#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kds n ALA 3 N 0.00 -3.42 -3.53 0.55 0.00 -1.26 -4.75 120.51 108.10 2kds n ALA 3 Ca 0.00 0.52 -0.33 0.00 0.00 0.00 0.00 53.44 53.63 2kds n ALA 3 Cb 0.00 -1.24 -0.16 0.00 0.00 0.00 0.00 19.45 18.05 2kds n ALA 3 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 2kds s ILE 4 N -2.60 2.34 0.08 0.00 1.01 -1.26 -5.11 121.20 115.66 2kds s ILE 4 Ca 0.00 -0.89 0.07 0.00 0.00 0.00 0.00 60.65 59.83 2kds s ILE 4 Cb 0.00 -1.95 -0.03 0.00 0.01 0.00 0.00 42.46 40.48 2kds s ILE 4 CO 0.00 0.54 -0.19 -1.61 0.00 0.00 0.00 174.94 173.68 2kds s GLU 5 N 0.76 1.06 1.38 2.79 2.02 -1.26 -5.14 118.70 120.32 2kds s GLU 5 Ca -0.07 -1.05 -0.22 0.00 0.02 0.00 0.00 54.97 53.65 2kds s GLU 5 Cb -0.16 -1.22 0.35 0.00 0.10 0.00 0.00 34.13 33.21 2kds s GLU 5 CO -0.00 0.29 0.97 0.14 0.02 0.00 0.00 175.26 176.68 2kds s VAL 6 N -1.12 1.26 0.00 2.63 -7.23 -1.26 -4.29 120.40 110.39 2kds s VAL 6 Ca 0.04 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.21 2kds s VAL 6 Cb -0.10 -2.17 0.00 0.00 0.56 0.00 0.00 36.38 34.67 2kds s VAL 6 CO 0.03 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.43 2kds n GLY 7 N 0.83 0.69 3.31 2.32 0.00 -1.00 -4.54 105.19 106.81 2kds n GLY 7 Ca 0.13 -0.46 -0.19 0.00 0.00 0.00 0.00 46.02 45.51 2kds n GLY 7 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 2kds s ARG 8 N -0.92 1.63 0.02 1.61 1.70 -1.25 -3.52 118.95 118.22 2kds s ARG 8 Ca 0.00 -1.94 0.01 0.00 -0.47 0.00 0.00 55.73 53.33 2kds s ARG 8 Cb 0.00 0.08 -0.04 0.00 -0.57 0.00 0.00 34.95 34.42 2kds s ARG 8 CO 0.00 -0.52 0.08 0.42 -1.08 0.00 0.00 175.30 174.20 2kds s ILE 9 N -3.59 4.65 0.21 4.99 1.01 -1.26 -2.24 121.20 124.97 2kds s ILE 9 Ca 0.37 -0.53 0.10 0.00 0.00 0.00 0.00 60.65 60.59 2kds s ILE 9 Cb 0.04 -3.16 -0.04 0.00 0.01 0.00 0.00 42.46 39.30 2kds s ILE 9 CO 0.20 0.27 -0.16 0.00 0.00 0.00 0.00 174.94 175.25 2kds s VAL 11 N -1.88 1.32 0.08 0.00 1.01 -0.99 0.63 120.40 120.59 2kds s VAL 11 Ca 0.25 -0.66 -0.21 0.00 0.00 0.00 0.00 61.98 61.36 2kds s VAL 11 Cb -0.08 -1.14 -0.07 0.00 0.00 0.00 0.00 36.38 35.10 2kds s VAL 11 CO 0.13 0.38 0.62 -0.54 0.00 0.00 0.00 175.10 175.70 2kds s LYS 12 N 0.06 4.31 -0.14 2.72 1.02 0.10 -4.40 119.74 123.41 2kds s LYS 12 Ca -0.04 0.84 0.00 0.00 0.02 0.00 0.00 55.97 56.79 2kds s LYS 12 Cb -0.11 -3.26 0.02 0.00 -0.52 0.00 0.00 37.83 33.96 2kds s LYS 12 CO 0.02 0.57 -0.13 0.08 -0.92 0.00 0.00 175.35 174.97 2kds s VAL 13 N -0.94 1.48 0.27 3.17 1.01 -1.26 -4.24 120.40 119.89 2kds s VAL 13 Ca 0.31 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 2kds s VAL 13 Cb -0.20 -1.40 0.03 0.00 0.00 0.00 0.00 36.38 34.80 2kds s VAL 13 CO 0.20 0.44 0.76 -0.54 0.00 0.00 0.00 175.10 175.97 2kds s LYS 14 N 1.51 1.72 0.80 2.72 1.02 -1.26 -5.07 119.74 121.17 2kds s LYS 14 Ca 0.05 -0.96 -0.10 0.00 0.02 0.00 0.00 55.97 54.97 2kds s LYS 14 Cb -0.13 0.58 0.18 0.00 -0.52 0.00 0.00 37.83 37.94 2kds s LYS 14 CO -0.10 -0.79 1.08 0.41 -0.92 0.00 0.00 175.35 175.03 2kds n GLY 15 N -0.47 -0.80 2.34 -3.33 0.00 -1.26 -4.47 