#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 0.58 0.39 2.02 1.10 -1.26 -5.12 121.20 118.90 2kss s ILE 22 Ca 0.00 -0.92 -0.27 0.00 -0.51 0.00 0.00 60.65 58.95 2kss s ILE 22 Cb 0.00 -0.61 -0.11 0.00 0.15 0.00 0.00 42.46 41.89 2kss s ILE 22 CO 0.00 -0.25 1.32 1.67 -2.11 0.00 0.00 174.94 175.56 2kss n GLN 23 N 1.77 2.13 -3.86 3.50 -0.06 -1.26 -4.96 117.38 114.65 2kss n GLN 23 Ca -0.20 0.75 -0.31 0.00 -2.00 0.00 0.00 57.00 55.23 2kss n GLN 23 Cb 0.55 -2.41 -0.12 0.00 -4.06 0.00 0.00 30.24 24.20 2kss n GLN 23 CO 0.00 0.00 0.00 0.16 -0.20 0.00 0.00 177.06 177.02 2kss s ASP 24 N -0.39 4.83 -0.39 1.69 -4.77 -1.26 -5.06 116.67 111.33 2kss s ASP 24 Ca 0.58 -3.32 -0.29 0.00 -3.30 0.00 0.00 52.55 46.22 2kss s ASP 24 Cb -0.52 -1.71 0.01 0.00 -1.09 0.00 0.00 42.92 39.60 2kss s ASP 24 CO 0.60 -0.21 1.40 -2.16 0.70 0.00 0.00 175.17 175.51 2kss s PRO 25 N -0.73 3.64 -0.10 2.11 0.04 -1.26 -4.81 135.00 133.89 2kss s PRO 25 Ca 0.21 1.00 -0.06 0.00 0.04 0.00 0.00 61.00 62.19 2kss s PRO 25 Cb -0.16 -4.00 -0.05 0.00 0.04 0.00 0.00 34.50 30.33 2kss s PRO 25 CO -0.07 -1.49 -0.15 -1.13 0.04 0.00 0.00 177.00 174.21 2kss n SER 26 N 8.61 0.87 -4.56 6.66 3.41 -1.26 -5.04 113.62 122.31 2kss n SER 26 Ca 0.16 0.15 -0.28 0.00 -0.26 0.00 0.00 58.87 58.64 2kss n SER 26 Cb 0.48 -0.35 0.23 0.00 -0.26 0.00 0.00 64.21 64.30 2kss n SER 26 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2kss s LEU 27 N -6.70 1.06 -0.04 1.04 1.02 -1.26 -5.05 118.68 108.76 2kss s LEU 27 Ca -0.16 1.35 0.02 0.00 0.02 0.00 0.00 54.13 55.37 2kss s LEU 27 Cb 0.06 -3.35 0.01 0.00 0.02 0.00 0.00 46.19 42.92 2kss s LEU 27 CO 0.20 -3.83 -0.10 -0.63 0.02 0.00 0.00 176.35 172.01 2kss s ILE 28 N -2.66 0.87 0.39 -0.59 1.01 -1.26 -5.13 121.20 113.82 2kss s ILE 28 Ca 0.67 -0.38 -0.24 0.00 0.00 0.00 0.00 60.65 60.70 2kss s ILE 28 Cb -0.22 -0.79 -0.09 0.00 0.01 0.00 0.00 42.46 41.37 2kss s ILE 28 CO 0.62 0.28 1.04 0.27 0.00 0.00 0.00 174.94 177.15 2kss s ILE 29 N 0.36 3.76 -0.04 2.92 -4.36 -1.26 -5.05 121.20 117.53 2kss s ILE 29 Ca -0.06 1.37 0.06 0.00 -0.26 0.00 0.00 60.65 61.76 2kss s ILE 29 Cb -0.11 -3.71 -0.01 0.00 1.25 0.00 0.00 42.46 39.87 2kss s ILE 29 CO 0.01 0.02 -0.24 0.00 0.24 0.00 0.00 174.94 174.97 2kss s HIS 31 N -0.29 0.22 0.15 0.00 3.76 -1.26 -5.16 115.29 112.71 2kss s HIS 31 Ca 0.01 -0.73 -0.07 0.00 -0.15 0.00 0.00 55.06 54.12 2kss s HIS 31 Cb -0.12 0.58 -0.06 0.00 1.11 0.00 0.00 32.58 34.09 2kss s HIS 31 CO 0.02 -1.34 0.42 0.34 -0.85 0.00 0.00 174.74 173.33 2kss s ASP 32 N -3.05 6.56 0.06 1.40 2.15 -1.26 -5.01 116.67 117.51 2kss s ASP 32 Ca 0.18 0.72 0.01 0.00 0.43 0.00 0.00 52.55 53.88 2kss s ASP 32 Cb -0.04 -2.14 -0.04 0.00 -0.30 0.00 0.00 42.92 40.40 2kss s ASP 32 CO 0.11 0.05 0.16 -0.69 -0.17 0.00 0.00 175.17 