#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 0.38 -2.54 0.55 0.00 -1.26 -5.12 120.51 112.52 2kds n ALA 3 Ca 0.00 -2.33 -0.31 0.00 0.00 0.00 0.00 53.44 50.80 2kds n ALA 3 Cb 0.00 -1.09 -0.11 0.00 0.00 0.00 0.00 19.45 18.25 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 3.23 0.76 0.00 1.01 -1.26 -5.11 121.20 119.65 2kds s ILE 4 Ca 0.33 -1.12 -0.14 0.00 0.00 0.00 0.00 60.65 59.72 2kds s ILE 4 Cb 0.20 -2.43 0.05 0.00 0.01 0.00 0.00 42.46 40.29 2kds s ILE 4 CO -0.18 0.26 1.18 -1.61 0.00 0.00 0.00 174.94 174.59 2kds s GLU 5 N -1.74 2.02 0.00 2.79 2.02 -1.26 -5.00 118.70 117.53 2kds s GLU 5 Ca 0.18 1.66 0.00 0.00 0.02 0.00 0.00 54.97 56.83 2kds s GLU 5 Cb -0.11 -1.83 0.00 0.00 0.10 0.00 0.00 34.13 32.29 2kds s GLU 5 CO 0.09 -1.90 0.00 1.33 0.02 0.00 0.00 175.26 174.80 2kds n VAL 6 N -2.98 0.00 -1.20 2.63 0.24 -1.26 -4.63 118.33 111.13 2kds n VAL 6 Ca 0.13 0.00 -0.01 0.00 -2.04 0.00 0.00 64.34 62.42 2kds n VAL 6 Cb 0.51 0.00 -0.00 0.00 -1.47 0.00 0.00 33.84 32.88 2kds n VAL 6 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2kds n GLY 7 N 0.00 0.42 3.44 7.63 0.00 -0.75 -4.82 105.19 111.10 2kds n GLY 7 Ca 0.00 -1.03 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 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 -2.42 1.65 0.09 1.61 0.52 -1.25 -1.52 118.95 117.63 2kds s ARG 8 Ca 0.00 -1.92 -0.10 0.00 -0.52 0.00 0.00 55.73 53.20 2kds s ARG 8 Cb 0.00 -0.80 -0.06 0.00 0.52 0.00 0.00 34.95 34.61 2kds s ARG 8 CO 0.00 -0.21 0.41 0.42 0.02 0.00 0.00 175.30 175.94 2kds s ILE 9 N -3.33 5.08 0.19 1.52 1.01 -1.25 -2.02 121.20 122.40 2kds s ILE 9 Ca 0.36 0.45 0.10 0.00 0.00 0.00 0.00 60.65 61.56 2kds s ILE 9 Cb 0.08 -3.65 -0.04 0.00 0.01 0.00 0.00 42.46 38.86 2kds s ILE 9 CO 0.15 0.27 -0.21 0.00 0.00 0.00 0.00 174.94 175.16 2kds s VAL 11 N -2.00 1.30 0.16 0.00 1.01 -0.99 -0.55 120.40 119.34 2kds s VAL 11 Ca 0.20 -0.70 -0.29 0.00 0.00 0.00 0.00 61.98 61.19 2kds s VAL 11 Cb -0.06 -1.08 -0.07 0.00 0.00 0.00 0.00 36.38 35.16 2kds s VAL 11 CO 0.09 0.37 0.91 -0.75 0.00 0.00 0.00 175.10 175.71 2kds s LYS 12 N -0.37 4.72 -0.34 2.72 2.47 -0.90 -4.45 119.74 123.60 2kds s LYS 12 Ca 0.06 1.38 0.04 0.00 -1.56 0.00 0.00 55.97 55.89 2kds s LYS 12 Cb -0.07 -3.32 0.10 0.00 -1.46 0.00 0.00 37.83 33.08 2kds s LYS 12 CO -0.01 0.39 0.05 0.08 0.16 0.00 0.00 175.35 176.03 2kds s VAL 13 N -0.64 2.33 0.26 4.02 1.01 -1.26 -4.26 120.40 121.86 2kds s VAL 13 Ca 0.42 -2.30 -0.18 0.00 0.00 0.00 0.00 61.98 59.92 2kds s VAL 13 Cb -0.24 -2.70 0.01 0.00 0.00 0.00 0.00 36.38 33.45 2kds s VAL 13 CO 0.29 -0.58 0.62 -0.54 0.00 0.00 0.00 175.10 174.89 2kds s LYS 14 N 0.92 1.65 0.92 2.72 1.02 -1.26 -5.06 119.74 120.65 2kds s LYS 14 Ca 0.10 -1.04 -0.13 0.00 0.02 0.00 0.00 55.97 54.92 2kds s LYS 14 Cb -0.19 0.56 0.20 0.00 -0.52 0.00 0.00 37.83 37.87 2kds s LYS 14 CO -0.08 -0.73 1.26 0.20 -0.92 0.00 0.00 175.35 175.08 2kds s GLY 15 N -2.94 1.79 -0.02 -3.33 0.00 -1.26 -3.72 107.32 97.84 2kds s GLY 15 Ca 0.14 -1.39 -0.02 0.00 0.00 0.00 0.00 44.72 43.45 2kds s GLY 