#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kss s ILE 22 N 0.00 -0.15 0.29 3.17 -1.16 -1.26 -5.18 121.20 116.92 2kss s ILE 22 Ca 0.00 0.00 0.10 0.00 -0.51 0.00 0.00 60.65 60.24 2kss s ILE 22 Cb 0.00 -1.00 -0.06 0.00 0.61 0.00 0.00 42.46 42.01 2kss s ILE 22 CO 0.00 0.00 -0.15 -1.10 -2.81 0.00 0.00 174.94 170.88 2kss s GLN 23 N 1.76 1.67 0.03 3.50 -0.21 -1.26 -5.15 119.66 120.00 2kss s GLN 23 Ca -0.04 -1.80 0.05 0.00 0.02 0.00 0.00 55.36 53.59 2kss s GLN 23 Cb -0.03 -1.61 -0.02 0.00 1.00 0.00 0.00 33.01 32.35 2kss s GLN 23 CO -0.15 0.22 -0.15 -0.51 -2.12 0.00 0.00 175.29 172.59 2kss s ASP 24 N -3.51 1.80 0.67 5.90 1.11 -1.26 -5.14 116.67 116.23 2kss s ASP 24 Ca 0.30 -0.44 -0.12 0.00 0.18 0.00 0.00 52.55 52.47 2kss s ASP 24 Cb -0.01 -0.13 -0.00 0.00 1.07 0.00 0.00 42.92 43.84 2kss s ASP 24 CO 0.14 0.07 1.06 -2.16 1.18 0.00 0.00 175.17 175.46 2kss s PRO 25 N -1.04 3.06 0.36 8.23 0.04 -1.26 -4.90 135.00 139.49 2kss s PRO 25 Ca 0.03 1.01 0.19 0.00 0.04 0.00 0.00 61.00 62.27 2kss s PRO 25 Cb -0.08 -2.00 1.28 0.00 0.04 0.00 0.00 34.50 33.74 2kss s PRO 25 CO 0.01 -1.01 1.54 0.43 0.04 0.00 0.00 177.00 178.01 2kss n SER 26 N -2.85 0.31 -4.55 6.66 7.64 -1.26 -4.30 113.62 115.28 2kss n SER 26 Ca 0.08 1.62 -0.53 0.00 1.01 0.00 0.00 58.87 61.04 2kss n SER 26 Cb 0.53 -0.78 -0.07 0.00 -1.01 0.00 0.00 64.21 62.88 2kss n SER 26 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 2kss n LEU 27 N -5.22 2.26 -4.77 -3.43 4.77 -1.26 -4.92 117.00 104.43 2kss n LEU 27 Ca 0.36 0.72 -0.33 0.00 -0.03 0.00 0.00 56.01 56.73 2kss n LEU 27 Cb 1.22 -1.21 -0.07 0.00 -2.33 0.00 0.00 43.42 41.04 2kss n LEU 27 CO 0.00 -0.56 -0.26 0.27 -1.33 0.00 0.00 177.39 175.52 2kss s ILE 28 N 5.61 4.67 0.02 -0.08 -4.36 -1.26 -5.08 121.20 120.72 2kss s ILE 28 Ca 1.05 -0.46 0.01 0.00 -0.26 0.00 0.00 60.65 60.99 2kss s ILE 28 Cb -0.96 -3.14 -0.02 0.00 1.25 0.00 0.00 42.46 39.59 2kss s ILE 28 CO 0.56 0.33 -0.04 -0.63 0.24 0.00 0.00 174.94 175.40 2kss s ILE 29 N -1.21 0.26 0.28 8.37 1.09 -1.26 -5.16 121.20 123.58 2kss s ILE 29 Ca 0.23 -0.77 0.12 0.00 -1.10 0.00 0.00 60.65 59.13 2kss s ILE 29 Cb -0.12 -0.35 -0.05 0.00 -1.06 0.00 0.00 42.46 40.88 2kss s ILE 29 CO 0.14 -0.33 -0.18 0.00 -0.10 0.00 0.00 174.94 174.47 2kss s HIS 31 N -2.51 1.87 -0.04 0.00 3.76 -1.26 -5.09 115.29 112.02 2kss s HIS 31 Ca 0.30 -0.67 -0.21 0.00 -0.15 0.00 0.00 55.06 54.33 2kss s HIS 31 Cb -0.05 -2.16 -0.05 0.00 1.11 0.00 0.00 32.58 31.44 2kss s HIS 31 CO 0.15 -0.73 0.62 0.16 -0.85 0.00 0.00 174.74 174.10 2kss s ASP 32 N -4.45 6.94 0.37 1.40 1.47 -1.26 -5.06 116.67 116.09 2kss s ASP 32 Ca 0.52 1.13 -0.14 0.00 1.18 0.00 0.00 52.55 55.24 2kss s ASP 32 Cb -0.05 -2.37 -0.08 0.00 -0.34 0.00 0.00 42.92 40.07 2kss s ASP 32 CO 0.32 0.01 0.79 -0.69 