174.64 2kss s VAL 33 N -1.63 5.10 0.16 1.11 1.01 -1.26 -5.04 120.40 119.84 2kss s VAL 33 Ca 0.41 -0.49 -0.34 0.00 0.00 0.00 0.00 61.98 61.56 2kss s VAL 33 Cb -0.12 -3.46 -0.14 0.00 0.00 0.00 0.00 36.38 32.65 2kss s VAL 33 CO 0.22 0.16 1.48 0.47 0.00 0.00 0.00 175.10 177.43 2kss n ASP 34 N 0.45 2.65 -0.90 3.32 8.00 -1.26 -4.11 116.55 124.70 2kss n ASP 34 Ca -0.07 1.10 0.00 0.00 0.71 0.00 0.00 54.79 56.53 2kss n ASP 34 Cb 0.51 -1.37 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 2kss n ASP 34 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kss n GLY 35 N 2.93 -0.64 3.45 0.44 0.00 -1.26 -5.05 105.19 105.05 2kss n GLY 35 Ca 0.16 -0.36 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 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 -0.42 -1.60 -0.06 4.61 0.00 -1.26 -4.87 121.76 118.17 2kss s ALA 36 Ca 0.00 0.77 -0.09 0.00 0.00 0.00 0.00 51.96 52.63 2kss s ALA 36 Cb 0.00 0.51 -0.05 0.00 0.00 0.00 0.00 23.12 23.58 2kss s ALA 36 CO 0.00 -0.59 0.39 -1.00 0.00 0.00 0.00 175.76 174.56 2kss h PRO 37 N 2.46 -0.33 -5.05 0.00 0.13 -1.96 -3.48 132.00 123.77 2kss h PRO 37 Ca -0.31 0.02 -0.55 0.00 -0.87 0.00 0.00 66.00 64.29 2kss h PRO 37 Cb 1.24 0.07 -0.13 0.00 0.13 0.00 0.00 31.00 32.31 2kss h PRO 37 CO 0.39 -0.22 -0.52 0.14 -0.23 0.00 0.00 178.00 177.56 2kss s VAL 38 N -2.65 0.64 0.20 1.56 -7.23 -1.26 -5.06 120.40 106.60 2kss s VAL 38 Ca -0.05 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.16 2kss s VAL 38 Cb 0.00 -2.37 -0.03 0.00 0.56 0.00 0.00 36.38 34.54 2kss s VAL 38 CO 0.15 0.00 0.29 -0.60 -0.31 0.00 0.00 175.10 174.63 2kss s ARG 39 N -3.73 3.34 0.44 4.82 3.00 -1.26 -4.96 118.95 120.60 2kss s ARG 39 Ca 0.24 -0.74 -0.25 0.00 -1.00 0.00 0.00 55.73 53.98 2kss s ARG 39 Cb 0.03 -2.86 -0.08 0.00 0.00 0.00 0.00 34.95 32.04 2kss s ARG 39 CO 0.14 0.47 1.36 0.42 0.00 0.00 0.00 175.30 177.69 2kss s ILE 40 N -1.89 2.33 -0.01 4.11 -1.09 -1.26 -1.79 121.20 121.59 2kss s ILE 40 Ca 0.34 0.28 0.00 0.00 -2.23 0.00 0.00 60.65 59.04 2kss s ILE 40 Cb -0.10 -3.16 0.00 0.00 -1.58 0.00 0.00 42.46 37.62 2kss s ILE 40 CO 0.28 0.04 0.00 0.61 -1.23 0.00 0.00 174.94 174.63 2kss n GLY 41 N 0.62 0.39 3.78 6.18 0.00 -1.23 -5.00 105.19 109.93 2kss n GLY 41 Ca 0.05 -0.02 -0.38 0.00 0.00 0.00 0.00 46.02 45.67 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 -1.76 3.41 -0.30 4.61 0.00 -0.74 -4.86 121.76 122.11 2kss s ALA 42 Ca 0.00 0.35 -0.14 0.00 0.00 0.00 0.00 51.96 52.17 2kss s ALA 42 Cb 0.00 -2.97 -0.03 0.00 0.00 0.00 0.00 23.12 20.12 2kss s ALA 42 CO 0.00 0.28 0.31 0.21 0.00 0.00 0.00 175.76 176.56 2kss s LYS 43 N -1.45 3.81 0.41 0.00 2.20 -1.26 -1.64 119.74 121.81 2kss s LYS 43 Ca 0.39 -0.26 0.07 0.00 -0.36 0.00 0.00 55.97 55.82 2kss s LYS 43 Cb -0.21 -3.72 -0.04 0.00 -1.51 0.00 0.00 37.83 32.35 2kss s LYS 43 CO 0.25 -0.35 0.27 0.14 -0.36 0.00 0.00 175.35 175.30 2kss s VAL 44 N 1.94 2.48 -0.22 4.02 -7.23 0.52 -2.84 120.40 119.06 2kss s VAL 44 Ca 0.11 -1.54 0.00 0.00 -1.81 0.00 0.00 61.98 58.75 2kss s VAL 44 Cb -0.16 -3.00 0.03 0.00 0.56 0.00 0.00 36.38 33.81 2kss s VAL 44 CO 0.11 -0.00 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.02 2kss s LYS 45 N -4.01 2.79 -0.05 4.82 2.20 -0.93 -1.98 119.74 122.58 2kss s LYS 45 Ca 0.44 -0.98 -0.30 0.00 -0.36 0.00 0.00 55.97 54.77 2kss s LYS 45 Cb 0.01 -2.80 -0.06 0.00 -1.51 0.00 0.00 37.83 33.47 2kss s LYS 45 CO 0.25 -0.35 1.71 0.08 -0.36 0.00 0.00 175.35 176.68 2kss s VAL 46 N 1.27 3.49 0.03 4.02 1.01 0.99 -3.66 120.40 127.55 2kss s VAL 46 Ca 0.00 0.59 -0.30 0.00 0.00 0.00 0.00 61.98 62.27 2kss s VAL 46 Cb -0.16 -3.39 -0.08 0.00 0.00 0.00 0.00 36.38 32.75 2kss s VAL 46 CO -0.08 -0.07 1.83 0.54 0.00 0.00 0.00 175.10 177.32 2kss s VAL 47 N 4.28 3.09 -1.41 2.92 0.11 -1.26 -2.57 120.40 125.55 2kss s VAL 47 Ca 0.76 0.25 0.23 0.00 -2.93 0.00 0.00 61.98 60.29 2kss s VAL 47 Cb -0.34 -3.16 0.39 0.00 -1.53 0.00 0.00 36.38 31.73 2kss s VAL 47 CO 0.32 -0.02 1.74 -0.81 -3.33 0.00 0.00 175.10 173.00 2kss n PRO 48 N 6.91 0.31 -4.50 1.54 -0.04 -1.26 -4.36 135.00 133.60 2kss n PRO 48 Ca 0.18 0.07 -0.32 0.00 -0.04 0.00 0.00 63.50 63.40 2kss n PRO 48 Cb 0.41 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.26 2kss n PRO 48 CO 0.00 0.00 0.00 -1.58 -0.04 0.00 0.00 175.50 173.88 2kss s HIS 49 N -2.59 2.86 -0.12 0.54 5.04 -1.26 -4.71 115.29 115.05 2kss s HIS 49 Ca 0.21 -0.06 -0.12 0.00 -1.54 0.00 0.00 55.06 53.56 2kss s HIS 49 Cb 0.15 -1.61 -0.05 0.00 0.04 0.00 0.00 32.58 31.12 2kss s HIS 49 CO 0.35 0.35 0.25 0.45 -2.34 0.00 0.00 174.74 173.80 2kss s SER 50 N -1.34 6.47 -0.10 9.88 0.15 -1.26 -4.97 113.70 122.53 2kss s SER 50 Ca 0.16 0.55 -0.02 0.00 0.70 0.00 0.00 55.95 57.34 2kss s SER 50 Cb -0.11 -2.15 -0.05 0.00 -1.71 0.00 0.00 66.02 62.00 2kss s SER 50 CO 0.07 0.24 -0.10 -0.62 1.20 0.00 0.00 173.24 174.02 2kss n GLU 51 N 2.77 0.22 -0.00 5.44 -0.58 -1.26 -4.89 120.64 122.33 2kss n GLU 51 Ca -0.15 0.07 -0.00 0.00 -0.42 0.00 0.00 57.16 56.66 2kss n GLU 51 Cb 0.53 -1.01 -0.00 0.00 -0.57 0.00 0.00 31.44 30.39 2kss n GLU 51 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 2kss h ASP 52 N -0.18 0.00 0.00 1.62 3.45 -1.99 -3.50 116.42 115.82 2kss h ASP 52 Ca -0.23 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.23 2kss h ASP 52 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 2kss h ASP 52 CO -0.09 0.02 0.00 0.61 -1.57 0.00 0.00 179.24 178.20 2kss n GLY 53 N 1.79 -0.61 3.74 2.75 0.00 -1.26 -5.13 105.19 106.46 2kss n GLY 53 Ca -0.00 0.07 -0.41 0.00 0.00 0.00 0.00 46.02 45.67 