15 CO 0.06 -0.64 0.04 -2.13 0.00 0.00 0.00 173.10 170.43 2kds n ARG 16 N -3.59 -2.61 -3.88 2.90 0.63 -1.26 -4.12 116.66 104.73 2kds n ARG 16 Ca 0.16 1.96 -0.28 0.00 -0.92 0.00 0.00 57.85 58.77 2kds n ARG 16 Cb 0.60 -2.62 0.00 0.00 0.45 0.00 0.00 32.46 30.89 2kds n ARG 16 CO 0.00 0.00 0.00 -1.91 -2.51 0.00 0.00 177.63 173.21 2kds n GLU 17 N 2.01 -2.50 0.16 -0.14 2.13 -1.26 -4.83 120.64 116.20 2kds n GLU 17 Ca -0.07 0.40 0.12 0.00 0.66 0.00 0.00 57.16 58.28 2kds n GLU 17 Cb 0.11 -4.29 0.55 0.00 0.27 0.00 0.00 31.44 28.07 2kds n GLU 17 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2kds h ALA 18 N 0.88 1.00 -2.06 4.31 0.00 -1.71 -3.41 119.26 118.26 2kds h ALA 18 Ca -0.65 0.00 -0.71 0.00 0.00 0.00 0.00 54.91 53.56 2kds h ALA 18 Cb 1.37 0.00 -0.20 0.00 0.00 0.00 0.00 17.79 18.96 2kds h ALA 18 CO 0.57 0.00 0.38 0.20 0.00 0.00 0.00 179.25 180.41 2kds s GLY 19 N -3.62 1.96 -0.02 0.00 0.00 -1.26 -3.63 107.32 100.75 2kds s GLY 19 Ca 0.02 -2.58 0.01 0.00 0.00 0.00 0.00 44.72 42.18 2kds s GLY 19 CO 0.37 1.70 -0.03 -0.56 0.00 0.00 0.00 173.10 174.58 2kds s SER 20 N 3.36 0.59 -0.14 1.64 0.01 -1.26 -4.45 113.70 113.44 2kds s SER 20 Ca 0.20 -0.08 -0.08 0.00 1.31 0.00 0.00 55.95 57.31 2kds s SER 20 Cb -0.15 -0.21 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 2kds s SER 20 CO -0.01 -0.02 0.13 -1.59 0.41 0.00 0.00 173.24 172.15 2kds s LYS 21 N 0.49 3.64 0.08 12.44 -2.85 -1.26 -2.11 119.74 130.17 2kds s LYS 21 Ca -0.05 -0.18 0.01 0.00 -1.00 0.00 0.00 55.97 54.74 2kds s LYS 21 Cb -0.09 -3.23 -0.04 0.00 -2.06 0.00 0.00 37.83 32.41 2kds s LYS 21 CO -0.01 0.62 -0.05 0.00 0.10 0.00 0.00 175.35 176.02 2kds s VAL 23 N -3.64 3.57 -0.14 0.00 1.01 0.28 0.91 120.40 122.39 2kds s VAL 23 Ca 0.09 -0.51 -0.05 0.00 0.00 0.00 0.00 61.98 61.51 2kds s VAL 23 Cb 0.06 -2.48 -0.04 0.00 0.00 0.00 0.00 36.38 33.92 2kds s VAL 23 CO -0.07 0.56 0.03 -0.63 0.00 0.00 0.00 175.10 175.00 2kds s ILE 24 N -0.37 4.54 -0.45 2.22 1.01 -0.86 -0.65 121.20 126.63 2kds s ILE 24 Ca 0.05 -0.14 0.06 0.00 0.00 0.00 0.00 60.65 60.62 2kds s ILE 24 Cb -0.12 -2.99 0.20 0.00 0.01 0.00 0.00 42.46 39.56 2kds s ILE 24 CO 0.02 0.52 0.57 1.33 0.00 0.00 0.00 174.94 177.38 2kds n VAL 25 N 3.00 -0.58 0.00 2.92 0.24 -0.81 -1.82 118.33 121.28 2kds n VAL 25 Ca -0.18 -2.47 0.00 0.00 -2.04 0.00 0.00 64.34 59.66 2kds n VAL 25 Cb 0.53 -0.42 0.00 0.00 -1.47 0.00 0.00 33.84 32.48 2kds n VAL 25 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 2kds n ASP 26 N 2.49 0.00 -4.11 -1.34 2.03 -1.26 -4.28 116.55 110.08 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 -0.15 0.00 -0.72 0.00 0.00 41.12 40.78 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 -0.77 2.32 0.00 5.18 1.01 -1.26 -2.76 121.20 124.92 2kds s ILE 27 Ca 0.00 -1.31 0.00 0.00 0.00 0.00 0.00 60.65 59.34 2kds s ILE 27 Cb 0.00 -2.22 0.00 0.00 0.01 0.00 0.00 42.46 40.25 2kds s ILE 27 CO 0.00 0.17 0.00 -0.38 0.00 0.00 0.00 174.94 174.73 2kds n ILE 28 N 4.54 0.00 -3.56 2.92 5.41 -0.80 -5.04 119.36 122.83 2kds n ILE 28 Ca -0.16 0.03 -0.24 0.00 1.00 0.00 0.00 62.75 63.38 2kds n ILE 28 Cb 0.45 -0.89 0.02 0.00 -0.71 0.00 0.00 39.64 38.51 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 -1.17 4.80 0.32 4.38 2.15 -1.23 -4.95 116.67 120.97 2kds s ASP 29 Ca 0.00 -1.11 0.05 0.00 0.43 0.00 0.00 52.55 51.91 2kds s ASP 29 Cb 0.00 0.42 0.67 0.00 -0.30 0.00 0.00 42.92 43.71 2kds s ASP 29 CO 0.00 -1.22 1.86 0.44 -0.17 0.00 0.00 175.17 176.08 2kds h ASP 30 N 0.51 0.80 -0.16 -0.34 3.32 -2.04 -3.04 116.42 115.46 2kds h ASP 30 Ca -0.34 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.75 2kds h ASP 30 Cb 1.30 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.73 2kds h ASP 30 CO 0.51 0.43 0.00 -0.46 -1.72 0.00 0.00 179.24 178.00 2kds n ASN 31 N -4.57 2.30 -4.51 6.45 6.94 -1.26 -5.00 115.26 115.61 2kds n ASN 31 Ca 0.17 -1.71 -0.33 0.00 -0.02 0.00 0.00 54.58 52.70 2kds n ASN 31 Cb 0.38 -0.10 -0.12 0.00 -2.36 0.00 0.00 39.78 37.57 2kds n ASN 31 CO 0.00 0.00 0.00 -0.36 -1.03 0.00 0.00 177.26 175.87 2kds s PHE 32 N -0.90 2.81 0.19 -2.53 0.08 -1.15 -1.79 117.98 114.70 2kds s PHE 32 Ca 0.16 -0.13 0.04 0.00 0.12 0.00 0.00 56.93 57.12 2kds s PHE 32 Cb 0.09 -1.68 -0.05 0.00 -0.57 0.00 0.00 43.02 40.81 2kds s PHE 32 CO 0.13 0.20 -0.06 0.14 -0.10 0.00 0.00 175.22 175.53 2kds s VAL 33 N -0.65 1.17 -0.15 -0.44 -7.23 -0.99 -1.90 120.40 110.21 2kds s VAL 33 Ca 0.10 -2.06 -0.08 0.00 -1.81 0.00 0.00 61.98 58.12 2kds s VAL 33 Cb -0.11 -2.12 -0.04 0.00 0.56 0.00 0.00 36.38 34.67 2kds s VAL 33 CO 0.01 -0.52 0.13 -0.22 -0.31 0.00 0.00 175.10 174.19 2kds s LEU 34 N -3.25 4.28 0.10 1.32 0.20 -1.11 -2.02 118.68 118.20 2kds s LEU 34 Ca 0.23 0.35 0.07 0.00 0.69 0.00 0.00 54.13 55.48 2kds s LEU 34 Cb 0.04 -2.07 -0.03 0.00 -0.43 0.00 0.00 46.19 43.69 2kds s LEU 34 CO 0.05 0.31 -0.19 0.68 -0.29 0.00 0.00 176.35 176.91 2kds s VAL 35 N -0.42 1.54 0.02 1.68 -7.23 -0.26 -1.93 120.40 113.81 2kds s VAL 35 Ca 0.12 -1.51 -0.10 0.00 -1.81 0.00 0.00 61.98 58.68 2kds s VAL 35 Cb -0.12 -1.44 0.01 0.00 0.56 0.00 0.00 36.38 35.39 2kds s VAL 35 CO 0.01 -0.13 0.21 0.28 -0.31 0.00 0.00 175.10 175.16 2kds s THR 36 N -1.28 0.09 0.14 5.32 -1.32 0.18 -1.55 115.64 117.21 2kds s THR 36 Ca 0.05 -0.78 -0.20 0.00 -1.21 0.00 0.00 61.69 59.55 2kds s THR 36 Cb -0.10 -0.77 0.05 0.00 -1.51 0.00 0.00 72.50 70.18 2kds s THR 36 CO 0.04 -0.43 0.51 -0.83 -2.21 0.00 0.00 174.62 171.70 2kds s GLY 37 N -1.83 -0.46 -0.32 6.08 0.00 -0.91 0.10 107.32 109.98 2kds s GLY 37 Ca -0.08 0.26 -0.28 0.00 0.00 0.00 0.00 44.72 44.62 2kds s GLY 37 CO -0.01 -0.04 2.05 2.56 0.00 0.00 0.00 173.10 177.66 2kds s PRO 38 N -3.70 3.05 0.28 2.90 0.04 -1.26 -4.47 135.00 131.83 2kds s PRO 38 Ca 0.01 1.62 -0.02 0.00 0.04 0.00 0.00 61.00 62.65 2kds s PRO 38 Cb 0.00 -4.33 0.41 0.00 0.04 0.00 0.00 34.50 30.62 2kds s PRO 38 CO -0.12 -2.20 1.92 -0.22 0.04 0.00 0.00 177.00 176.43 2kds h LYS 39 N 14.76 1.14 -0.74 4.56 3.64 -1.76 -2.08 116.57 136.08 2kds h LYS 39 Ca -0.35 -0.07 -0.04 0.00 -1.27 0.00 0.00 60.65 58.92 2kds h LYS 39 Cb 1.21 -0.26 -0.03 0.00 -0.41 0.00 