#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kss n ILE 22 N 0.00 2.30 -0.07 1.12 0.13 -1.26 -4.76 119.36 116.83 2kss n ILE 22 Ca 0.00 -4.21 -0.09 0.00 -1.10 0.00 0.00 62.75 57.34 2kss n ILE 22 Cb 0.00 -0.85 -0.03 0.00 -0.84 0.00 0.00 39.64 37.92 2kss n ILE 22 CO 0.00 0.00 0.00 0.00 2.80 0.00 0.00 176.55 179.35 2kss n GLN 23 N -0.62 0.42 -1.65 9.51 1.13 -1.26 -4.99 117.38 119.92 2kss n GLN 23 Ca 0.38 0.17 -0.45 0.00 -1.94 0.00 0.00 57.00 55.16 2kss n GLN 23 Cb 0.87 -1.23 -0.02 0.00 0.11 0.00 0.00 30.24 29.98 2kss n GLN 23 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 2kss n ASP 24 N -4.20 2.37 -3.79 1.08 8.00 -1.26 -4.97 116.55 113.78 2kss n ASP 24 Ca -0.16 1.16 -0.30 0.00 0.71 0.00 0.00 54.79 56.21 2kss n ASP 24 Cb 0.46 -1.40 0.23 0.00 -0.02 0.00 0.00 41.12 40.40 2kss n ASP 24 CO 0.00 0.00 0.00 -2.16 -0.39 0.00 0.00 177.20 174.65 2kss s PRO 25 N -0.95 -0.61 0.43 -0.24 0.04 -1.26 -4.95 135.00 127.46 2kss s PRO 25 Ca 0.64 -0.36 0.23 0.00 0.04 0.00 0.00 61.00 61.54 2kss s PRO 25 Cb -0.66 -1.70 0.89 0.00 0.04 0.00 0.00 34.50 33.08 2kss s PRO 25 CO 0.55 -3.25 1.82 0.66 0.04 0.00 0.00 177.00 176.81 2kss h SER 26 N -2.25 0.00 -5.07 6.66 4.64 -2.03 -3.45 113.55 112.06 2kss h SER 26 Ca -0.43 0.00 -0.06 0.00 -0.47 0.00 0.00 61.79 60.83 2kss h SER 26 Cb 1.25 0.00 -0.14 0.00 -0.31 0.00 0.00 62.40 63.20 2kss h SER 26 CO 0.30 0.25 -0.07 -0.22 -0.87 0.00 0.00 176.83 176.23 2kss s LEU 27 N -6.88 0.36 -0.06 5.97 2.96 -1.26 -5.16 118.68 114.61 2kss s LEU 27 Ca 0.00 -0.24 0.03 0.00 -0.22 0.00 0.00 54.13 53.70 2kss s LEU 27 Cb 0.11 1.85 -0.02 0.00 0.50 0.00 0.00 46.19 48.62 2kss s LEU 27 CO 0.65 -0.82 -0.15 -0.51 -1.32 0.00 0.00 176.35 174.20 2kss s ILE 28 N -3.54 3.02 0.23 6.68 1.10 -1.26 -5.11 121.20 122.31 2kss s ILE 28 Ca 0.01 -0.73 -0.19 0.00 -0.51 0.00 0.00 60.65 59.24 2kss s ILE 28 Cb 0.01 -2.19 -0.08 0.00 0.15 0.00 0.00 42.46 40.35 2kss s ILE 28 CO -0.10 0.58 0.71 0.27 -2.11 0.00 0.00 174.94 174.29 2kss s ILE 29 N -0.54 4.60 0.11 2.00 -5.25 -1.26 -5.07 121.20 115.79 2kss s ILE 29 Ca 0.07 1.21 -0.09 0.00 -0.99 0.00 0.00 60.65 60.86 2kss s ILE 29 Cb -0.12 -3.82 -0.00 0.00 2.95 0.00 0.00 42.46 41.47 2kss s ILE 29 CO 0.01 0.17 0.21 0.00 -1.79 0.00 0.00 174.94 173.55 2kss s HIS 31 N -3.89 0.13 0.41 0.00 3.76 -1.26 -5.16 115.29 109.28 2kss s HIS 31 Ca 0.09 -0.49 -0.23 0.00 -0.15 0.00 0.00 55.06 54.28 2kss s HIS 31 Cb 0.04 0.24 -0.10 0.00 1.11 0.00 0.00 32.58 33.87 2kss s HIS 31 CO -0.08 -0.90 0.98 0.16 -0.85 0.00 0.00 174.74 174.06 2kss s ASP 32 N -2.94 6.90 0.23 1.40 -4.77 -1.26 -4.98 116.67 111.25 2kss s ASP 32 Ca 0.15 1.84 0.11 0.00 -3.30 0.00 0.00 52.55 51.35 2kss s ASP 32 Cb -0.00 -2.56 -0.05 0.00 -1.09 0.00 0.00 42.92 39.22 2kss s ASP 32 CO 0.01 -0.39 -0.22 -0.69 0.70 0.00 0.00 175.17 174.59 2kss s VAL 33 