105.19 97.20 2kds n GLY 15 Ca -0.05 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.17 2kds n GLY 15 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kds n ARG 16 N -3.22 -0.60 -1.52 1.61 1.74 -1.26 -4.46 116.66 108.95 2kds n ARG 16 Ca 0.15 0.57 0.00 0.00 -0.77 0.00 0.00 57.85 57.80 2kds n ARG 16 Cb 0.51 -0.61 0.00 0.00 -1.02 0.00 0.00 32.46 31.35 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 2.19 0.00 -0.27 5.56 2.13 -1.26 -4.96 120.64 124.02 2kds n GLU 17 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2kds n GLU 17 Cb 0.00 -0.38 0.00 0.00 0.27 0.00 0.00 31.44 31.33 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kds n ALA 18 N 1.87 1.36 -2.86 4.31 0.00 -1.26 -4.90 120.51 119.02 2kds n ALA 18 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 53.01 2kds n ALA 18 Cb 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.41 2kds n ALA 18 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 2kds s GLY 19 N 0.00 1.46 -0.06 0.00 0.00 -1.26 -4.00 107.32 103.45 2kds s GLY 19 Ca 0.00 -2.00 -0.05 0.00 0.00 0.00 0.00 44.72 42.67 2kds s GLY 19 CO 0.00 2.06 0.16 -0.56 0.00 0.00 0.00 173.10 174.77 2kds s SER 20 N 3.71 -0.16 -0.11 1.64 0.01 -1.26 -4.35 113.70 113.17 2kds s SER 20 Ca 0.24 0.33 -0.05 0.00 1.31 0.00 0.00 55.95 57.79 2kds s SER 20 Cb -0.15 0.31 -0.04 0.00 0.21 0.00 0.00 66.02 66.35 2kds s SER 20 CO 0.07 -0.08 0.07 -0.54 0.41 0.00 0.00 173.24 173.17 2kds s LYS 21 N 0.39 3.27 0.13 12.44 1.02 -1.26 -0.73 119.74 135.00 2kds s LYS 21 Ca -0.02 -0.27 0.05 0.00 0.02 0.00 0.00 55.97 55.74 2kds s LYS 21 Cb -0.04 -3.01 -0.04 0.00 -0.52 0.00 0.00 37.83 34.22 2kds s LYS 21 CO -0.02 0.71 -0.11 0.00 -0.92 0.00 0.00 175.35 175.01 2kds s VAL 23 N -2.84 4.58 -0.19 0.00 1.01 0.35 0.12 120.40 123.44 2kds s VAL 23 Ca 0.12 -0.13 -0.08 0.00 0.00 0.00 0.00 61.98 61.90 2kds s VAL 23 Cb -0.01 -3.00 -0.04 0.00 0.00 0.00 0.00 36.38 33.34 2kds s VAL 23 CO 0.01 0.54 0.08 -0.63 0.00 0.00 0.00 175.10 175.10 2kds s ILE 24 N -0.31 4.95 -0.40 2.22 1.01 -0.95 0.38 121.20 128.11 2kds s ILE 24 Ca 0.08 0.02 0.08 0.00 0.00 0.00 0.00 60.65 60.83 2kds s ILE 24 Cb -0.12 -3.24 0.27 0.00 0.01 0.00 0.00 42.46 39.38 2kds s ILE 24 CO 0.02 0.46 0.60 0.52 0.00 0.00 0.00 174.94 176.54 2kds n VAL 25 N 3.52 -0.54 0.00 2.92 0.31 -0.74 -2.37 118.33 121.43 2kds n VAL 25 Ca -0.16 -3.82 0.00 0.00 -0.01 0.00 0.00 64.34 60.35 2kds n VAL 25 Cb 0.52 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.16 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 1.23 0.00 -4.07 4.52 2.03 -1.26 -3.53 116.55 115.47 2kds n ASP 26 Ca 0.20 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 55.19 2kds n ASP 26 Cb 0.56 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.80 2kds n ASP 26 CO 0.00 0.00 0.00 -0.51 -1.92 0.00 0.00 177.20 174.77 2kds s ILE 27 N -1.87 1.89 0.00 5.18 2.07 -1.26 -2.86 121.20 124.36 2kds s ILE 27 Ca 0.00 -0.98 0.00 0.00 -1.41 0.00 0.00 60.65 58.26 2kds s ILE 27 Cb 0.00 -1.81 0.00 0.00 0.13 0.00 0.00 42.46 40.78 2kds s ILE 27 CO 0.00 0.38 0.00 -0.38 -1.91 0.00 0.00 174.94 173.03 2kds n ILE 28 N 4.64 0.00 -4.05 2.00 5.41 -1.19 -5.03 119.36 121.15 2kds n ILE 28 Ca -0.18 0.00 -0.22 0.00 1.00 0.00 0.00 62.75 63.35 2kds n ILE 28 Cb 0.48 -0.84 -0.04 0.00 -0.71 0.00 0.00 39.64 38.53 2kds n ILE 28 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 2kds s ASP 29 N -1.00 5.43 0.33 4.38 2.15 -1.22 -4.98 116.67 121.76 2kds s ASP 29 Ca 0.00 -0.33 0.05 0.00 0.43 0.00 0.00 52.55 52.71 2kds s ASP 29 Cb 0.00 -1.28 0.69 0.00 -0.30 0.00 0.00 42.92 42.03 2kds s ASP 29 CO 0.00 -0.12 1.88 0.44 -0.17 0.00 0.00 175.17 177.20 2kds h ASP 30 N 1.44 0.77 -0.04 -0.34 3.32 -2.04 -1.81 116.42 117.73 2kds h ASP 30 Ca -0.47 0.03 0.00 0.00 0.02 0.00 0.00 57.03 56.61 2kds h ASP 30 Cb 1.24 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.67 2kds h ASP 30 CO 0.60 0.43 0.00 0.59 -1.72 0.00 0.00 179.24 179.14 2kds n ASN 31 N -4.56 2.46 -4.32 6.45 3.02 -1.26 -4.94 115.26 112.11 2kds n ASN 31 Ca 0.16 -1.82 -0.29 0.00 -0.03 0.00 0.00 54.58 52.61 2kds n ASN 31 Cb 0.37 -0.01 -0.14 0.00 -0.61 0.00 0.00 39.78 39.38 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 -1.98 2.18 0.17 3.10 0.40 -0.68 -1.52 117.98 119.65 2kds s PHE 32 Ca 0.32 -0.40 0.04 0.00 -0.60 0.00 0.00 56.93 56.29 2kds s PHE 32 Cb 0.20 -1.29 -0.05 0.00 0.51 0.00 0.00 43.02 42.40 2kds s PHE 32 CO 0.31 0.14 -0.06 0.14 0.70 0.00 0.00 175.22 176.44 2kds s VAL 33 N -0.83 1.07 -0.16 -0.44 -7.23 -0.83 -3.14 120.40 108.84 2kds s VAL 33 Ca 0.11 -2.04 -0.08 0.00 -1.81 0.00 0.00 61.98 58.16 2kds s VAL 33 Cb -0.10 -2.01 -0.04 0.00 0.56 0.00 0.00 36.38 34.79 2kds s VAL 33 CO 0.02 -0.61 0.11 -0.22 -0.31 0.00 0.00 175.10 174.09 2kds s LEU 34 N -3.20 4.13 0.08 1.32 0.20 -1.13 -1.98 118.68 118.10 2kds s LEU 34 Ca 0.20 0.27 0.07 0.00 0.69 0.00 0.00 54.13 55.36 2kds s LEU 34 Cb 0.04 -2.03 -0.03 0.00 -0.43 0.00 0.00 46.19 43.73 2kds s LEU 34 CO 0.03 0.27 -0.18 0.68 -0.29 0.00 0.00 176.35 176.86 2kds s VAL 35 N -0.17 1.45 0.02 1.68 -7.23 -0.66 -1.79 120.40 113.69 2kds s VAL 35 Ca 0.09 -1.41 -0.05 0.00 -1.81 0.00 0.00 61.98 58.80 2kds s VAL 35 Cb -0.12 -1.34 -0.01 0.00 0.56 0.00 0.00 36.38 35.48 2kds s VAL 35 CO 0.01 -0.11 0.08 0.28 -0.31 0.00 0.00 175.10 175.05 2kds s THR 36 N -1.18 0.11 0.10 5.32 -1.32 0.16 -1.80 115.64 117.02 2kds s THR 36 Ca 0.03 -0.87 -0.26 0.00 -1.21 0.00 0.00 61.69 59.38 2kds s THR 36 Cb -0.10 -0.53 0.08 0.00 -1.51 0.00 0.00 72.50 70.44 2kds s THR 36 CO 0.03 -0.48 0.87 -0.83 -2.21 0.00 0.00 174.62 172.00 2kds s GLY 37 N -1.62 -0.37 0.05 6.08 0.00 0.03 -0.50 107.32 110.99 2kds s GLY 37 Ca -0.12 0.52 -0.30 0.00 0.00 0.00 0.00 44.72 44.82 2kds s GLY 37 CO -0.01 0.16 1.62 -4.14 0.00 0.00 0.00 173.10 170.73 2kds s PRO 38 N -3.32 4.21 0.19 2.90 0.02 -1.22 -3.60 135.00 134.18 2kds s PRO 38 Ca 0.08 2.27 -0.12 0.00 0.02 0.00 0.00 61.00 63.24 2kds s PRO 38 Cb -0.01 -3.64 0.11 0.00 0.02 0.00 0.00 34.50 30.98 2kds s PRO 38 CO -0.04 -0.72 1.84 -0.22 -0.33 0.00 0.00 177.00 177.53 2kds h LYS 39 N 8.38 0.85 -0.59 5.54 3.64 -1.84 -1.95 116.57 130.60 2kds h LYS 