0.45 -1.25 0.02 0.00 0.00 175.26 173.39 2kds s PRO 56 N 1.51 3.76 0.30 4.30 0.04 -1.26 -2.22 135.00 141.43 2kds s PRO 56 Ca 0.14 0.17 0.11 0.00 0.04 0.00 0.00 61.00 61.47 2kds s PRO 56 Cb -0.20 -2.87 -0.06 0.00 0.04 0.00 0.00 34.50 31.42 2kds s PRO 56 CO -0.14 0.47 -0.16 0.95 0.04 0.00 0.00 177.00 178.16 2kds s THR 57 N -1.57 2.36 0.15 1.26 -4.23 -0.89 -4.95 115.64 107.76 2kds s THR 57 Ca 0.39 -2.33 -0.30 0.00 -1.18 0.00 0.00 61.69 58.27 2kds s THR 57 Cb -0.13 -2.42 -0.07 0.00 1.34 0.00 0.00 72.50 71.22 2kds s THR 57 CO 0.21 -0.33 1.00 1.51 -0.54 0.00 0.00 174.62 176.46 2kds s ASP 58 N -3.54 7.45 0.05 3.99 1.47 -1.26 -4.68 116.67 120.15 2kds s ASP 58 Ca 0.31 1.90 -0.11 0.00 1.18 0.00 0.00 52.55 55.83 2kds s ASP 58 Cb -0.02 -2.60 0.04 0.00 -0.34 0.00 0.00 42.92 40.00 2kds s ASP 58 CO 0.15 -0.09 0.52 1.17 0.68 0.00 0.00 175.17 177.61 2kds n LYS 59 N 2.51 0.22 -2.72 2.11 4.81 -1.26 -4.89 118.16 118.94 2kds n LYS 59 Ca 0.02 -0.56 -0.32 0.00 -0.87 0.00 0.00 58.31 56.58 2kds n LYS 59 Cb 0.48 0.80 -0.04 0.00 0.02 0.00 0.00 35.03 36.29 2kds n LYS 59 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 2kds s LYS 60 N -2.02 3.95 -0.42 1.64 2.20 -1.26 -5.02 119.74 118.82 2kds s LYS 60 Ca 0.12 0.79 0.03 0.00 -0.36 0.00 0.00 55.97 56.55 2kds s LYS 60 Cb -0.01 -2.27 0.16 0.00 -1.51 0.00 0.00 37.83 34.20 2kds s LYS 60 CO 0.02 -0.09 0.31 0.96 -0.36 0.00 0.00 175.35 176.19 2kds s ILE 61 N -2.37 0.53 -0.36 5.43 -4.36 -1.24 -3.96 121.20 114.87 2kds s ILE 61 Ca 0.56 -2.54 0.02 0.00 -0.26 0.00 0.00 60.65 58.44 2kds s ILE 61 Cb -0.10 -1.38 0.15 0.00 1.25 0.00 0.00 42.46 42.38 2kds s ILE 61 CO 0.26 -1.15 0.34 -0.62 0.24 0.00 0.00 174.94 174.02 2kds s ASP 62 N 0.21 1.50 0.19 4.36 2.15 -1.26 -4.93 116.67 118.89 2kds s ASP 62 Ca 0.28 -1.55 0.04 0.00 0.43 0.00 0.00 52.55 51.76 2kds s ASP 62 Cb -0.05 0.42 -0.05 0.00 -0.30 0.00 0.00 42.92 42.94 2kds s ASP 62 CO -0.14 -0.29 -0.06 0.27 -0.17 0.00 0.00 175.17 174.79 2kds s ILE 63 N 1.52 1.19 0.00 4.11 -0.00 -1.26 -5.04 121.20 121.71 2kds s ILE 63 Ca 0.16 -2.07 0.00 0.00 -0.00 0.00 0.00 60.65 58.74 2kds s ILE 63 Cb -0.16 -2.11 0.00 0.00 -0.00 0.00 0.00 42.46 40.19 2kds s ILE 63 CO -0.07 -0.53 0.00 1.67 -0.00 0.00 0.00 174.94 176.01 2kds n GLN 64 N -0.33 0.00 -3.65 0.37 7.27 -1.26 -5.04 117.38 114.75 2kds n GLN 64 Ca -0.08 0.00 -0.01 0.00 0.07 0.00 0.00 57.00 56.99 2kds n GLN 64 Cb 0.62 0.00 -0.06 0.00 2.41 0.00 0.00 30.24 33.21 2kds n GLN 64 CO 0.00 0.00 0.00 0.21 0.07 0.00 0.00 177.06 177.34 2kds s LYS 65 N 0.00 0.23 0.00 3.69 2.20 -1.26 -4.91 119.74 119.69 2kds s LYS 65 Ca 0.00 0.37 0.00 0.00 -0.36 0.00 0.00 55.97 55.98 2kds s LYS 65 Cb 0.00 0.06 0.00 0.00 -1.51 0.00 0.00 37.83 36.38 2kds s LYS 65 CO 0.00 -0.04 