N -1.90 2.36 0.06 2.11 1.01 -1.26 -5.10 120.40 117.68 2kss s VAL 33 Ca 0.59 -2.19 -0.31 0.00 0.00 0.00 0.00 61.98 60.08 2kss s VAL 33 Cb -0.15 -2.18 -0.06 0.00 0.00 0.00 0.00 36.38 33.99 2kss s VAL 33 CO 0.20 -0.26 1.26 -0.62 0.00 0.00 0.00 175.10 175.68 2kss s ASP 34 N -3.03 6.99 0.00 3.32 -1.08 -1.26 -4.42 116.67 117.19 2kss s ASP 34 Ca 0.24 2.09 0.00 0.00 -0.52 0.00 0.00 52.55 54.36 2kss s ASP 34 Cb -0.06 -2.58 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2kss s ASP 34 CO 0.12 -0.54 0.00 0.61 0.52 0.00 0.00 175.17 175.87 2kss n GLY 35 N 3.33 -1.05 3.48 2.66 0.00 -1.26 -5.13 105.19 107.21 2kss n GLY 35 Ca 0.10 -0.47 -0.10 0.00 0.00 0.00 0.00 46.02 45.55 2kss n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss s ALA 36 N -0.14 -1.74 -0.08 4.61 0.00 -1.26 -4.93 121.76 118.21 2kss s ALA 36 Ca 0.00 0.87 -0.25 0.00 0.00 0.00 0.00 51.96 52.57 2kss s ALA 36 Cb 0.00 0.51 -0.21 0.00 0.00 0.00 0.00 23.12 23.42 2kss s ALA 36 CO 0.00 -0.68 0.93 -1.00 0.00 0.00 0.00 175.76 175.01 2kss h PRO 37 N 2.09 -0.04 -5.16 0.00 0.13 -1.97 -3.47 132.00 123.57 2kss h PRO 37 Ca -0.27 0.00 -0.62 0.00 -0.87 0.00 0.00 66.00 64.24 2kss h PRO 37 Cb 1.26 0.01 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2kss h PRO 37 CO 0.34 0.63 -0.52 0.14 -0.23 0.00 0.00 178.00 178.35 2kss s VAL 38 N -3.14 0.99 0.18 1.56 -7.23 -1.26 -5.03 120.40 106.47 2kss s VAL 38 Ca -0.16 -2.00 0.08 0.00 -1.81 0.00 0.00 61.98 58.09 2kss s VAL 38 Cb -0.01 -2.30 -0.04 0.00 0.56 0.00 0.00 36.38 34.59 2kss s VAL 38 CO 0.61 0.00 -0.01 -0.60 -0.31 0.00 0.00 175.10 174.79 2kss s ARG 39 N -3.80 2.35 0.26 4.82 3.00 -1.26 -5.02 118.95 119.30 2kss s ARG 39 Ca 0.15 -1.14 -0.31 0.00 -1.00 0.00 0.00 55.73 53.43 2kss s ARG 39 Cb 0.03 -2.32 -0.11 0.00 0.00 0.00 0.00 34.95 32.54 2kss s ARG 39 CO 0.09 0.45 1.61 0.42 0.00 0.00 0.00 175.30 177.87 2kss s ILE 40 N -1.75 2.12 0.00 4.11 -1.09 -1.26 -0.70 121.20 122.63 2kss s ILE 40 Ca 0.27 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.79 2kss s ILE 40 Cb -0.09 -3.06 0.00 0.00 -1.58 0.00 0.00 42.46 37.73 2kss s ILE 40 CO 0.18 0.01 0.00 0.61 -1.23 0.00 0.00 174.94 174.51 2kss n GLY 41 N 2.67 0.74 3.73 6.18 0.00 -1.25 -4.98 105.19 112.28 2kss n GLY 41 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 2kss n GLY 41 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss s ALA 42 N -3.09 3.46 -0.36 4.61 0.00 0.12 -4.81 121.76 121.69 2kss s ALA 42 Ca 0.00 0.98 -0.19 0.00 0.00 0.00 0.00 51.96 52.75 2kss s ALA 42 Cb 0.00 -3.45 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2kss s ALA 42 CO 0.00 -0.45 0.55 0.21 0.00 0.00 0.00 175.76 176.07 2kss s LYS 43 N 0.28 3.57 0.44 0.00 2.20 -1.26 -2.56 119.74 122.40 2kss s LYS 43 Ca 0.57 -0.17 0.07 0.00 -0.36 0.00 0.00 55.97 56.08 2kss s LYS 43 Cb -0.33 -3.83 -0.01 0.00 -1.51 