0.00 32.23 32.74 2kds h LYS 39 CO 1.03 0.75 0.30 -0.44 -2.27 0.00 0.00 179.45 178.83 2kds h ASP 40 N 1.17 1.00 0.00 4.20 3.32 -1.87 -3.09 116.42 121.16 2kds h ASP 40 Ca 0.38 -0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.28 2kds h ASP 40 Cb 0.03 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.32 2kds h ASP 40 CO -0.12 0.89 0.00 -0.38 -1.72 0.00 0.00 179.24 177.91 2kds n ILE 41 N -4.29 0.00 0.07 0.35 2.08 -0.91 -4.66 119.36 112.01 2kds n ILE 41 Ca 0.07 0.07 0.02 0.00 0.56 0.00 0.00 62.75 63.47 2kds n ILE 41 Cb 0.18 -0.91 0.39 0.00 -0.75 0.00 0.00 39.64 38.55 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 1.15 0.00 1.39 2.02 -1.68 -3.46 112.91 112.33 2kds h THR 42 Ca 0.00 -0.60 0.00 0.00 0.77 0.00 0.00 66.41 66.58 2kds h THR 42 Cb 0.00 0.98 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 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 -1.05 1.18 3.77 2.16 0.00 -0.83 -4.94 105.19 105.48 2kds n GLY 43 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.67 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 -2.27 2.99 0.00 1.61 -7.23 -1.25 -4.71 120.40 109.54 2kds s VAL 44 Ca 0.00 0.65 0.00 0.00 -1.81 0.00 0.00 61.98 60.82 2kds s VAL 44 Cb 0.00 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.66 2kds s VAL 44 CO 0.00 -0.10 0.00 0.29 -0.31 0.00 0.00 175.10 174.98 2kds n LYS 45 N -1.15 0.40 -3.70 4.82 5.02 -1.26 -2.45 118.16 119.84 2kds n LYS 45 Ca 0.11 0.00 -0.19 0.00 -2.02 0.00 0.00 58.31 56.21 2kds n LYS 45 Cb 0.50 0.00 -0.18 0.00 -0.02 0.00 0.00 35.03 35.33 2kds n LYS 45 CO 0.00 0.00 0.00 0.50 -0.52 0.00 0.00 177.40 177.38 2kds s ARG 46 N 2.61 -0.05 0.23 1.97 3.52 -1.26 -2.14 118.95 123.83 2kds s ARG 46 Ca 0.00 0.33 -0.21 0.00 -0.13 0.00 0.00 55.73 55.71 2kds s ARG 46 Cb 0.00 -0.46 0.04 0.00 -1.56 0.00 0.00 34.95 32.96 2kds s ARG 46 CO 0.00 -0.29 0.66 -0.98 -0.81 0.00 0.00 175.30 173.88 2kds s ARG 47 N 1.91 1.57 -0.01 5.12 1.70 -0.60 -4.97 118.95 123.67 2kds s ARG 47 Ca 0.02 -0.79 -0.15 0.00 -0.47 0.00 0.00 55.73 54.34 2kds s ARG 47 Cb -0.12 0.60 -0.06 0.00 -0.57 0.00 0.00 34.95 34.80 2kds s ARG 47 CO -0.03 -0.70 0.42 1.03 -1.08 0.00 0.00 175.30 174.93 2kds s ARG 48 N -3.85 3.96 0.09 3.89 0.52 -1.26 -1.10 118.95 121.20 2kds s ARG 48 Ca 0.07 0.42 0.04 0.00 -0.52 0.00 0.00 55.73 55.74 2kds s ARG 48 Cb -0.04 -3.24 -0.03 0.00 0.52 0.00 0.00 34.95 32.16 2kds s ARG 48 CO -0.01 0.65 -0.12 0.14 0.02 0.00 0.00 175.30 175.98 2kds s VAL 49 N -0.93 1.02 0.64 3.52 -7.23 -0.85 -4.95 120.40 111.62 2kds s VAL 49 Ca 0.24 -1.53 -0.06 0.00 -1.81 0.00 0.00 61.98 58.82 2kds s VAL 49 Cb -0.17 -1.26 0.04 0.00 0.56 0.00 0.00 36.38 35.55 2kds s VAL 49 CO 0.13 -0.44 0.95 0.54 -0.31 0.00 0.00 175.10 175.97 2kds s ASN 50 N -2.21 5.19 0.60 4.85 6.03 -1.26 -2.33 114.94 125.80 2kds s ASN 50 Ca 0.03 0.54 0.30 0.00 -1.03 0.00 0.00 52.86 52.70 2kds s ASN 50 Cb -0.06 -1.35 1.78 0.00 -3.03 0.00 0.00 41.25 38.59 2kds s ASN 50 CO 0.01 -1.33 2.18 0.40 -2.03 0.00 0.00 177.10 176.32 2kds h ILE 51 N -0.37 0.44 -0.52 0.54 2.04 -1.74 -1.25 117.51 116.64 2kds h ILE 51 Ca -0.45 0.00 0.14 0.00 1.00 0.00 0.00 64.86 65.55 2kds h ILE 51 Cb 1.29 0.91 -0.02 0.00 -0.74 0.00 0.00 36.82 38.25 2kds h ILE 51 CO 0.60 0.00 0.37 -0.07 0.00 0.00 0.00 178.15 179.05 2kds h LEU 52 N 0.00 0.08 -7.43 1.44 3.38 -1.92 -3.02 115.31 107.84 2kds h LEU 52 Ca 0.04 0.00 -0.67 0.00 0.09 0.00 0.00 57.88 57.35 2kds h LEU 52 Cb 0.27 -0.01 -0.38 0.00 0.09 0.00 0.00 40.66 40.62 2kds h LEU 52 CO -0.00 0.05 -0.47 -1.00 0.09 0.00 0.00 178.44 177.11 2kds s HIS 53 N -5.10 3.36 -0.11 1.13 3.76 -0.47 -5.05 115.29 112.81 2kds s HIS 53 Ca -0.06 -2.99 0.03 0.00 -0.15 0.00 0.00 55.06 51.90 2kds s HIS 53 Cb 0.20 -3.01 -0.00 0.00 1.11 0.00 0.00 32.58 30.88 2kds s HIS 53 CO 0.73 -0.76 -0.22 -1.17 -0.85 0.00 0.00 174.74 172.47 2kds s LEU 54 N -0.39 2.21 -0.36 0.89 2.96 -1.15 -4.74 118.68 118.10 2kds s LEU 54 Ca 0.19 -0.52 0.01 0.00 -0.22 0.00 0.00 54.13 53.59 2kds s LEU 54 Cb -0.20 -1.45 0.15 0.00 0.50 0.00 0.00 46.19 45.18 2kds s LEU 54 CO -0.04 0.16 0.27 -1.61 -1.32 0.00 0.00 176.35 173.81 2kds s GLU 55 N 0.37 0.57 0.31 1.98 0.41 -1.26 -4.97 118.70 116.11 2kds s GLU 55 Ca -0.17 -1.12 -0.08 0.00 -0.41 0.00 0.00 54.97 53.19 2kds s GLU 55 Cb -0.17 -1.07 -0.06 0.00 -1.78 0.00 0.00 34.13 31.05 2kds s GLU 55 CO 0.08 -1.20 0.61 -1.25 -0.49 0.00 0.00 175.26 173.01 2kds s PRO 56 N 1.24 3.72 0.36 0.39 0.04 -1.26 -2.34 135.00 137.15 2kds s PRO 56 Ca 0.17 0.20 0.08 0.00 0.04 0.00 0.00 61.00 61.49 2kds s PRO 56 Cb -0.20 -2.58 -0.04 0.00 0.04 0.00 0.00 34.50 31.72 2kds s PRO 56 CO -0.02 0.17 0.17 0.95 0.04 0.00 0.00 177.00 178.32 2kds s THR 57 N -2.10 2.82 -1.83 1.26 -4.23 0.23 -4.88 115.64 106.91 2kds s THR 57 Ca 0.47 -1.66 0.05 0.00 -1.18 0.00 0.00 61.69 59.36 2kds s THR 57 Cb -0.11 -2.98 0.14 0.00 1.34 0.00 0.00 72.50 70.89 2kds s THR 57 CO 0.28 -0.12 1.06 0.47 -0.54 0.00 0.00 174.62 175.77 2kds n ASP 58 N -1.21 1.02 -4.67 3.99 8.00 -1.26 -4.66 116.55 117.76 2kds n ASP 58 Ca -0.02 -2.03 -0.39 0.00 0.71 0.00 0.00 54.79 53.06 2kds n ASP 58 Cb 0.62 -0.17 -0.07 0.00 -0.02 0.00 0.00 41.12 41.49 2kds n ASP 58 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 2kds s LYS 59 N -1.73 4.21 -0.10 -1.24 2.20 -1.26 -5.05 119.74 116.77 2kds s LYS 59 Ca 0.11 0.45 -0.01 0.00 -0.36 0.00 0.00 55.97 56.15 2kds s LYS 59 Cb 0.06 -3.55 0.03 0.00 -1.51 0.00 0.00 37.83 32.86 2kds s LYS 59 CO 0.07 -0.13 -0.02 0.21 -0.36 0.00 0.00 175.35 175.11 2kds s LYS 60 N 1.58 0.89 0.15 4.03 2.20 -1.26 -3.90 119.74 123.44 2kds s LYS 60 Ca 0.25 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.87 2kds s LYS 60 Cb -0.15 -1.27 -0.04 0.00 -1.51 0.00 0.00 37.83 34.86 2kds s LYS 60 CO 0.10 -0.32 -0.14 0.96 -0.36 0.00 0.00 175.35 175.58 2kds s ILE 61 N 1.88 1.47 -0.09 5.43 -4.36 -0.57 -5.03 121.20 119.92 2kds s ILE 61 Ca 0.04 -1.94 -0.24 0.00 -0.26 0.00 0.00 60.65 58.26 2kds s ILE 61 Cb -0.13 -1.76 -0.03 0.00 1.25 0.00 0.00 42.46 41.79 2kds s ILE 61 CO -0.06 -0.51 0.73 1.51 0.24 0.00 0.00 174.94 176.84 2kds s ASP 62 N -2.84 6.97 0.27 4.36 1.47 -1.26 -4.67 116.67 120.97 2kds s ASP 62 Ca 0.15 1.18 0.07 0.00 1.18 0.00 0.00 52.55 55.12 2kds s ASP 62 Cb -0.03 -2.42 -0.06 0.00 -0.34 0.00 0.00 42.92 40.08 2kds s ASP 62 CO 0.04 -0.18 -0.07 0.27 0.68 0.00 0.00 175.17 175.91 2kds s ILE 63 N 1.13 1.66 -0.06 2.11 -0.00 -1.26 -5.13 121.20 119.65 2kds s ILE 63 Ca 0.38 -2.14 -0.11 0.00 -0.00 0.00 0.00 60.65 58.77 2kds s ILE 63 Cb -0.18 -2.39 -0.05 0.00 -0.00 0.00 0.00 42.46 39.84 2kds s ILE 63 CO 0.17 -0.34 0.28 -1.10 -0.00 0.00 0.00 174.94 173.95 2kds s GLN 64 N -3.71 3.70 0.31 0.37 -1.52 -1.26 -5.05 119.66 112.49 2kds s GLN 64 Ca 0.29 0.16 -0.29 0.00 -1.95 0.00 0.00 55.36 53.57 2kds s GLN 64 Cb 0.03 -3.21 -0.10 0.00 -0.22 0.00 0.00 33.01 29.51 2kds s GLN 64 CO 0.11 0.73 1.32 0.21 -0.25 0.00 0.00 175.29 177.41 2kds s LYS 65 N -1.05 4.36 0.00 2.91 2.20 -1.26 -3.51 119.74 123.38 2kds s LYS 65 Ca 0.20 2.20 0.00 0.00 -0.36 0.00 0.00 55.97 58.00 2kds s LYS 65 Cb -0.15 -3.09 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 2kds s LYS 65 CO 0.09 -0.21 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 2kds n GLY 66 N 1.13 0.45 3.64 5.54 0.00 -1.26 -5.00 105.19 109.68 2kds n GLY 66 Ca 0.01 -0.97 -0.41 0.00 0.00 0.00 0.00 46.02 44.64 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 0.48 0.49 -1.29 4.61 0.00 -1.23 -4.96 120.51 118.62 2kds n ALA 67 Ca 0.00 0.25 -0.29 0.00 0.00 0.00 0.00 53.44 53.40 2kds n ALA 67 Cb 0.07 -2.13 0.14 0.00 0.00 0.00 0.00 19.45 17.52 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 -0.66 3.50 0.23 0.00 1.04 -1.26 -4.59 113.70 111.97 2kds s SER 68 Ca 0.62 1.35 -0.07 0.00 0.48 0.00 0.00 55.95 58.33 2kds s SER 68 Cb -0.55 -2.03 0.22 0.00 0.10 0.00 0.00 66.02 63.75 2kds s SER 68 CO 0.57 -2.60 1.89 -2.24 0.98 0.00 0.00 173.24 171.84 2kds h ASP 69 N -1.52 1.09 -0.74 7.02 3.04 -1.98 0.85 116.42 124.17 2kds h ASP 69 Ca -0.50 -0.06 -0.05 0.00 -3.24 0.00 0.00 57.03 53.19 2kds h ASP 69 Cb 1.29 -0.27 -0.03 0.00 -1.04 0.00 0.00 39.33 39.28 2kds h ASP 69 CO 0.57 0.82 0.29 -0.33 -2.04 0.00 0.00 179.24 178.55 2kds h GLU 70 N 1.25 1.12 -0.40 4.15 5.08 -1.99 0.40 114.58 124.20 2kds h GLU 70 Ca 0.33 -0.20 -0.06 0.00 -1.00 0.00 0.00 59.36 58.42 2kds h GLU 70 Cb -0.08 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 2kds h GLU 70 CO -0.06 0.92 -0.01 0.93 -1.00 0.00 0.00 179.01 179.78 2kds h GLU 71 N 1.09 0.65 -0.49 2.33 5.08 -1.57 0.25 114.58 121.93 2kds h GLU 71 Ca 0.25 -0.16 -0.04 0.00 -1.00 0.00 0.00 59.36 58.41 2kds h GLU 71 Cb 0.22 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.37 2kds h GLU 71 CO -0.02 0.68 0.15 0.28 -1.00 0.00 0.00 179.01 179.10 2kds h VAL 72 N 0.62 1.23 -0.52 3.13 2.07 0.25 0.26 116.25 123.29 2kds h VAL 72 Ca 0.13 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.86 2kds h VAL 72 Cb 0.40 0.81 -0.02 0.00 -1.52 0.00 0.00 31.29 30.96 2kds h VAL 72 CO 0.02 0.28 0.28 0.11 0.02 0.00 0.00 177.57 178.27 2kds h LYS 73 N 0.65 0.73 -0.75 1.57 1.57 0.79 0.53 116.57 121.66 2kds h LYS 73 Ca 0.16 -0.09 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 