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 0.00 2.73 0.04 2.61 -1.32 -1.26 -4.99 115.64 113.45 2kss s THR 54 Ca 0.00 0.60 -0.27 0.00 -1.21 0.00 0.00 61.69 60.80 2kss s THR 54 Cb 0.00 -3.38 0.09 0.00 -1.51 0.00 0.00 72.50 67.70 2kss s THR 54 CO 0.00 0.09 0.87 -0.51 -2.21 0.00 0.00 174.62 172.85 2kss s ILE 55 N 0.21 0.00 -0.17 5.08 -1.16 -1.26 -4.84 121.20 119.05 2kss s ILE 55 Ca 0.61 -0.13 0.00 0.00 -0.51 0.00 0.00 60.65 60.62 2kss s ILE 55 Cb -0.41 -1.18 0.04 0.00 0.61 0.00 0.00 42.46 41.51 2kss s ILE 55 CO 0.41 0.00 -0.09 -0.55 -2.81 0.00 0.00 174.94 171.90 2kss s SER 56 N -2.59 2.96 0.27 4.50 0.15 -1.26 -5.00 113.70 112.72 2kss s SER 56 Ca 0.06 -0.69 -0.05 0.00 0.70 0.00 0.00 55.95 55.97 2kss s SER 56 Cb -0.01 -1.06 0.32 0.00 -1.71 0.00 0.00 66.02 63.56 2kss s SER 56 CO -0.07 -0.15 1.93 -0.61 1.20 0.00 0.00 173.24 175.54 2kss h GLN 57 N 8.06 1.22 -0.37 5.44 4.15 -1.98 -1.62 115.11 130.01 2kss h GLN 57 Ca -0.28 -0.09 0.07 0.00 0.77 0.00 0.00 58.65 59.12 2kss h GLN 57 Cb 1.11 -0.27 -0.07 0.00 0.21 0.00 0.00 27.48 28.47 2kss h GLN 57 CO 0.45 0.83 -0.05 0.00 -1.93 0.00 0.00 178.83 178.12 2kss h ARG 58 N 1.25 0.04 -0.78 1.69 3.08 -2.04 0.20 114.38 117.82 2kss h ARG 58 Ca 0.33 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.38 2kss h ARG 58 Cb -0.11 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 29.93 2kss h ARG 58 CO -0.07 0.02 0.00 1.19 -1.07 0.00 0.00 179.97 180.05 2kss n PHE 59 N -5.25 0.93 -1.54 3.04 3.72 -0.93 -4.87 117.46 112.56 2kss n PHE 59 Ca 0.02 -0.33 -0.37 0.00 -0.05 0.00 0.00 57.45 56.72 2kss n PHE 59 Cb 0.20 -0.27 -0.06 0.00 -0.94 0.00 0.00 39.48 38.40 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 0.30 1.76 -2.88 4.37 7.94 0.69 -0.92 117.00 128.26 2kss n LEU 60 Ca 0.13 -0.36 -0.14 0.00 -1.11 0.00 0.00 56.01 54.53 2kss n LEU 60 Cb 0.66 -1.41 0.07 0.00 0.53 0.00 0.00 43.42 43.27 2kss n LEU 60 CO 0.15 -1.39 0.10 0.61 -1.11 0.00 0.00 177.39 175.74 2kss n GLY 61 N 6.15 -0.18 3.86 -3.96 0.00 -1.06 -4.82 105.19 105.17 2kss n GLY 61 Ca 0.45 -0.02 -0.24 0.00 0.00 0.00 0.00 46.02 46.20 2kss n GLY 61 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 2kss n GLN 62 N -3.47 0.65 -3.72 1.61 -0.06 -0.10 -4.89 117.38 107.40 2kss n GLN 62 Ca -0.20 -3.36 -0.24 0.00 -2.00 0.00 0.00 57.00 51.20 2kss n GLN 62 Cb 0.62 0.17 -0.17 0.00 -4.06 0.00 0.00 30.24 26.80 2kss n GLN 62 CO 0.00 0.00 0.00 0.99 -0.20 0.00 0.00 177.06 177.85 2kss s THR 63 N -2.71 0.26 0.31 1.69 2.01 -1.26 -0.01 115.64 115.94 2kss s THR 63 Ca 0.41 -0.05 0.04 0.00 0.31 0.00 0.00 61.69 62.40 2kss s THR 63 Cb -0.03 -0.61 -0.03 0.00 0.01 0.00 0.00 72.50 71.83 2kss s THR 63 CO 0.26 0.04 0.19 -0.83 -0.69 0.00 0.00 174.62 173.59 2kss s GLY 64 N 2.00 2.15 0.19 4.40 0.00 -0.84 -4.55 107.32 110.68 2kss