0.00 0.00 37.83 32.14 2kss s LYS 43 CO 0.34 -0.72 0.37 0.14 -0.36 0.00 0.00 175.35 175.12 2kss s VAL 44 N 2.50 2.47 -0.21 4.02 -7.23 0.23 -3.57 120.40 118.60 2kss s VAL 44 Ca 0.20 -1.40 0.01 0.00 -1.81 0.00 0.00 61.98 58.98 2kss s VAL 44 Cb -0.15 -2.87 0.04 0.00 0.56 0.00 0.00 36.38 33.96 2kss s VAL 44 CO 0.14 0.00 -0.12 -0.75 -0.31 0.00 0.00 175.10 174.07 2kss s LYS 45 N -4.13 2.21 0.02 4.82 2.20 -1.19 -2.01 119.74 121.66 2kss s LYS 45 Ca 0.46 -0.99 -0.30 0.00 -0.36 0.00 0.00 55.97 54.78 2kss s LYS 45 Cb -0.02 -2.58 -0.07 0.00 -1.51 0.00 0.00 37.83 33.65 2kss s LYS 45 CO 0.27 -0.44 1.60 0.08 -0.36 0.00 0.00 175.35 176.50 2kss s VAL 46 N 1.30 3.34 0.85 4.02 1.01 -0.18 -3.99 120.40 126.75 2kss s VAL 46 Ca -0.03 0.68 -0.13 0.00 0.00 0.00 0.00 61.98 62.50 2kss s VAL 46 Cb -0.17 -3.44 0.04 0.00 0.00 0.00 0.00 36.38 32.82 2kss s VAL 46 CO -0.08 -0.02 0.74 1.33 0.00 0.00 0.00 175.10 177.07 2kss n VAL 47 N 4.94 0.98 -0.01 2.92 0.24 -1.26 -3.10 118.33 123.03 2kss n VAL 47 Ca 0.16 -0.22 -0.12 0.00 -2.04 0.00 0.00 64.34 62.12 2kss n VAL 47 Cb 0.42 -0.85 -0.09 0.00 -1.47 0.00 0.00 33.84 31.84 2kss n VAL 47 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 2kss h PRO 48 N -1.14 -0.08 -6.19 7.34 0.13 -1.91 -3.32 132.00 126.83 2kss h PRO 48 Ca -0.45 0.01 -0.65 0.00 -0.87 0.00 0.00 66.00 64.04 2kss h PRO 48 Cb 1.30 0.02 -0.10 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 48 CO 0.40 0.52 -0.62 -1.01 -0.23 0.00 0.00 178.00 177.07 2kss s HIS 49 N -3.10 3.15 0.46 1.56 3.76 -1.26 -4.67 115.29 115.18 2kss s HIS 49 Ca -0.15 0.07 -0.23 0.00 -0.15 0.00 0.00 55.06 54.61 2kss s HIS 49 Cb -0.00 -1.63 -0.09 0.00 1.11 0.00 0.00 32.58 31.97 2kss s HIS 49 CO 0.56 0.51 1.01 0.45 -0.85 0.00 0.00 174.74 176.41 2kss n SER 50 N 0.71 1.19 -0.07 1.40 2.88 -1.26 -4.93 113.62 113.54 2kss n SER 50 Ca -0.10 0.98 -0.09 0.00 -1.33 0.00 0.00 58.87 58.33 2kss n SER 50 Cb 0.52 -1.37 -0.09 0.00 -0.75 0.00 0.00 64.21 62.52 2kss n SER 50 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 2kss n GLU 51 N -0.10 1.23 0.03 -1.46 4.07 -1.26 -4.88 120.64 118.28 2kss n GLU 51 Ca 0.10 0.04 -0.01 0.00 -0.06 0.00 0.00 57.16 57.23 2kss n GLU 51 Cb 0.41 -1.33 -0.00 0.00 -0.06 0.00 0.00 31.44 30.46 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 2kss n ASP 52 N -2.70 1.11 0.12 4.31 4.64 -1.26 -5.03 116.55 117.74 2kss n ASP 52 Ca -0.25 0.15 0.00 0.00 -1.38 0.00 0.00 54.79 53.31 2kss n ASP 52 Cb 0.87 -0.35 0.00 0.00 -1.04 0.00 0.00 41.12 40.60 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2kss n GLY 53 N 3.30 -1.78 3.77 0.27 0.00 -1.26 -5.13 105.19 104.36 2kss n GLY 53 Ca -0.01 0.46 -0.41 0.00 0.00 0.00 0.00 46.02 46.06 2kss n GLY 53 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 2kss s THR 54 N -1.67 2.20 -0.14 2.61 -1.32 -1.26 -4.89 