2kds h LYS 73 Cb 0.28 -0.14 -0.04 0.00 0.08 0.00 0.00 32.23 32.41 2kds h LYS 73 CO -0.00 0.57 0.47 0.87 -0.57 0.00 0.00 179.45 180.79 2kds h LYS 74 N 0.69 1.01 -0.42 3.15 1.57 -0.13 0.46 116.57 122.90 2kds h LYS 74 Ca 0.18 -0.08 -0.03 0.00 -1.87 0.00 0.00 60.65 58.85 2kds h LYS 74 Cb 0.06 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.13 2kds h LYS 74 CO -0.03 0.69 0.12 0.87 -0.57 0.00 0.00 179.45 180.54 2kds h LYS 75 N 1.02 0.60 -0.96 3.15 1.57 -0.26 -1.89 116.57 119.81 2kds h LYS 75 Ca 0.27 -0.10 0.02 0.00 -1.87 0.00 0.00 60.65 58.98 2kds h LYS 75 Cb -0.07 -0.11 -0.05 0.00 0.08 0.00 0.00 32.23 32.08 2kds h LYS 75 CO -0.05 0.54 0.63 1.25 -0.57 0.00 0.00 179.45 181.24 2kds h LEU 76 N 0.60 1.07 -1.36 2.94 5.85 0.22 0.17 115.31 124.80 2kds h LEU 76 Ca 0.14 -0.02 -0.03 0.00 0.84 0.00 0.00 57.88 58.81 2kds h LEU 76 Cb 0.19 -0.25 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 2kds h LEU 76 CO -0.01 0.75 0.11 -0.33 -0.34 0.00 0.00 178.44 178.62 2kds h GLU 77 N 1.25 0.54 -0.71 1.25 5.08 -0.57 0.22 114.58 121.64 2kds h GLU 77 Ca 0.37 -0.08 0.01 0.00 -1.00 0.00 0.00 59.36 58.66 2kds h GLU 77 Cb -0.06 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.05 2kds h GLU 77 CO -0.10 0.48 0.47 1.49 -1.00 0.00 0.00 179.01 180.35 2kds h GLU 78 N 0.54 0.91 0.00 2.33 4.57 -0.40 1.75 114.58 124.27 2kds h GLU 78 Ca 0.13 -0.05 0.00 0.00 -1.18 0.00 0.00 59.36 58.25 2kds h GLU 78 Cb 0.17 -0.21 0.00 0.00 -0.16 0.00 0.00 28.75 28.56 2kds h GLU 78 CO -0.01 0.60 0.00 0.66 -1.18 0.00 0.00 179.01 179.09 2kds h SER 79 N 0.94 0.00 -4.12 1.04 4.64 0.31 -3.46 113.55 112.91 2kds h SER 79 Ca 0.27 0.00 -0.38 0.00 -0.47 0.00 0.00 61.79 61.21 2kds h SER 79 Cb -0.07 0.00 0.06 0.00 -0.31 0.00 0.00 62.40 62.08 2kds h SER 79 CO -0.06 0.00 -0.56 0.59 -0.87 0.00 0.00 176.83 175.92 2kds n ASN 80 N -2.81 -5.81 0.12 4.97 5.03 0.59 -4.91 115.26 112.44 2kds n ASN 80 Ca 0.01 -0.26 -0.02 0.00 0.87 0.00 0.00 54.58 55.18 2kds n ASN 80 Cb 0.30 -4.64 0.10 0.00 -1.02 0.00 0.00 39.78 34.52 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 -1.26 0.00 -1.69 3.41 4.07 -1.75 -1.48 115.31 116.61 2kds h LEU 81 Ca -0.49 0.00 0.25 0.00 0.08 0.00 0.00 57.88 57.72 2kds h LEU 81 Cb 1.34 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 43.02 2kds h LEU 81 CO 0.53 0.69 0.66 0.74 -1.08 0.00 0.00 178.44 179.98 2kds h THR 82 N 0.00 0.57 0.00 0.22 2.02 -1.90 -3.33 112.91 110.49 2kds h THR 82 Ca -0.01 -0.08 0.00 0.00 0.77 0.00 0.00 66.41 67.10 2kds h THR 82 Cb 1.26 0.33 0.00 0.00 -1.74 0.00 0.00 68.15 68.00 2kds h THR 82 CO 0.09 0.04 0.00 1.21 0.37 0.00 0.00 175.52 177.23 2kds n GLU 83 N -4.42 0.62 -0.02 6.66 2.13 -1.24 -4.87 120.64 119.51 2kds n GLU 83 Ca 0.21 0.00 -0.11 0.00 0.66 0.00 0.00 57.16 57.92 2kds n GLU 83 Cb 0.89 -0.31 -0.05 0.00 0.27 0.00 0.00 31.44 32.23 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 0.18 0.00 4.31 3.20 -1.43 -3.43 116.97 119.79 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 -0.06 0.00 0.00 1.54 0.00 0.00 36.73 38.21 2kds