0.00 0.41 -0.36 0.00 0.00 175.35 175.36 2kds n GLY 66 N 3.19 0.45 3.65 5.54 0.00 -1.25 -4.99 105.19 111.78 2kds n GLY 66 Ca -0.17 -0.79 -0.40 0.00 0.00 0.00 0.00 46.02 44.66 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 0.77 0.66 -1.07 4.61 0.00 -1.26 -4.97 120.51 119.24 2kds n ALA 67 Ca 0.00 0.18 -0.29 0.00 0.00 0.00 0.00 53.44 53.33 2kds n ALA 67 Cb 0.00 -2.17 0.19 0.00 0.00 0.00 0.00 19.45 17.47 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 -0.80 2.38 0.13 0.00 1.04 -1.26 -4.41 113.70 110.79 2kds s SER 68 Ca 0.66 1.25 -0.18 0.00 0.48 0.00 0.00 55.95 58.16 2kds s SER 68 Cb -0.50 -1.94 -0.02 0.00 0.10 0.00 0.00 66.02 63.66 2kds s SER 68 CO 0.54 -3.29 1.77 0.44 0.98 0.00 0.00 173.24 173.69 2kds h ASP 69 N -2.00 0.23 -0.65 7.02 3.32 -1.97 2.13 116.42 124.50 2kds h ASP 69 Ca -0.55 0.01 -0.04 0.00 0.02 0.00 0.00 57.03 56.46 2kds h ASP 69 Cb 1.33 -0.04 -0.03 0.00 0.22 0.00 0.00 39.33 40.81 2kds h ASP 69 CO 0.56 0.17 0.24 -0.08 -1.72 0.00 0.00 179.24 178.42 2kds h GLU 70 N 0.30 0.98 -0.41 3.56 4.81 -2.00 0.11 114.58 121.93 2kds h GLU 70 Ca 0.11 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.08 2kds h GLU 70 Cb 0.01 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.22 2kds h GLU 70 CO -0.06 0.83 -0.02 0.93 -0.73 0.00 0.00 179.01 179.97 2kds h GLU 71 N 0.92 0.68 -0.86 1.92 5.08 -1.74 -1.91 114.58 118.67 2kds h GLU 71 Ca 0.21 -0.17 -0.03 0.00 -1.00 0.00 0.00 59.36 58.37 2kds h GLU 71 Cb 0.23 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 29.36 2kds h GLU 71 CO -0.01 0.71 0.43 0.28 -1.00 0.00 0.00 179.01 179.41 2kds h VAL 72 N 0.64 1.26 -0.94 3.13 2.07 0.48 -1.65 116.25 121.23 2kds h VAL 72 Ca 0.13 -0.71 0.02 0.00 0.82 0.00 0.00 66.70 66.96 2kds h VAL 72 Cb 0.42 0.14 -0.05 0.00 -1.52 0.00 0.00 31.29 30.28 2kds h VAL 72 CO 0.02 0.31 0.62 0.11 0.02 0.00 0.00 177.57 178.65 2kds h LYS 73 N 1.22 1.21 -0.68 1.57 1.57 -0.05 0.18 116.57 121.59 2kds h LYS 73 Ca 0.30 -0.07 0.00 0.00 -1.87 0.00 0.00 60.65 59.01 2kds h LYS 73 Cb 0.09 -0.27 -0.03 0.00 0.08 0.00 0.00 32.23 32.10 2kds h LYS 73 CO -0.04 0.80 0.44 0.87 -0.57 0.00 0.00 179.45 180.95 2kds h LYS 74 N 1.25 0.91 -0.35 3.15 1.57 -0.90 -1.01 116.57 121.18 2kds h LYS 74 Ca 0.36 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 59.03 2kds h LYS 74 Cb -0.10 -0.20 -0.02 0.00 0.08 0.00 0.00 32.23 32.00 2kds h LYS 74 CO -0.09 0.62 0.03 0.87 -0.57 0.00 0.00 179.45 180.30 2kds h LYS 75 N 0.92 0.54 -0.74 3.15 6.56 -0.89 -2.80 116.57 123.31 2kds h LYS 75 Ca 0.25 -0.11 0.04 0.00 -1.06 0.00 0.00 60.65 59.77 2kds h LYS 75 Cb -0.08 -0.08 -0.05 0.00 -0.57 0.00 0.00 32.23 31.45 2kds h LYS 75 CO -0.05 0.54 0.46 1.25 -2.06 0.00 0.00 179.45 179.59 2kds h LEU 76 N 0.52 0.74 -1.89 