115.64 111.18 2kss s THR 54 Ca 0.00 0.19 -0.31 0.00 -1.21 0.00 0.00 61.69 60.36 2kss s THR 54 Cb 0.00 -3.12 0.13 0.00 -1.51 0.00 0.00 72.50 68.00 2kss s THR 54 CO 0.00 0.04 1.07 -0.51 -2.21 0.00 0.00 174.62 173.01 2kss s ILE 55 N -0.84 0.00 -0.11 5.08 1.10 -1.26 -4.61 121.20 120.56 2kss s ILE 55 Ca 0.54 0.00 -0.00 0.00 -0.51 0.00 0.00 60.65 60.68 2kss s ILE 55 Cb -0.45 -1.00 0.02 0.00 0.15 0.00 0.00 42.46 41.18 2kss s ILE 55 CO 0.57 0.00 -0.09 -0.55 -2.11 0.00 0.00 174.94 172.77 2kss s SER 56 N -1.85 2.16 0.58 4.50 0.15 -1.26 -4.99 113.70 113.00 2kss s SER 56 Ca 0.05 -0.32 0.38 0.00 0.70 0.00 0.00 55.95 56.76 2kss s SER 56 Cb -0.01 -0.87 1.85 0.00 -1.71 0.00 0.00 66.02 65.29 2kss s SER 56 CO -0.04 -0.09 2.14 -0.61 1.20 0.00 0.00 173.24 175.84 2kss h GLN 57 N 8.00 0.00 -0.06 5.44 4.15 -1.98 -2.30 115.11 128.37 2kss h GLN 57 Ca -0.31 0.00 -0.04 0.00 0.77 0.00 0.00 58.65 59.07 2kss h GLN 57 Cb 1.14 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.83 2kss h GLN 57 CO 0.43 0.00 -0.12 0.00 -1.93 0.00 0.00 178.83 177.21 2kss h ARG 58 N 0.00 0.18 -0.74 1.69 3.08 -1.98 -3.05 114.38 113.56 2kss h ARG 58 Ca 0.00 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 59.93 2kss h ARG 58 Cb 0.24 0.02 0.00 0.00 0.08 0.00 0.00 29.97 30.31 2kss h ARG 58 CO 0.00 0.71 0.00 1.19 -1.07 0.00 0.00 179.97 180.80 2kss n PHE 59 N -4.64 0.81 -1.78 3.04 3.72 -0.95 -4.84 117.46 112.82 2kss n PHE 59 Ca -0.08 -0.29 -0.35 0.00 -0.05 0.00 0.00 57.45 56.68 2kss n PHE 59 Cb 0.36 -0.23 -0.03 0.00 -0.94 0.00 0.00 39.48 38.64 2kss n PHE 59 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kss s LEU 60 N -1.14 3.32 0.00 4.37 0.20 -0.91 -1.21 118.68 123.31 2kss s LEU 60 Ca 0.23 0.65 0.00 0.00 0.69 0.00 0.00 54.13 55.70 2kss s LEU 60 Cb 0.17 -2.52 0.00 0.00 -0.43 0.00 0.00 46.19 43.41 2kss s LEU 60 CO 0.08 -2.73 0.00 0.61 -0.29 0.00 0.00 176.35 174.02 2kss n GLY 61 N 5.96 0.72 3.76 7.98 0.00 -1.18 -4.91 105.19 117.52 2kss n GLY 61 Ca 0.31 -0.71 -0.22 0.00 0.00 0.00 0.00 46.02 45.39 2kss n GLY 61 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 2kss s GLN 62 N -3.90 2.55 -0.10 1.61 2.00 -0.35 -4.97 119.66 116.49 2kss s GLN 62 Ca 0.00 -1.37 0.02 0.00 -2.00 0.00 0.00 55.36 52.01 2kss s GLN 62 Cb 0.00 -2.32 0.01 0.00 0.80 0.00 0.00 33.01 31.51 2kss s GLN 62 CO 0.00 0.21 -0.15 0.99 -0.50 0.00 0.00 175.29 175.84 2kss s THR 63 N -2.32 1.49 0.15 -0.34 2.01 -1.26 -1.01 115.64 114.36 2kss s THR 63 Ca 0.36 -0.65 0.03 0.00 0.31 0.00 0.00 61.69 61.74 2kss s THR 63 Cb -0.05 -1.35 -0.01 0.00 0.01 0.00 0.00 72.50 71.09 2kss s THR 63 CO 0.23 0.44 0.14 0.61 -0.69 0.00 0.00 174.62 175.35 2kss n GLY 64 N 4.09 3.43 3.51 4.40 0.00 -0.85 -4.64 105.19 115.14 2kss n GLY 64 Ca -0.20 -1.73 -0.24 0.00 0.00 0.00 0.00 46.02 43.85 2kss n GLY 64 