h TYR 84 CO 0.00 0.21 0.00 -1.33 -1.64 0.00 0.00 178.16 175.40 2kds n MET 85 N -4.94 2.13 -2.32 1.82 2.81 -1.21 -4.75 117.12 110.66 2kds n MET 85 Ca -0.05 0.00 -0.18 0.00 -1.81 0.00 0.00 57.70 55.66 2kds n MET 85 Cb 0.08 0.00 -0.01 0.00 -0.71 0.00 0.00 33.22 32.58 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 -1.44 -0.03 0.03 5.02 -1.25 -4.87 118.16 115.63 2kds n LYS 86 Ca 0.00 0.89 0.12 0.00 -2.02 0.00 0.00 58.31 57.30 2kds n LYS 86 Cb 0.00 -5.38 0.55 0.00 -0.02 0.00 0.00 35.03 30.17 2kds n LYS 86 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 2kds n GLU 87 N -2.73 1.48 -2.11 1.97 1.02 -1.26 -5.03 120.64 113.98 2kds n GLU 87 Ca -0.21 -0.71 0.00 0.00 -0.02 0.00 0.00 57.16 56.22 2kds n GLU 87 Cb 0.66 -1.43 0.00 0.00 -0.02 0.00 0.00 31.44 30.65 2kds n GLU 87 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 2kds n LYS 88 N -0.11 -4.82 -0.30 3.49 5.02 -1.26 -4.74 118.16 115.43 2kds n LYS 88 Ca 0.18 3.42 -0.03 0.00 -2.02 0.00 0.00 58.31 59.86 2kds n LYS 88 Cb 0.26 -3.92 0.12 0.00 -0.02 0.00 0.00 35.03 31.47 2kds n LYS 88 CO 0.00 0.00 0.00 0.82 -0.52 0.00 0.00 177.40 177.70 2kds h ILE 89 N 4.29 1.25 -3.18 -0.18 1.08 -1.96 -3.39 117.51 115.41 2kds h ILE 89 Ca 0.00 -0.61 -0.60 0.00 -0.39 0.00 0.00 64.86 63.26 2kds h ILE 89 Cb 0.00 0.08 -0.09 0.00 -3.07 0.00 0.00 36.82 33.75 2kds h ILE 89 CO 0.00 0.28 -0.29 -0.54 -0.69 0.00 0.00 178.15 176.90 2kds s LYS 90 N -5.80 4.12 -0.11 2.37 1.02 -1.26 -5.07 119.74 115.01 2kds s LYS 90 Ca -0.12 0.18 0.04 0.00 0.02 0.00 0.00 55.97 56.08 2kds s LYS 90 Cb 0.17 -3.37 0.00 0.00 -0.52 0.00 0.00 37.83 34.12 2kds s LYS 90 CO 0.82 0.37 -0.23 0.42 -0.92 0.00 0.00 175.35 175.81 2kds s ILE 91 N 0.05 1.99 0.02 2.17 1.01 -1.26 -5.12 121.20 120.05 2kds s ILE 91 Ca 0.19 -0.97 0.05 0.00 0.00 0.00 0.00 60.65 59.92 2kds s ILE 91 Cb -0.14 -1.73 -0.02 0.00 0.01 0.00 0.00 42.46 40.58 2kds s ILE 91 CO 0.06 0.54 -0.14 -0.13 0.00 0.00 0.00 174.94 175.27 2kds s ARG 92 N 0.48 1.04 0.00 2.79 0.52 -1.26 -4.99 118.95 117.52 2kds s ARG 92 Ca -0.16 -0.66 0.00 0.00 -0.52 0.00 0.00 55.73 54.39 2kds s ARG 92 Cb -0.17 -1.04 0.00 0.00 0.52 0.00 0.00 34.95 34.26 2kds s ARG 92 CO 0.06 0.27 0.00 -0.12 0.02 0.00 0.00 175.30 175.53 2kds n MET 93 N 2.24 0.00 -0.11 3.54 1.56 -1.26 -5.11 117.12 117.98 2kds n MET 93 Ca -0.16 0.00 -0.06 0.00 -0.27 0.00 0.00 57.70 57.21 2kds n MET 93 Cb 0.55 -0.15 0.06 0.00 2.15 0.00 0.00 33.22 35.83 2kds n MET 93 CO 0.00 0.00 0.00 -2.30 -0.73 0.00 0.00 175.97 172.94 2kds n PRO 94 N -2.06 -2.15 -0.16 2.12 -0.02 -1.26 -4.86 135.00 126.62 2kds n PRO 94 Ca 0.00 -0.31 0.02 0.00 -2.02 0.00 0.00 63.50 61.19 2kds n PRO 94 Cb 0.00 -0.36 0.30 0.00 -0.02 0.00 0.00 33.50 33.43 2kds n PRO 94 CO 0.00 0.00 0.00 1.15 1.98 0.00 0.00 175.50 178.63 2kds h THR 95 N -2.11 1.15 -0.03 3.45 2.02 -2.04 -3.56 112.91 111.80 2kds h THR 95 Ca -0.08 -0.30 0.00 0.00 0.77 0.00 0.00 66.41 66.80 2kds h THR 95 Cb 0.26 0.21 0.00 0.00 -1.74 0.00 0.00 68.15 66.87 2kds h THR 95 CO 0.05 0.16 0.00 0.18 0.37 0.00 0.00 175.52 176.28