39 Ca -0.42 -0.06 -0.04 0.00 -1.27 0.00 0.00 60.65 58.86 2kds h LYS 39 Cb 1.20 -0.19 -0.03 0.00 -0.41 0.00 0.00 32.23 32.80 2kds h LYS 39 CO 0.93 0.58 0.19 -0.44 -2.27 0.00 0.00 179.45 178.43 2kds h ASP 40 N 0.86 0.82 0.00 4.20 3.32 -1.90 -2.91 116.42 120.82 2kds h ASP 40 Ca 0.23 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.15 2kds h ASP 40 Cb -0.07 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 39.27 2kds h ASP 40 CO -0.05 0.78 0.00 -0.38 -1.72 0.00 0.00 179.24 177.87 2kds n ILE 41 N -4.29 0.00 0.01 0.35 5.41 -1.16 -4.66 119.36 115.03 2kds n ILE 41 Ca 0.05 0.42 -0.07 0.00 1.00 0.00 0.00 62.75 64.14 2kds n ILE 41 Cb 0.20 -1.38 0.10 0.00 -0.71 0.00 0.00 39.64 37.85 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 1.31 0.00 1.39 2.02 -1.71 -3.48 112.91 112.45 2kds h THR 42 Ca 0.00 -1.67 0.00 0.00 0.77 0.00 0.00 66.41 65.51 2kds h THR 42 Cb 0.00 1.66 0.00 0.00 -1.74 0.00 0.00 68.15 68.07 2kds h THR 42 CO 0.00 0.52 0.00 0.61 0.37 0.00 0.00 175.52 177.02 2kds n GLY 43 N 0.08 2.71 3.66 2.16 0.00 -0.76 -4.74 105.19 108.30 2kds n GLY 43 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 2kds n GLY 43 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kds s VAL 44 N -2.66 5.12 0.00 1.61 0.11 -1.25 -4.69 120.40 118.65 2kds s VAL 44 Ca 0.00 0.90 0.00 0.00 -2.93 0.00 0.00 61.98 59.95 2kds s VAL 44 Cb 0.00 -3.82 0.00 0.00 -1.53 0.00 0.00 36.38 31.03 2kds s VAL 44 CO 0.00 0.18 0.00 1.17 -3.33 0.00 0.00 175.10 173.12 2kds n LYS 45 N 4.79 0.00 -3.61 1.54 4.81 -1.24 -1.54 118.16 122.91 2kds n LYS 45 Ca -0.05 0.01 -0.08 0.00 -0.87 0.00 0.00 58.31 57.32 2kds n LYS 45 Cb 0.50 -0.30 -0.09 0.00 0.02 0.00 0.00 35.03 35.17 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 -0.04 0.34 0.18 1.64 3.52 -1.26 -0.79 118.95 122.54 2kds s ARG 46 Ca 0.00 1.00 -0.18 0.00 -0.13 0.00 0.00 55.73 56.41 2kds s ARG 46 Cb 0.00 0.27 0.04 0.00 -1.56 0.00 0.00 34.95 33.69 2kds s ARG 46 CO 0.00 -0.30 0.52 -0.98 -0.81 0.00 0.00 175.30 173.73 2kds s ARG 47 N 2.62 1.32 -0.06 5.12 1.70 -0.75 -4.99 118.95 123.91 2kds s ARG 47 Ca 0.00 -0.77 -0.13 0.00 -0.47 0.00 0.00 55.73 54.36 2kds s ARG 47 Cb -0.12 0.53 -0.05 0.00 -0.57 0.00 0.00 34.95 34.73 2kds s ARG 47 CO -0.14 -0.56 0.32 0.50 -1.08 0.00 0.00 175.30 174.35 2kds s ARG 48 N -3.84 3.86 0.08 3.89 3.52 -1.26 -1.65 118.95 123.54 2kds s ARG 48 Ca 0.07 0.23 0.05 0.00 -0.13 0.00 0.00 55.73 55.95 2kds s ARG 48 Cb -0.01 -3.25 -0.03 0.00 -1.56 0.00 0.00 34.95 30.10 2kds s ARG 48 CO -0.06 0.63 -0.14 0.14 -0.81 0.00 0.00 175.30 175.06 2kds s VAL 49 N -0.78 1.13 0.74 7.11 -7.23 -0.84 -4.95 120.40 115.58 2kds s VAL 49 Ca 0.20 -1.36 -0.07 0.00 -1.81 0.00 0.00 61.98 58.95 2kds s VAL 49 Cb -0.15 -1.13 0.09 0.00 0.56 0.00 0.00 36.38 35.76 2kds s VAL 49 CO 0.09 -0.25 1.05 0.54 -0.31 0.00 0.00 175.10 176.22 2kds s ASN 50 N -1.83 4.47 0.54 4.85 4.22 -1.26 -1.96 114.94 123.97 2kds s ASN 50 Ca -0.01 0.25 0.23 0.00 -2.14 0.00 0.00 52.86 51.19 2kds s ASN 50 Cb -0.09 -0.77 1.41 0.00 1.28 0.00 0.00 41.25 43.08 2kds s ASN 50 CO 0.02 -1.81 2.07 0.40 -2.04 0.00 0.00 177.10 175.74 2kds h ILE 51 N -0.73 0.77 -0.57 0.54 2.04 -1.65 -1.79 117.51 116.12 2kds h ILE 51 Ca -0.43 0.00 0.16 0.00 1.00 0.00 0.00 64.86 65.60 2kds h ILE 51 Cb 1.29 0.85 -0.02 0.00 -0.74 0.00 0.00 36.82 38.20 2kds h ILE 51 CO 0.53 0.00 0.44 -0.07 0.00 0.00 0.00 178.15 179.05 2kds h LEU 52 N 0.00 0.00 -7.43 1.44 3.38 -1.93 -2.84 115.31 107.93 2kds h LEU 52 Ca 0.13 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.43 2kds h LEU 52 Cb 0.54 0.00 -0.38 0.00 0.09 0.00 0.00 40.66 40.91 2kds h LEU 52 CO -0.00 0.00 -0.47 -1.00 0.09 0.00 0.00 178.44 177.06 2kds s HIS 53 N -4.92 3.36 -0.09 1.13 3.76 -0.67 -5.05 115.29 112.81 2kds s HIS 53 Ca -0.05 -2.98 0.03 0.00 -0.15 0.00 0.00 55.06 51.91 2kds s HIS 53 Cb 0.19 -3.01 0.01 0.00 1.11 0.00 0.00 32.58 30.88 2kds s HIS 53 CO 0.70 -0.77 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.47 2kds s LEU 54 N -0.38 1.88 -0.34 0.89 2.96 -1.07 -4.75 118.68 117.86 2kds s LEU 54 Ca 0.18 -0.45 0.04 0.00 -0.22 0.00 0.00 54.13 53.68 2kds s LEU 54 Cb -0.20 -1.15 0.16 0.00 0.50 0.00 0.00 46.19 45.50 2kds s LEU 54 CO -0.04 0.09 0.44 -0.70 -1.32 0.00 0.00 176.35 174.83 2kds s GLU 55 N 0.57 0.57 0.35 1.98 2.56 -1.26 -4.97 118.70 118.50 2kds s GLU 55 Ca -0.15 -0.27 -0.10 0.00 0.00 0.00 0.00 54.97 54.45 2kds s GLU 55 Cb -0.17 -0.36 -0.06 0.00 2.00 0.00 0.00 34.13 35.54 2kds s GLU 55 CO 0.05 -1.12 0.70 -1.25 -0.56 0.00 0.00 175.26 173.08 2kds s PRO 56 N 2.04 3.77 0.33 4.30 0.04 -1.26 -2.34 135.00 141.88 2kds s PRO 56 Ca 0.13 0.37 0.09 0.00 0.04 0.00 0.00 61.00 61.63 2kds s PRO 56 Cb -0.12 -2.48 -0.05 0.00 0.04 0.00 0.00 34.50 31.89 2kds s PRO 56 CO -0.17 0.07 -0.03 0.95 0.04 0.00 0.00 177.00 177.87 2kds s THR 57 N -2.21 2.61 -0.29 1.26 -4.23 -0.45 -4.88 115.64 107.45 2kds s THR 57 Ca 0.49 -2.05 -0.01 0.00 -1.18 0.00 0.00 61.69 58.94 2kds s THR 57 Cb -0.10 -2.72 0.21 0.00 1.34 0.00 0.00 72.50 71.22 2kds s THR 57 CO 0.29 -0.24 1.96 -0.90 -0.54 0.00 0.00 174.62 175.19 2kds n ASP 58 N -0.89 6.14 -2.12 3.99 5.68 -1.26 -4.72 116.55 123.38 2kds n ASP 58 Ca -0.05 -3.00 0.00 0.00 -0.50 0.00 0.00 54.79 51.24 2kds n ASP 58 Cb 0.62 -1.03 0.00 0.00 -1.14 0.00 0.00 41.12 39.57 2kds n ASP 58 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 2kds n LYS 59 N 0.35 0.62 -2.62 0.11 5.02 -1.26 -5.07 118.16 115.31 2kds n LYS 59 Ca 0.28 0.00 -0.31 0.00 -2.02 0.00 0.00 58.31 56.26 2kds n LYS 59 Cb 0.61 0.00 -0.04 0.00 -0.02 0.00 0.00 35.03 35.59 2kds n LYS 59 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 2kds s LYS 60 N -1.64 3.89 -0.22 1.97 2.20 -1.26 -4.97 119.74 119.71 2kds s LYS 60 Ca 0.00 0.75 -0.01 0.00 -0.36 0.00 0.00 55.97 56.35 2kds s LYS 60 Cb 0.00 -2.