0.68 0.00 0.00 175.17 176.28 2kss s VAL 33 N 0.28 4.67 0.34 2.11 1.01 -1.26 -5.03 120.40 122.51 2kss s VAL 33 Ca 0.33 0.93 -0.28 0.00 0.00 0.00 0.00 61.98 62.96 2kss s VAL 33 Cb -0.18 -3.65 -0.10 0.00 0.00 0.00 0.00 36.38 32.45 2kss s VAL 33 CO 0.17 -0.34 1.23 1.51 0.00 0.00 0.00 175.10 177.66 2kss s ASP 34 N -2.59 6.82 0.00 3.32 1.47 -1.26 -4.52 116.67 119.92 2kss s ASP 34 Ca 0.54 2.51 0.00 0.00 1.18 0.00 0.00 52.55 56.79 2kss s ASP 34 Cb -0.10 -2.64 0.00 0.00 -0.34 0.00 0.00 42.92 39.84 2kss s ASP 34 CO 0.22 -0.48 0.00 0.61 0.68 0.00 0.00 175.17 176.20 2kss n GLY 35 N 0.86 -1.89 3.49 2.12 0.00 -1.26 -5.13 105.19 103.38 2kss n GLY 35 Ca 0.01 -0.38 -0.10 0.00 0.00 0.00 0.00 46.02 45.56 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 -0.08 -1.78 -0.08 4.61 0.00 -1.26 -4.94 121.76 118.24 2kss s ALA 36 Ca 0.00 0.95 -0.23 0.00 0.00 0.00 0.00 51.96 52.67 2kss s ALA 36 Cb 0.00 0.44 -0.19 0.00 0.00 0.00 0.00 23.12 23.37 2kss s ALA 36 CO 0.00 -0.68 0.87 -1.00 0.00 0.00 0.00 175.76 174.96 2kss h PRO 37 N 2.06 -0.08 -5.16 0.00 0.13 -1.96 -3.47 132.00 123.52 2kss h PRO 37 Ca -0.25 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.27 2kss h PRO 37 Cb 1.25 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.26 2kss h PRO 37 CO 0.33 0.53 -0.52 0.14 -0.23 0.00 0.00 178.00 178.24 2kss s VAL 38 N -3.09 0.97 0.01 1.56 -7.23 -1.26 -4.92 120.40 106.44 2kss s VAL 38 Ca -0.15 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.06 2kss s VAL 38 Cb -0.00 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.60 2kss s VAL 38 CO 0.56 0.00 -0.10 -0.60 -0.31 0.00 0.00 175.10 174.65 2kss s ARG 39 N -3.80 2.45 0.18 4.82 3.00 -1.26 -4.98 118.95 119.35 2kss s ARG 39 Ca 0.16 -0.78 -0.33 0.00 -1.00 0.00 0.00 55.73 53.78 2kss s ARG 39 Cb 0.03 -2.43 -0.13 0.00 0.00 0.00 0.00 34.95 32.42 2kss s ARG 39 CO 0.09 0.59 1.59 -0.89 0.00 0.00 0.00 175.30 176.68 2kss n ILE 40 N 1.60 0.09 -1.08 4.11 2.08 -1.26 -0.29 119.36 124.61 2kss n ILE 40 Ca -0.16 -0.02 -0.03 0.00 0.56 0.00 0.00 62.75 63.10 2kss n ILE 40 Cb 0.52 -1.61 -0.01 0.00 -0.75 0.00 0.00 39.64 37.79 2kss n ILE 40 CO 0.00 0.00 0.00 0.61 0.56 0.00 0.00 176.55 177.72 2kss n GLY 41 N 3.38 0.60 3.84 7.39 0.00 -1.07 -5.01 105.19 114.32 2kss n GLY 41 Ca 0.16 -0.66 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.05 3.61 -0.21 4.61 0.00 0.60 -4.89 121.76 123.43 2kss s ALA 42 Ca 0.00 -0.12 -0.17 0.00 0.00 0.00 0.00 51.96 51.67 2kss s ALA 42 Cb 0.00 -2.51 -0.04 0.00 0.00 0.00 0.00 23.12 20.57 2kss s ALA 42 CO 0.00 0.45 0.44 0.21 0.00 0.00 0.00 175.76 176.87 2kss s LYS 43 N -1.58 4.15 0.37 0.00 2.20 -1.26 -2.51 119.74 121.11 2kss s LYS 43 Ca 0.33 0.26 0.04 0.00 -0.36 0.00 0.00 55.97 56.24 2kss s LYS 43 Cb -0.16 -3.57 -0.05 0.00 -1.51 0.00 0.00 