#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 0.00 -2.66 0.55 0.00 -1.26 -4.47 120.51 112.67 2kds n ALA 3 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.12 2kds n ALA 3 Cb 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 19.45 19.30 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 0.00 2.48 0.05 0.00 1.01 -1.26 -5.13 121.20 118.35 2kds s ILE 4 Ca 0.00 -0.92 0.04 0.00 0.00 0.00 0.00 60.65 59.77 2kds s ILE 4 Cb 0.00 -1.94 -0.02 0.00 0.01 0.00 0.00 42.46 40.51 2kds s ILE 4 CO 0.00 0.57 -0.13 -1.61 0.00 0.00 0.00 174.94 173.77 2kds s GLU 5 N -0.30 0.78 0.07 2.79 2.02 -1.26 -5.15 118.70 117.65 2kds s GLU 5 Ca 0.01 -0.82 0.02 0.00 0.02 0.00 0.00 54.97 54.20 2kds s GLU 5 Cb -0.13 -0.75 -0.03 0.00 0.10 0.00 0.00 34.13 33.32 2kds s GLU 5 CO 0.02 0.17 -0.08 0.54 0.02 0.00 0.00 175.26 175.94 2kds s VAL 6 N -1.10 0.65 0.00 2.63 0.11 -1.26 -4.77 120.40 116.66 2kds s VAL 6 Ca -0.02 -1.51 0.00 0.00 -2.93 0.00 0.00 61.98 57.52 2kds s VAL 6 Cb -0.09 -1.15 0.00 0.00 -1.53 0.00 0.00 36.38 33.61 2kds s VAL 6 CO 0.01 -0.61 0.00 0.61 -3.33 0.00 0.00 175.10 171.78 2kds n GLY 7 N 0.72 0.76 3.75 6.54 0.00 -1.13 -2.29 105.19 113.52 2kds n GLY 7 Ca -0.17 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.51 2.18 -0.12 1.61 0.52 -1.18 -2.64 118.95 118.81 2kds s ARG 8 Ca 0.00 1.38 -0.03 0.00 -0.52 0.00 0.00 55.73 56.57 2kds s ARG 8 Cb 0.00 -1.87 -0.03 0.00 0.52 0.00 0.00 34.95 33.56 2kds s ARG 8 CO 0.00 -1.73 -0.02 0.42 0.02 0.00 0.00 175.30 173.99 2kds s ILE 9 N -2.57 4.10 0.15 1.52 -1.09 -1.26 0.90 121.20 122.95 2kds s ILE 9 Ca 0.66 -0.31 0.07 0.00 -2.23 0.00 0.00 60.65 58.84 2kds s ILE 9 Cb -0.21 -2.75 -0.04 0.00 -1.58 0.00 0.00 42.46 37.88 2kds s ILE 9 CO 0.51 0.55 -0.15 0.00 -1.23 0.00 0.00 174.94 174.62 2kds s VAL 11 N -2.31 1.37 -0.04 0.00 1.01 -0.74 0.26 120.40 119.96 2kds s VAL 11 Ca 0.13 -0.72 -0.24 0.00 0.00 0.00 0.00 61.98 61.15 2kds s VAL 11 Cb -0.04 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.14 2kds s VAL 11 CO 0.04 0.39 0.74 -0.75 0.00 0.00 0.00 175.10 175.52 2kds s LYS 12 N -0.21 4.45 -0.15 2.72 2.20 -1.01 -3.87 119.74 123.87 2kds s LYS 12 Ca 0.02 0.96 0.02 0.00 -0.36 0.00 0.00 55.97 56.61 2kds s LYS 12 Cb -0.09 -3.43 0.01 0.00 -1.51 0.00 0.00 37.83 32.82 2kds s LYS 12 CO 0.00 0.09 -0.20 0.08 -0.36 0.00 0.00 175.35 174.97 2kds s VAL 13 N 0.66 1.93 0.03 4.02 1.01 -1.26 -4.06 120.40 122.73 2kds s VAL 13 Ca 0.39 -0.88 -0.09 0.00 0.00 0.00 0.00 61.98 61.39 2kds s VAL 13 Cb -0.18 -1.73 0.00 0.00 0.00 0.00 0.00 36.38 34.46 2kds s VAL 13 CO 0.20 0.52 0.18 -0.54 0.00 0.00 0.00 175.10 175.47 2kds s LYS 14 N 1.05 0.64 -0.61 2.72 1.02 -1.26 -4.98 119.74 118.32 2kds s LYS 14 Ca -0.02 -0.56 -0.24 0.00 0.02 0.00 0.00 55.97 55.17 2kds s LYS 14 Cb -0.14 0.27 0.05 0.00 -0.52 0.00 0.00 37.83 37.49 2kds s LYS 14 CO -0.06 -0.18 0.97 0.20 -0.92 0.00 0.00 175.35 175.36 2kds s GLY 15 N -1.90 1.36 0.00 -3.33 0.00 -1.26 -4.18 107.32 98.01 2kds s GLY 15 Ca -0.08 -1.52 0.00 0.00 0.00 0.00 0.00 44.72 