#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 5.33 0.01 2.02 -1.16 -1.26 -5.03 121.20 121.12 2kss s ILE 22 Ca 0.00 0.34 -0.35 0.00 -0.51 0.00 0.00 60.65 60.13 2kss s ILE 22 Cb 0.00 -3.56 -0.13 0.00 0.61 0.00 0.00 42.46 39.38 2kss s ILE 22 CO 0.00 0.36 1.70 0.00 -2.81 0.00 0.00 174.94 174.19 2kss n GLN 23 N 4.02 2.00 -1.55 3.50 1.13 -1.26 -4.87 117.38 120.34 2kss n GLN 23 Ca -0.13 0.73 -0.40 0.00 -1.94 0.00 0.00 57.00 55.25 2kss n GLN 23 Cb 0.52 -2.51 0.02 0.00 0.11 0.00 0.00 30.24 28.38 2kss n GLN 23 CO 0.00 0.00 0.00 -0.40 -1.44 0.00 0.00 177.06 175.22 2kss n ASP 24 N 4.88 0.35 -4.56 1.08 5.75 -1.26 -4.81 116.55 117.98 2kss n ASP 24 Ca 0.20 0.93 -0.37 0.00 -0.01 0.00 0.00 54.79 55.55 2kss n ASP 24 Cb 0.27 -1.27 -0.04 0.00 -1.03 0.00 0.00 41.12 39.05 2kss n ASP 24 CO 0.00 0.00 0.00 -2.16 -0.11 0.00 0.00 177.20 174.93 2kss s PRO 25 N -2.02 3.01 -0.07 0.11 0.04 -1.26 -4.81 135.00 130.00 2kss s PRO 25 Ca 0.66 -0.32 -0.24 0.00 0.04 0.00 0.00 61.00 61.14 2kss s PRO 25 Cb -0.53 -4.80 -0.19 0.00 0.04 0.00 0.00 34.50 29.02 2kss s PRO 25 CO 0.55 -2.62 0.93 0.77 0.04 0.00 0.00 177.00 176.67 2kss h SER 26 N 11.38 -0.07 0.00 6.66 0.02 -2.03 -3.46 113.55 126.05 2kss h SER 26 Ca -0.04 -0.57 0.00 0.00 -0.84 0.00 0.00 61.79 60.34 2kss h SER 26 Cb 1.05 0.02 0.00 0.00 0.14 0.00 0.00 62.40 63.61 2kss h SER 26 CO 1.29 0.59 0.00 -0.11 -1.14 0.00 0.00 176.83 177.46 2kss n LEU 27 N -4.81 0.00 -4.14 5.07 7.94 -1.26 -4.83 117.00 114.97 2kss n LEU 27 Ca -0.08 0.00 -0.14 0.00 -1.11 0.00 0.00 56.01 54.68 2kss n LEU 27 Cb 0.31 0.00 -0.11 0.00 0.53 0.00 0.00 43.42 44.15 2kss n LEU 27 CO 0.29 0.00 -0.41 -0.51 -1.11 0.00 0.00 177.39 175.65 2kss s ILE 28 N 0.00 0.80 -0.03 1.96 2.07 -1.26 -5.12 121.20 119.62 2kss s ILE 28 Ca 0.00 -1.51 -0.30 0.00 -1.41 0.00 0.00 60.65 57.43 2kss s ILE 28 Cb 0.00 -1.18 -0.04 0.00 0.13 0.00 0.00 42.46 41.37 2kss s ILE 28 CO 0.00 -0.54 1.26 -0.51 -1.91 0.00 0.00 174.94 173.24 2kss s ILE 29 N -2.26 4.07 0.21 2.00 1.10 -1.26 -5.02 121.20 120.04 2kss s ILE 29 Ca 0.02 1.42 0.09 0.00 -0.51 0.00 0.00 60.65 61.67 2kss s ILE 29 Cb -0.04 -3.91 -0.05 0.00 0.15 0.00 0.00 42.46 38.61 2kss s ILE 29 CO -0.01 0.01 -0.16 0.00 -2.11 0.00 0.00 174.94 172.67 2kss s HIS 31 N -2.70 1.21 0.22 0.00 3.76 -1.26 -4.98 115.29 111.54 2kss s HIS 31 Ca 0.22 0.23 -0.31 0.00 -0.15 0.00 0.00 55.06 55.06 2kss s HIS 31 Cb -0.03 -4.20 -0.10 0.00 1.11 0.00 0.00 32.58 29.36 2kss s HIS 31 CO 0.08 -2.94 1.51 0.34 -0.85 0.00 0.00 174.74 172.88 2kss s ASP 32 N -4.89 6.59 0.13 1.40 -1.08 -1.26 -4.99 116.67 112.57 2kss s ASP 32 Ca 0.76 2.68 -0.04 0.00 -0.52 0.00 0.00 52.55 55.43 2kss s ASP 32 Cb -0.03 -2.61 -0.05 0.00 -1.46 0.00 0.00 42.92 38.77 2kss s ASP 32 