#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 -0.30 -3.39 0.55 0.00 -1.26 -4.60 120.51 111.51 2kds n ALA 3 Ca 0.00 0.02 -0.33 0.00 0.00 0.00 0.00 53.44 53.13 2kds n ALA 3 Cb 0.00 -0.09 -0.15 0.00 0.00 0.00 0.00 19.45 19.21 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 -0.17 2.74 0.17 0.00 1.01 -1.26 -5.11 121.20 118.58 2kds s ILE 4 Ca 0.00 -0.75 0.06 0.00 0.00 0.00 0.00 60.65 59.97 2kds s ILE 4 Cb 0.00 -2.16 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 2kds s ILE 4 CO 0.00 0.51 0.06 -1.61 0.00 0.00 0.00 174.94 173.90 2kds s GLU 5 N 0.76 2.60 1.30 2.79 2.02 -1.26 -5.11 118.70 121.80 2kds s GLU 5 Ca -0.06 -1.02 -0.19 0.00 0.02 0.00 0.00 54.97 53.72 2kds s GLU 5 Cb -0.15 -2.47 0.32 0.00 0.10 0.00 0.00 34.13 31.93 2kds s GLU 5 CO 0.01 0.46 0.99 0.14 0.02 0.00 0.00 175.26 176.88 2kds s VAL 6 N -1.76 1.53 0.00 2.63 -7.23 -1.26 -4.52 120.40 109.80 2kds s VAL 6 Ca 0.29 0.00 0.00 0.00 -1.81 0.00 0.00 61.98 60.46 2kds s VAL 6 Cb -0.09 -2.15 0.00 0.00 0.56 0.00 0.00 36.38 34.69 2kds s VAL 6 CO 0.21 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.61 2kds n GLY 7 N 0.75 2.58 5.94 2.32 0.00 -1.25 -4.87 105.19 110.65 2kds n GLY 7 Ca 0.09 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.81 2kds n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2kds n ARG 8 N 10.95 0.00 -4.52 1.61 1.74 -1.25 -3.47 116.66 121.72 2kds n ARG 8 Ca 0.00 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.78 2kds n ARG 8 Cb 0.00 0.00 -0.13 0.00 -1.02 0.00 0.00 32.46 31.31 2kds n ARG 8 CO 0.00 0.00 0.00 -1.50 -1.52 0.00 0.00 177.63 174.61 2kds s ILE 9 N -0.14 2.52 0.19 0.55 2.07 -1.25 -2.75 121.20 122.39 2kds s ILE 9 Ca 0.00 -1.50 0.07 0.00 -1.41 0.00 0.00 60.65 57.81 2kds s ILE 9 Cb 0.00 -2.10 -0.05 0.00 0.13 0.00 0.00 42.46 40.45 2kds s ILE 9 CO 0.00 0.20 -0.13 0.00 -1.91 0.00 0.00 174.94 173.09 2kds s VAL 11 N -3.04 0.88 0.02 0.00 0.11 -0.90 0.13 120.40 117.60 2kds s VAL 11 Ca 0.20 -0.85 -0.19 0.00 -2.93 0.00 0.00 61.98 58.21 2kds s VAL 11 Cb -0.00 -0.81 -0.06 0.00 -1.53 0.00 0.00 36.38 33.98 2kds s VAL 11 CO 0.05 -0.03 0.55 -0.54 -3.33 0.00 0.00 175.10 171.80 2kds s LYS 12 N -0.99 4.22 -0.13 1.54 1.02 -0.63 -4.15 119.74 120.62 2kds s LYS 12 Ca -0.00 0.66 0.01 0.00 0.02 0.00 0.00 55.97 56.66 2kds s LYS 12 Cb -0.07 -3.29 0.02 0.00 -0.52 0.00 0.00 37.83 33.97 2kds s LYS 12 CO 0.01 0.50 -0.14 0.08 -0.92 0.00 0.00 175.35 174.88 2kds s VAL 13 N -0.60 1.52 0.03 3.17 1.01 -1.25 -3.91 120.40 120.37 2kds s VAL 13 Ca 0.29 -0.62 -0.28 0.00 0.00 0.00 0.00 61.98 61.37 2kds s VAL 13 Cb -0.18 -1.42 0.10 0.00 0.00 0.00 0.00 36.38 34.87 2kds s VAL 13 CO 0.17 0.45 0.83 -0.75 0.00 0.00 0.00 175.10 175.80 2kds s LYS 14 N 1.35 0.92 0.88 2.72 2.20 -1.26 -5.06 119.74 121.49 2kds s LYS 14 Ca 0.01 -0.34 -0.10 0.00 -0.36 0.00 0.00 55.97 55.18 2kds s LYS 14 Cb -0.13 0.42 0.18 0.00 -1.51 0.00 0.00 37.83 36.79 2kds s LYS 14 CO -0.08 -0.40 1.21 0.20 -0.36 0.00 0.00 175.35 175.92 2kds s GLY 15 N -2.54 1.78 -0.07 5.54 0.00 -1.26 -4.38 107.32 106.40 2kds s GLY 15 Ca 0.04 -1.49 -0.02 0.00 0.00 0.00 0.00 44.72 43.26 2kds s GLY 15 CO -0.10 -0.77 0.03 0.54 0.00 0.00 0.00 173.10 172.81 2kds n ARG 16 N -3.44 -1.59 -2.03 2.90 1.74 -1.26 -4.52 116.66 108.46 2kds n ARG 16 Ca 0.16 1.54 0.00 0.00 -0.77 0.00 0.00 57.85 58.78 2kds n ARG 16 Cb 0.60 -2.03 0.00 0.00 -1.02 0.00 0.00 32.46 30.01 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 1.69 -0.42 0.00 5.56 2.13 -1.26 -4.97 120.64 123.37 2kds n GLU 17 Ca -0.05 0.30 0.00 0.00 0.66 0.00 0.00 57.16 58.07 2kds n GLU 17 Cb 0.28 -0.84 0.00 0.00 0.27 0.00 0.00 31.44 31.15 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 1.99 0.00 -2.57 4.31 0.00 -1.26 -4.94 120.51 118.04 2kds n ALA 18 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 53.44 53.03 2kds n ALA 18 Cb 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.38 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 1.78 -0.04 0.00 0.00 -1.25 -3.97 107.32 103.84 2kds s GLY 19 Ca 0.00 -0.89 -0.19 0.00 0.00 0.00 0.00 44.72 43.64 2kds s GLY 19 CO 0.00 1.39 0.42 -1.35 0.00 0.00 0.00 173.10 173.56 2kds s SER 20 N 1.76 -0.33 0.00 1.64 1.04 -1.26 -3.44 113.70 113.12 2kds s SER 20 Ca 0.22 0.31 -0.11 0.00 0.48 0.00 0.00 55.95 56.85 2kds s SER 20 Cb -0.15 0.42 -0.05 0.00 0.10 0.00 0.00 66.02 66.33 2kds s SER 20 CO 0.14 -0.47 0.35 -0.54 0.98 0.00 0.00 173.24 173.70 2kds s LYS 21 N -1.17 3.77 0.05 4.02 3.01 -1.26 -1.60 119.74 126.56 2kds s LYS 21 Ca -0.12 0.22 -0.01 0.00 -1.01 0.00 0.00 55.97 55.06 2kds s LYS 21 Cb -0.04 -3.14 -0.04 0.00 -1.01 0.00 0.00 37.83 33.60 2kds s LYS 21 CO 0.05 0.67 -0.03 0.00 0.51 0.00 0.00 175.35 176.55 2kds s VAL 23 N -3.60 3.08 -0.10 0.00 1.01 0.25 0.11 120.40 121.15 2kds s VAL 23 Ca 0.05 -0.69 -0.15 0.00 0.00 0.00 0.00 61.98 61.19 2kds s VAL 23 Cb 0.06 -2.24 -0.05 0.00 0.00 0.00 0.00 36.38 34.15 2kds s VAL 23 CO -0.08 0.56 0.36 -0.63 0.00 0.00 0.00 175.10 175.31 2kds s ILE 24 N -0.27 5.21 -0.45 2.22 1.01 -1.11 -0.03 121.20 127.78 2kds s ILE 24 Ca 0.02 0.71 0.06 0.00 0.00 0.00 0.00 60.65 61.44 2kds s ILE 24 Cb -0.13 -3.69 0.20 0.00 0.01 0.00 0.00 42.46 38.85 2kds s ILE 24 CO 0.03 0.45 0.56 0.52 0.00 0.00 0.00 174.94 176.49 2kds n VAL 25 N 2.95 -0.61 0.00 2.92 0.31 -0.42 -3.91 118.33 119.58 2kds n VAL 25 Ca -0.12 -2.55 0.00 0.00 -0.01 0.00 0.00 64.34 61.66 2kds n VAL 25 Cb 0.52 -0.50 0.00 0.00 -0.91 0.00 0.00 33.84 32.95 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 2.47 0.00 -4.15 4.52 2.03 -1.26 -4.05 116.55 116.10 2kds n ASP 26 Ca 0.22 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.20 2kds n ASP 26 Cb 0.53 0.00 -0.16 0.00 -0.72 0.00 0.00 41.12 40.77 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 -1.82 2.15 -0.13 5.18 1.01 -1.26 -3.14 121.20 123.19 2kds s ILE 27 Ca 0.00 -0.92 0.02 0.00 0.00 0.00 0.00 60.65 59.75 2kds s ILE 27 Cb 0.00 -1.89 -0.09 0.00 0.01 0.00 0.00 42.46 40.48 2kds s ILE 27 CO 0.00 0.54 -0.10 -0.38 0.00 0.00 0.00 174.94 175.00 2kds n ILE 28 N 4.42 0.77 -3.82 2.92 5.41 -1.21 -4.99 119.36 122.86 2kds n ILE 28 Ca -0.20 -0.31 -0.05 0.00 1.00 0.00 0.00 62.75 63.18 2kds n ILE 28 Cb 0.51 -0.95 0.00 0.00 -0.71 0.00 0.00 39.64 38.49 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 -5.19 -0.11 0.28 4.38 2.15 -1.24 -4.98 116.67 111.97 2kds s ASP 29 Ca -0.17 -0.65 -0.02 0.00 0.43 0.00 0.00 52.55 52.15 2kds s ASP 29 Cb 0.04 0.60 0.44 0.00 -0.30 0.00 0.00 42.92 43.71 2kds s ASP 29 CO 0.33 -1.15 1.91 0.44 -0.17 0.00 0.00 175.17 176.52 2kds h ASP 30 N 2.00 0.99 -0.14 -0.34 3.32 -2.04 -3.01 116.42 117.20 2kds h ASP 30 Ca -0.26 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.79 2kds h ASP 30 Cb 1.23 -0.21 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2kds h ASP 30 CO 0.31 0.65 0.00 0.59 -1.72 0.00 0.00 179.24 179.07 2kds n ASN 31 N -4.47 3.13 -4.29 6.45 3.02 -1.26 -4.96 115.26 112.88 2kds n ASN 31 Ca 0.14 -1.99 -0.29 0.00 -0.03 0.00 0.00 54.58 52.41 2kds n ASN 31 Cb 0.15 -0.08 -0.15 0.00 -0.61 0.00 0.00 39.78 39.09 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 -1.84 2.12 0.16 3.10 0.40 -1.14 -1.52 117.98 119.26 2kds s PHE 32 Ca 0.32 -0.40 0.03 0.00 -0.60 0.00 0.00 56.93 56.27 2kds s PHE 32 Cb 0.21 -1.31 -0.05 0.00 0.51 0.00 0.00 43.02 42.39 2kds s PHE 32 CO 0.31 0.06 -0.04 0.14 0.70 0.00 0.00 175.22 176.38 2kds s VAL 33 N -0.71 0.86 -0.17 -0.44 -7.23 -0.98 -3.33 120.40 108.40 2kds s VAL 33 Ca 0.10 -2.00 -0.08 0.00 -1.81 0.00 0.00 61.98 58.19 2kds s VAL 33 Cb -0.09 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.82 2kds s VAL 33 CO 0.01 -0.61 0.11 -0.22 -0.31 0.00 0.00 175.10 174.07 2kds s LEU 34 N -3.16 4.12 0.04 1.32 2.96 -1.19 -2.31 118.68 120.47 2kds s LEU 34 Ca 0.20 0.25 0.08 0.00 -0.22 0.00 0.00 54.13 54.43 2kds s LEU 34 Cb 0.05 -2.04 -0.03 0.00 0.50 0.00 0.00 46.19 44.68 2kds s LEU 34 CO 0.02 0.25 -0.22 0.68 -1.32 0.00 0.00 176.35 175.76 2kds s VAL 35 N -0.06 1.77 0.04 1.68 -7.23 0.14 -1.30 120.40 115.45 2kds s VAL 35 Ca 0.09 -1.22 -0.08 0.00 -1.81 0.00 0.00 61.98 58.96 2kds s VAL 35 Cb -0.12 -1.53 -0.00 0.00 0.56 0.00 0.00 36.38 35.30 2kds s VAL 35 CO 0.00 0.25 0.15 0.28 -0.31 0.00 0.00 175.10 175.48 2kds s THR 36 N -0.78 0.12 0.19 5.32 -1.32 0.96 -0.38 115.64 119.75 2kds s THR 36 Ca 0.08 -1.03 -0.17 0.00 -1.21 0.00 0.00 61.69 59.36 2kds s THR 36 Cb -0.09 -0.97 0.03 0.00 -1.51 0.00 0.00 72.50 69.96 2kds s THR 36 CO 0.02 -0.57 0.51 -0.83 -2.21 0.00 0.00 174.62 171.54 2kds s GLY 37 N -2.21 -0.08 -0.11 6.08 0.00 -1.00 0.88 107.32 110.88 2kds s GLY 37 Ca -0.04 -0.23 -0.29 0.00 0.00 0.00 0.00 44.72 44.16 2kds s GLY 37 CO -0.05 -0.28 1.95 2.56 0.00 0.00 0.00 173.10 177.28 2kds s PRO 38 N -3.87 3.73 0.39 2.90 0.04 -1.25 -4.08 135.00 132.87 2kds s PRO 38 Ca 0.09 2.18 0.07 0.00 0.04 0.00 0.00 61.00 63.38 2kds s PRO 38 Cb -0.01 -4.19 0.82 0.00 0.04 0.00 0.00 34.50 31.16 2kds s PRO 38 CO -0.03 -1.41 2.02 -0.22 0.04 0.00 0.00 177.00 177.40 2kds h LYS 39 N 12.04 0.62 -0.74 4.56 3.64 -1.85 -2.52 116.57 132.32 2kds h LYS 39 Ca -0.43 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 