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2kss s ILE 65 N -2.61 2.62 0.13 -0.61 1.01 -1.13 -0.60 121.20 120.01 2kss s ILE 65 Ca 0.17 -2.31 -0.24 0.00 0.00 0.00 0.00 60.65 58.28 2kss s ILE 65 Cb 0.01 -2.42 -0.07 0.00 0.01 0.00 0.00 42.46 39.98 2kss s ILE 65 CO 0.12 -0.38 0.73 -0.69 0.00 0.00 0.00 174.94 174.73 2kss s VAL 66 N -2.49 4.48 -0.10 2.92 1.01 -1.06 -2.25 120.40 122.91 2kss s VAL 66 Ca 0.31 1.60 -0.15 0.00 0.00 0.00 0.00 61.98 63.74 2kss s VAL 66 Cb -0.05 -4.09 -0.27 0.00 0.00 0.00 0.00 36.38 31.97 2kss s VAL 66 CO 0.16 0.51 0.55 0.58 0.00 0.00 0.00 175.10 176.90 2kss h VAL 67 N 3.45 0.99 0.00 2.92 2.07 -1.83 -3.34 116.25 120.51 2kss h VAL 67 Ca -0.47 -2.40 0.00 0.00 0.82 0.00 0.00 66.70 64.65 2kss h VAL 67 Cb 1.21 2.69 0.00 0.00 -1.52 0.00 0.00 31.29 33.67 2kss h VAL 67 CO 0.66 0.72 0.00 0.61 0.02 0.00 0.00 177.57 179.58 2kss n GLY 68 N 1.76 3.97 3.78 2.17 0.00 -1.26 -4.93 105.19 110.68 2kss n GLY 68 Ca -0.26 -0.51 -0.02 0.00 0.00 0.00 0.00 46.02 45.24 2kss n GLY 68 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2kss s LEU 69 N 0.00 -0.08 -0.41 0.99 0.20 -1.26 -4.75 118.68 113.36 2kss s LEU 69 Ca 0.00 -0.42 -0.06 0.00 0.69 0.00 0.00 54.13 54.35 2kss s LEU 69 Cb 0.00 1.91 0.09 0.00 -0.43 0.00 0.00 46.19 47.77 2kss s LEU 69 CO 0.00 -0.76 0.22 0.68 -0.29 0.00 0.00 176.35 176.20 2kss s VAL 70 N -2.69 3.73 0.23 1.68 -7.23 -1.26 -4.43 120.40 110.43 2kss s VAL 70 Ca 0.17 -1.68 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2kss s VAL 70 Cb -0.00 -3.38 -0.05 0.00 0.56 0.00 0.00 36.38 33.51 2kss s VAL 70 CO 0.02 -0.56 0.11 -0.36 -0.31 0.00 0.00 175.10 174.00 2kss s PHE 71 N 1.29 1.36 -0.66 2.82 0.08 -1.26 -4.84 117.98 116.76 2kss s PHE 71 Ca 0.04 -1.27 -0.38 0.00 0.12 0.00 0.00 56.93 55.44 2kss s PHE 71 Cb -0.23 -0.74 -0.19 0.00 -0.57 0.00 0.00 43.02 41.29 2kss s PHE 71 CO -0.01 -0.47 2.35 -0.25 -0.10 0.00 0.00 175.22 176.74 2kss n ASP 72 N -0.37 0.75 -4.63 1.36 8.00 -1.26 -4.79 116.55 115.61 2kss n ASP 72 Ca 0.01 0.44 -0.43 0.00 0.71 0.00 0.00 54.79 55.52 2kss n ASP 72 Cb 0.66 -0.96 -0.02 0.00 -0.02 0.00 0.00 41.12 40.78 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kss s ASP 73 N 7.36 6.54 0.42 -2.24 1.01 -1.26 -4.73 116.67 123.78 2kss s ASP 73 Ca 1.24 1.30 0.00 0.00 0.71 0.00 0.00 52.55 55.80 2kss s ASP 73 Cb -1.32 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.07 2kss s ASP 73 CO 0.57 -1.17 0.00 -0.81 0.21 0.00 0.00 175.17 173.97 2kss n PRO 74 N 7.50 0.37 0.00 8.23 -0.04 -1.26 -4.82 135.00 144.97 2kss n PRO 74 Ca 0.16 0.00 0.16 0.00 -0.04 0.00 0.00 63.50 63.78 2kss n PRO 74 Cb 0.46 0.00 0.87 0.00 -0.04 0.00 0.00 33.50 34.79 2kss n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 2kss n ALA 75 N -3.00 2.66 -0.42 0.55 0.00 -1.26 -2.86 120.51 116.18 2kss n ALA 75 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.21 