#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 -0.00 0.04 3.17 1.10 -1.26 -5.16 121.20 119.09 2kss s ILE 22 Ca 0.00 0.00 -0.01 0.00 -0.51 0.00 0.00 60.65 60.14 2kss s ILE 22 Cb 0.00 -0.09 -0.03 0.00 0.15 0.00 0.00 42.46 42.48 2kss s ILE 22 CO 0.00 0.00 -0.03 -1.10 -2.11 0.00 0.00 174.94 171.70 2kss s GLN 23 N 0.05 0.54 -0.06 3.50 -0.21 -1.26 -5.16 119.66 117.06 2kss s GLN 23 Ca -0.00 -1.05 0.02 0.00 0.02 0.00 0.00 55.36 54.35 2kss s GLN 23 Cb -0.01 0.16 0.01 0.00 1.00 0.00 0.00 33.01 34.17 2kss s GLN 23 CO 0.00 -0.09 -0.13 0.34 -2.12 0.00 0.00 175.29 173.30 2kss s ASP 24 N -2.51 1.78 -0.12 5.90 2.15 -1.26 -5.11 116.67 117.51 2kss s ASP 24 Ca 0.01 -0.30 -0.29 0.00 0.43 0.00 0.00 52.55 52.39 2kss s ASP 24 Cb 0.03 -0.78 -0.02 0.00 -0.30 0.00 0.00 42.92 41.85 2kss s ASP 24 CO -0.07 0.05 1.25 -2.16 -0.17 0.00 0.00 175.17 174.07 2kss s PRO 25 N 0.57 4.27 -0.25 4.34 0.04 -1.26 -4.91 135.00 137.81 2kss s PRO 25 Ca -0.13 1.68 -0.17 0.00 0.04 0.00 0.00 61.00 62.42 2kss s PRO 25 Cb -0.15 -3.69 -0.15 0.00 0.04 0.00 0.00 34.50 30.55 2kss s PRO 25 CO 0.03 -0.61 -0.10 -1.13 0.04 0.00 0.00 177.00 175.23 2kss n SER 26 N 6.09 1.91 -3.79 6.66 3.41 -1.26 -5.06 113.62 121.58 2kss n SER 26 Ca 0.13 0.38 -0.09 0.00 -0.26 0.00 0.00 58.87 59.03 2kss n SER 26 Cb 0.45 -0.88 -0.03 0.00 -0.26 0.00 0.00 64.21 63.48 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 -7.69 0.16 -0.26 1.04 1.43 -1.26 -5.14 118.68 106.96 2kss s LEU 27 Ca -0.34 -0.90 -0.08 0.00 -1.03 0.00 0.00 54.13 51.78 2kss s LEU 27 Cb 0.11 2.15 -0.02 0.00 0.03 0.00 0.00 46.19 48.45 2kss s LEU 27 CO 0.53 -1.27 0.09 -0.63 0.23 0.00 0.00 176.35 175.29 2kss s ILE 28 N -3.74 4.38 0.29 -0.59 1.01 -1.26 -5.09 121.20 116.21 2kss s ILE 28 Ca 0.19 -0.22 -0.12 0.00 0.00 0.00 0.00 60.65 60.50 2kss s ILE 28 Cb -0.03 -3.09 -0.08 0.00 0.01 0.00 0.00 42.46 39.27 2kss s ILE 28 CO 0.10 0.28 0.66 -0.63 0.00 0.00 0.00 174.94 175.34 2kss s ILE 29 N 1.62 4.81 0.24 2.92 1.01 -1.26 -5.09 121.20 125.44 2kss s ILE 29 Ca 0.06 0.68 0.10 0.00 0.00 0.00 0.00 60.65 61.49 2kss s ILE 29 Cb -0.16 -3.63 -0.05 0.00 0.01 0.00 0.00 42.46 38.64 2kss s ILE 29 CO 0.04 -0.18 -0.17 0.00 0.00 0.00 0.00 174.94 174.62 2kss s HIS 31 N -2.66 1.86 0.89 0.00 3.76 -1.26 -5.14 115.29 112.74 2kss s HIS 31 Ca 0.25 -0.65 -0.12 0.00 -0.15 0.00 0.00 55.06 54.40 2kss s HIS 31 Cb -0.03 -0.99 0.12 0.00 1.11 0.00 0.00 32.58 32.80 2kss s HIS 31 CO 0.11 0.31 1.10 0.16 -0.85 0.00 0.00 174.74 175.57 2kss s ASP 32 N -3.39 3.58 0.01 1.40 1.47 -1.26 -5.07 116.67 113.41 2kss s ASP 32 Ca 0.27 1.38 0.03 0.00 1.18 0.00 0.00 52.55 55.41 2kss s ASP 32 Cb 0.02 -2.06 -0.01 0.00 -0.34 0.00 0.00 42.92 40.53 2kss s ASP 32 CO 0.10 -2.55 -0.10 -0.69 0.68 0.00 0.00 175.17 