43.13 2kds s GLY 15 CO -0.02 2.09 0.00 -2.13 0.00 0.00 0.00 173.10 173.04 2kds n ARG 16 N 7.69 0.00 0.00 2.90 0.63 -1.26 -4.97 116.66 121.66 2kds n ARG 16 Ca -0.01 0.00 0.00 0.00 -0.92 0.00 0.00 57.85 56.92 2kds n ARG 16 Cb 0.47 0.00 0.00 0.00 0.45 0.00 0.00 32.46 33.38 2kds n ARG 16 CO 0.00 0.00 0.00 0.39 -2.51 0.00 0.00 177.63 175.51 2kds n GLU 17 N 0.23 0.00 0.00 -0.14 -0.58 -1.26 -4.93 120.64 113.96 2kds n GLU 17 Ca 0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 2kds n GLU 17 Cb 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 30.87 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2kds n ALA 18 N 2.25 -0.41 0.00 0.62 0.00 -1.26 -4.84 120.51 116.87 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 0.47 -2.00 3.53 0.00 0.00 -1.26 -4.86 105.19 101.08 2kds n GLY 19 Ca 0.00 0.96 -0.15 0.00 0.00 0.00 0.00 46.02 46.82 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 -0.57 0.08 1.61 1.04 -1.26 -4.74 113.70 109.86 2kds s SER 20 Ca 0.00 0.59 0.07 0.00 0.48 0.00 0.00 55.95 57.09 2kds s SER 20 Cb 0.00 0.47 -0.04 0.00 0.10 0.00 0.00 66.02 66.55 2kds s SER 20 CO 0.00 -0.55 -0.14 -1.59 0.98 0.00 0.00 173.24 171.94 2kds s LYS 21 N -1.29 2.06 0.08 4.02 -2.85 -1.26 -2.41 119.74 118.09 2kds s LYS 21 Ca -0.08 -1.02 -0.04 0.00 -1.00 0.00 0.00 55.97 53.84 2kds s LYS 21 Cb -0.00 -2.24 -0.03 0.00 -2.06 0.00 0.00 37.83 33.50 2kds s LYS 21 CO 0.06 0.52 0.06 0.00 0.10 0.00 0.00 175.35 176.09 2kds s VAL 23 N -3.92 4.80 -0.15 0.00 1.01 0.85 0.15 120.40 123.14 2kds s VAL 23 Ca 0.09 -0.05 -0.16 0.00 0.00 0.00 0.00 61.98 61.86 2kds s VAL 23 Cb 0.07 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.31 2kds s VAL 23 CO -0.08 0.56 0.37 -0.63 0.00 0.00 0.00 175.10 175.32 2kds s ILE 24 N -0.48 5.25 0.00 2.22 1.01 0.26 -1.24 121.20 128.22 2kds s ILE 24 Ca 0.10 0.71 0.00 0.00 0.00 0.00 0.00 60.65 61.46 2kds s ILE 24 Cb -0.12 -3.71 0.00 0.00 0.01 0.00 0.00 42.46 38.64 2kds s ILE 24 CO 0.02 0.34 0.00 0.52 0.00 0.00 0.00 174.94 175.82 2kds n VAL 25 N 3.74 0.00 -1.07 2.92 0.31 0.39 -2.86 118.33 121.77 2kds n VAL 25 Ca -0.10 0.00 -0.30 0.00 -0.01 0.00 0.00 64.34 63.93 2kds n VAL 25 Cb 0.52 -0.10 0.14 0.00 -0.91 0.00 0.00 33.84 33.49 2kds n VAL 25 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 2kds s ASP 26 N -0.48 3.37 -0.17 4.52 2.15 -1.24 -4.52 116.67 120.30 2kds s ASP 26 Ca 0.00 1.68 -0.01 0.00 0.43 0.00 0.00 52.55 54.65 2kds s ASP 26 Cb 0.00 -2.33 -0.01 0.00 -0.30 0.00 0.00 42.92 40.28 2kds s ASP 26 CO 0.00 -2.73 -0.10 -0.51 -0.17 0.00 0.00 175.17 171.65 2kds s ILE 27 N -2.83 3.08 0.13 4.11 2.07 -1.26 0.14 121.20 126.64 2kds s ILE 27 Ca 0.64 -0.62 -0.07 0.00 -1.41 0.00 0.00 60.65 59.18 2kds s ILE 27 Cb -0.19 -2.34 -0.15 0.00 0.13 0.00 0.00 42.46 39.91 2kds s ILE 27 CO 0.58 0.49 1.33 0.40 -1.91 0.00 0.00 174.94 175.83 2kds h ILE 28 N 5.56 1.34 -3.03 2.00 2.04 -1.78 -3.47 117.51 120.17 2kds h ILE 28 Ca -0.33 -2.16 0.05 0.00 1.00 0.00 0.00 64.86 63.41 2kds h ILE 28 Cb 1.19 2.16 -0.07 0.00 -0.74 0.00 