CO 0.54 -0.78 0.34 -0.69 0.52 0.00 0.00 175.17 175.11 2kss s VAL 33 N 0.47 5.21 0.44 1.11 1.01 -1.26 -5.06 120.40 122.32 2kss s VAL 33 Ca 0.64 -0.05 -0.25 0.00 0.00 0.00 0.00 61.98 62.33 2kss s VAL 33 Cb -0.43 -3.62 -0.08 0.00 0.00 0.00 0.00 36.38 32.25 2kss s VAL 33 CO 0.39 0.06 1.28 -1.81 0.00 0.00 0.00 175.10 175.01 2kss s ASP 34 N -2.44 6.13 -0.01 3.32 1.01 -1.26 -4.49 116.67 118.93 2kss s ASP 34 Ca 0.40 2.58 -0.00 0.00 0.71 0.00 0.00 52.55 56.24 2kss s ASP 34 Cb -0.12 -2.63 0.00 0.00 1.01 0.00 0.00 42.92 41.18 2kss s ASP 34 CO 0.25 -0.97 0.00 0.61 0.21 0.00 0.00 175.17 175.27 2kss n GLY 35 N 0.63 -2.87 3.51 0.21 0.00 -1.26 -5.13 105.19 100.27 2kss n GLY 35 Ca 0.05 -0.26 -0.09 0.00 0.00 0.00 0.00 46.02 45.73 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 -0.03 -1.79 -0.06 4.61 0.00 -1.26 -4.96 121.76 118.28 2kss s ALA 36 Ca -0.00 0.90 -0.25 0.00 0.00 0.00 0.00 51.96 52.61 2kss s ALA 36 Cb 0.00 0.49 -0.23 0.00 0.00 0.00 0.00 23.12 23.38 2kss s ALA 36 CO 0.01 -0.72 1.05 -1.00 0.00 0.00 0.00 175.76 175.11 2kss h PRO 37 N 2.00 0.11 -5.19 0.00 0.13 -1.97 -3.47 132.00 123.61 2kss h PRO 37 Ca -0.24 -0.11 -0.64 0.00 -0.87 0.00 0.00 66.00 64.14 2kss h PRO 37 Cb 1.25 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 2kss h PRO 37 CO 0.31 0.83 -0.52 0.14 -0.23 0.00 0.00 178.00 178.53 2kss s VAL 38 N -3.26 1.08 0.27 1.56 -7.23 -1.26 -4.99 120.40 106.57 2kss s VAL 38 Ca -0.16 -2.00 0.09 0.00 -1.81 0.00 0.00 61.98 58.10 2kss s VAL 38 Cb 0.00 -2.27 -0.04 0.00 0.56 0.00 0.00 36.38 34.63 2kss s VAL 38 CO 0.72 0.00 0.01 -0.60 -0.31 0.00 0.00 175.10 174.92 2kss s ARG 39 N -3.83 2.30 0.16 4.82 3.52 -1.26 -4.99 118.95 119.66 2kss s ARG 39 Ca 0.12 -1.44 -0.30 0.00 -0.13 0.00 0.00 55.73 53.98 2kss s ARG 39 Cb 0.02 -2.16 -0.08 0.00 -1.56 0.00 0.00 34.95 31.18 2kss s ARG 39 CO 0.07 0.34 1.30 0.42 -0.81 0.00 0.00 175.30 176.62 2kss s ILE 40 N -2.34 3.38 -0.26 4.11 -1.09 -1.26 -2.07 121.20 121.67 2kss s ILE 40 Ca 0.32 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.82 2kss s ILE 40 Cb -0.06 -3.69 0.00 0.00 -1.58 0.00 0.00 42.46 37.13 2kss s ILE 40 CO 0.20 0.13 0.00 0.61 -1.23 0.00 0.00 174.94 174.65 2kss n GLY 41 N 2.76 0.55 3.74 6.18 0.00 -1.24 -4.99 105.19 112.20 2kss n GLY 41 Ca 0.08 -0.29 -0.40 0.00 0.00 0.00 0.00 46.02 45.40 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 -1.90 3.32 -0.48 4.61 0.00 -0.88 -4.88 121.76 121.55 2kss s ALA 42 Ca 0.00 0.53 -0.20 0.00 0.00 0.00 0.00 51.96 52.29 2kss s ALA 42 Cb 0.00 -3.18 0.04 0.00 0.00 0.00 0.00 23.12 19.99 2kss s ALA 42 CO 0.00 0.11 0.62 0.21 0.00 0.00 0.00 175.76 176.71 2kss s LYS 43 N -0.59 3.18 0.42 0.00 2.20 -1.26 -2.76 119.74 120.92 2kss s LYS 43 Ca 0.42 -0.68 0.08 0.00 -0.36 0.00 0.00 55.97 55.43 2kss s LYS 43 Cb -0.24 -4.03 -0.02 0.00 -1.51 0.00 0.00 37.83 32.03 2kss s LYS 43 CO 0.29 -1.13 0.38 0.14 -0.36 0.00 0.00 175.35 174.67 2kss s VAL 44 N 2.70 2.65 -0.18 4.02 -7.23 -0.43 -3.52 120.40 118.41 2kss s VAL 44 Ca 0.18 -1.35 0.01 0.00 -1.81 0.00 0.00 61.98 59.01 2kss s VAL 44 Cb -0.17 -3.00 0.02 0.00 0.56 0.00 0.00 36.38 33.80 2kss s VAL 44 CO 0.15 0.00 -0.18 -0.75 -0.31 0.00 0.00 175.10 174.01 2kss s LYS 45 N -4.13 2.78 -0.01 4.82 2.20 -1.18 -2.20 119.74 122.02 2kss s LYS 45 Ca 0.48 -0.81 -0.30 0.00 -0.36 0.00 0.00 55.97 54.99 2kss s LYS 45 Cb -0.03 -2.49 -0.06 0.00 -1.51 0.00 0.00 37.83 33.74 2kss s LYS 45 CO 0.28 -0.24 1.62 0.08 -0.36 0.00 0.00 175.35 176.72 2kss s VAL 46 N 1.32 3.46 0.09 4.02 1.01 -0.43 -3.96 120.40 125.92 2kss s VAL 46 Ca 0.04 0.70 -0.31 0.00 0.00 0.00 0.00 61.98 62.42 2kss s VAL 46 Cb -0.13 -3.45 -0.10 0.00 0.00 0.00 0.00 36.38 32.69 2kss s VAL 46 CO -0.12 -0.04 1.90 0.54 0.00 0.00 0.00 175.10 177.38 2kss s VAL 47 N 3.44 2.68 -1.17 2.92 0.11 -1.26 -3.86 120.40 123.26 2kss s VAL 47 Ca 0.72 0.00 0.22 0.00 -2.93 0.00 0.00 61.98 59.99 2kss s VAL 47 Cb -0.35 -3.00 0.26 0.00 -1.53 0.00 0.00 36.38 31.77 2kss s VAL 47 CO 0.30 -0.00 1.72 -0.81 -3.33 0.00 0.00 175.10 172.97 2kss n PRO 48 N 6.42 0.13 -3.86 1.54 -0.04 -1.26 -4.64 135.00 133.28 2kss n PRO 48 Ca 0.19 0.10 -0.21 0.00 -0.04 0.00 0.00 63.50 63.54 2kss n PRO 48 Cb 0.39 -1.50 -0.03 0.00 -0.04 0.00 0.00 33.50 32.32 2kss n PRO 48 CO 0.00 0.00 0.00 -1.01 -0.04 0.00 0.00 175.50 174.45 2kss s HIS 49 N -2.83 3.08 -0.29 0.54 3.76 -1.26 -4.76 115.29 113.53 2kss s HIS 49 Ca 0.15 -0.19 -0.10 0.00 -0.15 0.00 0.00 55.06 54.77 2kss s HIS 49 Cb 0.15 -1.68 -0.02 0.00 1.11 0.00 0.00 32.58 32.13 2kss s HIS 49 CO 0.38 0.28 0.15 0.45 -0.85 0.00 0.00 174.74 175.15 2kss s SER 50 N -3.98 5.62 -0.16 1.40 0.15 -1.26 -4.92 113.70 110.55 2kss s SER 50 Ca 0.38 -0.32 -0.01 0.00 0.70 0.00 0.00 55.95 56.70 2kss s SER 50 Cb -0.08 -2.03 -0.09 0.00 -1.71 0.00 0.00 66.02 62.12 2kss s SER 50 CO 0.27 -0.13 -0.15 -0.62 1.20 0.00 0.00 173.24 173.81 2kss n GLU 51 N 5.00 0.38 -0.06 5.44 4.71 -1.26 -4.81 120.64 130.05 2kss n GLU 51 Ca -0.14 0.10 -0.03 0.00 -0.01 0.00 0.00 57.16 57.08 2kss n GLU 51 Cb 0.50 -1.25 -0.01 0.00 -1.01 0.00 0.00 31.44 29.67 2kss n GLU 51 CO 0.00 0.00 0.00 0.22 0.09 0.00 0.00 177.13 177.44 2kss h ASP 52 N -0.14 0.00 0.00 1.62 3.58 -1.94 -3.51 116.42 116.04 2kss h ASP 52 Ca -0.36 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.09 2kss h ASP 52 Cb 1.49 0.00 0.00 0.00 1.72 0.00 0.00 39.33 42.54 2kss h ASP 52 CO -0.10 0.60 0.00 0.61 -2.88 0.00 0.00 179.24 177.47 2kss n GLY 53 N 1.68 -1.62 3.72 -0.78 0.00 -1.26 -5.12 105.19 101.81 