37.83 32.53 2kss s LYS 43 CO 0.18 -0.13 0.06 0.14 -0.36 0.00 0.00 175.35 175.24 2kss s VAL 44 N 1.59 1.18 -0.18 4.02 -7.23 -0.60 -2.80 120.40 116.37 2kss s VAL 44 Ca 0.20 -2.00 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 2kss s VAL 44 Cb -0.15 -2.68 0.01 0.00 0.56 0.00 0.00 36.38 34.12 2kss s VAL 44 CO 0.09 0.00 -0.16 -0.75 -0.31 0.00 0.00 175.10 173.97 2kss s LYS 45 N -3.83 3.11 -0.04 4.82 2.20 -1.21 -2.65 119.74 122.14 2kss s LYS 45 Ca 0.31 -0.78 -0.30 0.00 -0.36 0.00 0.00 55.97 54.84 2kss s LYS 45 Cb 0.07 -2.65 -0.06 0.00 -1.51 0.00 0.00 37.83 33.68 2kss s LYS 45 CO 0.14 -0.15 1.69 0.08 -0.36 0.00 0.00 175.35 176.76 2kss s VAL 46 N 1.20 3.51 0.21 4.02 1.01 -1.21 -3.91 120.40 125.22 2kss s VAL 46 Ca 0.02 0.62 -0.32 0.00 0.00 0.00 0.00 61.98 62.30 2kss s VAL 46 Cb -0.14 -3.40 -0.12 0.00 0.00 0.00 0.00 36.38 32.73 2kss s VAL 46 CO -0.08 -0.05 1.68 0.54 0.00 0.00 0.00 175.10 177.18 2kss s VAL 47 N 4.09 2.14 0.06 2.92 0.11 -1.26 -4.04 120.40 124.41 2kss s VAL 47 Ca 0.75 0.10 -0.16 0.00 -2.93 0.00 0.00 61.98 59.75 2kss s VAL 47 Cb -0.34 -3.06 -0.21 0.00 -1.53 0.00 0.00 36.38 31.23 2kss s VAL 47 CO 0.31 0.01 1.19 1.55 -3.33 0.00 0.00 175.10 174.83 2kss h PRO 48 N 6.51 0.62 -6.92 1.54 0.13 -1.92 -3.45 132.00 128.51 2kss h PRO 48 Ca -0.44 -0.61 -0.53 0.00 -0.87 0.00 0.00 66.00 63.56 2kss h PRO 48 Cb 1.20 0.16 0.08 0.00 0.13 0.00 0.00 31.00 32.57 2kss h PRO 48 CO 0.93 1.22 0.66 -1.58 -0.23 0.00 0.00 178.00 178.99 2kss s HIS 49 N -3.43 2.85 -0.44 1.56 2.46 -1.26 -4.97 115.29 112.07 2kss s HIS 49 Ca -0.11 1.36 -0.18 0.00 0.47 0.00 0.00 55.06 56.60 2kss s HIS 49 Cb 0.06 -3.76 0.03 0.00 -0.13 0.00 0.00 32.58 28.78 2kss s HIS 49 CO 0.88 -2.21 0.48 0.45 -2.47 0.00 0.00 174.74 171.87 2kss s SER 50 N -0.50 6.21 -0.16 9.88 0.15 -1.26 -4.86 113.70 123.16 2kss s SER 50 Ca 0.53 -0.69 -0.03 0.00 0.70 0.00 0.00 55.95 56.45 2kss s SER 50 Cb -0.41 -2.24 -0.09 0.00 -1.71 0.00 0.00 66.02 61.58 2kss s SER 50 CO 0.54 -0.64 -0.17 1.21 1.20 0.00 0.00 173.24 175.37 2kss n GLU 51 N 5.73 0.36 -3.73 5.44 4.07 -1.26 -5.02 120.64 126.23 2kss n GLU 51 Ca -0.07 0.12 -0.22 0.00 -0.06 0.00 0.00 57.16 56.93 2kss n GLU 51 Cb 0.47 -1.20 -0.02 0.00 -0.06 0.00 0.00 31.44 30.63 2kss n GLU 51 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 2kss s ASP 52 N -5.94 6.31 0.36 4.31 1.11 -1.26 -4.98 116.67 116.58 2kss s ASP 52 Ca -0.22 0.23 0.12 0.00 0.18 0.00 0.00 52.55 52.87 2kss s ASP 52 Cb 0.07 -1.93 0.93 0.00 1.07 0.00 0.00 42.92 43.05 2kss s ASP 52 CO 0.32 -0.16 1.81 1.23 1.18 0.00 0.00 175.17 179.55 2kss h GLY 53 N 1.04 1.33 -4.34 0.21 0.00 -2.03 -3.39 103.07 95.89 2kss h GLY 53 Ca -0.51 -0.27 -0.53 0.00 0.00 0.00 0.00 47.33 46.02 2kss h GLY 53 CO 0.61 -0.04 0.32 -1.08 0.00 0.00 0.00 176.54 176.35 