172.61 2kss s VAL 33 N -3.01 0.78 0.03 2.11 1.01 -1.26 -5.10 120.40 114.96 2kss s VAL 33 Ca 0.63 -0.59 -0.30 0.00 0.00 0.00 0.00 61.98 61.72 2kss s VAL 33 Cb -0.17 -0.69 -0.08 0.00 0.00 0.00 0.00 36.38 35.44 2kss s VAL 33 CO 0.56 0.10 1.75 -1.81 0.00 0.00 0.00 175.10 175.71 2kss s ASP 34 N -0.55 6.57 0.00 3.32 1.01 -1.26 -4.37 116.67 121.39 2kss s ASP 34 Ca 0.02 2.48 0.00 0.00 0.71 0.00 0.00 52.55 55.76 2kss s ASP 34 Cb -0.05 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 41.33 2kss s ASP 34 CO 0.00 -0.95 0.00 0.61 0.21 0.00 0.00 175.17 175.04 2kss n GLY 35 N 4.21 0.32 3.49 0.21 0.00 -1.26 -5.17 105.19 106.99 2kss n GLY 35 Ca 0.18 -0.70 -0.10 0.00 0.00 0.00 0.00 46.02 45.40 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 0.00 -1.78 0.00 4.61 0.00 -1.26 -5.02 121.76 118.32 2kss s ALA 36 Ca 0.00 0.94 -0.20 0.00 0.00 0.00 0.00 51.96 52.70 2kss s ALA 36 Cb 0.00 0.43 -0.22 0.00 0.00 0.00 0.00 23.12 23.33 2kss s ALA 36 CO 0.00 -0.67 1.12 -1.00 0.00 0.00 0.00 175.76 175.21 2kss h PRO 37 N 2.08 0.38 -5.27 0.00 0.13 -1.96 -3.47 132.00 123.89 2kss h PRO 37 Ca -0.25 -0.37 -0.65 0.00 -0.87 0.00 0.00 66.00 63.86 2kss h PRO 37 Cb 1.25 0.10 -0.13 0.00 0.13 0.00 0.00 31.00 32.34 2kss h PRO 37 CO 0.33 1.04 -0.54 0.14 -0.23 0.00 0.00 178.00 178.74 2kss s VAL 38 N -3.33 1.26 -0.08 1.56 -7.23 -1.26 -5.01 120.40 106.31 2kss s VAL 38 Ca -0.14 -2.00 0.01 0.00 -1.81 0.00 0.00 61.98 58.04 2kss s VAL 38 Cb 0.03 -2.38 -0.03 0.00 0.56 0.00 0.00 36.38 34.57 2kss s VAL 38 CO 0.80 0.00 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.92 2kss s ARG 39 N -3.82 2.85 0.20 4.82 3.52 -1.26 -5.06 118.95 120.19 2kss s ARG 39 Ca 0.15 -0.56 -0.33 0.00 -0.13 0.00 0.00 55.73 54.86 2kss s ARG 39 Cb 0.04 -2.61 -0.13 0.00 -1.56 0.00 0.00 34.95 30.69 2kss s ARG 39 CO 0.08 0.60 1.62 -0.89 -0.81 0.00 0.00 175.30 175.90 2kss n ILE 40 N 2.41 0.19 -1.01 4.11 2.08 -1.26 -0.50 119.36 125.37 2kss n ILE 40 Ca -0.18 -0.05 -0.00 0.00 0.56 0.00 0.00 62.75 63.08 2kss n ILE 40 Cb 0.53 -1.74 -0.00 0.00 -0.75 0.00 0.00 39.64 37.68 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 3.37 0.47 3.83 7.39 0.00 -1.25 -5.02 105.19 113.98 2kss n GLY 41 Ca 0.15 -0.48 -0.37 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.99 3.62 -0.35 4.61 0.00 0.34 -4.91 121.76 123.08 2kss s ALA 42 Ca 0.00 -0.10 -0.18 0.00 0.00 0.00 0.00 51.96 51.68 2kss s ALA 42 Cb 0.00 -2.52 -0.00 0.00 0.00 0.00 0.00 23.12 20.60 2kss s ALA 42 CO 0.00 0.45 0.50 0.21 0.00 0.00 0.00 175.76 176.92 2kss s LYS 43 N -1.41 3.59 0.44 0.00 2.20 -1.26 -2.70 119.74 120.60 2kss s LYS 43 Ca 0.31 -0.20 0.07 0.00 -0.36 0.00 0.00 55.97 55.79 2kss s LYS 43 Cb -0.17 -3.82 -0.01 0.00 -1.51 0.00 0.00 37.83 32.32 2kss s LYS 43 CO 0.18 -0.65 0.36 0.14 -0.36 0.00 0.00 175.35 175.02 2kss s VAL 44 N 2.37 2.41 -0.20 4.02 -7.23 -0.02 -3.09 120.40 118.66 2kss s VAL 44 Ca 0.18 -1.42 0.01 0.00 -1.81 0.00 0.00 61.98 58.94 2kss s VAL 44 Cb -0.16 -2.83 0.04 0.00 0.56 0.00 0.00 36.38 33.99 2kss s VAL 44 CO 0.13 0.00 -0.15 -0.75 -0.31 0.00 0.00 175.10 174.03 2kss s LYS 45 N -4.13 2.48 -0.11 4.82 2.20 -1.18 -2.17 119.74 121.66 2kss s LYS 45 Ca 0.45 -0.91 -0.29 0.00 -0.36 0.00 0.00 55.97 54.85 2kss s LYS 45 Cb -0.02 -2.54 -0.04 0.00 -1.51 0.00 0.00 37.83 33.72 2kss s LYS 45 CO 0.26 -0.35 1.57 0.08 -0.36 0.00 0.00 175.35 176.55 2kss s VAL 46 N 1.30 3.75 0.95 4.02 1.01 0.76 -3.93 120.40 128.26 2kss s VAL 46 Ca 0.00 0.90 -0.12 0.00 0.00 0.00 0.00 61.98 62.76 2kss s VAL 46 Cb -0.15 -3.61 0.09 0.00 0.00 0.00 0.00 36.38 32.71 2kss s VAL 46 CO -0.10 -0.12 0.72 1.33 0.00 0.00 0.00 175.10 176.94 2kss n VAL 47 N 5.62 0.00 0.02 2.92 0.24 -1.26 -2.80 118.33 123.07 2kss n VAL 47 Ca 0.17 -0.12 -0.10 0.00 -2.04 0.00 0.00 64.34 62.25 2kss n VAL 47 Cb 0.44 -0.79 -0.07 0.00 -1.47 0.00 0.00 33.84 31.95 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 -1.75 -0.16 -6.11 7.34 0.13 -1.91 -3.34 132.00 126.20 2kss h PRO 48 Ca -0.44 0.01 -0.69 0.00 -0.87 0.00 0.00 66.00 64.01 2kss h PRO 48 Cb 1.28 0.04 -0.28 0.00 0.13 0.00 0.00 31.00 32.17 2kss h PRO 48 CO 0.37 0.29 -0.83 -1.01 -0.23 0.00 0.00 178.00 176.60 2kss s HIS 49 N -2.96 2.57 0.52 1.56 3.76 -1.26 -4.75 115.29 114.74 2kss s HIS 49 Ca -0.12 -0.46 0.07 0.00 -0.15 0.00 0.00 55.06 54.40 2kss s HIS 49 Cb -0.00 -1.63 0.03 0.00 1.11 0.00 0.00 32.58 32.09 2kss s HIS 49 CO 0.43 -0.04 0.46 0.45 -0.85 0.00 0.00 174.74 175.19 2kss s SER 50 N -0.36 4.79 -0.18 1.40 0.15 -1.26 -5.07 113.70 113.18 2kss s SER 50 Ca 0.03 -1.07 0.00 0.00 0.70 0.00 0.00 55.95 55.61 2kss s SER 50 Cb -0.12 0.17 -0.11 0.00 -1.71 0.00 0.00 66.02 64.25 2kss s SER 50 CO 0.02 -1.04 -0.16 -0.62 1.20 0.00 0.00 173.24 172.64 2kss n GLU 51 N -1.79 0.43 -1.21 5.44 1.02 -1.26 -5.02 120.64 118.26 2kss n GLU 51 Ca 0.02 0.11 -0.30 0.00 -0.02 0.00 0.00 57.16 56.97 2kss n GLU 51 Cb 0.63 -1.33 0.25 0.00 -0.02 0.00 0.00 31.44 30.97 2kss n GLU 51 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 2kss s ASP 52 N -5.81 0.93 0.18 1.62 -1.08 -1.26 -4.96 116.67 106.29 2kss s ASP 52 Ca -0.24 0.45 -0.03 0.00 -0.52 0.00 0.00 52.55 52.21 2kss s ASP 52 Cb 0.07 -0.57 0.08 0.00 -1.46 0.00 0.00 42.92 41.04 2kss s ASP 52 CO 0.40 -4.10 1.48 1.23 0.52 0.00 0.00 175.17 174.69 2kss h GLY 53 N -2.57 0.59 -4.43 2.66 0.00 -2.05 -3.43 103.07 93.83 2kss h GLY 53 Ca -0.43 -0.72 -0.53 0.00 0.00 0.00 0.00 47.33 45.65 2kss h GLY 53 CO 0.29 0.65 0.75 -1.08 0.00 0.00 0.00 176.54 177.15 2kss s THR 54 N -3.89 2.98 -0.03 4.70 -1.32 -1.26 -4.98 115.64 111.84 2kss s THR 54 Ca -0.07 0.75 -0.30 0.00 -1.21 0.00 0.00 61.69 60.85 2kss s THR 54 Cb 0.11 -3.48 0.11 0.00 -1.51 0.00 0.00 72.50 67.73 2kss s THR 54 CO 0.84 0.08 1.10 -0.51 -2.21 0.00 0.00 174.62 173.92 2kss s ILE 55 N 0.68 0.00 -0.17 5.08 1.10 -1.26 -4.81 121.20 121.82 2kss s ILE 55 Ca 0.63 -0.19 -0.04 0.00 -0.51 0.00 0.00 60.65 60.54 2kss s ILE 55 Cb -0.39 -1.46 0.08 0.00 0.15 0.00 0.00 42.46 40.84 2kss s ILE 55 CO 0.35 0.00 0.24 -0.44 -2.11 0.00 0.00 174.94 172.97 2kss s SER 56 N -2.62 0.91 0.39 4.50 0.01 -1.26 -5.00 113.70 110.64 2kss s SER 56 Ca 0.10 0.13 0.27 0.00 1.31 0.00 0.00 55.95 57.76 2kss s SER 56 Cb 0.00 0.51 0.87 0.00 0.21 0.00 0.00 66.02 67.62 2kss s SER 56 CO -0.04 -0.29 1.78 -0.61 0.41 0.00 0.00 173.24 174.49 2kss h GLN 57 N 8.30 0.00 0.00 12.44 -0.00 -1.98 -2.69 115.11 131.18 2kss h GLN 57 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.49 2kss h GLN 57 Cb 1.14 0.00 0.00 0.00 0.00 0.00 0.00 27.48 28.62 2kss h GLN 57 CO 0.22 0.00 0.00 -0.09 0.00 0.00 0.00 178.83 178.96 2kss h ARG 58 N 0.00 0.00 -0.22 1.69 2.43 -1.99 -2.91 114.38 113.38 2kss h ARG 58 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 2kss h ARG 58 Cb 0.68 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.23 2kss h ARG 58 CO 0.00 0.00 0.00 1.19 -1.51 0.00 0.00 179.97 179.65 2kss n PHE 59 N -2.82 0.76 -1.54 2.20 3.72 -1.02 -4.92 117.46 113.84 2kss n PHE 59 Ca 0.03 -0.87 -0.31 0.00 -0.05 0.00 0.00 57.45 56.25 2kss n PHE 59 Cb 0.40 -0.27 -0.08 0.00 -0.94 0.00 0.00 39.48 38.59 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 -0.59 1.45 -0.91 4.37 7.94 -1.10 0.42 117.00 128.58 2kss n LEU 60 Ca 0.20 -0.58 -0.04 0.00 -1.11 0.00 0.00 56.01 54.48 2kss n LEU 60 Cb 0.82 -1.37 0.01 0.00 0.53 0.00 0.00 43.42 43.41 2kss n LEU 60 CO 0.13 -1.61 0.02 0.61 -1.11 0.00 0.00 177.39 175.43 2kss n GLY 61 N 6.24 0.59 3.96 -3.96 0.00 -1.12 -4.92 105.19 105.97 2kss n GLY 61 Ca 0.48 -0.56 -0.22 0.00 0.00 0.00 0.00 46.02 45.72 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 -5.00 2.97 -0.20 1.61 2.00 0.17 -4.90 119.66 116.30 2kss s GLN 62 Ca 0.08 -0.62 -0.02 0.00 -2.00 0.00 0.00 55.36 52.80 2kss s GLN 62 Cb -0.04 -2.58 0.06 0.00 0.80 0.00 0.00 33.01 31.25 2kss s GLN 62 CO 0.10 -0.32 0.02 0.99 -0.50 0.00 0.00 175.29 175.58 2kss s THR 63 N -2.55 0.67 0.42 -0.34 2.01 -1.26 -0.17 115.64 114.42 2kss s THR 63 Ca 0.50 -0.64 0.04 0.00 0.31 0.00 0.00 61.69 61.90 2kss s THR 63 Cb -0.10 -1.14 -0.02 0.00 0.01 0.00 0.00 72.50 71.26 2kss s THR 63 CO 0.37 -0.18 0.16 -0.83 -0.69 0.00 0.00 174.62 173.45 2kss s GLY 64 N 1.79 2.68 0.20 4.40 0.00 -0.92 -4.52 107.32 110.95 2kss s GLY 64 Ca -0.02 -1.23 0.08 0.00 0.00 0.00 0.00 44.72 43.55 2kss s GLY 64 CO -0.08 -1.80 0.02 -0.42 0.00 0.00 0.00 173.10 170.83 2kss s ILE 65 N -3.20 3.75 -0.13 0.90 1.01 -1.10 -0.84 121.20 121.59 2kss s ILE 65 Ca 0.24 -1.53 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 2kss s ILE 65 Cb 0.01 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.53 2kss s ILE 65 CO 0.16 -0.20 0.76 -0.69 0.00 0.00 0.00 174.94 174.97 2kss s VAL 66 N -1.92 4.96 -0.05 2.92 1.01 -1.10 -1.59 120.40 124.64 2kss s VAL 66 Ca 0.29 1.51 -0.16 0.00 0.00 0.00 0.00 61.98 63.62 2kss s VAL 66 Cb -0.08 -4.08 -0.31 0.00 0.00 0.00 0.00 36.38 31.91 2kss s VAL 66 CO 0.20 0.12 0.75 0.58 0.00 0.00 0.00 175.10 176.75 2kss h VAL 67 N 5.03 1.14 -3.97 2.92 2.07 -1.71 -3.31 116.25 118.41 2kss h VAL 67 Ca -0.34 -2.52 -0.22 0.00 0.82 0.00 0.00 66.70 64.44 2kss h VAL 67 Cb 1.16 2.89 -0.19 0.00 -1.52 0.00 0.00 31.29 33.64 2kss h VAL 67 CO 0.79 0.78 -0.71 -0.83 0.02 0.00 0.00 177.57 177.62 2kss s GLY 68 N -4.83 0.51 0.56 2.17 0.00 -1.26 -4.90 107.32 99.57 2kss s GLY 68 Ca -0.15 -0.94 0.09 0.00 0.00 0.00 0.00 44.72 43.72 2kss s GLY 68 CO 0.84 -1.01 0.75 -0.10 0.00 0.00 0.00 173.10 173.58 2kss n LEU 69 N 0.93 0.00 -4.15 0.66 0.00 -1.26 -3.52 117.00 109.65 2kss n LEU 69 Ca -0.19 -2.45 -0.36 0.00 0.00 0.00 0.00 56.01 53.00 2kss n LEU 69 Cb 0.57 -0.39 -0.12 0.00 0.00 0.00 0.00 43.42 43.49 2kss n LEU 69 CO 0.24 -0.70 -0.22 0.68 0.00 0.00 0.00 177.39 177.40 2kss s VAL 70 N -2.50 3.30 0.22 1.96 -7.23 -1.26 -4.13 120.40 110.77 2kss s VAL 70 Ca 0.57 -1.80 0.00 0.00 -1.81 0.00 0.00 61.98 58.94 2kss s VAL 70 Cb -0.05 -3.14 -0.05 0.00 0.56 0.00 0.00 36.38 33.71 2kss s VAL 70 CO 0.36 -0.51 0.10 -0.36 -0.31 0.00 0.00 175.10 174.38 2kss s PHE 71 N 1.20 1.35 -0.65 2.82 0.08 -1.26 -4.95 117.98 116.56 2kss s PHE 71 Ca 0.04 -1.24 -0.38 0.00 0.12 0.00 0.00 56.93 55.48 2kss s PHE 71 Cb -0.22 -0.74 -0.19 0.00 -0.57 0.00 0.00 43.02 41.30 2kss s PHE 71 CO -0.03 -0.44 2.35 -3.47 -0.10 0.00 0.00 175.22 173.54 2kss n ASP 72 N -0.36 0.84 -4.63 1.36 4.64 -1.26 -4.80 116.55 112.35 2kss n ASP 72 Ca -0.00 0.42 -0.43 0.00 -1.38 0.00 0.00 54.79 53.40 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 -1.04 0.00 0.00 41.12 39.73 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 -0.82 0.00 0.00 177.20 174.57 2kss s ASP 73 N 7.50 6.66 0.12 1.67 1.01 -1.26 -4.72 116.67 127.66 2kss s ASP 73 Ca 1.23 1.10 0.00 0.00 0.71 0.00 0.00 52.55 55.59 2kss s ASP 73 Cb -1.27 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.12 2kss s ASP 73 CO 0.56 -1.11 0.00 -0.81 0.21 0.00 0.00 175.17 174.02 2kss n PRO 74 N 7.39 0.82 0.00 8.23 -0.04 -1.26 -4.73 135.00 145.41 2kss n PRO 74 Ca 0.14 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.73 2kss n PRO 74 Cb 0.47 0.00 0.75 0.00 -0.04 0.00 0.00 33.50 