2kss n GLY 53 Ca -0.05 0.57 -0.42 0.00 0.00 0.00 0.00 46.02 46.13 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 3.84 0.07 2.61 -1.32 -1.26 -4.93 115.64 114.65 2kss s THR 54 Ca 0.00 1.42 -0.06 0.00 -1.21 0.00 0.00 61.69 61.84 2kss s THR 54 Cb 0.00 -3.91 -0.01 0.00 -1.51 0.00 0.00 72.50 67.07 2kss s THR 54 CO 0.00 0.17 0.12 -0.63 -2.21 0.00 0.00 174.62 172.06 2kss s ILE 55 N 0.54 0.16 -0.29 5.08 -1.09 -1.26 -4.96 121.20 119.39 2kss s ILE 55 Ca 0.56 -1.36 -0.16 0.00 -2.23 0.00 0.00 60.65 57.46 2kss s ILE 55 Cb -0.31 -1.36 -0.03 0.00 -1.58 0.00 0.00 42.46 39.19 2kss s ILE 55 CO 0.32 -0.75 0.42 -0.55 -1.23 0.00 0.00 174.94 173.15 2kss s SER 56 N -2.82 6.28 0.48 3.58 0.15 -1.26 -4.93 113.70 115.19 2kss s SER 56 Ca 0.05 0.21 0.29 0.00 0.70 0.00 0.00 55.95 57.20 2kss s SER 56 Cb 0.05 -2.23 1.01 0.00 -1.71 0.00 0.00 66.02 63.14 2kss s SER 56 CO -0.10 -0.27 1.84 -0.61 1.20 0.00 0.00 173.24 175.30 2kss h GLN 57 N 8.23 0.00 0.08 5.44 5.75 -1.99 -2.21 115.11 130.42 2kss h GLN 57 Ca -0.30 0.00 -0.25 0.00 -0.15 0.00 0.00 58.65 57.94 2kss h GLN 57 Cb 1.15 0.00 0.02 0.00 1.07 0.00 0.00 27.48 29.72 2kss h GLN 57 CO 0.68 0.00 -1.04 -0.09 -2.65 0.00 0.00 178.83 175.73 2kss h ARG 58 N 0.00 0.56 -0.65 1.69 2.43 -2.04 -3.20 114.38 113.17 2kss h ARG 58 Ca 0.00 -0.71 0.00 0.00 -0.81 0.00 0.00 59.98 58.46 2kss h ARG 58 Cb 0.66 0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.43 2kss h ARG 58 CO 0.00 1.30 0.00 1.19 -1.51 0.00 0.00 179.97 180.95 2kss n PHE 59 N -3.93 1.24 -1.54 2.20 3.72 -1.15 -4.86 117.46 113.14 2kss n PHE 59 Ca -0.13 -0.46 -0.14 0.00 -0.05 0.00 0.00 57.45 56.68 2kss n PHE 59 Cb 0.89 -0.28 -0.09 0.00 -0.94 0.00 0.00 39.48 39.06 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 0.62 1.34 -0.33 4.37 0.00 -0.84 -0.63 117.00 121.53 2kss n LEU 60 Ca 0.19 -1.66 0.00 0.00 0.00 0.00 0.00 56.01 54.54 2kss n LEU 60 Cb 0.78 -1.57 0.00 0.00 0.00 0.00 0.00 43.42 42.63 2kss n LEU 60 CO 0.20 -2.78 0.00 0.61 0.00 0.00 0.00 177.39 175.41 2kss n GLY 61 N 6.49 0.76 3.74 -3.96 0.00 -1.25 -4.89 105.19 106.08 2kss n GLY 61 Ca 0.46 -0.27 -0.29 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.85 2.16 -0.05 1.61 2.00 0.20 -5.01 119.66 118.71 2kss s GLN 62 Ca 0.00 -2.13 -0.00 0.00 -2.00 0.00 0.00 55.36 51.23 2kss s GLN 62 Cb 0.00 -1.76 0.03 0.00 0.80 0.00 0.00 33.01 32.08 2kss s GLN 62 CO 0.00 -0.26 -0.01 0.99 -0.50 0.00 0.00 175.29 175.51 2kss s THR 63 N -2.75 0.36 0.28 -0.34 2.01 -1.26 -1.32 115.64 112.62 2kss s THR 63 Ca 0.26 0.05 0.05 0.00 0.31 0.00 0.00 61.69 62.37 2kss s THR 63 Cb 0.04 -0.47 -0.02 0.00 0.01 0.00 0.00 72.50 72.05 2kss s THR 63 CO 0.14 0.22 0.19 0.61 -0.69 0.00 0.00 174.62 175.10 2kss n GLY 64 N 4.62 3.22 3.55 4.40 