2kss n ALA 75 Cb 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 19.45 17.99 2kss n ALA 75 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 2kss n THR 76 N -0.86 0.46 -1.58 0.00 5.66 -1.26 -5.12 114.28 111.58 2kss n THR 76 Ca 0.22 -0.52 0.00 0.00 -3.05 0.00 0.00 64.05 60.70 2kss n THR 76 Cb 0.16 0.86 0.00 0.00 -1.55 0.00 0.00 70.33 69.79 2kss n THR 76 CO 0.00 0.00 0.00 1.67 -3.05 0.00 0.00 175.07 173.69 2kss n GLN 77 N -0.23 -4.51 -3.59 1.09 7.27 -1.14 -5.05 117.38 111.23 2kss n GLN 77 Ca 0.00 3.38 -0.14 0.00 0.07 0.00 0.00 57.00 60.31 2kss n GLN 77 Cb 0.30 -3.85 -0.06 0.00 2.41 0.00 0.00 30.24 29.05 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 0.07 0.00 0.00 177.06 176.66 2kss s TYR 78 N -3.69 -0.40 -0.06 3.69 6.14 -1.26 -4.73 117.35 117.04 2kss s TYR 78 Ca 0.00 0.44 -0.09 0.00 0.64 0.00 0.00 57.07 58.06 2kss s TYR 78 Cb 0.00 0.32 -0.05 0.00 0.42 0.00 0.00 41.96 42.65 2kss s TYR 78 CO 0.00 -0.62 0.37 -1.00 0.64 0.00 0.00 175.55 174.94 2kss h PRO 79 N 2.85 -0.30 0.00 4.97 0.13 -1.92 -3.41 132.00 134.33 2kss h PRO 79 Ca -0.31 0.02 -0.01 0.00 -0.87 0.00 0.00 66.00 64.83 2kss h PRO 79 Cb 1.21 0.07 -0.00 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.41 -0.20 -1.04 -0.25 -0.23 0.00 0.00 178.00 176.70 2kss n ASP 80 N -4.74 4.85 -4.43 1.44 8.00 -1.26 -5.06 116.55 115.36 2kss n ASP 80 Ca -0.04 0.00 -0.22 0.00 0.71 0.00 0.00 54.79 55.24 2kss n ASP 80 Cb 0.12 0.60 -0.10 0.00 -0.02 0.00 0.00 41.12 41.72 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kss s ASP 81 N -2.92 3.15 -0.02 -2.24 1.11 -1.26 -5.06 116.67 109.42 2kss s ASP 81 Ca -0.00 -1.05 -0.22 0.00 0.18 0.00 0.00 52.55 51.45 2kss s ASP 81 Cb 0.00 -0.23 -0.22 0.00 1.07 0.00 0.00 42.92 43.54 2kss s ASP 81 CO 0.03 -0.09 1.10 1.55 1.18 0.00 0.00 175.17 178.93 2kss h PRO 82 N 2.36 0.27 -5.29 8.23 0.13 -1.85 -3.41 132.00 132.44 2kss h PRO 82 Ca -0.39 -0.26 -0.64 0.00 -0.87 0.00 0.00 66.00 63.84 2kss h PRO 82 Cb 1.24 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2kss h PRO 82 CO 0.62 0.94 -0.54 -0.48 -0.23 0.00 0.00 178.00 178.31 2kss s LEU 83 N -8.55 2.39 0.37 1.56 2.34 -1.26 -4.57 118.68 110.96 2kss s LEU 83 Ca -0.15 -1.57 -0.25 0.00 0.06 0.00 0.00 54.13 52.22 2kss s LEU 83 Cb 0.02 -0.66 -0.09 0.00 -0.56 0.00 0.00 46.19 44.90 2kss s LEU 83 CO 0.77 -0.75 1.04 0.27 -1.06 0.00 0.00 176.35 176.63 2kss s ILE 84 N -2.91 3.74 -0.01 1.48 -4.36 -1.26 -4.52 121.20 113.36 2kss s ILE 84 Ca 0.18 1.41 0.01 0.00 -0.26 0.00 0.00 60.65 61.99 2kss s ILE 84 Cb 0.04 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.99 2kss s ILE 84 CO 0.09 0.08 -0.03 0.00 0.24 0.00 0.00 174.94 175.32 2kss s GLN 85 N -2.27 0.31 -0.09 0.37 -2.07 -1.26 -1.75 119.66 112.90 2kss s GLN 85 Ca 0.55 -0.10 -0.03 0.00 -1.82 0.00 0.00 55.36 53.95 