34.68 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 2.43 -0.47 0.55 0.00 -1.26 -2.30 120.51 116.47 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 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.03 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 -1.04 0.38 -1.47 0.00 5.66 -1.26 -5.13 114.28 111.42 2kss n THR 76 Ca 0.18 -0.46 0.10 0.00 -3.05 0.00 0.00 64.05 60.82 2kss n THR 76 Cb 0.10 0.94 -0.05 0.00 -1.55 0.00 0.00 70.33 69.77 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 -0.19 -3.47 -3.52 1.09 6.02 -0.97 -5.02 117.38 111.32 2kss n GLN 77 Ca 0.00 2.78 -0.13 0.00 -0.01 0.00 0.00 57.00 59.63 2kss n GLN 77 Cb 0.29 -3.78 -0.05 0.00 1.02 0.00 0.00 30.24 27.73 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 -4.80 -0.50 -0.07 1.08 6.14 -1.26 -4.65 117.35 113.30 2kss s TYR 78 Ca 0.00 0.72 -0.14 0.00 0.64 0.00 0.00 57.07 58.29 2kss s TYR 78 Cb 0.00 0.46 -0.09 0.00 0.42 0.00 0.00 41.96 42.75 2kss s TYR 78 CO 0.00 -0.54 0.53 -1.00 0.64 0.00 0.00 175.55 175.18 2kss h PRO 79 N 2.57 -0.26 0.00 4.97 0.13 -1.91 -3.39 132.00 134.11 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 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2kss h PRO 79 CO 0.35 -0.00 -1.31 -3.47 -0.23 0.00 0.00 178.00 173.33 2kss n ASP 80 N -4.94 3.80 -4.26 1.44 -0.08 -1.26 -5.06 116.55 106.19 2kss n ASP 80 Ca -0.05 0.00 -0.20 0.00 -1.51 0.00 0.00 54.79 53.03 2kss n ASP 80 Cb 0.19 0.76 -0.10 0.00 2.34 0.00 0.00 41.12 44.31 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 1.81 -0.08 1.67 1.01 -1.26 -5.08 116.67 111.37 2kss s ASP 81 Ca -0.02 -1.46 -0.23 0.00 0.71 0.00 0.00 52.55 51.55 2kss s ASP 81 Cb 0.02 0.20 -0.19 0.00 1.01 0.00 0.00 42.92 43.96 2kss s ASP 81 CO 0.20 -0.76 0.86 1.55 0.21 0.00 0.00 175.17 177.23 2kss h PRO 82 N 2.19 -0.08 -6.14 8.23 0.13 -1.87 -3.37 132.00 131.08 2kss h PRO 82 Ca -0.37 0.01 -0.54 0.00 -0.87 0.00 0.00 66.00 64.22 2kss h PRO 82 Cb 1.25 0.02 -0.03 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 82 CO 0.61 0.50 -0.28 -1.17 -0.23 0.00 0.00 178.00 177.42 2kss s LEU 83 N -8.77 2.98 0.40 1.56 2.96 -1.26 -4.39 118.68 112.16 2kss s LEU 83 Ca -0.14 -1.02 -0.24 0.00 -0.22 0.00 0.00 54.13 52.51 2kss s LEU 83 Cb -0.00 -1.53 -0.09 0.00 0.50 0.00 0.00 46.19 45.07 2kss s LEU 83 CO 0.55 -1.02 1.06 0.27 -1.32 0.00 0.00 176.35 175.89 2kss s ILE 84 N -2.66 3.66 -0.01 6.68 -4.36 -1.26 -4.70 121.20 118.55 2kss s ILE 84 Ca 0.44 1.28 0.01 0.00 -0.26 0.00 0.00 60.65 62.12 2kss s ILE 84 Cb -0.03 -3.66 0.00 0.00 1.25 0.00 0.00 42.46 40.01 2kss s ILE 84 CO 0.27 0.01 -0.04 0.00 0.24 0.00 0.00 174.94 175.42 2kss s GLN 85 N -2.49 0.34 0.04 0.37 -2.07 -1.23 -2.20 119.66 112.42 2kss s GLN 85 Ca 0.58 -0.12 0.03 0.00 -1.82 0.00 