0.00 36.82 39.36 2kds h ILE 28 CO 0.58 0.66 0.21 -0.62 0.00 0.00 0.00 178.15 178.98 2kds s ASP 29 N -7.08 -0.32 0.32 1.72 2.15 -0.57 -4.93 116.67 107.96 2kds s ASP 29 Ca -0.08 -0.49 0.02 0.00 0.43 0.00 0.00 52.55 52.44 2kds s ASP 29 Cb 0.09 0.69 0.60 0.00 -0.30 0.00 0.00 42.92 44.01 2kds s ASP 29 CO 0.88 -1.26 1.92 0.44 -0.17 0.00 0.00 175.17 176.98 2kds h ASP 30 N 2.01 0.83 0.87 -0.34 3.32 -2.03 -2.06 116.42 119.03 2kds h ASP 30 Ca -0.23 0.01 -0.23 0.00 0.02 0.00 0.00 57.03 56.60 2kds h ASP 30 Cb 1.26 -0.17 -0.02 0.00 0.22 0.00 0.00 39.33 40.62 2kds h ASP 30 CO 0.27 0.53 -1.10 0.78 -1.72 0.00 0.00 179.24 177.99 2kds h ASN 31 N 0.94 0.12 -3.83 6.45 2.35 -1.96 -3.46 115.58 116.19 2kds h ASN 31 Ca 0.38 -0.13 -0.68 0.00 -0.55 0.00 0.00 56.30 55.31 2kds h ASN 31 Cb 0.26 -0.04 -0.20 0.00 0.05 0.00 0.00 38.32 38.39 2kds h ASN 31 CO -0.14 1.10 -0.75 -0.36 -1.65 0.00 0.00 177.43 175.63 2kds s PHE 32 N -2.69 2.74 0.17 1.19 0.08 -0.77 -1.55 117.98 117.15 2kds s PHE 32 Ca -0.01 -0.13 0.08 0.00 0.12 0.00 0.00 56.93 56.99 2kds s PHE 32 Cb 0.09 -1.57 -0.04 0.00 -0.57 0.00 0.00 43.02 40.92 2kds s PHE 32 CO 0.84 0.29 -0.16 0.14 -0.10 0.00 0.00 175.22 176.22 2kds s VAL 33 N -0.90 1.69 -0.24 -0.44 -7.23 -0.72 -1.51 120.40 111.05 2kds s VAL 33 Ca 0.15 -1.97 -0.10 0.00 -1.81 0.00 0.00 61.98 58.25 2kds s VAL 33 Cb -0.11 -1.84 -0.05 0.00 0.56 0.00 0.00 36.38 34.94 2kds s VAL 33 CO 0.05 -0.42 0.16 -0.22 -0.31 0.00 0.00 175.10 174.35 2kds s LEU 34 N -2.82 4.12 0.12 1.32 0.20 0.38 -2.40 118.68 119.60 2kds s LEU 34 Ca 0.16 0.12 0.05 0.00 0.69 0.00 0.00 54.13 55.16 2kds s LEU 34 Cb -0.04 -2.10 -0.04 0.00 -0.43 0.00 0.00 46.19 43.58 2kds s LEU 34 CO 0.06 0.08 -0.13 0.68 -0.29 0.00 0.00 176.35 176.75 2kds s VAL 35 N 0.98 1.25 0.04 1.68 -7.23 -0.91 -0.46 120.40 115.75 2kds s VAL 35 Ca 0.08 -1.75 -0.04 0.00 -1.81 0.00 0.00 61.98 58.46 2kds s VAL 35 Cb -0.13 -1.54 -0.02 0.00 0.56 0.00 0.00 36.38 35.25 2kds s VAL 35 CO 0.04 -0.48 0.05 0.28 -0.31 0.00 0.00 175.10 174.68 2kds s THR 36 N -2.34 0.15 0.15 5.32 -1.32 -0.37 -2.05 115.64 115.18 2kds s THR 36 Ca 0.09 -1.20 -0.12 0.00 -1.21 0.00 0.00 61.69 59.26 2kds s THR 36 Cb -0.04 -0.91 0.01 0.00 -1.51 0.00 0.00 72.50 70.05 2kds s THR 36 CO 0.02 -0.66 0.33 -0.83 -2.21 0.00 0.00 174.62 171.27 2kds s GLY 37 N -2.18 0.21 -0.27 6.08 0.00 -0.92 -0.10 107.32 110.14 2kds s GLY 37 Ca -0.04 -0.61 -0.29 0.00 0.00 0.00 0.00 44.72 43.78 2kds s GLY 37 CO -0.05 -0.65 1.81 2.56 0.00 0.00 0.00 173.10 176.77 2kds s PRO 38 N -3.91 3.46 0.28 2.90 0.04 -1.23 -4.15 135.00 132.37 2kds s PRO 38 Ca 0.12 1.61 -0.03 0.00 0.04 0.00 0.00 61.00 62.74 2kds s PRO 38 Cb 0.02 -4.18 0.40 0.00 0.04 0.00 0.00 34.50 30.78 2kds s PRO 38 CO -0.04 -1.71 1.92 -0.22 0.04 0.00 0.00 177.00 176.99 2kds h LYS 39 N 12.52 1.16 -0.84 4.56 3.64 -1.79 -2.68 116.57 133.14 2kds h LYS 39 Ca -0.35 -0.07 -0.03 0.00 -1.27 0.00 0.00 60.65 58.93 2kds h LYS 39 Cb 1.18 -0.26 -0.04 0.00 -0.41 0.00 0.00 32.23 32.70 2kds h LYS 39 CO 1.01 0.77 0.40 -0.44 -2.27 0.00 0.00 179.45 178.92 2kds h ASP 40 N 1.19 1.10 0.00 4.20 3.32 -1.88 -3.04 116.42 121.31 2kds h ASP 40 Ca 0.38 -0.13 0.00 0.00 0.02 0.00 0.00 57.03 57.30 2kds h ASP 40 Cb 0.02 -0.28 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2kds h ASP 40 CO -0.12 0.93 0.00 -0.38 -1.72 0.00 0.00 179.24 177.95 2kds n ILE 41 N -4.30 0.00 -0.03 0.35 2.08 -1.09 -4.67 119.36 111.69 2kds n ILE 41 Ca 0.08 0.16 0.01 0.00 0.56 0.00 0.00 62.75 63.56 2kds n ILE 41 Cb 0.14 -1.03 0.32 0.00 -0.75 0.00 0.00 39.64 38.32 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 1.17 0.00 1.39 2.02 -1.73 -3.46 112.91 112.30 2kds h THR 42 Ca 0.00 -0.57 0.00 0.00 0.77 0.00 0.00 66.41 66.61 2kds h THR 42 Cb 0.00 0.71 0.00 0.00 -1.74 0.00 0.00 68.15 67.12 2kds h THR 42 CO 0.00 0.21 0.00 0.61 0.37 0.00 0.00 175.52 176.71 2kds n GLY 43 N -1.10 0.28 3.69 2.16 0.00 -1.03 -5.00 105.19 104.19 2kds n GLY 43 Ca 0.03 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 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 5.06 0.00 1.61 -7.23 -1.25 -4.81 120.40 111.77 2kds s VAL 44 Ca 0.00 1.20 0.00 0.00 -1.81 0.00 0.00 61.98 61.37 2kds s VAL 44 Cb 0.00 -3.94 0.00 0.00 0.56 0.00 0.00 36.38 33.00 2kds s VAL 44 CO 0.00 0.19 0.00 1.17 -0.31 0.00 0.00 175.10 176.15 2kds n LYS 45 N 4.43 0.00 -3.68 4.82 4.81 -1.26 -2.63 118.16 124.65 2kds n LYS 45 Ca -0.03 0.02 -0.10 0.00 -0.87 0.00 0.00 58.31 57.33 2kds n LYS 45 Cb 0.51 -0.21 -0.11 0.00 0.02 0.00 0.00 35.03 35.24 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 -0.11 0.31 0.17 1.64 3.52 -1.26 -2.16 118.95 121.06 2kds s ARG 46 Ca 0.00 0.87 -0.17 0.00 -0.13 0.00 0.00 55.73 56.31 2kds s ARG 46 Cb 0.00 0.12 0.03 0.00 -1.56 0.00 0.00 34.95 33.54 2kds s ARG 46 CO 0.00 -0.22 0.47 -0.98 -0.81 0.00 0.00 175.30 173.77 2kds s ARG 47 N 2.06 1.27 -0.10 5.12 1.70 -0.87 -5.03 118.95 123.10 2kds s ARG 47 Ca -0.05 -0.83 -0.09 0.00 -0.47 0.00 0.00 55.73 54.29 2kds s ARG 47 Cb -0.11 0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 34.73 2kds s ARG 47 CO -0.12 -0.52 0.21 0.50 -1.08 0.00 0.00 175.30 174.29 2kds s ARG 48 N -3.86 3.63 -0.01 3.89 3.52 -1.26 -2.15 118.95 122.72 2kds s ARG 48 Ca 0.08 -0.00 0.03 0.00 -0.13 0.00 0.00 55.73 55.71 2kds s ARG 48 Cb 0.00 -3.22 -0.01 0.00 -1.56 0.00 0.00 34.95 30.16 2kds s ARG 48 CO -0.06 0.71 -0.11 0.54 -0.81 0.00 0.00 175.30 175.58 2kds s VAL 49 N -0.89 0.83 0.57 7.11 0.11 -1.01 -4.96 120.40 122.16 2kds s VAL 49 Ca 0.17 -0.46 -0.02 0.00 -2.93 0.00 0.00 61.98 58.74 2kds s VAL 49 Cb -0.13 -0.70 0.03 0.00 -1.53 0.00 0.00 36.38 34.05 2kds s VAL 49 CO 0.06 0.23 0.82 0.54 -3.33 0.00 0.00 175.10 173.42 2kds s ASN 50 N -0.27 5.34 0.56 3.54 4.22 -1.26 -1.76 114.94 125.32 2kds s ASN 50 Ca 0.04 0.26 0.25 0.00 -2.14 0.00 0.00 52.86 51.27 2kds s ASN 50 Cb -0.04 -1.19 1.58 0.00 1.28 0.00 0.00 41.25 42.88 2kds s ASN 50 CO -0.00 -1.13 2.16 0.40 -2.04 0.00 0.00 177.10 176.48 2kds h ILE 51 N -0.04 0.67 -0.85 0.54 2.04 -1.62 -2.63 117.51 115.62 2kds h ILE 51 Ca -0.44 0.00 