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.09 2kds s LYS 60 CO 0.00 -0.15 -0.10 0.42 -0.36 0.00 0.00 175.35 175.16 2kds s ILE 61 N -2.48 2.66 -0.35 5.43 -1.09 -1.23 -3.92 121.20 120.22 2kds s ILE 61 Ca 0.56 -0.95 -0.06 0.00 -2.23 0.00 0.00 60.65 57.97 2kds s ILE 61 Cb -0.10 -2.28 0.20 0.00 -1.58 0.00 0.00 42.46 38.70 2kds s ILE 61 CO 0.30 0.33 1.01 -0.62 -1.23 0.00 0.00 174.94 174.72 2kds s ASP 62 N 1.33 -0.50 0.14 3.58 2.15 -1.24 -5.00 116.67 117.14 2kds s ASP 62 Ca 0.02 -0.39 0.04 0.00 0.43 0.00 0.00 52.55 52.66 2kds s ASP 62 Cb -0.15 0.64 -0.04 0.00 -0.30 0.00 0.00 42.92 43.06 2kds s ASP 62 CO -0.07 -0.04 -0.10 0.27 -0.17 0.00 0.00 175.17 175.06 2kds s ILE 63 N 1.55 1.16 0.13 4.11 -0.00 -1.26 -4.97 121.20 121.92 2kds s ILE 63 Ca 0.19 -2.01 -0.16 0.00 -0.00 0.00 0.00 60.65 58.67 2kds s ILE 63 Cb 0.06 -1.79 -0.00 0.00 -0.00 0.00 0.00 42.46 40.72 2kds s ILE 63 CO -0.12 -0.71 1.67 1.56 -0.00 0.00 0.00 174.94 177.34 2kds h GLN 64 N 2.88 0.61 -0.02 0.37 4.20 -1.96 -3.49 115.11 117.70 2kds h GLN 64 Ca -0.37 -0.11 0.00 0.00 0.06 0.00 0.00 58.65 58.23 2kds h GLN 64 Cb 1.19 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.87 2kds h GLN 64 CO 0.62 0.58 0.00 1.17 -0.67 0.00 0.00 178.83 180.53 2kds n LYS 65 N -4.63 0.00 -0.52 1.46 4.81 -1.26 -4.85 118.16 113.17 2kds n LYS 65 Ca -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.44 2kds n LYS 65 Cb 0.15 -0.01 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 0.97 0.73 3.66 3.14 0.00 -1.23 -5.00 105.19 107.47 2kds n GLY 66 Ca 0.00 -0.08 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.45 0.59 -0.92 4.61 0.00 -1.26 -4.98 120.51 118.11 2kds n ALA 67 Ca 0.00 0.01 -0.30 0.00 0.00 0.00 0.00 53.44 53.16 2kds n ALA 67 Cb 0.00 -2.20 0.17 0.00 0.00 0.00 0.00 19.45 17.42 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 -1.26 2.79 0.22 0.00 1.04 -1.26 -4.57 113.70 110.65 2kds s SER 68 Ca 0.78 1.70 -0.09 0.00 0.48 0.00 0.00 55.95 58.82 2kds s SER 68 Cb -0.41 -2.33 0.23 0.00 0.10 0.00 0.00 66.02 63.61 2kds s SER 68 CO 0.45 -3.10 1.86 0.44 0.98 0.00 0.00 173.24 173.87 2kds h ASP 69 N -1.87 0.81 -0.78 7.02 3.32 -1.98 0.34 116.42 123.29 2kds h ASP 69 Ca -0.50 -0.00 -0.04 0.00 0.02 0.00 0.00 57.03 56.50 2kds h ASP 69 Cb 1.29 -0.18 -0.04 0.00 0.22 0.00 0.00 39.33 40.63 2kds h ASP 69 CO 0.50 0.56 0.33 -0.33 -1.72 0.00 0.00 179.24 178.57 2kds h GLU 70 N 0.96 1.16 -0.40 3.56 5.08 -2.00 0.11 114.58 123.05 2kds h GLU 70 Ca 0.31 -0.20 -0.08 0.00 -1.00 0.00 0.00 59.36 58.39 2kds h GLU 70 Cb 0.02 -0.19 -0.02 0.00 0.50 0.00 0.00 28.75 29.06 2kds h GLU 70 CO -0.11 0.93 -0.09 0.93 -1.00 0.00 0.00 179.01 179.66 2kds h GLU 71 N 1.14 0.69 -0.52 2.33 5.08 -1.67 -2.03 114.58 119.60 2kds h GLU 71 Ca 0.26 -0.21 -0.05 0.00 -1.00 0.00 0.00 59.36 58.36 2kds h GLU 71 Cb 0.19 -0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.35 2kds h GLU 71 CO -0.02 0.77 0.13 0.28 -1.00 0.00 0.00 179.01 179.16 2kds h VAL 72 N 0.64 1.24 -0.73 3.13 2.07 0.93 -2.18 116.25 121.35 2kds h VAL 72 Ca 0.11 -0.86 -0.01 0.00 0.82 0.00 0.00 66.70 66.77 2kds h VAL 72 Cb 0.53 0.81 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 2kds h VAL 72 CO 0.03 0.31 0.42 0.11 0.02 0.00 0.00 177.57 178.46 2kds h LYS 73 N 0.72 1.00 -0.65 1.57 1.57 -0.48 -1.94 116.57 118.37 2kds h LYS 73 Ca 0.16 -0.10 0.00 0.00 -1.87 0.00 0.00 60.65 58.84 2kds h LYS 73 Cb 0.33 -0.20 -0.03 0.00 0.08 0.00 0.00 32.23 32.41 2kds h LYS 73 CO 0.00 0.72 0.41 -0.22 -0.57 0.00 0.00 179.45 179.79 2kds h LYS 74 N 1.00 0.87 -0.16 3.15 3.64 -1.08 -1.64 116.57 122.34 2kds h LYS 74 Ca 0.26 -0.07 -0.01 0.00 -1.27 0.00 0.00 60.65 59.56 2kds h LYS 74 Cb -0.01 -0.19 -0.01 0.00 -0.41 0.00 0.00 32.23 31.62 2kds h LYS 74 CO -0.05 0.60 0.06 0.87 -2.27 0.00 0.00 179.45 178.66 2kds h LYS 75 N 0.88 0.22 -0.88 1.90 1.57 -0.97 -2.08 116.57 117.20 2kds h LYS 75 Ca 0.23 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 59.12 2kds h LYS 75 Cb -0.06 -0.05 -0.07 0.00 0.08 0.00 0.00 32.23 32.14 2kds h LYS 75 CO -0.05 0.19 0.57 1.25 -0.57 0.00 0.00 179.45 180.84 2kds h LEU 76 N 0.22 0.71 -1.87 2.94 5.85 -0.53 0.27 115.31 122.90 2kds h LEU 76 Ca 0.06 0.03 0.04 0.00 0.84 0.00 0.00 57.88 58.85 2kds h LEU 76 Cb 0.05 -0.11 -0.01 0.00 0.37 0.00 0.00 40.66 40.96 2kds h LEU 76 CO -0.01 0.38 0.18 -0.33 -0.34 0.00 0.00 178.44 178.33 2kds h GLU 77 N 0.76 0.16 -0.70 1.25 5.08 -1.42 0.39 114.58 120.11 2kds h GLU 77 Ca 0.43 -0.01 0.08 0.00 -1.00 0.00 0.00 59.36 58.86 2kds h GLU 77 Cb 0.60 -0.04 -0.04 0.00 0.50 0.00 0.00 28.75 29.76 2kds h GLU 77 CO -0.19 0.11 0.46 1.49 -1.00 0.00 0.00 179.01 179.87 2kds h GLU 78 N 0.17 0.64 0.00 2.33 4.81 -0.59 1.11 114.58 123.05 2kds h GLU 78 Ca 0.12 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 2kds h GLU 78 Cb 0.25 -0.14 0.00 0.00 0.63 0.00 0.00 28.75 29.49 2kds h GLU 78 CO -0.02 0.42 0.00 0.66 -0.73 0.00 0.00 179.01 179.35 2kds h SER 79 N 0.66 0.00 -5.01 1.04 4.64 -0.23 -3.45 113.55 111.20 2kds h SER 79 Ca 0.31 0.00 -0.40 0.00 -0.47 0.00 0.00 61.79 61.23 2kds h SER 79 Cb 0.35 0.00 0.10 0.00 -0.31 0.00 0.00 62.40 62.54 2kds h SER 79 CO -0.10 0.00 -0.63 0.59 -0.87 0.00 0.00 176.83 175.82 2kds n ASN 80 N -3.04 -6.18 0.16 4.97 3.02 0.38 -4.82 115.26 109.75 2kds n ASN 80 Ca -0.01 -0.40 0.01 0.00 -0.03 0.00 0.00 54.58 54.16 2kds n ASN 80 Cb 0.22 -4.91 0.31 0.00 -0.61 0.00 0.00 39.78 34.79 2kds n ASN 80 CO 0.00 0.00 0.00 0.25 -2.62 0.00 0.00 177.26 174.89 2kds h LEU 81 N -1.97 0.04 -1.44 3.41 5.85 -1.76 -2.33 115.31 117.12 2kds h LEU 81 Ca -0.54 -0.02 0.41 0.00 0.84 0.00 0.00 57.88 58.57 2kds h LEU 81 Cb 1.36 -0.01 -0.12 0.00 0.37 0.00 0.00 40.66 42.26 2kds h LEU 81 CO 0.55 0.45 0.84 0.74 -0.34 0.00 0.00 178.44 180.68 2kds h THR 82 N 0.04 0.19 0.00 1.05 2.02 -1.89 -3.37 112.91 110.95 2kds h THR 82 Ca 0.00 -0.04 0.00 0.00 0.77 0.00 0.00 66.41 67.14 2kds h THR 82 Cb 0.74 0.05 0.00 0.00 -1.74 0.00 0.00 68.15 67.20 2kds h THR 82 CO 0.05 0.02 0.00 1.21 0.37 0.00 0.00 175.52 177.18 2kds n GLU 83 N -4.64 0.81 -0.04 6.66 2.13 -1.23 -4.91 120.64 119.41 2kds n GLU 83 Ca 0.35 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 58.07 2kds n GLU 83 Cb 1.36 -0.11 -0.04 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 0.25 0.00 4.31 3.20 -1.57 -3.43 116.97 119.73 2kds h TYR 84 Ca 0.00 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.87 2kds h TYR 84 Cb 0.00 -0.08 0.00 0.00 1.54 0.00 0.00 36.73 38.19 2kds h TYR 84 CO 0.00 