0.00 -0.93 -4.49 105.19 115.56 2kss n GLY 64 Ca -0.16 -1.90 -0.26 0.00 0.00 0.00 0.00 46.02 43.70 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 -2.99 3.05 -0.04 -0.61 1.01 -1.05 -1.31 121.20 119.26 2kss s ILE 65 Ca 0.28 -1.83 -0.25 0.00 0.00 0.00 0.00 60.65 58.85 2kss s ILE 65 Cb 0.01 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.91 2kss s ILE 65 CO 0.19 -0.18 0.77 -0.69 0.00 0.00 0.00 174.94 175.03 2kss s VAL 66 N -1.88 4.98 -0.06 2.92 1.01 -1.11 -1.82 120.40 124.43 2kss s VAL 66 Ca 0.26 1.60 -0.22 0.00 0.00 0.00 0.00 61.98 63.62 2kss s VAL 66 Cb -0.08 -4.11 -0.30 0.00 0.00 0.00 0.00 36.38 31.89 2kss s VAL 66 CO 0.15 0.24 0.84 0.58 0.00 0.00 0.00 175.10 176.91 2kss h VAL 67 N 4.71 1.48 0.00 2.92 2.07 -1.83 -3.29 116.25 122.32 2kss h VAL 67 Ca -0.41 -2.51 0.00 0.00 0.82 0.00 0.00 66.70 64.60 2kss h VAL 67 Cb 1.20 3.16 0.00 0.00 -1.52 0.00 0.00 31.29 34.13 2kss h VAL 67 CO 0.75 0.70 0.00 0.61 0.02 0.00 0.00 177.57 179.65 2kss n GLY 68 N 1.67 3.35 3.75 2.17 0.00 -1.26 -4.89 105.19 109.98 2kss n GLY 68 Ca -0.15 -0.50 -0.01 0.00 0.00 0.00 0.00 46.02 45.36 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 -0.09 -0.45 0.99 0.20 -1.26 -4.74 118.68 113.32 2kss s LEU 69 Ca 0.00 -0.36 -0.10 0.00 0.69 0.00 0.00 54.13 54.36 2kss s LEU 69 Cb 0.00 1.83 0.10 0.00 -0.43 0.00 0.00 46.19 47.69 2kss s LEU 69 CO 0.00 -0.68 0.33 0.68 -0.29 0.00 0.00 176.35 176.38 2kss s VAL 70 N -2.70 4.39 0.21 1.68 -7.23 -1.26 -4.20 120.40 111.30 2kss s VAL 70 Ca 0.16 -1.53 -0.00 0.00 -1.81 0.00 0.00 61.98 58.80 2kss s VAL 70 Cb 0.00 -3.77 -0.04 0.00 0.56 0.00 0.00 36.38 33.13 2kss s VAL 70 CO 0.01 -0.65 0.11 -0.36 -0.31 0.00 0.00 175.10 173.90 2kss s PHE 71 N 1.43 1.27 -0.63 2.82 0.08 -1.26 -4.80 117.98 116.89 2kss s PHE 71 Ca 0.04 -1.29 -0.38 0.00 0.12 0.00 0.00 56.93 55.42 2kss s PHE 71 Cb -0.25 -0.67 -0.19 0.00 -0.57 0.00 0.00 43.02 41.34 2kss s PHE 71 CO 0.01 -0.51 2.32 -3.47 -0.10 0.00 0.00 175.22 173.48 2kss n ASP 72 N -0.32 0.84 -4.64 1.36 -0.08 -1.26 -4.80 116.55 107.65 2kss n ASP 72 Ca 0.00 0.45 -0.43 0.00 -1.51 0.00 0.00 54.79 53.31 2kss n ASP 72 Cb 0.66 -0.98 -0.02 0.00 2.34 0.00 0.00 41.12 43.12 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 0.12 0.00 0.00 177.20 178.83 2kss s ASP 73 N 7.29 6.75 0.46 1.67 1.47 -1.26 -4.75 116.67 128.30 2kss s ASP 73 Ca 1.23 1.33 0.00 0.00 1.18 0.00 0.00 52.55 56.29 2kss s ASP 73 Cb -1.30 -2.54 0.00 0.00 -0.34 0.00 0.00 42.92 38.74 2kss s ASP 73 CO 0.57 -0.99 0.00 -0.81 0.68 0.00 0.00 175.17 174.62 2kss n PRO 74 N 7.11 0.31 0.00 2.11 -0.04 -1.26 -4.78 135.00 138.44 2kss n PRO 74 Ca 0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.74 2kss n PRO 74 Cb 0.46 0.00 0.76 0.00 -0.04 0.00 