58.88 2kds h LYS 39 Cb 1.22 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.86 2kds h LYS 39 CO 0.96 0.41 0.32 -0.44 -2.27 0.00 0.00 179.45 178.42 2kds h ASP 40 N 0.63 1.01 0.00 4.20 3.32 -1.89 -3.17 116.42 120.52 2kds h ASP 40 Ca 0.22 -0.16 0.00 0.00 0.02 0.00 0.00 57.03 57.11 2kds h ASP 40 Cb 0.10 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.38 2kds h ASP 40 CO -0.06 0.89 0.00 -0.38 -1.72 0.00 0.00 179.24 177.97 2kds n ILE 41 N -4.35 0.00 -0.10 0.35 5.41 -1.00 -4.69 119.36 114.97 2kds n ILE 41 Ca 0.06 0.07 0.01 0.00 1.00 0.00 0.00 62.75 63.89 2kds n ILE 41 Cb 0.17 -0.99 0.30 0.00 -0.71 0.00 0.00 39.64 38.40 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 -3.46 112.91 112.29 2kds h THR 42 Ca 0.00 -0.46 0.00 0.00 0.77 0.00 0.00 66.41 66.72 2kds h THR 42 Cb 0.00 0.45 0.00 0.00 -1.74 0.00 0.00 68.15 66.86 2kds h THR 42 CO 0.00 0.20 0.00 0.61 0.37 0.00 0.00 175.52 176.70 2kds n GLY 43 N -1.24 0.33 3.74 2.16 0.00 -0.98 -4.96 105.19 104.23 2kds n GLY 43 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.02 5.11 0.00 1.61 -7.23 -1.26 -4.78 120.40 111.83 2kds s VAL 44 Ca 0.00 1.06 0.00 0.00 -1.81 0.00 0.00 61.98 61.23 2kds s VAL 44 Cb 0.00 -3.86 0.00 0.00 0.56 0.00 0.00 36.38 33.08 2kds s VAL 44 CO 0.00 0.35 0.00 1.17 -0.31 0.00 0.00 175.10 176.31 2kds n LYS 45 N 3.37 0.00 -3.68 4.82 4.81 -1.26 -2.85 118.16 123.38 2kds n LYS 45 Ca -0.07 0.03 -0.09 0.00 -0.87 0.00 0.00 58.31 57.31 2kds n LYS 45 Cb 0.51 -0.23 -0.10 0.00 0.02 0.00 0.00 35.03 35.23 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 0.40 0.21 1.64 3.52 -1.26 -2.38 118.95 120.90 2kds s ARG 46 Ca 0.00 0.93 -0.17 0.00 -0.13 0.00 0.00 55.73 56.36 2kds s ARG 46 Cb 0.00 0.14 0.02 0.00 -1.56 0.00 0.00 34.95 33.55 2kds s ARG 46 CO 0.00 -0.19 0.52 -0.98 -0.81 0.00 0.00 175.30 173.84 2kds s ARG 47 N 1.89 1.42 -0.07 5.12 1.70 0.48 -4.98 118.95 124.52 2kds s ARG 47 Ca -0.07 -0.94 0.02 0.00 -0.47 0.00 0.00 55.73 54.27 2kds s ARG 47 Cb -0.09 0.51 -0.03 0.00 -0.57 0.00 0.00 34.95 34.77 2kds s ARG 47 CO -0.14 -0.60 -0.12 0.50 -1.08 0.00 0.00 175.30 173.86 2kds s ARG 48 N -3.90 2.70 0.08 3.89 3.52 -1.26 0.26 118.95 124.23 2kds s ARG 48 Ca 0.12 -0.66 0.04 0.00 -0.13 0.00 0.00 55.73 55.10 2kds s ARG 48 Cb -0.01 -2.47 -0.03 0.00 -1.56 0.00 0.00 34.95 30.88 2kds s ARG 48 CO -0.00 0.57 -0.12 0.14 -0.81 0.00 0.00 175.30 175.08 2kds s VAL 49 N -0.58 0.97 0.54 7.11 -7.23 -0.98 -4.97 120.40 115.26 2kds s VAL 49 Ca 0.08 -1.38 -0.05 0.00 -1.81 0.00 0.00 61.98 58.82 2kds s VAL 49 Cb -0.11 -1.09 -0.01 0.00 0.56 0.00 0.00 36.38 35.73 2kds s VAL 49 CO 0.01 -0.36 0.84 0.20 -0.31 0.00 0.00 175.10 175.49 2kds s ASN 50 N -1.95 5.83 0.60 4.85 0.01 -1.26 -2.31 114.94 120.71 2kds s ASN 50 Ca -0.01 0.74 0.30 0.00 -0.71 0.00 0.00 52.86 53.18 2kds s ASN 50 Cb -0.08 -1.86 1.75 0.00 0.41 0.00 0.00 41.25 41.47 2kds s ASN 50 CO 0.01 -0.87 2.15 0.40 -1.51 0.00 0.00 177.10 177.28 2kds h ILE 51 N 0.01 0.43 -0.79 0.60 2.04 -1.65 -1.76 117.51 