0.19 0.00 -1.33 -1.64 0.00 0.00 178.16 175.38 2kds n MET 85 N -4.93 0.00 -0.73 1.82 2.81 -1.23 -4.59 117.12 110.26 2kds n MET 85 Ca -0.03 0.00 -0.03 0.00 -1.81 0.00 0.00 57.70 55.82 2kds n MET 85 Cb 0.04 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.54 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 -1.58 0.24 0.03 5.02 -1.26 -4.72 118.16 115.88 2kds n LYS 86 Ca 0.00 0.26 0.11 0.00 -2.02 0.00 0.00 58.31 56.66 2kds n LYS 86 Cb 0.00 -3.87 0.57 0.00 -0.02 0.00 0.00 35.03 31.71 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 0.00 -3.70 1.97 5.08 -1.90 -3.50 114.58 112.53 2kds h GLU 87 Ca -0.06 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.30 2kds h GLU 87 Cb 0.36 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.61 2kds h GLU 87 CO 0.09 0.20 -0.85 1.63 -1.00 0.00 0.00 179.01 179.08 2kds n LYS 88 N -3.54 -4.04 0.00 2.33 5.02 -1.26 -4.42 118.16 112.25 2kds n LYS 88 Ca -0.01 3.06 0.09 0.00 -2.02 0.00 0.00 58.31 59.43 2kds n LYS 88 Cb 0.35 -3.65 0.43 0.00 -0.02 0.00 0.00 35.03 32.14 2kds n LYS 88 CO 0.00 0.00 0.00 0.44 -0.52 0.00 0.00 177.40 177.32 2kds n ILE 89 N -1.52 0.61 0.00 -0.18 -6.64 -1.26 -4.73 119.36 105.64 2kds n ILE 89 Ca 0.00 0.15 0.00 0.00 -1.77 0.00 0.00 62.75 61.13 2kds n ILE 89 Cb 0.16 -0.83 0.00 0.00 -1.44 0.00 0.00 39.64 37.53 2kds n ILE 89 CO 0.00 0.00 0.00 0.29 -1.77 0.00 0.00 176.55 175.07 2kds n LYS 90 N -1.44 1.36 -4.80 6.28 5.02 -1.26 -5.05 118.16 118.26 2kds n LYS 90 Ca 0.06 0.00 -0.30 0.00 -2.02 0.00 0.00 58.31 56.05 2kds n LYS 90 Cb 0.20 0.00 -0.17 0.00 -0.02 0.00 0.00 35.03 35.05 2kds n LYS 90 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 2kds s ILE 91 N 0.00 1.74 -0.03 -0.18 1.01 -1.26 -5.13 121.20 117.35 2kds s ILE 91 Ca 0.00 -0.81 0.02 0.00 0.00 0.00 0.00 60.65 59.86 2kds s ILE 91 Cb 0.00 -1.54 0.01 0.00 0.01 0.00 0.00 42.46 40.94 2kds s ILE 91 CO 0.00 0.49 -0.07 -0.13 0.00 0.00 0.00 174.94 175.23 2kds s ARG 92 N 0.65 0.85 0.05 2.79 0.52 -1.26 -4.96 118.95 117.60 2kds s ARG 92 Ca -0.13 -0.23 0.00 0.00 -0.52 0.00 0.00 55.73 54.85 2kds s ARG 92 Cb -0.16 -0.81 0.00 0.00 0.52 0.00 0.00 34.95 34.49 2kds s ARG 92 CO 0.03 0.06 0.00 -0.12 0.02 0.00 0.00 175.30 175.29 2kds n MET 93 N 3.44 0.00 0.29 3.54 1.56 -1.26 -4.88 117.12 119.81 2kds n MET 93 Ca -0.19 0.00 0.16 0.00 -0.27 0.00 0.00 57.70 57.40 2kds n MET 93 Cb 0.54 0.00 0.87 0.00 2.15 0.00 0.00 33.22 36.78 2kds n MET 93 CO 0.00 0.00 0.00 -1.35 -0.73 0.00 0.00 175.97 173.89 2kds h PRO 94 N 0.00 0.00 0.00 2.12 0.11 -2.08 -1.55 132.00 130.60 2kds h PRO 94 Ca 0.00 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.04 2kds h PRO 94 Cb 0.00 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 31.10 2kds h PRO 94 CO 0.00 0.06 -0.34 1.79 -0.21 0.00 0.00 178.00 179.29 2kds h THR 95 N 0.00 0.70 -0.03 -1.15 1.35 -1.95 -3.57 112.91 108.26 2kds h THR 95 Ca -0.00 -1.58 0.00 0.00 -0.55 0.00 0.00 66.41 64.28 2kds h THR 95 Cb 0.24 2.04 0.00 0.00 -1.73 0.00 0.00 68.15 68.70 2kds h THR 95 CO 0.01 0.33 0.00 -0.11 -0.25 0.00 0.00 175.52 175.50