0.00 55.36 54.02 2kss s GLN 85 Cb -0.23 -0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 31.31 2kss s GLN 85 CO 0.29 0.06 0.01 0.08 -1.32 0.00 0.00 175.29 174.41 2kss s VAL 86 N 0.04 4.16 -0.13 3.63 1.01 0.17 -1.72 120.40 127.56 2kss s VAL 86 Ca 0.00 -0.74 -0.01 0.00 0.00 0.00 0.00 61.98 61.23 2kss s VAL 86 Cb -0.03 -2.92 0.04 0.00 0.00 0.00 0.00 36.38 33.47 2kss s VAL 86 CO -0.00 0.26 -0.04 -0.22 0.00 0.00 0.00 175.10 175.10 2kss s LEU 87 N -1.90 1.18 0.33 3.92 0.20 -0.62 -1.66 118.68 120.14 2kss s LEU 87 Ca 0.23 -0.43 -0.14 0.00 0.69 0.00 0.00 54.13 54.48 2kss s LEU 87 Cb -0.12 -0.74 -0.08 0.00 -0.43 0.00 0.00 46.19 44.82 2kss s LEU 87 CO 0.14 -0.18 0.74 -0.69 -0.29 0.00 0.00 176.35 176.07 2kss s VAL 88 N 1.76 4.71 0.17 1.68 1.01 -1.00 -2.70 120.40 126.04 2kss s VAL 88 Ca 0.03 0.87 -0.31 0.00 0.00 0.00 0.00 61.98 62.57 2kss s VAL 88 Cb -0.14 -3.63 -0.09 0.00 0.00 0.00 0.00 36.38 32.52 2kss s VAL 88 CO -0.07 -0.24 1.36 -0.70 0.00 0.00 0.00 175.10 175.45 2kss s GLU 89 N -3.14 4.34 -1.30 2.72 2.12 -1.26 -2.05 118.70 120.13 2kss s GLU 89 Ca 0.53 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.97 2kss s GLU 89 Cb -0.10 -3.20 0.00 0.00 0.26 0.00 0.00 34.13 31.08 2kss s GLU 89 CO 0.20 -0.36 0.00 0.41 -0.54 0.00 0.00 175.26 174.98 2kss n GLY 90 N 2.83 1.24 0.00 -1.50 0.00 -1.26 -4.93 105.19 101.57 2kss n GLY 90 Ca 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 46.02 45.97 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 -1.40 0.00 0.00 0.99 4.32 -0.87 -5.18 117.00 114.87 2kss n LEU 91 Ca -0.12 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.87 2kss n LEU 91 Cb 0.52 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.32 2kss n LEU 91 CO 0.19 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.97 2kss n GLY 92 N 2.54 1.67 3.00 -0.72 0.00 -1.26 -4.70 105.19 105.73 2kss n GLY 92 Ca 0.00 -1.93 -0.11 0.00 0.00 0.00 0.00 46.02 43.98 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 3.02 0.27 0.16 1.61 -1.05 -1.26 -2.36 118.70 119.09 2kss s GLU 93 Ca 0.00 -0.25 -0.03 0.00 -0.15 0.00 0.00 54.97 54.54 2kss s GLU 93 Cb 0.00 0.11 -0.03 0.00 -0.44 0.00 0.00 34.13 33.77 2kss s GLU 93 CO 0.00 -0.05 0.15 0.34 0.95 0.00 0.00 175.26 176.65 2kss s ASP 94 N -0.80 0.19 -0.14 0.83 2.15 -0.66 -4.98 116.67 113.25 2kss s ASP 94 Ca -0.09 -1.17 -0.07 0.00 0.43 0.00 0.00 52.55 51.65 2kss s ASP 94 Cb -0.05 0.36 -0.04 0.00 -0.30 0.00 0.00 42.92 42.89 2kss s ASP 94 CO 0.00 -0.82 0.11 -0.76 -0.17 0.00 0.00 175.17 173.53 2kss s LEU 95 N -3.06 4.15 0.27 -1.34 2.01 -1.26 -0.66 118.68 118.79 2kss s LEU 95 Ca 0.27 0.32 0.02 0.00 0.01 0.00 0.00 54.13 54.74 2kss s LEU 95 Cb 0.06 -2.02 -0.05 0.00 0.01 0.00 0.00 46.19 44.19 2kss s LEU 95 CO 