0.21 0.00 1.00 0.00 0.00 64.86 65.63 2kds h ILE 51 Cb 1.29 0.93 -0.05 0.00 -0.74 0.00 0.00 36.82 38.24 2kds h ILE 51 CO 0.56 0.00 0.58 -0.07 0.00 0.00 0.00 178.15 179.22 2kds h LEU 52 N 0.00 0.27 -6.76 1.44 3.38 -1.93 -3.15 115.31 108.55 2kds h LEU 52 Ca 0.05 0.03 -0.60 0.00 0.09 0.00 0.00 57.88 57.45 2kds h LEU 52 Cb 0.24 -0.02 -0.39 0.00 0.09 0.00 0.00 40.66 40.57 2kds h LEU 52 CO -0.00 0.11 -0.80 -1.00 0.09 0.00 0.00 178.44 176.84 2kds s HIS 53 N -5.28 1.47 -0.07 1.13 3.76 -0.99 -5.09 115.29 110.22 2kds s HIS 53 Ca -0.07 -2.15 0.04 0.00 -0.15 0.00 0.00 55.06 52.73 2kds s HIS 53 Cb 0.22 -1.44 0.00 0.00 1.11 0.00 0.00 32.58 32.47 2kds s HIS 53 CO 0.77 -0.80 -0.18 -1.17 -0.85 0.00 0.00 174.74 172.51 2kds s LEU 54 N 0.51 1.90 -0.42 0.89 2.96 -1.19 -4.70 118.68 118.63 2kds s LEU 54 Ca 0.20 -0.41 0.02 0.00 -0.22 0.00 0.00 54.13 53.71 2kds s LEU 54 Cb -0.19 -1.09 0.14 0.00 0.50 0.00 0.00 46.19 45.54 2kds s LEU 54 CO -0.03 0.13 0.24 -0.70 -1.32 0.00 0.00 176.35 174.68 2kds s GLU 55 N 0.29 1.05 0.37 1.98 -6.30 -1.25 -4.97 118.70 109.87 2kds s GLU 55 Ca -0.11 -1.82 -0.06 0.00 -2.50 0.00 0.00 54.97 50.47 2kds s GLU 55 Cb -0.15 -1.96 -0.05 0.00 0.00 0.00 0.00 34.13 31.97 2kds s GLU 55 CO 0.05 -1.20 0.67 -1.25 0.02 0.00 0.00 175.26 173.55 2kds s PRO 56 N 0.52 3.64 0.39 4.30 0.04 -1.26 -1.79 135.00 140.84 2kds s PRO 56 Ca 0.19 0.15 0.08 0.00 0.04 0.00 0.00 61.00 61.46 2kds s PRO 56 Cb -0.21 -2.51 -0.04 0.00 0.04 0.00 0.00 34.50 31.77 2kds s PRO 56 CO -0.01 0.04 0.20 0.95 0.04 0.00 0.00 177.00 178.22 2kds s THR 57 N -2.34 2.64 -1.09 1.26 -4.23 -0.65 -4.96 115.64 106.26 2kds s THR 57 Ca 0.46 -1.63 0.02 0.00 -1.18 0.00 0.00 61.69 59.36 2kds s THR 57 Cb -0.10 -2.99 0.08 0.00 1.34 0.00 0.00 72.50 70.82 2kds s THR 57 CO 0.34 -0.07 0.69 0.47 -0.54 0.00 0.00 174.62 175.52 2kds n ASP 58 N -1.26 1.30 -4.82 3.99 8.00 -1.26 -4.64 116.55 117.85 2kds n ASP 58 Ca -0.01 -2.08 -0.38 0.00 0.71 0.00 0.00 54.79 53.03 2kds n ASP 58 Cb 0.63 -0.45 -0.06 0.00 -0.02 0.00 0.00 41.12 41.22 2kds n ASP 58 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 2kds s LYS 59 N -1.29 4.06 -0.05 -1.24 1.02 -1.26 -5.06 119.74 115.91 2kds s LYS 59 Ca 0.05 0.57 -0.01 0.00 0.02 0.00 0.00 55.97 56.61 2kds s LYS 59 Cb 0.04 -3.21 0.03 0.00 -0.52 0.00 0.00 37.83 34.17 2kds s LYS 59 CO 0.02 0.65 0.01 0.21 -0.92 0.00 0.00 175.35 175.32 2kds s LYS 60 N -1.15 0.41 0.06 1.68 2.20 -1.26 -3.13 119.74 118.54 2kds s LYS 60 Ca 0.27 0.15 0.09 0.00 -0.36 0.00 0.00 55.97 56.12 2kds s LYS 60 Cb -0.18 -0.76 -0.03 0.00 -1.51 0.00 0.00 37.83 35.35 2kds s LYS 60 CO 0.16 -0.26 -0.26 0.42 -0.36 0.00 0.00 175.35 175.05 2kds s ILE 61 N 1.75 2.13 -0.12 5.43 1.01 -0.97 -4.91 121.20 125.51 2kds s ILE 61 Ca 0.01 -1.44 -0.24 0.00 0.00 0.00 0.00 60.65 58.97 2kds s ILE 61 Cb -0.13 -1.83 -0.02 0.00 0.01 0.00 0.00 42.46 40.49 2kds s ILE 61 CO -0.04 0.31 0.77 1.51 0.00 0.00 0.00 174.94 177.49 2kds s ASP 62 N -1.38 6.97 0.25 3.58 1.47 -1.26 -3.75 116.67 122.55 2kds s ASP 62 Ca 0.12 1.18 