s GLY 64 Ca 0.03 -1.80 0.05 0.00 0.00 0.00 0.00 44.72 43.00 2kss s GLY 64 CO -0.06 -1.55 0.23 -0.42 0.00 0.00 0.00 173.10 171.29 2kss s ILE 65 N -3.57 4.83 -0.40 0.90 -1.09 -1.02 -0.36 121.20 120.49 2kss s ILE 65 Ca 0.36 -1.03 -0.23 0.00 -2.23 0.00 0.00 60.65 57.53 2kss s ILE 65 Cb 0.04 -3.53 0.02 0.00 -1.58 0.00 0.00 42.46 37.40 2kss s ILE 65 CO 0.20 -0.20 0.76 -0.69 -1.23 0.00 0.00 174.94 173.78 2kss s VAL 66 N -1.87 4.73 0.10 2.92 1.01 -0.65 -1.37 120.40 125.26 2kss s VAL 66 Ca 0.33 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.95 2kss s VAL 66 Cb -0.10 -4.23 -0.24 0.00 0.00 0.00 0.00 36.38 31.81 2kss s VAL 66 CO 0.26 -0.54 1.22 0.58 0.00 0.00 0.00 175.10 176.63 2kss h VAL 67 N 5.84 1.59 -4.02 2.92 2.07 -1.43 -3.27 116.25 119.95 2kss h VAL 67 Ca -0.25 -3.17 -0.42 0.00 0.82 0.00 0.00 66.70 63.68 2kss h VAL 67 Cb 1.09 2.86 -0.24 0.00 -1.52 0.00 0.00 31.29 33.48 2kss h VAL 67 CO 0.92 0.92 -0.79 -0.83 0.02 0.00 0.00 177.57 177.81 2kss s GLY 68 N -4.66 0.74 0.20 2.17 0.00 -1.25 -4.97 107.32 99.55 2kss s GLY 68 Ca -0.02 -0.80 0.08 0.00 0.00 0.00 0.00 44.72 43.98 2kss s GLY 68 CO 0.85 -0.78 0.03 -2.27 0.00 0.00 0.00 173.10 170.93 2kss s LEU 69 N -1.16 3.37 -0.52 0.66 0.20 -1.26 -3.00 118.68 116.97 2kss s LEU 69 Ca 0.00 -0.42 -0.24 0.00 0.69 0.00 0.00 54.13 54.17 2kss s LEU 69 Cb -0.08 -1.98 0.04 0.00 -0.43 0.00 0.00 46.19 43.74 2kss s LEU 69 CO 0.01 0.05 0.89 0.68 -0.29 0.00 0.00 176.35 177.69 2kss s VAL 70 N -1.91 4.48 0.25 1.68 -7.23 -1.26 -4.31 120.40 112.09 2kss s VAL 70 Ca 0.29 0.27 0.01 0.00 -1.81 0.00 0.00 61.98 60.74 2kss s VAL 70 Cb -0.08 -4.47 -0.05 0.00 0.56 0.00 0.00 36.38 32.33 2kss s VAL 70 CO 0.20 -1.00 0.08 -0.36 -0.31 0.00 0.00 175.10 173.71 2kss s PHE 71 N 3.71 1.49 -0.61 2.82 0.08 -1.26 -4.75 117.98 119.46 2kss s PHE 71 Ca 0.29 -1.15 -0.38 0.00 0.12 0.00 0.00 56.93 55.81 2kss s PHE 71 Cb -0.13 -0.87 -0.18 0.00 -0.57 0.00 0.00 43.02 41.27 2kss s PHE 71 CO 0.20 -0.31 2.31 -3.47 -0.10 0.00 0.00 175.22 173.84 2kss n ASP 72 N -0.43 0.90 -4.63 1.36 2.03 -1.26 -4.81 116.55 109.71 2kss n ASP 72 Ca -0.01 0.46 -0.43 0.00 0.52 0.00 0.00 54.79 55.33 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 -0.72 0.00 0.00 41.12 40.05 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 -1.92 0.00 0.00 177.20 173.47 2kss s ASP 73 N 7.24 6.78 0.38 1.67 -0.00 -1.26 -4.71 116.67 126.77 2kss s ASP 73 Ca 1.22 0.99 0.00 0.00 -0.00 0.00 0.00 52.55 54.76 2kss s ASP 73 Cb -1.29 -2.54 0.00 0.00 -0.00 0.00 0.00 42.92 39.09 2kss s ASP 73 CO 0.57 -1.02 0.00 -0.81 -0.00 0.00 0.00 175.17 173.91 2kss n PRO 74 N 7.22 0.43 0.00 8.23 -0.04 -1.26 -4.77 135.00 144.80 2kss n PRO 74 Ca 0.13 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.72 2kss n PRO 74 Cb 0.47 0.00 0.72 0.00 -0.04 0.00 0.00 33.50 34.65 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 2.40 -0.35 0.55 0.00 -1.26 -2.43 120.51 116.42 2kss n ALA 75 Ca 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kss n ALA 75 Cb 0.00 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.02 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 -1.16 0.60 -1.57 0.00 5.66 -1.26 -5.12 114.28 111.44 2kss n THR 76 Ca 0.16 -0.63 0.04 0.00 -3.05 0.00 0.00 64.05 60.57 2kss n THR 76 Cb 0.15 0.73 -0.02 0.00 -1.55 0.00 0.00 70.33 69.64 2kss n THR 76 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kss n GLN 77 N -0.30 -3.93 -3.52 1.09 6.02 -1.02 -5.04 117.38 110.69 2kss n GLN 77 Ca 0.00 3.08 -0.12 0.00 -0.01 0.00 0.00 57.00 59.95 2kss n GLN 77 Cb 0.32 -3.98 -0.04 0.00 1.02 0.00 0.00 30.24 27.55 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 -1.01 0.00 0.00 177.06 175.58 2kss s TYR 78 N -5.18 -0.47 -0.06 1.08 6.14 -1.26 -4.67 117.35 112.92 2kss s TYR 78 Ca 0.00 0.62 -0.13 0.00 0.64 0.00 0.00 57.07 58.19 2kss s TYR 78 Cb 0.00 0.48 -0.09 0.00 0.42 0.00 0.00 41.96 42.77 2kss s TYR 78 CO 0.00 -0.55 0.53 -1.00 0.64 0.00 0.00 175.55 175.17 2kss h PRO 79 N 2.45 -0.26 0.00 4.97 0.13 -1.92 -3.40 132.00 133.97 2kss h PRO 79 Ca -0.24 0.02 -0.07 0.00 -0.87 0.00 0.00 66.00 64.84 2kss h PRO 79 Cb 1.20 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kss h PRO 79 CO 0.34 -0.01 -1.30 -3.47 -0.23 0.00 0.00 178.00 173.33 2kss n ASP 80 N -4.95 3.85 -4.24 1.44 -0.08 -1.26 -5.04 116.55 106.27 2kss n ASP 80 Ca -0.05 0.00 -0.16 0.00 -1.51 0.00 0.00 54.79 53.06 2kss n ASP 80 Cb 0.19 0.74 -0.11 0.00 2.34 0.00 0.00 41.12 44.28 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kss s ASP 81 N -3.37 1.89 0.45 1.67 1.11 -1.26 -5.03 116.67 112.12 2kss s ASP 81 Ca -0.02 -0.88 0.28 0.00 0.18 0.00 0.00 52.55 52.11 2kss s ASP 81 Cb 0.02 -0.04 0.88 0.00 1.07 0.00 0.00 42.92 44.84 2kss s ASP 81 CO 0.20 -0.21 1.79 1.55 1.18 0.00 0.00 175.17 179.68 2kss h PRO 82 N 3.28 0.00 -5.04 8.23 0.13 -1.92 -3.39 132.00 133.29 2kss h PRO 82 Ca -0.38 0.00 -0.51 0.00 -0.87 0.00 0.00 66.00 64.24 2kss h PRO 82 Cb 1.20 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.19 2kss h PRO 82 CO 0.55 0.00 -0.54 -0.48 -0.23 0.00 0.00 178.00 177.30 2kss s LEU 83 N -5.88 1.95 0.37 1.56 2.34 -1.26 -4.65 118.68 113.11 2kss s LEU 83 Ca 0.05 -1.60 -0.25 0.00 0.06 0.00 0.00 54.13 52.39 2kss s LEU 83 Cb 0.08 -0.08 -0.09 0.00 -0.56 0.00 0.00 46.19 45.53 2kss s LEU 83 CO 0.58 -0.87 1.05 0.27 -1.06 0.00 0.00 176.35 176.33 2kss s ILE 84 N -3.32 3.72 -0.04 1.48 -4.36 -1.26 -4.61 121.20 112.83 2kss s ILE 84 Ca 0.29 1.39 0.03 0.00 -0.26 0.00 0.00 60.65 62.10 2kss s ILE 84 Cb 0.04 -3.76 0.01 0.00 1.25 0.00 0.00 42.46 40.00 2kss s ILE 84 CO 0.15 0.08 -0.10 0.00 0.24 0.00 0.00 174.94 175.31 2kss s GLN 85 N -2.28 1.22 0.03 0.37 -2.07 -1.16 -1.59 119.66 114.18 2kss s GLN 85 Ca 0.55 -0.35 0.01 0.00 -1.82 0.00 0.00 55.36 53.75 2kss s GLN 85 Cb -0.23 -1.09 -0.04 0.00 -1.09 0.00 0.00 33.01 30.56 2kss s GLN 85 CO 0.30 0.09 0.08 0.08 -1.32 0.00 0.00 175.29 174.51 2kss s VAL 86 N 0.36 4.62 -0.10 3.63 1.01 0.14 -1.00 120.40 129.06 2kss s VAL 86 Ca -0.07 -0.57 -0.02 0.00 0.00 0.00 0.00 61.98 61.33 2kss s VAL 86 Cb -0.11 -3.16 0.03 0.00 0.00 0.00 0.00 36.38 33.14 2kss s VAL 86 CO 0.01 0.25 0.00 -0.22 0.00 0.00 0.00 175.10 175.15 2kss s LEU 87 N -2.01 0.74 0.27 3.92 0.20 -0.47 -1.61 118.68 119.71 2kss s LEU 87 Ca 0.26 -0.23 -0.11 0.00 0.69 0.00 0.00 54.13 54.74 2kss s LEU 87 Cb -0.12 -0.50 -0.07 0.00 -0.43 0.00 0.00 46.19 45.06 2kss s LEU 87 CO 0.17 -0.21 0.61 -0.69 -0.29 0.00 0.00 176.35 175.95 2kss s VAL 88 N 1.93 4.87 0.12 1.68 1.01 -1.09 -2.44 120.40 126.47 2kss s VAL 88 Ca 0.04 0.57 -0.31 0.00 0.00 0.00 0.00 61.98 62.28 2kss s VAL 88 Cb -0.13 -3.63 -0.08 0.00 0.00 0.00 0.00 36.38 32.54 2kss s VAL 88 CO -0.06 -0.14 1.38 -1.61 0.00 0.00 0.00 175.10 174.67 2kss s GLU 89 N -2.96 4.32 0.00 2.72 2.02 -1.26 -1.84 118.70 121.70 2kss s GLU 89 Ca 0.49 2.07 0.00 0.00 0.02 0.00 0.00 54.97 57.55 2kss s GLU 89 Cb -0.11 -3.24 0.00 0.00 0.10 0.00 0.00 34.13 30.88 2kss s GLU 89 CO 0.21 -0.43 0.00 0.41 0.02 0.00 0.00 175.26 175.48 2kss n GLY 90 N 3.42 0.62 0.00 -1.39 0.00 -1.26 -4.95 105.19 101.63 2kss n GLY 90 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.13 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 -0.77 -5.17 117.00 116.83 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 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kss n LEU 91 CO 0.00 -0.05 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 2kss n GLY 92 N 5.00 1.82 2.88 -0.72 0.00 -1.26 -4.71 105.19 108.19 2kss n GLY 92 Ca 0.00 -1.92 -0.13 0.00 0.00 0.00 0.00 46.02 43.97 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 3.46 0.02 0.18 1.61 -1.05 -1.26 -2.67 118.70 118.99 2kss s GLU 93 Ca 0.00 0.10 0.02 0.00 -0.15 0.00 0.00 54.97 54.94 2kss s GLU 93 Cb 0.00 -0.06 -0.05 0.00 -0.44 0.00 0.00 34.13 33.59 2kss s GLU 93 CO 0.00 -0.05 0.01 0.34 0.95 0.00 0.00 175.26 176.50 2kss s ASP 94 N 0.35 1.21 -0.21 0.83 -1.08 -0.64 -4.98 116.67 112.16 2kss s ASP 94 Ca -0.03 -1.18 -0.08 0.00 -0.52 0.00 0.00 52.55 50.74 2kss s ASP 94 Cb -0.04 0.12 -0.04 0.00 -1.46 0.00 0.00 42.92 41.50 2kss s ASP 94 CO -0.01 -0.58 0.08 -0.76 0.52 0.00 0.00 175.17 174.43 2kss s LEU 95 N -3.18 3.81 0.37 -1.34 1.43 -1.26 -0.68 118.68 117.83 2kss s LEU 95 Ca 0.25 0.04 0.05 0.00 -1.03 0.00 0.00 54.13 53.43 2kss s LEU 95 Cb 0.06 -1.99 -0.07 0.00 0.03 0.00 0.00 46.19 44.23 2kss s LEU 95 