116.39 2kds h ILE 51 Ca -0.46 0.00 0.12 0.00 1.00 0.00 0.00 64.86 65.52 2kds h ILE 51 Cb 1.24 0.88 -0.06 0.00 -0.74 0.00 0.00 36.82 38.14 2kds h ILE 51 CO 0.61 0.00 0.52 -0.07 0.00 0.00 0.00 178.15 179.21 2kds h LEU 52 N 0.00 0.57 -7.42 1.44 3.38 -1.93 -3.09 115.31 108.26 2kds h LEU 52 Ca 0.06 0.02 -0.68 0.00 0.09 0.00 0.00 57.88 57.37 2kds h LEU 52 Cb 0.35 -0.09 -0.37 0.00 0.09 0.00 0.00 40.66 40.64 2kds h LEU 52 CO -0.00 0.32 -0.40 -1.00 0.09 0.00 0.00 178.44 177.45 2kds s HIS 53 N -5.59 3.46 -0.08 1.13 3.76 -0.66 -5.04 115.29 112.28 2kds s HIS 53 Ca -0.09 -2.95 0.02 0.00 -0.15 0.00 0.00 55.06 51.88 2kds s HIS 53 Cb 0.21 -3.07 0.02 0.00 1.11 0.00 0.00 32.58 30.85 2kds s HIS 53 CO 0.78 -0.76 -0.12 -1.17 -0.85 0.00 0.00 174.74 172.62 2kds s LEU 54 N -0.54 1.58 -0.44 0.89 2.96 -1.17 -4.65 118.68 117.31 2kds s LEU 54 Ca 0.20 -0.31 0.02 0.00 -0.22 0.00 0.00 54.13 53.82 2kds s LEU 54 Cb -0.17 -0.86 0.15 0.00 0.50 0.00 0.00 46.19 45.81 2kds s LEU 54 CO -0.06 0.01 0.28 -0.70 -1.32 0.00 0.00 176.35 174.55 2kds s GLU 55 N 0.87 1.14 0.17 1.98 2.56 -1.26 -5.04 118.70 119.12 2kds s GLU 55 Ca -0.11 -1.98 -0.10 0.00 0.00 0.00 0.00 54.97 52.79 2kds s GLU 55 Cb -0.15 -2.00 -0.07 0.00 2.00 0.00 0.00 34.13 33.91 2kds s GLU 55 CO 0.01 -1.23 0.49 -1.25 -0.56 0.00 0.00 175.26 172.72 2kds s PRO 56 N 0.31 3.80 0.46 4.30 0.04 -1.26 -2.12 135.00 140.52 2kds s PRO 56 Ca 0.21 0.24 0.08 0.00 0.04 0.00 0.00 61.00 61.57 2kds s PRO 56 Cb -0.17 -2.81 0.02 0.00 0.04 0.00 0.00 34.50 31.59 2kds s PRO 56 CO -0.05 0.42 0.57 0.95 0.04 0.00 0.00 177.00 178.94 2kds s THR 57 N -1.63 2.67 -1.29 1.26 -4.23 -0.94 -4.97 115.64 106.51 2kds s THR 57 Ca 0.41 -1.09 0.03 0.00 -1.18 0.00 0.00 61.69 59.86 2kds s THR 57 Cb -0.13 -2.77 0.12 0.00 1.34 0.00 0.00 72.50 71.06 2kds s THR 57 CO 0.21 0.00 0.84 -0.90 -0.54 0.00 0.00 174.62 174.22 2kds n ASP 58 N -1.87 1.34 -4.72 3.99 5.68 -1.26 -4.70 116.55 115.01 2kds n ASP 58 Ca 0.08 -2.09 -0.39 0.00 -0.50 0.00 0.00 54.79 51.89 2kds n ASP 58 Cb 0.60 -0.37 -0.05 0.00 -1.14 0.00 0.00 41.12 40.17 2kds n ASP 58 CO 0.00 0.00 0.00 -0.75 -1.33 0.00 0.00 177.20 175.12 2kds s LYS 59 N -1.48 4.42 -0.08 0.11 2.20 -1.26 -5.06 119.74 118.59 2kds s LYS 59 Ca 0.08 0.80 -0.01 0.00 -0.36 0.00 0.00 55.97 56.49 2kds s LYS 59 Cb 0.06 -3.44 0.03 0.00 -1.51 0.00 0.00 37.83 32.96 2kds s LYS 59 CO 0.03 0.09 -0.03 0.21 -0.36 0.00 0.00 175.35 175.29 2kds s LYS 60 N 0.75 0.97 0.00 4.03 2.20 -1.26 -3.78 119.74 122.65 2kds s LYS 60 Ca 0.35 -0.04 0.08 0.00 -0.36 0.00 0.00 55.97 56.00 2kds s LYS 60 Cb -0.17 -1.19 -0.02 0.00 -1.51 0.00 0.00 37.83 34.93 2kds s LYS 60 CO 0.17 -0.27 -0.23 0.42 -0.36 0.00 0.00 175.35 175.07 2kds s ILE 61 N 1.80 2.33 -0.11 5.43 -1.09 -1.26 -4.91 121.20 123.38 2kds s ILE 61 Ca 0.04 -1.13 -0.22 0.00 -2.23 0.00 0.00 60.65 57.11 2kds s ILE 61 Cb -0.13 -1.88 -0.03 0.00 -1.58 0.00 0.00 42.46 38.85 2kds s ILE 61 CO -0.06 0.49 0.64 1.51 -1.23 0.00 0.00 174.94 176.30 2kds s ASP 62 N -0.90 6.85 0.24 3.58 1.47 -1.26 -4.37 116.67 