2kss s THR 54 N -5.63 4.71 0.19 4.70 -1.32 -1.26 -5.03 115.64 112.01 2kss s THR 54 Ca -0.10 1.97 -0.23 0.00 -1.21 0.00 0.00 61.69 62.13 2kss s THR 54 Cb 0.24 -4.28 0.05 0.00 -1.51 0.00 0.00 72.50 67.00 2kss s THR 54 CO 0.79 0.26 0.71 -0.51 -2.21 0.00 0.00 174.62 173.66 2kss s ILE 55 N 0.43 0.00 -0.12 5.08 1.10 -1.26 -4.81 121.20 121.62 2kss s ILE 55 Ca 0.47 -0.48 -0.04 0.00 -0.51 0.00 0.00 60.65 60.09 2kss s ILE 55 Cb -0.22 -1.51 0.06 0.00 0.15 0.00 0.00 42.46 40.94 2kss s ILE 55 CO 0.27 0.00 0.23 -0.55 -2.11 0.00 0.00 174.94 172.79 2kss s SER 56 N -2.82 0.44 0.36 4.50 0.15 -1.26 -5.00 113.70 110.07 2kss s SER 56 Ca 0.07 0.52 0.25 0.00 0.70 0.00 0.00 55.95 57.48 2kss s SER 56 Cb -0.03 0.57 0.57 0.00 -1.71 0.00 0.00 66.02 65.42 2kss s SER 56 CO -0.03 -0.24 1.69 -0.61 1.20 0.00 0.00 173.24 175.25 2kss h GLN 57 N 8.27 0.00 -0.08 5.44 5.75 -1.96 -2.10 115.11 130.43 2kss h GLN 57 Ca -0.15 0.00 -0.08 0.00 -0.15 0.00 0.00 58.65 58.27 2kss h GLN 57 Cb 1.12 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.67 2kss h GLN 57 CO 0.14 0.00 -0.26 -0.09 -2.65 0.00 0.00 178.83 175.97 2kss h ARG 58 N 0.00 0.31 0.00 1.69 2.43 -2.03 -3.16 114.38 113.63 2kss h ARG 58 Ca 0.00 -0.23 0.00 0.00 -0.81 0.00 0.00 59.98 58.94 2kss h ARG 58 Cb 0.87 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.46 2kss h ARG 58 CO 0.00 0.86 -0.22 1.19 -1.51 0.00 0.00 179.97 180.29 2kss n PHE 59 N -4.48 0.29 -1.53 2.20 3.72 -1.23 -4.79 117.46 111.65 2kss n PHE 59 Ca -0.08 0.08 -0.25 0.00 -0.05 0.00 0.00 57.45 57.16 2kss n PHE 59 Cb 0.46 -0.56 -0.13 0.00 -0.94 0.00 0.00 39.48 38.32 2kss n PHE 59 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 176.76 176.60 2kss n LEU 60 N -1.76 0.60 -0.01 4.37 0.00 -0.79 0.02 117.00 119.44 2kss n LEU 60 Ca 0.06 -0.73 0.00 0.00 0.00 0.00 0.00 56.01 55.34 2kss n LEU 60 Cb 0.37 -1.17 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2kss n LEU 60 CO 0.31 -1.74 0.00 0.61 0.00 0.00 0.00 177.39 176.57 2kss n GLY 61 N 6.20 0.70 0.00 -3.96 0.00 -1.26 -4.98 105.19 101.89 2kss n GLY 61 Ca 0.55 -0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.57 2kss n GLY 61 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2kss n GLN 62 N -0.01 0.55 -3.48 1.61 3.00 0.10 -5.07 117.38 114.09 2kss n GLN 62 Ca 0.00 0.00 -0.03 0.00 -0.01 0.00 0.00 57.00 56.96 2kss n GLN 62 Cb 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 30.24 30.19 2kss n GLN 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.06 178.05 2kss s THR 63 N -1.56 -0.85 0.29 5.09 2.01 -1.26 -3.34 115.64 116.02 2kss s THR 63 Ca 0.00 0.03 0.02 0.00 0.31 0.00 0.00 61.69 62.05 2kss s THR 63 Cb 0.00 -0.88 -0.01 0.00 0.01 0.00 0.00 72.50 71.62 2kss s THR 63 CO 0.00 -0.00 0.08 0.61 -0.69 0.00 0.00 174.62 174.62 2kss n