0.00 33.50 34.69 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 2.45 -0.39 0.55 0.00 -1.26 -2.42 120.51 116.45 2kss n ALA 75 Ca 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 53.44 53.28 2kss n ALA 75 Cb 0.00 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.01 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 -1.09 0.48 -1.38 0.00 5.66 -1.26 -5.12 114.28 111.56 2kss n THR 76 Ca 0.18 -0.55 0.07 0.00 -3.05 0.00 0.00 64.05 60.70 2kss n THR 76 Cb 0.13 0.84 -0.04 0.00 -1.55 0.00 0.00 70.33 69.71 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 -0.24 -3.45 -3.53 1.09 7.27 -1.01 -5.03 117.38 112.47 2kss n GLN 77 Ca 0.00 2.74 -0.13 0.00 0.07 0.00 0.00 57.00 59.68 2kss n GLN 77 Cb 0.29 -3.62 -0.04 0.00 2.41 0.00 0.00 30.24 29.28 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 -4.82 -0.48 -0.07 3.69 6.14 -1.26 -4.64 117.35 115.91 2kss s TYR 78 Ca 0.00 0.68 -0.15 0.00 0.64 0.00 0.00 57.07 58.24 2kss s TYR 78 Cb 0.00 0.47 -0.11 0.00 0.42 0.00 0.00 41.96 42.74 2kss s TYR 78 CO 0.00 -0.53 0.58 -1.00 0.64 0.00 0.00 175.55 175.24 2kss h PRO 79 N 2.53 -0.22 0.00 4.97 0.13 -1.92 -3.41 132.00 134.08 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 1.19 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 79 CO 0.34 0.09 -1.29 -0.25 -0.23 0.00 0.00 178.00 176.66 2kss n ASP 80 N -4.91 3.90 -4.40 1.44 9.92 -1.26 -5.05 116.55 116.19 2kss n ASP 80 Ca -0.06 0.00 -0.20 0.00 -0.53 0.00 0.00 54.79 54.00 2kss n ASP 80 Cb 0.21 0.72 -0.10 0.00 -0.64 0.00 0.00 41.12 41.30 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 0.13 0.00 0.00 177.20 175.52 2kss s ASP 81 N -3.37 2.41 0.21 -2.24 1.11 -1.26 -5.05 116.67 108.48 2kss s ASP 81 Ca -0.02 -1.23 0.07 0.00 0.18 0.00 0.00 52.55 51.55 2kss s ASP 81 Cb 0.02 -0.10 0.12 0.00 1.07 0.00 0.00 42.92 44.03 2kss s ASP 81 CO 0.18 -0.44 1.47 1.55 1.18 0.00 0.00 175.17 179.12 2kss h PRO 82 N 2.31 0.06 -5.13 8.23 0.13 -1.90 -3.36 132.00 132.35 2kss h PRO 82 Ca -0.40 -0.06 -0.57 0.00 -0.87 0.00 0.00 66.00 64.10 2kss h PRO 82 Cb 1.23 0.02 -0.13 0.00 0.13 0.00 0.00 31.00 32.24 2kss h PRO 82 CO 0.67 0.80 -0.54 -0.48 -0.23 0.00 0.00 178.00 178.22 2kss s LEU 83 N -7.37 2.12 0.41 1.56 2.34 -1.26 -4.67 118.68 111.80 2kss s LEU 83 Ca -0.01 -1.60 -0.24 0.00 0.06 0.00 0.00 54.13 52.33 2kss s LEU 83 Cb 0.11 -0.31 -0.09 0.00 -0.56 0.00 0.00 46.19 45.35 2kss s LEU 83 CO 0.79 -0.84 1.08 0.27 -1.06 0.00 0.00 176.35 176.59 2kss s ILE 84 N -3.15 3.58 -0.00 1.48 -4.36 -1.26 -4.63 121.20 112.87 2kss s ILE 84 Ca 0.23 1.22 0.03 0.00 -0.26 0.00 0.00 60.65 61.88 2kss s ILE 84 Cb 0.04 -3.64 -0.01 0.00 1.25 0.00 0.00 42.46 40.10 2kss s ILE 84 CO 0.13 0.02 -0.09 0.00 0.24 0.00 0.00 174.94 175.23 2kss s