122.28 2kds s ASP 62 Ca 0.11 1.03 0.07 0.00 1.18 0.00 0.00 52.55 54.94 2kds s ASP 62 Cb -0.10 -2.37 -0.05 0.00 -0.34 0.00 0.00 42.92 40.06 2kds s ASP 62 CO 0.01 -0.14 -0.09 0.27 0.68 0.00 0.00 175.17 175.90 2kds s ILE 63 N 1.07 1.62 0.00 2.11 -0.00 -1.26 -5.13 121.20 119.61 2kds s ILE 63 Ca 0.33 -2.15 0.00 0.00 -0.00 0.00 0.00 60.65 58.82 2kds s ILE 63 Cb -0.17 -2.24 0.00 0.00 -0.00 0.00 0.00 42.46 40.05 2kds s ILE 63 CO 0.14 -0.45 0.00 0.00 -0.00 0.00 0.00 174.94 174.64 2kds n GLN 64 N -0.47 0.00 -3.21 0.37 6.02 -1.26 -5.06 117.38 113.77 2kds n GLN 64 Ca -0.07 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 56.96 2kds n GLN 64 Cb 0.62 0.00 -0.04 0.00 1.02 0.00 0.00 30.24 31.84 2kds n GLN 64 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 2kds s LYS 65 N 0.00 0.08 -0.12 -1.09 2.20 -1.26 -4.95 119.74 114.59 2kds s LYS 65 Ca 0.00 0.19 0.00 0.00 -0.36 0.00 0.00 55.97 55.80 2kds s LYS 65 Cb 0.00 0.11 0.00 0.00 -1.51 0.00 0.00 37.83 36.43 2kds s LYS 65 CO 0.00 -0.03 0.00 0.41 -0.36 0.00 0.00 175.35 175.37 2kds n GLY 66 N 4.69 0.46 3.55 5.54 0.00 -1.26 -4.98 105.19 113.20 2kds n GLY 66 Ca -0.07 -1.03 -0.40 0.00 0.00 0.00 0.00 46.02 44.53 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 0.89 -0.39 -1.02 4.61 0.00 -1.26 -4.94 120.51 118.40 2kds n ALA 67 Ca -0.01 0.10 -0.30 0.00 0.00 0.00 0.00 53.44 53.22 2kds n ALA 67 Cb 0.07 -1.98 0.15 0.00 0.00 0.00 0.00 19.45 17.68 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 -1.02 3.26 0.20 0.00 1.04 -1.26 -4.49 113.70 111.43 2kds s SER 68 Ca 0.68 1.72 -0.11 0.00 0.48 0.00 0.00 55.95 58.72 2kds s SER 68 Cb -0.50 -2.35 0.19 0.00 0.10 0.00 0.00 66.02 63.46 2kds s SER 68 CO 0.54 -2.81 1.82 0.44 0.98 0.00 0.00 173.24 174.21 2kds h ASP 69 N -1.67 0.60 -0.76 7.02 3.32 -1.98 1.02 116.42 123.98 2kds h ASP 69 Ca -0.48 0.01 -0.05 0.00 0.02 0.00 0.00 57.03 56.53 2kds h ASP 69 Cb 1.27 -0.11 -0.03 0.00 0.22 0.00 0.00 39.33 40.68 2kds h ASP 69 CO 0.50 0.41 0.29 -0.33 -1.72 0.00 0.00 179.24 178.40 2kds h GLU 70 N 0.73 1.15 -0.34 3.56 5.08 -2.00 -0.04 114.58 122.71 2kds h GLU 70 Ca 0.27 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.31 2kds h GLU 70 Cb 0.09 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 2kds h GLU 70 CO -0.13 0.94 -0.25 0.93 -1.00 0.00 0.00 179.01 179.49 2kds h GLU 71 N 1.12 0.69 -0.71 2.33 5.08 -1.64 -2.97 114.58 118.47 2kds h GLU 71 Ca 0.26 -0.28 -0.03 0.00 -1.00 0.00 0.00 59.36 58.31 2kds h GLU 71 Cb 0.23 -0.03 -0.03 0.00 0.50 0.00 0.00 28.75 29.42 2kds h GLU 71 CO -0.02 0.87 0.33 0.28 -1.00 0.00 0.00 179.01 179.47 2kds h VAL 72 N 0.60 1.24 -0.96 3.13 2.07 0.21 -2.43 116.25 120.11 2kds h VAL 72 Ca 0.08 -0.68 0.04 0.00 0.82 0.00 0.00 66.70 66.96 2kds h VAL 72 Cb 0.74 0.37 -0.06 0.00 -1.52 0.00 0.00 31.29 30.83 2kds h VAL 72 CO 0.06 0.28 0.63 0.11 0.02 0.00 0.00 177.57 178.67 2kds h LYS 73 N 1.00 1.17 -0.93 1.57 1.57 -0.89 -2.23 116.57 117.82 2kds h LYS 73 Ca 0.24 -0.07 0.02 0.00 -1.87 0.00 0.00 60.65 58.97 2kds h LYS 73 Cb 0.14 -0.26 -0.05 0.00 0.08 0.00 0.00 32.23 32.13 2kds h LYS 73 CO -0.03 0.77 0.61 0.87 -0.57 0.00 0.00 179.45 181.11 2kds h LYS 74 N 1.20 1.19 -0.26 3.15 1.57 -1.37 -2.35 116.57 119.71 2kds h LYS 74 Ca 0.38 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 59.09 2kds h LYS 74 Cb 0.02 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.05 2kds h LYS 74 CO -0.12 0.79 0.14 0.87 -0.57 0.00 0.00 179.45 180.56 2kds h LYS 75 N 1.22 0.35 -0.79 3.15 6.56 -1.33 -2.20 116.57 123.53 2kds h LYS 75 Ca 0.35 -0.03 0.04 0.00 -1.06 0.00 0.00 60.65 59.96 2kds h LYS 75 Cb -0.08 -0.07 -0.05 0.00 -0.57 0.00 0.00 32.23 31.46 2kds h LYS 75 CO -0.09 0.26 0.52 -0.07 -2.06 0.00 0.00 179.45 178.00 2kds h LEU 76 N 0.35 0.83 -1.74 2.94 4.07 -1.40 0.23 115.31 120.60 2kds h LEU 76 Ca 0.09 -0.01 0.08 0.00 0.08 0.00 0.00 57.88 58.12 2kds h LEU 76 Cb 0.01 -0.19 -0.03 0.00 1.08 0.00 0.00 40.66 41.53 2kds h LEU 76 CO -0.02 0.56 0.32 -0.33 -1.08 0.00 0.00 178.44 177.90 2kds h GLU 77 N 0.96 0.31 -0.30 1.13 4.39 -1.48 1.61 114.58 121.20 2kds h GLU 77 Ca 0.32 -0.02 -0.05 0.00 0.34 0.00 0.00 59.36 59.95 2kds h GLU 77 Cb 0.07 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 28.64 2kds h GLU 77 CO -0.10 0.20 -0.02 0.93 -1.16 0.00 0.00 179.01 178.86 2kds h GLU 78 N 0.32 0.47 0.00 2.33 5.08 -0.65 0.35 114.58 122.48 2kds h GLU 78 Ca 0.21 -0.10 -0.04 0.00 -1.00 0.00 0.00 59.36 58.43 2kds h GLU 78 Cb 0.43 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.61 2kds h GLU 78 CO -0.05 0.51 -0.19 0.66 -1.00 0.00 0.00 179.01 178.94 2kds h SER 79 N 0.45 0.00 -5.07 1.42 4.64 0.26 -3.45 113.55 111.80 2kds h SER 79 Ca 0.10 0.00 -0.37 0.00 -0.47 0.00 0.00 61.79 61.05 2kds h SER 79 Cb 0.33 0.00 0.11 0.00 -0.31 0.00 0.00 62.40 62.53 2kds h SER 79 CO 0.01 0.19 -0.61 0.59 -0.87 0.00 0.00 176.83 176.15 2kds n ASN 80 N -3.86 -5.97 0.17 4.97 5.03 0.12 -4.85 115.26 110.87 2kds n ASN 80 Ca -0.02 -0.43 0.02 0.00 0.87 0.00 0.00 54.58 55.02 2kds n ASN 80 Cb 0.29 -4.65 0.31 0.00 -1.02 0.00 0.00 39.78 34.71 2kds n ASN 80 CO 0.00 0.00 0.00 0.25 -1.83 0.00 0.00 177.26 175.68 2kds h LEU 81 N -2.14 0.00 -1.55 3.41 5.85 -1.79 -2.34 115.31 116.74 2kds h LEU 81 Ca -0.51 0.00 0.44 0.00 0.84 0.00 0.00 57.88 58.65 2kds h LEU 81 Cb 1.34 0.00 -0.11 0.00 0.37 0.00 0.00 40.66 42.26 2kds h LEU 81 CO 0.52 0.44 0.94 0.74 -0.34 0.00 0.00 178.44 180.74 2kds h THR 82 N 0.00 0.14 0.00 1.05 2.02 -1.89 -3.33 112.91 110.90 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 0.80 0.06 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 2kds h THR 82 CO 0.06 0.01 0.00 1.21 0.37 0.00 0.00 175.52 177.17 2kds n GLU 83 N -4.52 0.54 -0.27 6.66 2.13 -1.23 -4.87 120.64 119.08 2kds n GLU 83 Ca 0.37 0.00 -0.05 0.00 0.66 0.00 0.00 57.16 58.14 2kds n GLU 83 Cb 1.50 -0.04 0.06 0.00 0.27 0.00 0.00 31.44 33.22 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 1.00 0.00 4.31 3.20 -1.54 -3.44 116.97 120.51 2kds h TYR 84 Ca 0.00 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 61.85 2kds h TYR 84 