GLY 64 N 5.42 3.57 3.59 4.40 0.00 -1.08 -4.57 105.19 116.51 2kss n GLY 64 Ca -0.07 -2.11 -0.28 0.00 0.00 0.00 0.00 46.02 43.56 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 -2.52 3.37 -0.32 -0.61 1.01 -0.96 -1.56 121.20 119.62 2kss s ILE 65 Ca 0.11 -1.41 -0.21 0.00 0.00 0.00 0.00 60.65 59.14 2kss s ILE 65 Cb 0.01 -2.63 -0.00 0.00 0.01 0.00 0.00 42.46 39.85 2kss s ILE 65 CO 0.08 0.01 0.68 -0.69 0.00 0.00 0.00 174.94 175.02 2kss s VAL 66 N -1.44 4.88 -0.05 2.92 1.01 -1.04 -1.88 120.40 124.80 2kss s VAL 66 Ca 0.23 0.89 -0.12 0.00 0.00 0.00 0.00 61.98 62.99 2kss s VAL 66 Cb -0.10 -4.06 -0.07 0.00 0.00 0.00 0.00 36.38 32.15 2kss s VAL 66 CO 0.15 -0.22 0.51 0.58 0.00 0.00 0.00 175.10 176.12 2kss h VAL 67 N 5.60 0.00 -2.64 2.92 2.07 -1.81 -2.83 116.25 119.56 2kss h VAL 67 Ca -0.26 -0.65 -0.57 0.00 0.82 0.00 0.00 66.70 66.04 2kss h VAL 67 Cb 1.11 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 30.80 2kss h VAL 67 CO 0.84 0.00 -0.60 -0.83 0.02 0.00 0.00 177.57 177.00 2kss s GLY 68 N -2.99 1.67 0.49 2.17 0.00 -1.26 -4.72 107.32 102.67 2kss s GLY 68 Ca -0.06 -1.33 0.07 0.00 0.00 0.00 0.00 44.72 43.40 2kss s GLY 68 CO 0.19 -1.35 0.47 -2.27 0.00 0.00 0.00 173.10 170.14 2kss s LEU 69 N -3.21 3.13 -0.41 0.66 0.20 -1.26 -3.90 118.68 113.89 2kss s LEU 69 Ca 0.30 -0.91 -0.06 0.00 0.69 0.00 0.00 54.13 54.16 2kss s LEU 69 Cb -0.09 -1.74 0.09 0.00 -0.43 0.00 0.00 46.19 44.02 2kss s LEU 69 CO 0.22 -0.93 0.21 0.68 -0.29 0.00 0.00 176.35 176.24 2kss s VAL 70 N -2.60 3.69 0.22 1.68 -7.23 -1.26 -4.38 120.40 110.52 2kss s VAL 70 Ca 0.47 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.93 2kss s VAL 70 Cb -0.04 -3.37 -0.05 0.00 0.56 0.00 0.00 36.38 33.49 2kss s VAL 70 CO 0.28 -0.56 0.10 -0.36 -0.31 0.00 0.00 175.10 174.25 2kss s PHE 71 N 1.28 1.33 -0.66 2.82 0.08 -1.26 -4.83 117.98 116.75 2kss s PHE 71 Ca 0.04 -1.25 -0.38 0.00 0.12 0.00 0.00 56.93 55.46 2kss s PHE 71 Cb -0.23 -0.73 -0.19 0.00 -0.57 0.00 0.00 43.02 41.30 2kss s PHE 71 CO -0.01 -0.46 2.35 -0.25 -0.10 0.00 0.00 175.22 176.76 2kss n ASP 72 N -0.36 0.81 -4.62 1.36 9.92 -1.26 -4.77 116.55 117.63 2kss n ASP 72 Ca 0.00 0.42 -0.43 0.00 -0.53 0.00 0.00 54.79 54.26 2kss n ASP 72 Cb 0.66 -0.98 -0.03 0.00 -0.64 0.00 0.00 41.12 40.13 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kss s ASP 73 N 7.47 6.27 0.23 -2.24 1.47 -1.26 -4.82 116.67 123.78 2kss s ASP 73 Ca 1.23 1.63 0.00 0.00 1.18 0.00 0.00 52.55 56.59 2kss s ASP 73 Cb -1.29 -2.53 0.00 0.00 -0.34 0.00 0.00 42.92 38.76 2kss s ASP 73 CO 0.56 -1.35 0.00 -0.81 0.68 0.00 0.00 175.17 174.25 2kss n PRO 74 N 7.83 0.65 0.00 2.11 -0.04 -1.26 -4.86 135.00 139.43 2kss n PRO 74 Ca 0.20 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.81 2kss n PRO 74 Cb 0.45 0.00 0.67 0.00 -0.04 0.00 0.00 33.50 34.59 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 2.62 -0.48 0.55 0.00 -1.26 -3.32 120.51 115.62 2kss n ALA 75 Ca 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.08 2kss n ALA 75 Cb 0.00 -1.29 0.00 0.00 0.00 0.00 0.00 19.45 18.16 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 -0.25 0.51 -1.61 0.00 5.66 -1.26 -5.12 114.28 112.20 2kss n THR 76 Ca 0.21 -0.51 0.00 0.00 -3.05 0.00 0.00 64.05 60.69 2kss n THR 76 Cb 0.27 0.76 0.00 0.00 -1.55 0.00 0.00 70.33 69.81 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 -0.25 -4.28 -3.52 1.09 7.27 -1.21 -5.05 117.38 111.43 2kss n GLN 77 Ca 0.00 3.30 -0.12 0.00 0.07 0.00 0.00 57.00 60.25 2kss n GLN 77 Cb 0.36 -4.08 -0.04 0.00 2.41 0.00 0.00 30.24 28.89 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 -5.23 -0.46 -0.06 3.69 6.14 -1.26 -4.76 117.35 115.41 2kss s TYR 78 Ca 0.00 0.58 -0.11 0.00 0.64 0.00 0.00 57.07 58.18 2kss s TYR 78 Cb 0.00 0.48 -0.06 0.00 0.42 0.00 0.00 41.96 42.80 2kss s TYR 78 CO 0.00 -0.55 0.43 -1.00 0.64 0.00 0.00 175.55 175.07 2kss h PRO 79 N 2.41 -0.31 0.00 4.97 0.13 -1.92 -3.42 132.00 133.86 2kss h PRO 79 Ca -0.24 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.87 2kss h PRO 79 Cb 1.20 0.07 -0.01 0.00 0.13 0.00 0.00 31.00 32.40 2kss h PRO 79 CO 0.34 -0.16 -1.19 -0.25 -0.23 0.00 0.00 178.00 176.51 2kss n ASP 80 N -4.99 4.26 -4.44 1.44 10.43 -1.26 -5.05 116.55 116.93 2kss n ASP 80 Ca -0.05 0.00 -0.22 0.00 2.57 0.00 0.00 54.79 57.10 2kss n ASP 80 Cb 0.15 0.69 -0.10 0.00 1.84 0.00 0.00 41.12 43.69 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -1.07 0.00 0.00 177.20 174.32 2kss s ASP 81 N -3.17 2.86 -0.08 -2.24 1.11 -1.26 -5.07 116.67 108.82 2kss s ASP 81 Ca -0.01 -1.20 -0.24 0.00 0.18 0.00 0.00 52.55 51.28 2kss s ASP 81 Cb 0.01 -0.19 -0.19 0.00 1.07 0.00 0.00 42.92 43.62 2kss s ASP 81 CO 0.13 -0.34 0.88 1.55 1.18 0.00 0.00 175.17 178.57 2kss h PRO 82 N 2.24 -0.07 -5.76 8.23 0.13 -1.88 -3.38 132.00 131.51 2kss h PRO 82 Ca -0.40 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 82 Cb 1.24 0.02 -0.08 0.00 0.13 0.00 0.00 31.00 32.30 2kss h PRO 82 CO 0.68 0.55 -0.42 -1.17 -0.23 0.00 0.00 178.00 177.40 2kss s LEU 83 N -8.75 2.78 0.33 1.56 2.96 -1.26 -4.61 118.68 111.69 2kss s LEU 83 Ca -0.15 -1.26 -0.27 0.00 -0.22 0.00 0.00 54.13 52.23 2kss s LEU 83 Cb -0.01 -1.20 -0.09 0.00 0.50 0.00 0.00 46.19 45.39 2kss s LEU 83 CO 0.57 -0.83 1.06 0.27 -1.32 0.00 0.00 176.35 176.10 2kss s ILE 84 N -2.72 3.66 -0.03 6.68 -4.36 -1.26 -4.66 121.20 118.50 2kss s ILE 84 Ca 0.31 1.49 0.01 0.00 -0.26 0.00 0.00 60.65 62.20 2kss s ILE 84 Cb 0.01 -3.88 0.02 0.00 1.25 0.00 0.00 42.46 39.86 2kss s ILE 84 CO 0.18 0.22 -0.02 0.00 0.24 0.00 0.00 174.94 175.57 2kss s GLN 85 N -1.87 