0.05 0.33 0.10 -0.36 1.01 0.00 0.00 176.35 177.47 2kss s PHE 96 N -0.56 1.59 0.30 0.29 0.08 -0.93 -4.83 117.98 113.92 2kss s PHE 96 Ca 0.12 -1.17 0.01 0.00 0.12 0.00 0.00 56.93 56.00 2kss s PHE 96 Cb -0.12 -0.94 -0.03 0.00 -0.57 0.00 0.00 43.02 41.36 2kss s PHE 96 CO 0.02 -0.31 0.49 -0.06 -0.10 0.00 0.00 175.22 175.26 2kss s PHE 97 N -3.69 3.49 -0.08 0.36 0.40 -1.26 -4.27 117.98 112.93 2kss s PHE 97 Ca 0.37 0.30 0.24 0.00 -0.60 0.00 0.00 56.93 57.24 2kss s PHE 97 Cb 0.08 -1.85 0.68 0.00 0.51 0.00 0.00 43.02 42.44 2kss s PHE 97 CO 0.14 0.22 1.72 -1.00 0.70 0.00 0.00 175.22 177.00 2kss h PRO 98 N 1.07 0.00 -0.09 0.24 0.13 -1.97 -2.77 132.00 128.60 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 0.18 0.00 -0.85 -0.23 0.00 0.00 178.00 177.73 2kss n GLU 99 N -3.23 2.33 -0.05 0.86 0.28 -1.26 -4.46 120.64 115.11 2kss n GLU 99 Ca 0.02 -1.94 -0.03 0.00 -0.16 0.00 0.00 57.16 55.05 2kss n GLU 99 Cb 0.49 -1.47 -0.01 0.00 1.43 0.00 0.00 31.44 31.88 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 4.54 0.00 -6.25 3.44 5.08 -1.89 -3.48 114.58 116.02 2kss h GLU 100 Ca 0.00 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.87 2kss h GLU 100 Cb 0.97 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 30.21 2kss h GLU 100 CO 0.00 0.00 -0.37 -0.48 -1.00 0.00 0.00 179.01 177.16 2kss s LEU 101 N -7.42 4.24 0.38 1.33 0.05 -1.17 -4.72 118.68 111.37 2kss s LEU 101 Ca -0.10 0.22 0.08 0.00 0.05 0.00 0.00 54.13 54.38 2kss s LEU 101 Cb 0.01 -3.02 -0.04 0.00 -2.05 0.00 0.00 46.19 41.09 2kss s LEU 101 CO 0.15 -0.10 0.18 -1.83 -0.55 0.00 0.00 176.35 174.20 2kss s GLU 102 N -3.84 2.32 0.08 1.48 -1.05 -1.25 -4.81 118.70 111.62 2kss s GLU 102 Ca 0.36 -1.67 -0.30 0.00 -0.15 0.00 0.00 54.97 53.21 2kss s GLU 102 Cb -0.10 -2.11 -0.05 0.00 -0.44 0.00 0.00 34.13 31.43 2kss s GLU 102 CO 0.30 -0.01 1.06 -1.17 0.95 0.00 0.00 175.26 176.39 2kss s LEU 103 N -3.90 4.42 0.65 1.83 2.96 -1.26 -3.08 118.68 120.31 2kss s LEU 103 Ca 0.40 1.87 -0.15 0.00 -0.22 0.00 0.00 54.13 56.03 2kss s LEU 103 Cb 0.00 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 43.10 2kss s LEU 103 CO 0.23 -0.27 1.12 0.00 -1.32 0.00 0.00 176.35 176.11 2kss s ALA 104 N 0.56 2.46 -0.07 5.97 0.00 -1.18 -4.89 121.76 124.62 2kss s ALA 104 Ca 0.52 0.61 -0.15 0.00 0.00 0.00 0.00 51.96 52.94 2kss s ALA 104 Cb -0.26 -3.34 -0.11 0.00 0.00 0.00 0.00 23.12 19.41 2kss s ALA 104 CO 0.30 -1.28 0.60 -1.00 0.00 0.00 0.00 175.76 174.37 2kss h PRO 105 N 0.12 -0.22 -0.02 0.00 0.13 -1.95 -3.49 132.00 126.58 2kss h PRO 105 Ca -0.47 0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.67 2kss h PRO 105 Cb 1.25 0.05 0.00 0.00 0.13 0.00 0.00 31.00 32.43 2kss h PRO 105 CO 0.54 0.10 0.00 0.39 -0.23 0.00 0.00 178.00 178.80