2kss s GLN 85 Cb -0.23 -0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 31.33 2kss s GLN 85 CO 0.29 0.05 0.02 0.08 -1.32 0.00 0.00 175.29 174.41 2kss s VAL 86 N 0.08 4.48 -0.07 3.63 1.01 0.15 -2.24 120.40 127.44 2kss s VAL 86 Ca -0.00 -0.18 0.02 0.00 0.00 0.00 0.00 61.98 61.82 2kss s VAL 86 Cb -0.03 -2.90 0.01 0.00 0.00 0.00 0.00 36.38 33.46 2kss s VAL 86 CO -0.00 0.60 -0.14 -0.22 0.00 0.00 0.00 175.10 175.34 2kss s LEU 87 N -0.84 1.68 0.07 3.92 0.20 -0.95 -1.91 118.68 120.84 2kss s LEU 87 Ca 0.13 -0.33 -0.01 0.00 0.69 0.00 0.00 54.13 54.61 2kss s LEU 87 Cb -0.11 -0.90 -0.04 0.00 -0.43 0.00 0.00 46.19 44.70 2kss s LEU 87 CO 0.02 0.04 0.23 -0.69 -0.29 0.00 0.00 176.35 175.66 2kss s VAL 88 N 0.68 5.36 -0.02 1.68 1.01 -1.12 -2.85 120.40 125.15 2kss s VAL 88 Ca -0.14 -0.32 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 2kss s VAL 88 Cb -0.16 -3.62 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2kss s VAL 88 CO 0.04 0.14 1.43 -0.70 0.00 0.00 0.00 175.10 176.01 2kss s GLU 89 N -2.49 4.26 0.00 2.72 2.12 -1.26 -1.88 118.70 122.18 2kss s GLU 89 Ca 0.35 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.67 2kss s GLU 89 Cb -0.13 -3.64 0.00 0.00 0.26 0.00 0.00 34.13 30.62 2kss s GLU 89 CO 0.27 -0.63 0.00 0.41 -0.54 0.00 0.00 175.26 174.77 2kss n GLY 90 N 3.72 2.10 0.00 -1.50 0.00 -1.26 -4.98 105.19 103.27 2kss n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2kss n GLY 90 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2kss n LEU 91 N 0.00 0.00 0.00 0.99 4.77 -0.79 -5.16 117.00 116.82 2kss n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kss n LEU 91 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kss n LEU 91 CO 0.00 -0.17 0.00 0.61 -1.33 0.00 0.00 177.39 176.50 2kss n GLY 92 N 5.00 1.79 3.07 -0.72 0.00 -1.26 -4.70 105.19 108.37 2kss n GLY 92 Ca 0.00 -1.83 -0.10 0.00 0.00 0.00 0.00 46.02 44.09 2kss n GLY 92 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2kss s GLU 93 N 3.65 0.43 0.19 1.61 -1.05 -1.26 -2.80 118.70 119.47 2kss s GLU 93 Ca 0.00 -0.47 -0.09 0.00 -0.15 0.00 0.00 54.97 54.25 2kss s GLU 93 Cb 0.00 0.17 -0.01 0.00 -0.44 0.00 0.00 34.13 33.85 2kss s GLU 93 CO 0.00 -0.10 0.32 0.34 0.95 0.00 0.00 175.26 176.78 2kss s ASP 94 N -1.43 0.01 -0.13 0.83 -1.08 -0.80 -5.01 116.67 109.06 2kss s ASP 94 Ca -0.15 -0.93 -0.04 0.00 -0.52 0.00 0.00 52.55 50.91 2kss s ASP 94 Cb -0.08 0.47 -0.03 0.00 -1.46 0.00 0.00 42.92 41.82 2kss s ASP 94 CO 0.01 -0.96 0.01 -0.76 0.52 0.00 0.00 175.17 174.00 2kss s LEU 95 N -3.00 3.60 0.30 -1.34 2.01 -1.26 -0.68 118.68 118.32 2kss s LEU 95 Ca 0.21 0.08 0.03 0.00 0.01 0.00 0.00 54.13 54.45 2kss s LEU 95 Cb 0.03 -1.86 -0.06 0.00 0.01 0.00 0.00 46.19 44.31 2kss s LEU 95 CO 0.04 0.28 0.08 -0.36 1.01 0.00 0.00 176.35 177.39 2kss s PHE 96 N -0.26 1.79 