0.06 0.00 1.18 0.00 0.00 52.55 55.08 2kds s ASP 62 Cb -0.10 -2.44 -0.05 0.00 -0.34 0.00 0.00 42.92 39.99 2kds s ASP 62 CO 0.03 -0.27 -0.06 0.27 0.68 0.00 0.00 175.17 175.81 2kds s ILE 63 N 1.55 1.49 -2.18 2.11 -0.00 -1.26 -5.03 121.20 117.88 2kds s ILE 63 Ca 0.38 -2.11 0.27 0.00 -0.00 0.00 0.00 60.65 59.18 2kds s ILE 63 Cb -0.17 -2.33 0.66 0.00 -0.00 0.00 0.00 42.46 40.62 2kds s ILE 63 CO 0.15 -0.37 1.89 0.00 -0.00 0.00 0.00 174.94 176.61 2kds n GLN 64 N -0.49 1.30 -1.86 0.37 1.13 -1.26 -5.02 117.38 111.55 2kds n GLN 64 Ca -0.06 -0.44 0.00 0.00 -1.94 0.00 0.00 57.00 54.56 2kds n GLN 64 Cb 0.63 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.54 2kds n GLN 64 CO 0.00 0.00 0.00 1.63 -1.44 0.00 0.00 177.06 177.25 2kds n LYS 65 N -0.43 -3.71 -0.80 -1.09 5.02 -1.26 -4.64 118.16 111.26 2kds n LYS 65 Ca 0.19 2.64 0.00 0.00 -2.02 0.00 0.00 58.31 59.12 2kds n LYS 65 Cb 0.20 -3.05 0.00 0.00 -0.02 0.00 0.00 35.03 32.16 2kds n LYS 65 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 2kds n GLY 66 N 1.24 0.55 3.61 0.72 0.00 -1.26 -5.00 105.19 105.05 2kds n GLY 66 Ca 0.00 -0.44 -0.39 0.00 0.00 0.00 0.00 46.02 45.18 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 0.39 0.24 -1.04 4.61 0.00 -1.26 -4.96 120.51 118.49 2kds n ALA 67 Ca 0.00 0.12 -0.30 0.00 0.00 0.00 0.00 53.44 53.26 2kds n ALA 67 Cb 0.00 -2.10 0.15 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 -0.97 3.14 0.13 0.00 1.04 -1.26 -4.51 113.70 111.27 2kds s SER 68 Ca 0.69 1.63 -0.19 0.00 0.48 0.00 0.00 55.95 58.56 2kds s SER 68 Cb -0.48 -2.28 -0.04 0.00 0.10 0.00 0.00 66.02 63.32 2kds s SER 68 CO 0.52 -2.87 1.78 -0.78 0.98 0.00 0.00 173.24 172.87 2kds h ASP 69 N -1.71 0.31 -0.83 7.02 3.58 -1.97 2.37 116.42 125.18 2kds h ASP 69 Ca -0.50 -0.02 -0.02 0.00 0.42 0.00 0.00 57.03 56.91 2kds h ASP 69 Cb 1.28 -0.08 -0.04 0.00 1.72 0.00 0.00 39.33 42.22 2kds h ASP 69 CO 0.52 0.24 0.45 -0.08 -2.88 0.00 0.00 179.24 177.49 2kds h GLU 70 N 0.35 1.17 -0.60 0.28 4.81 -2.00 0.30 114.58 118.89 2kds h GLU 70 Ca 0.10 -0.14 -0.07 0.00 -0.13 0.00 0.00 59.36 59.12 2kds h GLU 70 Cb -0.02 -0.23 -0.03 0.00 0.63 0.00 0.00 28.75 29.10 2kds h GLU 70 CO -0.02 0.86 0.10 1.49 -0.73 0.00 0.00 179.01 180.71 2kds h GLU 71 N 1.17 0.97 -0.67 1.92 4.57 -1.61 -2.26 114.58 118.67 2kds h GLU 71 Ca 0.29 -0.24 -0.07 0.00 -1.18 0.00 0.00 59.36 58.17 2kds h GLU 71 Cb 0.04 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.48 2kds h GLU 71 CO -0.05 0.89 0.15 0.28 -1.18 0.00 0.00 179.01 179.11 2kds h VAL 72 N 0.91 1.26 -0.70 0.32 2.07 0.63 -2.52 116.25 118.22 2kds h VAL 72 Ca 0.19 -0.97 -0.02 0.00 0.82 0.00 0.00 66.70 66.72 2kds h VAL 72 Cb 0.40 0.60 -0.03 0.00 -1.52 0.00 0.00 31.29 30.73 2kds h VAL 72 CO 0.01 0.37 0.37 0.11 0.02 0.00 0.00 177.57 178.45 2kds h LYS 73 N 1.01 0.98 -0.60 1.57 1.57 -0.13 -2.23 116.57 118.75 2kds h LYS 73 Ca 0.21 -0.12 -0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2kds h LYS 73 Cb 0.38 -0.19 -0.03 0.00 0.08 0.00 0.00 32.23 32.48 2kds h LYS 