GLN 85 N -2.49 0.75 0.03 0.37 0.00 -1.26 -2.14 119.66 114.92 2kss s GLN 85 Ca 0.58 -0.37 0.04 0.00 -0.00 0.00 0.00 55.36 55.61 2kss s GLN 85 Cb -0.24 -0.72 -0.04 0.00 0.00 0.00 0.00 33.01 32.02 2kss s GLN 85 CO 0.30 0.20 -0.05 0.08 0.00 0.00 0.00 175.29 175.81 2kss s VAL 86 N -0.30 3.76 -0.11 3.63 1.01 0.34 -2.20 120.40 126.53 2kss s VAL 86 Ca 0.03 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.14 2kss s VAL 86 Cb -0.04 -2.69 0.04 0.00 0.00 0.00 0.00 36.38 33.69 2kss s VAL 86 CO -0.00 0.31 0.03 -0.22 0.00 0.00 0.00 175.10 175.21 2kss s LEU 87 N -1.70 0.64 0.38 3.92 0.20 -0.76 -1.05 118.68 120.32 2kss s LEU 87 Ca 0.20 -0.31 -0.11 0.00 0.69 0.00 0.00 54.13 54.59 2kss s LEU 87 Cb -0.11 -0.41 -0.07 0.00 -0.43 0.00 0.00 46.19 45.16 2kss s LEU 87 CO 0.11 -0.25 0.75 -0.69 -0.29 0.00 0.00 176.35 175.98 2kss s VAL 88 N 1.99 4.77 0.20 1.68 1.01 -0.93 -2.53 120.40 126.59 2kss s VAL 88 Ca 0.03 0.67 -0.30 0.00 0.00 0.00 0.00 61.98 62.38 2kss s VAL 88 Cb -0.14 -3.70 -0.09 0.00 0.00 0.00 0.00 36.38 32.45 2kss s VAL 88 CO -0.06 -0.43 1.35 -0.70 0.00 0.00 0.00 175.10 175.26 2kss s GLU 89 N -3.62 4.35 -0.19 2.72 -6.30 -1.26 -1.96 118.70 112.44 2kss s GLU 89 Ca 0.52 2.12 0.00 0.00 -2.50 0.00 0.00 54.97 55.10 2kss s GLU 89 Cb -0.10 -3.18 0.00 0.00 0.00 0.00 0.00 34.13 30.85 2kss s GLU 89 CO 0.28 -0.32 0.00 0.41 0.02 0.00 0.00 175.26 175.65 2kss n GLY 90 N 2.49 0.26 0.00 -1.50 0.00 -1.26 -4.91 105.19 100.27 2kss n GLY 90 Ca 0.07 -0.02 0.00 0.00 0.00 0.00 0.00 46.02 46.07 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 -0.21 0.00 0.00 0.99 4.77 -0.83 -5.17 117.00 116.55 2kss n LEU 91 Ca -0.02 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 2kss n LEU 91 Cb 0.43 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.52 2kss n LEU 91 CO 0.03 0.00 0.00 0.61 -1.33 0.00 0.00 177.39 176.70 2kss n GLY 92 N 4.16 1.83 2.91 -0.72 0.00 -1.26 -4.68 105.19 107.42 2kss n GLY 92 Ca 0.00 -2.04 -0.16 0.00 0.00 0.00 0.00 46.02 43.82 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 2.38 0.38 0.26 1.61 -1.05 -1.26 -2.19 118.70 118.84 2kss s GLU 93 Ca 0.00 -0.09 0.05 0.00 -0.15 0.00 0.00 54.97 54.77 2kss s GLU 93 Cb 0.00 -0.42 -0.06 0.00 -0.44 0.00 0.00 34.13 33.22 2kss s GLU 93 CO 0.00 0.02 -0.01 0.34 0.95 0.00 0.00 175.26 176.56 2kss s ASP 94 N 0.27 2.24 -0.19 0.83 -1.08 -0.21 -4.95 116.67 113.58 2kss s ASP 94 Ca -0.03 -1.24 -0.09 0.00 -0.52 0.00 0.00 52.55 50.68 2kss s ASP 94 Cb -0.06 -0.07 -0.05 0.00 -1.46 0.00 0.00 42.92 41.29 2kss s ASP 94 CO -0.00 -0.47 0.10 -0.76 0.52 0.00 0.00 175.17 174.55 2kss s LEU 95 N -3.39 4.05 0.31 -1.34 1.02 -1.26 -0.50 118.68 117.57 2kss s LEU 95 Ca 0.30 0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.66 