0.49 -0.15 0.37 -2.07 -1.25 -2.12 119.66 113.06 2kss s GLN 85 Ca 0.50 0.01 -0.08 0.00 -1.82 0.00 0.00 55.36 53.97 2kss s GLN 85 Cb -0.27 -0.61 -0.04 0.00 -1.09 0.00 0.00 33.01 31.00 2kss s GLN 85 CO 0.34 -0.12 0.13 0.08 -1.32 0.00 0.00 175.29 174.40 2kss s VAL 86 N 0.99 5.39 -0.11 3.63 1.01 0.73 -2.19 120.40 129.85 2kss s VAL 86 Ca -0.10 0.17 0.01 0.00 0.00 0.00 0.00 61.98 62.06 2kss s VAL 86 Cb -0.14 -3.38 0.02 0.00 0.00 0.00 0.00 36.38 32.87 2kss s VAL 86 CO -0.01 0.56 -0.15 -0.22 0.00 0.00 0.00 175.10 175.28 2kss s LEU 87 N -0.53 1.70 0.22 3.92 0.20 -0.79 -1.54 118.68 121.87 2kss s LEU 87 Ca 0.12 -0.43 -0.06 0.00 0.69 0.00 0.00 54.13 54.45 2kss s LEU 87 Cb -0.12 -1.10 -0.06 0.00 -0.43 0.00 0.00 46.19 44.49 2kss s LEU 87 CO 0.02 0.00 0.48 -0.69 -0.29 0.00 0.00 176.35 175.87 2kss s VAL 88 N 1.08 5.07 -0.01 1.68 1.01 -0.97 -2.25 120.40 126.00 2kss s VAL 88 Ca -0.05 0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.74 2kss s VAL 88 Cb -0.14 -3.67 -0.06 0.00 0.00 0.00 0.00 36.38 32.51 2kss s VAL 88 CO -0.03 -0.12 1.53 -0.70 0.00 0.00 0.00 175.10 175.78 2kss s GLU 89 N -3.05 4.23 0.00 2.72 -6.30 -1.26 -1.61 118.70 113.43 2kss s GLU 89 Ca 0.43 2.10 0.00 0.00 -2.50 0.00 0.00 54.97 55.01 2kss s GLU 89 Cb -0.11 -3.73 0.00 0.00 0.00 0.00 0.00 34.13 30.29 2kss s GLU 89 CO 0.26 -0.71 0.00 0.41 0.02 0.00 0.00 175.26 175.24 2kss n GLY 90 N 3.88 2.30 0.00 -1.50 0.00 -1.26 -4.98 105.19 103.64 2kss n GLY 90 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.17 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 4.32 -0.63 -5.16 117.00 116.52 2kss n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kss n LEU 91 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kss n LEU 91 CO 0.00 -0.18 0.00 0.61 -1.22 0.00 0.00 177.39 176.60 2kss n GLY 92 N 5.00 1.91 2.94 -0.72 0.00 -1.26 -4.64 105.19 108.42 2kss n GLY 92 Ca 0.00 -2.01 -0.15 0.00 0.00 0.00 0.00 46.02 43.86 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 3.22 0.33 0.18 1.61 -1.05 -1.26 -2.30 118.70 119.43 2kss s GLU 93 Ca 0.00 -0.16 0.00 0.00 -0.15 0.00 0.00 54.97 54.67 2kss s GLU 93 Cb 0.00 -0.32 -0.04 0.00 -0.44 0.00 0.00 34.13 33.33 2kss s GLU 93 CO 0.00 0.09 0.06 0.34 0.95 0.00 0.00 175.26 176.70 2kss s ASP 94 N -0.12 0.72 -0.16 0.83 -1.08 -0.59 -4.95 116.67 111.33 2kss s ASP 94 Ca 0.01 -1.26 -0.08 0.00 -0.52 0.00 0.00 52.55 50.71 2kss s ASP 94 Cb -0.02 0.23 -0.04 0.00 -1.46 0.00 0.00 42.92 41.63 2kss s ASP 94 CO -0.00 -0.70 0.10 -0.76 0.52 0.00 0.00 175.17 174.34 2kss s LEU 95 N -3.15 4.12 0.31 -1.34 1.43 -1.26 -0.19 118.68 118.59 2kss s LEU 95 Ca 0.29 0.27 0.03 0.00 -1.03 0.00 0.00 54.13 53.69 2kss s LEU 95 Cb 0.07 -2.03 -0.06 0.00 0.03 0.00 0.00 46.19 44.21 2kss s LEU 95 CO 0.06 0.28 0.08 -0.36 0.23 0.00 