Cb 0.00 -0.32 0.00 0.00 1.54 0.00 0.00 36.73 37.95 2kds h TYR 84 CO 0.00 0.70 0.00 -1.33 -1.64 0.00 0.00 178.16 175.89 2kds n MET 85 N -4.47 0.00 -2.85 1.82 2.81 -1.25 -4.90 117.12 108.28 2kds n MET 85 Ca 0.06 0.00 -0.21 0.00 -1.81 0.00 0.00 57.70 55.74 2kds n MET 85 Cb 0.09 0.00 0.01 0.00 -0.71 0.00 0.00 33.22 32.61 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 -3.63 -0.10 0.03 5.02 -1.26 -4.85 118.16 113.37 2kds n LYS 86 Ca 0.00 0.85 -0.07 0.00 -2.02 0.00 0.00 58.31 57.07 2kds n LYS 86 Cb 0.00 -5.62 0.10 0.00 -0.02 0.00 0.00 35.03 29.48 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 -0.84 0.80 0.00 1.97 5.08 -1.95 -3.49 114.58 116.15 2kds h GLU 87 Ca -0.49 -0.30 0.00 0.00 -1.00 0.00 0.00 59.36 57.58 2kds h GLU 87 Cb 1.34 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 30.54 2kds h GLU 87 CO 0.55 0.91 0.00 1.63 -1.00 0.00 0.00 179.01 181.10 2kds n LYS 88 N -4.14 0.00 0.00 2.33 5.02 -1.26 -4.91 118.16 115.20 2kds n LYS 88 Ca 0.01 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.30 2kds n LYS 88 Cb 0.40 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 2kds n LYS 88 CO 0.00 0.00 0.00 1.51 -0.52 0.00 0.00 177.40 178.39 2kds n ILE 89 N 0.00 0.00 -3.90 -0.18 3.06 -1.22 -4.37 119.36 112.75 2kds n ILE 89 Ca 0.00 0.00 -0.16 0.00 -2.50 0.00 0.00 62.75 60.09 2kds n ILE 89 Cb 0.00 0.00 -0.16 0.00 0.54 0.00 0.00 39.64 40.02 2kds n ILE 89 CO 0.00 0.00 0.00 -0.54 -2.50 0.00 0.00 176.55 173.51 2kds s LYS 90 N 1.87 0.22 -0.06 9.51 1.02 -1.26 -5.03 119.74 126.01 2kds s LYS 90 Ca 0.00 0.09 0.02 0.00 0.02 0.00 0.00 55.97 56.10 2kds s LYS 90 Cb 0.00 -0.41 0.01 0.00 -0.52 0.00 0.00 37.83 36.92 2kds s LYS 90 CO 0.00 -0.13 -0.11 -1.50 -0.92 0.00 0.00 175.35 172.70 2kds s ILE 91 N 0.94 1.02 -0.02 2.17 2.07 -1.26 -5.13 121.20 120.99 2kds s ILE 91 Ca -0.09 -0.41 0.01 0.00 -1.41 0.00 0.00 60.65 58.75 2kds s ILE 91 Cb -0.13 -0.94 0.01 0.00 0.13 0.00 0.00 42.46 41.53 2kds s ILE 91 CO -0.02 0.33 -0.03 -0.13 -1.91 0.00 0.00 174.94 173.18 2kds s ARG 92 N 0.72 0.47 0.15 3.50 0.52 -1.26 -4.96 118.95 118.08 2kds s ARG 92 Ca -0.14 -0.06 0.00 0.00 -0.52 0.00 0.00 55.73 55.01 2kds s ARG 92 Cb -0.15 -0.53 0.00 0.00 0.52 0.00 0.00 34.95 34.79 2kds s ARG 92 CO 0.03 -0.03 0.00 -1.33 0.02 0.00 0.00 175.30 173.99 2kds n MET 93 N 3.66 0.00 0.32 3.54 2.81 -1.26 -4.87 117.12 121.32 2kds n MET 93 Ca -0.21 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 55.87 2kds n MET 93 Cb 0.53 0.00 1.05 0.00 -0.71 0.00 0.00 33.22 34.09 2kds n MET 93 CO 0.00 0.00 0.00 -1.35 1.51 0.00 0.00 175.97 176.13 2kds h PRO 94 N 0.00 0.00 0.00 0.03 0.11 -2.08 0.98 132.00 131.04 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 0.01 -0.33 1.79 -0.21 0.00 0.00 178.00 179.26 2kds h THR 95 N 0.00 0.69 -0.02 -1.15 1.35 -1.95 -3.57 112.91 108.26 2kds h THR 95 Ca -0.00 -1.53 0.00 0.00 -0.55 0.00 0.00 66.41 64.33 2kds h THR 95 Cb 0.07 2.01 0.00 0.00 -1.73 0.00 0.00 68.15 68.49 2kds h THR 95 CO 0.00 0.32 0.00 0.18 -0.25 0.00 0.00 175.52 175.77