73 CO 0.00 0.74 0.27 0.87 -0.57 0.00 0.00 179.45 180.77 2kds h LYS 74 N 0.96 0.87 0.00 3.15 1.57 -1.08 -2.51 116.57 119.53 2kds h LYS 74 Ca 0.24 -0.14 -0.06 0.00 -1.87 0.00 0.00 60.65 58.82 2kds h LYS 74 Cb 0.06 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.21 2kds h LYS 74 CO -0.04 0.72 -0.30 1.57 -0.57 0.00 0.00 179.45 180.83 2kds h LYS 75 N 0.82 0.00 -0.97 3.15 2.10 -1.32 -2.69 116.57 117.66 2kds h LYS 75 Ca 0.20 0.00 0.11 0.00 -2.00 0.00 0.00 60.65 58.96 2kds h LYS 75 Cb 0.14 0.00 -0.08 0.00 -0.90 0.00 0.00 32.23 31.40 2kds h LYS 75 CO -0.02 0.30 0.62 1.25 -2.00 0.00 0.00 179.45 179.59 2kds h LEU 76 N 0.00 0.90 -2.05 7.07 5.85 -0.93 0.35 115.31 126.50 2kds h LEU 76 Ca -0.00 0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.78 2kds h LEU 76 Cb 0.62 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.50 2kds h LEU 76 CO 0.04 0.50 0.08 -0.33 -0.34 0.00 0.00 178.44 178.40 2kds h GLU 77 N 0.98 0.00 -0.74 1.25 5.08 -1.51 -1.43 114.58 118.21 2kds h GLU 77 Ca 0.46 0.00 0.18 0.00 -1.00 0.00 0.00 59.36 59.00 2kds h GLU 77 Cb 0.44 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.64 2kds h GLU 77 CO -0.23 0.00 0.51 1.49 -1.00 0.00 0.00 179.01 179.78 2kds h GLU 78 N 0.00 0.24 0.00 2.33 4.81 -0.41 0.86 114.58 122.41 2kds h GLU 78 Ca 0.05 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 59.27 2kds h GLU 78 Cb 0.22 -0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.55 2kds h GLU 78 CO -0.00 0.16 0.00 0.43 -0.73 0.00 0.00 179.01 178.87 2kds n SER 79 N -4.43 0.00 -2.83 1.04 7.64 -0.54 -4.87 113.62 109.63 2kds n SER 79 Ca 0.15 -1.22 -0.16 0.00 1.01 0.00 0.00 58.87 58.65 2kds n SER 79 Cb 0.64 0.00 0.06 0.00 -1.01 0.00 0.00 64.21 63.91 2kds n SER 79 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 2kds n ASN 80 N -0.81 -3.76 0.25 6.43 5.03 0.30 -4.89 115.26 117.80 2kds n ASN 80 Ca 0.13 -0.44 0.11 0.00 0.87 0.00 0.00 54.58 55.26 2kds n ASN 80 Cb 0.06 -3.95 0.65 0.00 -1.02 0.00 0.00 39.78 35.52 2kds n ASN 80 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 2kds h LEU 81 N -1.76 0.00 -1.33 3.41 -0.00 -1.80 -2.90 115.31 110.94 2kds h LEU 81 Ca -0.44 0.00 0.41 0.00 -0.00 0.00 0.00 57.88 57.86 2kds h LEU 81 Cb 1.27 0.00 -0.13 0.00 -0.00 0.00 0.00 40.66 41.80 2kds h LEU 81 CO 0.40 0.16 0.79 0.74 -0.00 0.00 0.00 178.44 180.53 2kds h THR 82 N 0.00 0.15 0.00 0.22 2.02 -1.91 -3.38 112.91 110.02 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 0.44 0.02 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2kds h THR 82 CO 0.02 0.02 0.00 1.21 0.37 0.00 0.00 175.52 177.14 2kds n GLU 83 N -4.77 0.00 -0.22 6.66 2.13 -1.23 -4.92 120.64 118.29 2kds n GLU 83 Ca 0.36 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 58.12 2kds n GLU 83 Cb 1.35 0.00 0.04 0.00 0.27 0.00 0.00 31.44 33.10 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 0.81 0.00 4.31 3.20 -1.68 -3.43 116.97 120.18 2kds h TYR 84 Ca 0.00 0.01 0.00 0.00 3.14 0.00 0.00 58.73 61.88 2kds h TYR 84 Cb 0.00 -0.27 0.00 0.00 1.54 