2.94 6.46 0.66 -0.93 115.31 123.82 2kds h LEU 76 Ca 0.11 0.01 0.02 0.00 -0.12 0.00 0.00 57.88 57.90 2kds h LEU 76 Cb 0.30 -0.15 -0.01 0.00 -0.73 0.00 0.00 40.66 40.07 2kds h LEU 76 CO 0.01 0.50 0.13 -0.33 -0.62 0.00 0.00 178.44 178.12 2kds h GLU 77 N 0.87 0.15 -0.81 1.25 5.08 -1.18 0.42 114.58 120.37 2kds h GLU 77 Ca 0.30 -0.01 0.20 0.00 -1.00 0.00 0.00 59.36 58.86 2kds h GLU 77 Cb 0.06 -0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.23 2kds h GLU 77 CO -0.13 0.10 0.56 1.49 -1.00 0.00 0.00 179.01 180.02 2kds h GLU 78 N 0.15 0.20 0.00 2.33 4.57 -1.20 0.50 114.58 121.12 2kds h GLU 78 Ca 0.08 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kds h GLU 78 Cb 0.13 -0.04 0.00 0.00 -0.16 0.00 0.00 28.75 28.67 2kds h GLU 78 CO -0.01 0.13 0.00 0.77 -1.18 0.00 0.00 179.01 178.72 2kds h SER 79 N 0.20 0.00 -3.77 1.04 0.02 -0.19 -3.46 113.55 107.40 2kds h SER 79 Ca 0.40 0.00 -0.16 0.00 -0.84 0.00 0.00 61.79 61.19 2kds h SER 79 Cb 1.26 0.00 0.08 0.00 0.14 0.00 0.00 62.40 63.88 2kds h SER 79 CO -0.08 0.00 -0.37 0.59 -1.14 0.00 0.00 176.83 175.83 2kds n ASN 80 N -2.83 -2.10 0.22 3.07 5.03 0.17 -4.92 115.26 113.91 2kds n ASN 80 Ca -0.02 -0.30 0.07 0.00 0.87 0.00 0.00 54.58 55.20 2kds n ASN 80 Cb 0.12 -2.72 0.53 0.00 -1.02 0.00 0.00 39.78 36.68 2kds n ASN 80 CO 0.00 0.00 0.00 0.17 -1.83 0.00 0.00 177.26 175.60 2kds h LEU 81 N -0.90 0.00 -1.32 3.41 -0.00 -1.82 -3.14 115.31 111.54 2kds h LEU 81 Ca -0.28 0.00 0.42 0.00 -0.00 0.00 0.00 57.88 58.02 2kds h LEU 81 Cb 1.16 0.00 -0.14 0.00 -0.00 0.00 0.00 40.66 41.69 2kds h LEU 81 CO 0.24 0.22 0.79 0.74 -0.00 0.00 0.00 178.44 180.43 2kds h THR 82 N 0.00 0.12 0.00 0.15 2.02 -1.92 -3.32 112.91 109.95 2kds h THR 82 Ca -0.00 -0.03 0.00 0.00 0.77 0.00 0.00 66.41 67.15 2kds h THR 82 Cb 0.44 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2kds h THR 82 CO 0.03 0.02 0.00 1.21 0.37 0.00 0.00 175.52 177.15 2kds n GLU 83 N -4.79 1.13 -0.27 6.66 2.13 -1.25 -4.86 120.64 119.39 2kds n GLU 83 Ca 0.37 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 58.17 2kds n GLU 83 Cb 1.38 -0.09 0.17 0.00 0.27 0.00 0.00 31.44 33.17 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 1.08 0.00 4.31 3.20 -1.68 -3.43 116.97 120.45 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 0.00 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 37.92 2kds h TYR 84 CO 0.00 0.73 0.00 -1.33 -1.64 0.00 0.00 178.16 175.92 2kds n MET 85 N -4.37 0.00 -2.07 1.82 2.81 -1.25 -4.91 117.12 109.16 2kds n MET 85 Ca 0.09 0.00 -0.15 0.00 -1.81 0.00 0.00 57.70 55.83 2kds n MET 85 Cb 0.07 0.00 -0.03 0.00 -0.71 0.00 0.00 33.22 32.56 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 -1.80 -0.17 0.03 5.02 -1.26 -4.87 118.16 115.11 2kds n