0.23 0.29 0.08 -0.71 -4.88 117.98 114.52 2kss s PHE 96 Ca 0.06 -1.06 0.05 0.00 0.12 0.00 0.00 56.93 56.11 2kss s PHE 96 Cb -0.12 -1.13 -0.03 0.00 -0.57 0.00 0.00 43.02 41.17 2kss s PHE 96 CO 0.02 -0.14 0.30 -0.06 -0.10 0.00 0.00 175.22 175.23 2kss s PHE 97 N -3.48 3.34 -0.43 0.36 0.08 -1.26 -4.20 117.98 112.39 2kss s PHE 97 Ca 0.37 -0.04 0.26 0.00 0.12 0.00 0.00 56.93 57.64 2kss s PHE 97 Cb 0.08 -1.52 0.88 0.00 -0.57 0.00 0.00 43.02 41.89 2kss s PHE 97 CO 0.15 0.47 1.77 -1.00 -0.10 0.00 0.00 175.22 176.51 2kss h PRO 98 N 1.38 0.00 -0.02 0.24 0.13 -1.97 -2.63 132.00 129.13 2kss h PRO 98 Ca -0.51 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 2kss h PRO 98 Cb 1.23 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.36 2kss h PRO 98 CO 0.62 0.00 -0.43 -0.85 -0.23 0.00 0.00 178.00 177.11 2kss n GLU 99 N -2.58 1.31 -0.03 0.86 0.28 -1.26 -4.52 120.64 114.70 2kss n GLU 99 Ca 0.03 -1.08 -0.01 0.00 -0.16 0.00 0.00 57.16 55.94 2kss n GLU 99 Cb 0.37 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.75 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 -0.16 0.00 0.00 177.13 177.90 2kss h GLU 100 N 2.64 0.00 -6.62 3.44 5.08 -1.87 -3.47 114.58 113.78 2kss h GLU 100 Ca 0.00 0.00 -0.43 0.00 -1.00 0.00 0.00 59.36 57.93 2kss h GLU 100 Cb 0.78 0.00 0.03 0.00 0.50 0.00 0.00 28.75 30.06 2kss h GLU 100 CO 0.00 0.00 -0.16 -0.48 -1.00 0.00 0.00 179.01 177.37 2kss s LEU 101 N -6.04 3.52 0.35 1.33 0.05 -1.17 -4.75 118.68 111.98 2kss s LEU 101 Ca -0.04 -0.18 0.06 0.00 0.05 0.00 0.00 54.13 54.02 2kss s LEU 101 Cb 0.01 -2.79 -0.07 0.00 -2.05 0.00 0.00 46.19 41.29 2kss s LEU 101 CO 0.06 -0.89 0.00 -1.83 -0.55 0.00 0.00 176.35 173.14 2kss s GLU 102 N -4.53 1.76 -0.11 1.48 -1.05 -1.26 -4.78 118.70 110.22 2kss s GLU 102 Ca 0.55 -1.96 -0.30 0.00 -0.15 0.00 0.00 54.97 53.11 2kss s GLU 102 Cb -0.10 -1.30 -0.02 0.00 -0.44 0.00 0.00 34.13 32.27 2kss s GLU 102 CO 0.35 -0.06 1.13 -1.17 0.95 0.00 0.00 175.26 176.47 2kss s LEU 103 N -3.57 4.24 0.46 1.83 2.96 -1.26 -3.19 118.68 120.15 2kss s LEU 103 Ca 0.34 1.66 -0.22 0.00 -0.22 0.00 0.00 54.13 55.70 2kss s LEU 103 Cb 0.08 -3.55 -0.11 0.00 0.50 0.00 0.00 46.19 43.10 2kss s LEU 103 CO 0.16 -0.57 0.67 0.00 -1.32 0.00 0.00 176.35 175.29 2kss n ALA 104 N 5.45 -0.94 0.04 5.97 0.00 -1.23 -4.92 120.51 124.88 2kss n ALA 104 Ca 0.11 0.13 -0.09 0.00 0.00 0.00 0.00 53.44 53.59 2kss n ALA 104 Cb 0.47 -1.88 -0.06 0.00 0.00 0.00 0.00 19.45 17.98 2kss n ALA 104 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kss h PRO 105 N 0.84 -0.20 -0.02 0.00 0.13 -1.93 -3.50 132.00 127.31 2kss h PRO 105 Ca -0.43 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.72 2kss h PRO 105 Cb 1.38 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2kss h PRO 105 CO 0.52 0.16 0.00 0.39 -0.23 0.00 0.00 178.00 178.84