0.00 176.35 176.64 2kss s PHE 96 N -0.26 1.80 0.30 0.29 0.08 -0.90 -4.82 117.98 114.47 2kss s PHE 96 Ca 0.10 -1.06 0.00 0.00 0.12 0.00 0.00 56.93 56.09 2kss s PHE 96 Cb -0.12 -1.14 -0.04 0.00 -0.57 0.00 0.00 43.02 41.16 2kss s PHE 96 CO 0.01 -0.14 0.50 -0.06 -0.10 0.00 0.00 175.22 175.44 2kss s PHE 97 N -3.46 3.49 -0.34 0.36 0.40 -1.26 -4.39 117.98 112.78 2kss s PHE 97 Ca 0.36 0.35 0.27 0.00 -0.60 0.00 0.00 56.93 57.31 2kss s PHE 97 Cb 0.08 -1.88 0.88 0.00 0.51 0.00 0.00 43.02 42.61 2kss s PHE 97 CO 0.15 0.21 1.78 -1.00 0.70 0.00 0.00 175.22 177.06 2kss h PRO 98 N 1.15 0.00 -0.01 0.24 0.13 -1.99 -2.68 132.00 128.84 2kss h PRO 98 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kss h PRO 98 Cb 1.21 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.34 2kss h PRO 98 CO 0.63 0.00 -0.50 -0.85 -0.23 0.00 0.00 178.00 177.05 2kss n GLU 99 N -2.77 1.08 -0.04 0.86 0.28 -1.26 -4.49 120.64 114.30 2kss n GLU 99 Ca 0.03 -0.88 -0.01 0.00 -0.16 0.00 0.00 57.16 56.13 2kss n GLU 99 Cb 0.38 -1.48 -0.00 0.00 1.43 0.00 0.00 31.44 31.77 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 2.15 0.00 -6.41 3.44 5.08 -1.88 -3.48 114.58 113.49 2kss h GLU 100 Ca 0.00 0.00 -0.46 0.00 -1.00 0.00 0.00 59.36 57.90 2kss h GLU 100 Cb 0.72 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.98 2kss h GLU 100 CO 0.00 0.00 -0.28 -0.48 -1.00 0.00 0.00 179.01 177.25 2kss s LEU 101 N -6.70 4.04 0.39 1.33 0.05 -1.16 -4.53 118.68 112.10 2kss s LEU 101 Ca -0.05 0.18 0.08 0.00 0.05 0.00 0.00 54.13 54.39 2kss s LEU 101 Cb 0.01 -3.04 -0.07 0.00 -2.05 0.00 0.00 46.19 41.03 2kss s LEU 101 CO 0.07 -0.32 -0.01 -1.83 -0.55 0.00 0.00 176.35 173.71 2kss s GLU 102 N -4.22 1.94 -0.09 1.48 -1.05 -1.25 -4.78 118.70 110.72 2kss s GLU 102 Ca 0.40 -2.04 -0.30 0.00 -0.15 0.00 0.00 54.97 52.89 2kss s GLU 102 Cb -0.09 -1.68 -0.02 0.00 -0.44 0.00 0.00 34.13 31.89 2kss s GLU 102 CO 0.33 0.01 1.12 -1.17 0.95 0.00 0.00 175.26 176.50 2kss s LEU 103 N -3.69 4.25 0.56 1.83 2.96 -1.26 -3.33 118.68 120.00 2kss s LEU 103 Ca 0.35 1.69 -0.19 0.00 -0.22 0.00 0.00 54.13 55.75 2kss s LEU 103 Cb 0.07 -3.56 -0.08 0.00 0.50 0.00 0.00 46.19 43.13 2kss s LEU 103 CO 0.18 -0.54 0.69 0.00 -1.32 0.00 0.00 176.35 175.35 2kss n ALA 104 N 5.24 -0.68 0.03 5.97 0.00 -1.12 -4.93 120.51 125.01 2kss n ALA 104 Ca 0.10 0.01 -0.09 0.00 0.00 0.00 0.00 53.44 53.46 2kss n ALA 104 Cb 0.47 -1.93 -0.07 0.00 0.00 0.00 0.00 19.45 17.93 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 0.43 -0.17 0.00 0.00 0.13 -1.94 -3.49 132.00 126.97 2kss h PRO 105 Ca -0.46 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 2kss h PRO 105 Cb 1.39 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.55 2kss h PRO 105 CO 0.49 0.25 0.00 0.39 -0.23 0.00 0.00 178.00 178.90