CO 0.04 0.12 0.04 -0.36 0.23 0.00 0.00 176.35 176.42 2kss s PHE 96 N 0.72 2.22 0.28 0.29 0.40 -0.62 -4.98 117.98 116.29 2kss s PHE 96 Ca 0.04 -0.83 0.01 0.00 -0.60 0.00 0.00 56.93 55.55 2kss s PHE 96 Cb -0.13 -1.52 -0.04 0.00 0.51 0.00 0.00 43.02 41.85 2kss s PHE 96 CO 0.02 0.21 0.47 -0.06 0.70 0.00 0.00 175.22 176.56 2kss s PHE 97 N -3.02 3.48 -0.35 0.36 0.40 -1.26 -3.97 117.98 113.62 2kss s PHE 97 Ca 0.35 0.29 0.27 0.00 -0.60 0.00 0.00 56.93 57.24 2kss s PHE 97 Cb 0.09 -1.83 0.88 0.00 0.51 0.00 0.00 43.02 42.67 2kss s PHE 97 CO 0.16 0.26 1.78 -1.00 0.70 0.00 0.00 175.22 177.12 2kss h PRO 98 N 1.22 0.00 -0.01 0.24 0.13 -1.96 -2.67 132.00 128.95 2kss h PRO 98 Ca -0.50 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.63 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 -0.66 -0.85 -0.23 0.00 0.00 178.00 176.89 2kss n GLU 99 N -2.73 0.70 -0.05 0.86 0.28 -1.26 -4.49 120.64 113.95 2kss n GLU 99 Ca 0.03 -0.57 -0.02 0.00 -0.16 0.00 0.00 57.16 56.44 2kss n GLU 99 Cb 0.38 -1.49 -0.01 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 1.39 0.00 -6.55 3.44 4.39 -1.88 -3.48 114.58 111.89 2kss h GLU 100 Ca 0.00 0.00 -0.44 0.00 0.34 0.00 0.00 59.36 59.26 2kss h GLU 100 Cb 0.64 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.31 2kss h GLU 100 CO 0.00 0.00 -0.20 -0.48 -1.16 0.00 0.00 179.01 177.17 2kss s LEU 101 N -7.35 3.65 0.30 1.33 0.05 -1.12 -4.63 118.68 110.91 2kss s LEU 101 Ca -0.07 -0.14 0.04 0.00 0.05 0.00 0.00 54.13 54.02 2kss s LEU 101 Cb 0.01 -2.82 -0.06 0.00 -2.05 0.00 0.00 46.19 41.27 2kss s LEU 101 CO 0.10 -0.76 0.03 -1.83 -0.55 0.00 0.00 176.35 173.34 2kss s GLU 102 N -4.44 1.58 0.06 1.48 -1.05 -1.24 -4.77 118.70 110.32 2kss s GLU 102 Ca 0.52 -1.85 -0.30 0.00 -0.15 0.00 0.00 54.97 53.19 2kss s GLU 102 Cb -0.10 -0.87 -0.05 0.00 -0.44 0.00 0.00 34.13 32.67 2kss s GLU 102 CO 0.35 -0.13 1.06 -1.17 0.95 0.00 0.00 175.26 176.32 2kss s LEU 103 N -3.45 4.40 0.56 1.83 2.96 -1.26 -2.18 118.68 121.55 2kss s LEU 103 Ca 0.34 1.85 -0.16 0.00 -0.22 0.00 0.00 54.13 55.94 2kss s LEU 103 Cb 0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.13 2kss s LEU 103 CO 0.14 -0.29 1.03 0.00 -1.32 0.00 0.00 176.35 175.90 2kss s ALA 104 N 0.72 2.86 -0.07 5.97 0.00 -1.13 -4.87 121.76 125.24 2kss s ALA 104 Ca 0.53 0.33 -0.19 0.00 0.00 0.00 0.00 51.96 52.63 2kss s ALA 104 Cb -0.25 -3.19 -0.15 0.00 0.00 0.00 0.00 23.12 19.53 2kss s ALA 104 CO 0.30 -0.58 0.72 -1.00 0.00 0.00 0.00 175.76 175.19 2kss h PRO 105 N 0.66 -0.15 0.00 0.00 0.13 -1.95 -3.48 132.00 127.20 2kss h PRO 105 Ca -0.47 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kss h PRO 105 Cb 1.21 0.04 0.00 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 105 CO 0.59 0.29 0.00 0.39 -0.23 0.00 0.00 178.00 179.04