2kss s LEU 95 Cb 0.06 -2.04 -0.06 0.00 0.02 0.00 0.00 46.19 44.17 2kss s LEU 95 CO 0.11 0.18 0.07 -0.36 0.02 0.00 0.00 176.35 176.38 2kss s PHE 96 N 0.33 1.84 0.24 0.29 0.40 -0.91 -4.98 117.98 115.19 2kss s PHE 96 Ca 0.06 -1.04 0.04 0.00 -0.60 0.00 0.00 56.93 55.39 2kss s PHE 96 Cb -0.12 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.21 2kss s PHE 96 CO -0.01 -0.11 0.36 -0.06 0.70 0.00 0.00 175.22 176.10 2kss s PHE 97 N -3.41 3.46 -0.23 0.36 0.40 -1.26 -4.08 117.98 113.21 2kss s PHE 97 Ca 0.36 0.03 0.28 0.00 -0.60 0.00 0.00 56.93 57.00 2kss s PHE 97 Cb 0.08 -1.61 0.87 0.00 0.51 0.00 0.00 43.02 42.87 2kss s PHE 97 CO 0.15 0.43 1.79 -1.00 0.70 0.00 0.00 175.22 177.29 2kss h PRO 98 N 1.27 0.00 -0.03 0.24 0.13 -1.96 -2.68 132.00 128.97 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 98 CO 0.62 0.00 -0.09 -0.85 -0.23 0.00 0.00 178.00 177.46 2kss n GLU 99 N -2.97 2.09 -0.04 0.86 0.28 -1.26 -4.49 120.64 115.12 2kss n GLU 99 Ca 0.03 -1.71 -0.02 0.00 -0.16 0.00 0.00 57.16 55.29 2kss n GLU 99 Cb 0.40 -1.46 -0.01 0.00 1.43 0.00 0.00 31.44 31.80 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 4.18 0.00 -6.50 3.44 4.39 -1.88 -3.49 114.58 114.73 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 0.93 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.60 2kss h GLU 100 CO 0.00 0.00 -0.23 -0.48 -1.16 0.00 0.00 179.01 177.14 2kss s LEU 101 N -6.52 3.78 0.34 1.33 0.05 -1.18 -4.69 118.68 111.80 2kss s LEU 101 Ca -0.07 -0.03 0.06 0.00 0.05 0.00 0.00 54.13 54.14 2kss s LEU 101 Cb 0.01 -2.89 -0.07 0.00 -2.05 0.00 0.00 46.19 41.19 2kss s LEU 101 CO 0.10 -0.61 0.01 -1.83 -0.55 0.00 0.00 176.35 173.48 2kss s GLU 102 N -4.36 1.73 -0.16 1.48 -1.05 -1.25 -4.80 118.70 110.28 2kss s GLU 102 Ca 0.48 -1.95 -0.29 0.00 -0.15 0.00 0.00 54.97 53.06 2kss s GLU 102 Cb -0.10 -1.20 -0.01 0.00 -0.44 0.00 0.00 34.13 32.38 2kss s GLU 102 CO 0.34 -0.08 1.15 -0.51 0.95 0.00 0.00 175.26 177.11 2kss s LEU 103 N -3.55 4.18 0.49 1.83 1.02 -1.26 -3.11 118.68 118.29 2kss s LEU 103 Ca 0.34 1.60 -0.22 0.00 0.02 0.00 0.00 54.13 55.87 2kss s LEU 103 Cb 0.08 -3.54 -0.08 0.00 0.02 0.00 0.00 46.19 42.66 2kss s LEU 103 CO 0.16 -0.66 1.06 0.00 0.02 0.00 0.00 176.35 176.92 2kss n ALA 104 N 6.08 0.48 0.01 4.21 0.00 -1.23 -4.93 120.51 125.13 2kss n ALA 104 Ca 0.12 0.15 -0.10 0.00 0.00 0.00 0.00 53.44 53.61 2kss n ALA 104 Cb 0.46 -2.14 -0.08 0.00 0.00 0.00 0.00 19.45 17.69 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 1.27 -0.13 0.00 0.00 0.13 -1.94 -3.49 132.00 127.84 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 1.34 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.50 2kss h PRO 105 CO 0.55 0.36 0.00 -1.91 -0.23 0.00 0.00 178.00 176.77