LYS 86 Ca 0.00 0.78 -0.07 0.00 -2.02 0.00 0.00 58.31 57.00 2kds n LYS 86 Cb 0.00 -5.28 0.08 0.00 -0.02 0.00 0.00 35.03 29.81 2kds n LYS 86 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 2kds h GLU 87 N 0.00 0.95 -7.03 1.97 4.39 -1.94 -3.47 114.58 109.46 2kds h GLU 87 Ca -0.34 -0.29 -0.52 0.00 0.34 0.00 0.00 59.36 58.55 2kds h GLU 87 Cb 1.16 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 2kds h GLU 87 CO 0.43 0.95 -0.87 1.17 -1.16 0.00 0.00 179.01 179.53 2kds n LYS 88 N -4.18 -0.34 0.02 2.33 4.81 -1.26 -4.80 118.16 114.74 2kds n LYS 88 Ca 0.03 -0.01 -0.00 0.00 -0.87 0.00 0.00 58.31 57.45 2kds n LYS 88 Cb 0.34 -1.93 0.29 0.00 0.02 0.00 0.00 35.03 33.75 2kds n LYS 88 CO 0.00 0.00 0.00 0.82 1.17 0.00 0.00 177.40 179.39 2kds h ILE 89 N -1.79 1.21 -0.74 3.15 2.04 -1.88 -2.88 117.51 116.62 2kds h ILE 89 Ca -0.61 -0.87 0.21 0.00 1.00 0.00 0.00 64.86 64.59 2kds h ILE 89 Cb 1.20 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2kds h ILE 89 CO 0.44 0.29 0.54 0.11 0.00 0.00 0.00 178.15 179.53 2kds h LYS 90 N 0.44 0.00 0.00 2.37 1.57 -1.87 1.38 116.57 120.46 2kds h LYS 90 Ca 0.09 0.00 -0.02 0.00 -1.87 0.00 0.00 60.65 58.85 2kds h LYS 90 Cb 0.40 0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.71 2kds h LYS 90 CO 0.02 0.00 -0.09 0.97 -0.57 0.00 0.00 179.45 179.78 2kds h ILE 91 N 0.00 0.41 -4.05 1.86 2.10 -1.86 -3.42 117.51 112.54 2kds h ILE 91 Ca 0.35 -0.45 -0.54 0.00 1.08 0.00 0.00 64.86 65.29 2kds h ILE 91 Cb 1.42 1.32 -0.24 0.00 -1.09 0.00 0.00 36.82 38.23 2kds h ILE 91 CO -0.00 0.08 -0.83 -0.13 -1.08 0.00 0.00 178.15 176.20 2kds s ARG 92 N -4.12 1.20 0.01 2.19 0.52 0.47 -5.04 118.95 114.19 2kds s ARG 92 Ca -0.03 -0.99 0.00 0.00 -0.52 0.00 0.00 55.73 54.19 2kds s ARG 92 Cb 0.13 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.25 2kds s ARG 92 CO 0.56 0.33 0.00 -0.12 0.02 0.00 0.00 175.30 176.08 2kds n MET 93 N 1.56 0.00 0.06 3.54 0.00 -1.26 -4.71 117.12 116.31 2kds n MET 93 Ca -0.18 0.00 0.04 0.00 -0.00 0.00 0.00 57.70 57.55 2kds n MET 93 Cb 0.54 -0.22 0.43 0.00 0.00 0.00 0.00 33.22 33.97 2kds n MET 93 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 175.97 174.62 2kds h PRO 94 N 0.00 0.40 -0.70 2.12 0.11 -1.96 -2.19 132.00 129.78 2kds h PRO 94 Ca 0.00 -0.04 -0.06 0.00 0.11 0.00 0.00 66.00 66.01 2kds h PRO 94 Cb 0.41 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 31.41 2kds h PRO 94 CO 0.00 0.33 0.20 1.15 -0.21 0.00 0.00 178.00 179.47 2kds h THR 95 N 0.40 1.26 0.00 -1.15 2.02 -1.98 -3.57 112.91 109.88 2kds h THR 95 Ca 0.10 -0.92 0.00 0.00 0.77 0.00 0.00 66.41 66.37 2kds h THR 95 Cb 0.08 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 2kds h THR 95 CO -0.01 0.36 0.00 0.18 0.37 0.00 0.00 175.52 176.41