0.00 0.00 36.73 38.00 2kds h TYR 84 CO 0.00 0.53 0.00 -1.33 -1.64 0.00 0.00 178.16 175.72 2kds n MET 85 N -4.62 0.00 -2.37 1.82 2.81 -1.25 -4.86 117.12 108.64 2kds n MET 85 Ca 0.05 0.00 -0.17 0.00 -1.81 0.00 0.00 57.70 55.76 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 -1.89 0.19 0.03 5.02 -1.26 -4.71 118.16 115.54 2kds n LYS 86 Ca 0.00 0.85 0.00 0.00 -2.02 0.00 0.00 58.31 57.14 2kds n LYS 86 Cb 0.00 -5.47 0.00 0.00 -0.02 0.00 0.00 35.03 29.54 2kds n LYS 86 CO 0.00 0.00 0.00 -0.85 -0.52 0.00 0.00 177.40 176.03 2kds n GLU 87 N -2.89 0.00 0.00 1.97 0.28 -1.26 -5.00 120.64 113.73 2kds n GLU 87 Ca -0.20 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.80 2kds n GLU 87 Cb 0.65 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.52 2kds n GLU 87 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 2kds n LYS 88 N -3.45 0.00 -5.23 3.44 3.00 -1.26 -4.35 118.16 110.31 2kds n LYS 88 Ca 0.00 0.00 -0.32 0.00 -0.00 0.00 0.00 58.31 57.99 2kds n LYS 88 Cb 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 35.03 34.86 2kds n LYS 88 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 2kds s ILE 89 N 0.00 2.07 0.06 3.15 1.01 -1.26 -5.08 121.20 121.16 2kds s ILE 89 Ca 0.00 -1.03 0.05 0.00 0.00 0.00 0.00 60.65 59.67 2kds s ILE 89 Cb 0.00 -1.78 -0.03 0.00 0.01 0.00 0.00 42.46 40.67 2kds s ILE 89 CO 0.00 0.56 -0.14 -0.54 0.00 0.00 0.00 174.94 174.83 2kds s LYS 90 N 0.21 0.82 -0.04 2.79 1.02 -1.26 -4.35 119.74 118.93 2kds s LYS 90 Ca -0.15 -0.90 0.00 0.00 0.02 0.00 0.00 55.97 54.94 2kds s LYS 90 Cb -0.17 -0.81 -0.03 0.00 -0.52 0.00 0.00 37.83 36.29 2kds s LYS 90 CO 0.08 0.18 -0.02 0.42 -0.92 0.00 0.00 175.35 175.09 2kds s ILE 91 N -1.19 4.08 -0.02 2.17 -1.09 -1.26 -5.12 121.20 118.77 2kds s ILE 91 Ca -0.02 -0.48 0.05 0.00 -2.23 0.00 0.00 60.65 57.97 2kds s ILE 91 Cb -0.10 -2.75 -0.01 0.00 -1.58 0.00 0.00 42.46 38.02 2kds s ILE 91 CO 0.02 0.50 -0.16 -0.13 -1.23 0.00 0.00 174.94 173.93 2kds s ARG 92 N -1.18 1.42 0.03 2.79 0.52 -1.26 -4.94 118.95 116.33 2kds s ARG 92 Ca 0.16 -0.58 0.00 0.00 -0.52 0.00 0.00 55.73 54.78 2kds s ARG 92 Cb -0.11 -1.34 0.00 0.00 0.52 0.00 0.00 34.95 34.02 2kds s ARG 92 CO 0.06 0.32 0.00 -0.12 0.02 0.00 0.00 175.30 175.58 2kds n MET 93 N 2.80 0.00 0.28 3.54 1.56 -1.26 -4.92 117.12 119.11 2kds n MET 93 Ca -0.15 0.00 0.11 0.00 -0.27 0.00 0.00 57.70 57.38 2kds n MET 93 Cb 0.54 0.00 0.75 0.00 2.15 0.00 0.00 33.22 36.66 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 -0.50 2.12 0.11 -2.08 -1.11 132.00 130.54 2kds h PRO 94 Ca 0.00 0.00 -0.11 0.00 0.11 0.00 0.00 66.00 66.00 2kds h PRO 94 Cb 0.00 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.09 2kds h PRO 94 CO 0.00 0.00 -0.11 1.15 -0.21 0.00 0.00 178.00 178.84 2kds h THR 95 N 0.00 1.26 -0.02 -1.15 2.02 -1.96 -3.57 112.91 109.48 2kds h THR 95 Ca -0.00 -1.23 0.00 0.00 0.77 0.00 0.00 66.41 65.95 2kds h THR 95 Cb 0.01 0.99 0.00 0.00 -1.74 0.00 0.00 68.15 67.41 2kds h THR 95 CO 0.00 0.43 0.00 0.18 0.37 0.00 0.00 175.52 176.50