#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 -0.46 -0.20 3.17 1.10 -1.26 -5.14 121.20 118.41 2kss s ILE 22 Ca 0.00 0.00 -0.04 0.00 -0.51 0.00 0.00 60.65 60.10 2kss s ILE 22 Cb 0.00 -1.00 0.06 0.00 0.15 0.00 0.00 42.46 41.67 2kss s ILE 22 CO 0.00 0.00 0.06 -1.58 -2.11 0.00 0.00 174.94 171.31 2kss s GLN 23 N 2.22 0.43 0.27 3.50 0.74 -1.26 -5.13 119.66 120.44 2kss s GLN 23 Ca -0.08 -0.35 -0.29 0.00 0.05 0.00 0.00 55.36 54.69 2kss s GLN 23 Cb -0.08 -1.96 -0.09 0.00 1.10 0.00 0.00 33.01 31.97 2kss s GLN 23 CO -0.20 -0.69 1.17 -0.51 -0.55 0.00 0.00 175.29 174.52 2kss s ASP 24 N 1.95 7.11 -0.81 6.67 -0.00 -1.26 -4.93 116.67 125.40 2kss s ASP 24 Ca 0.01 2.36 -0.25 0.00 -0.00 0.00 0.00 52.55 54.67 2kss s ASP 24 Cb -0.17 -2.63 0.00 0.00 -0.00 0.00 0.00 42.92 40.13 2kss s ASP 24 CO -0.11 -0.29 1.62 -2.16 -0.00 0.00 0.00 175.17 174.23 2kss s PRO 25 N -1.21 2.99 0.19 8.23 0.04 -1.26 -4.85 135.00 139.14 2kss s PRO 25 Ca 0.48 -0.23 -0.14 0.00 0.04 0.00 0.00 61.00 61.15 2kss s PRO 25 Cb -0.34 -4.70 0.20 0.00 0.04 0.00 0.00 34.50 29.70 2kss s PRO 25 CO 0.43 -2.59 1.67 0.77 0.04 0.00 0.00 177.00 177.31 2kss h SER 26 N 11.58 -0.31 -0.36 6.66 0.02 -2.06 -3.40 113.55 125.67 2kss h SER 26 Ca -0.08 0.14 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 2kss h SER 26 Cb 1.06 0.26 -0.17 0.00 0.14 0.00 0.00 62.40 63.69 2kss h SER 26 CO 1.28 -0.11 -0.18 -0.22 -1.14 0.00 0.00 176.83 176.46 2kss s LEU 27 N -10.65 -0.55 0.14 5.07 0.20 -1.26 -5.15 118.68 106.48 2kss s LEU 27 Ca -0.14 -0.35 -0.26 0.00 0.69 0.00 0.00 54.13 54.07 2kss s LEU 27 Cb 0.17 0.71 -0.07 0.00 -0.43 0.00 0.00 46.19 46.56 2kss s LEU 27 CO 0.73 -0.05 0.81 0.27 -0.29 0.00 0.00 176.35 177.82 2kss s ILE 28 N 1.74 4.44 -0.02 6.68 -4.36 -1.26 -5.06 121.20 123.36 2kss s ILE 28 Ca 0.17 1.77 0.02 0.00 -0.26 0.00 0.00 60.65 62.35 2kss s ILE 28 Cb 0.04 -4.18 0.00 0.00 1.25 0.00 0.00 42.46 39.57 2kss s ILE 28 CO -0.13 0.46 -0.08 0.27 0.24 0.00 0.00 174.94 175.70 2kss s ILE 29 N -0.75 0.67 -0.19 8.37 -5.25 -1.26 -5.13 121.20 117.66 2kss s ILE 29 Ca 0.38 -0.31 -0.01 0.00 -0.99 0.00 0.00 60.65 59.72 2kss s ILE 29 Cb -0.23 -0.60 0.00 0.00 2.95 0.00 0.00 42.46 44.59 2kss s ILE 29 CO 0.26 0.21 -0.12 0.00 -1.79 0.00 0.00 174.94 173.51 2kss n HIS 31 N 4.60 -3.90 -1.95 0.00 8.25 -1.26 -4.92 115.22 116.04 2kss n HIS 31 Ca -0.19 -0.96 -0.42 0.00 -0.26 0.00 0.00 57.72 55.89 2kss n HIS 31 Cb 0.51 -1.18 -0.02 0.00 1.12 0.00 0.00 29.99 30.41 2kss n HIS 31 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 2kss s ASP 32 N -4.17 6.59 -0.11 0.41 -1.08 -1.26 -5.00 116.67 112.06 2kss s ASP 32 Ca 0.71 2.71 -0.00 0.00 -0.52 0.00 0.00 52.55 55.45 2kss s ASP 32 Cb -0.08 -2.62 -0.02 0.00 -1.46 0.00 0.00 42.92 38.73 2kss s ASP 32 CO 0.56 -0.77 -0.08 -0.69 0.52 0.00 0.00 175.17 174.71 2kss s VAL 33 N 0.23 3.54 0.47 1.11 1.01 -1.26 -5.08 120.40 120.41 2kss s VAL 33 Ca 0.62 -0.51 -0.23 0.00 0.00 0.00 0.00 61.98 61.86 2kss s VAL 33 Cb -0.43 -2.48 -0.08 0.00 0.00 0.00 0.00 36.38 33.38 2kss s VAL 33 CO 0.42 0.55 1.15 -0.90 0.00 0.00 0.00 175.10 176.32 2kss n ASP 34 N 2.92 1.87 0.00 3.32 5.75 -1.26 -2.94 116.55 126.20 2kss n ASP 34 Ca -0.18 1.01 0.00 0.00 -0.01 0.00 0.00 54.79 55.62 2kss n ASP 34 Cb 0.53 -1.45 0.00 0.00 -1.03 0.00 0.00 41.12 39.17 2kss n ASP 34 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kss n GLY 35 N 1.00 3.20 3.07 6.12 0.00 -1.26 -5.07 105.19 112.24 2kss n GLY 35 Ca 0.09 -0.95 -0.36 0.00 0.00 0.00 0.00 46.02 44.80 2kss n GLY 35 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kss n ALA 36 N 0.00 -4.92 0.02 4.61 0.00 -1.15 -4.91 120.51 114.16 2kss n ALA 36 Ca 0.00 -0.60 -0.10 0.00 0.00 0.00 0.00 53.44 52.74 2kss n ALA 36 Cb 0.00 -1.24 -0.07 0.00 0.00 0.00 0.00 19.45 18.14 2kss n ALA 36 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 2kss h PRO 37 N -0.92 -0.16 -4.98 0.00 0.13 -1.93 -3.48 132.00 120.66 2kss h PRO 37 Ca -0.44 0.01 -0.51 0.00 -0.87 0.00 0.00 66.00 64.19 2kss h PRO 37 Cb 1.32 0.04 -0.13 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 37 CO 0.26 0.29 -0.52 0.14 -0.23 0.00 0.00 178.00 177.94 2kss s VAL 38 N -2.93 0.43 0.56 1.56 -7.23 -1.26 -5.05 120.40 106.47 2kss s VAL 38 Ca -0.11 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 2kss s VAL 38 Cb -0.00 -2.42 0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kss s VAL 38 CO 0.43 0.00 0.78 -0.60 -0.31 0.00 0.00 175.10 175.39 2kss s ARG 39 N -3.68 2.48 0.29 4.82 3.52 -1.26 -4.98 118.95 120.14 2kss s ARG 39 Ca 0.30 -0.88 -0.28 0.00 -0.13 0.00 0.00 55.73 54.73 2kss s ARG 39 Cb 0.03 -2.50 -0.09 0.00 -1.56 0.00 0.00 34.95 30.82 2kss s ARG 39 CO 0.18 -0.75 1.02 0.42 -0.81 0.00 0.00 175.30 175.36 2kss s ILE 40 N -2.76 3.81 -0.07 4.11 -1.09 -1.26 -2.91 121.20 121.04 2kss s ILE 40 Ca 0.58 1.70 0.00 0.00 -2.23 0.00 0.00 60.65 60.70 2kss s ILE 40 Cb -0.10 -4.04 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 2kss s ILE 40 CO 0.38 0.32 0.00 0.61 -1.23 0.00 0.00 174.94 175.02 2kss n GLY 41 N 1.06 0.33 3.76 6.18 0.00 -1.22 -4.97 105.19 110.34 2kss n GLY 41 Ca -0.00 -0.04 -0.39 0.00 0.00 0.00 0.00 46.02 45.59 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 -1.61 3.30 -0.37 4.61 0.00 -1.14 -4.83 121.76 121.72 2kss s ALA 42 Ca 0.00 0.77 -0.17 0.00 0.00 0.00 0.00 51.96 52.56 2kss s ALA 42 Cb 0.00 -3.28 0.00 0.00 0.00 0.00 0.00 23.12 19.84 2kss s ALA 42 CO 0.00 -0.08 0.47 0.15 0.00 0.00 0.00 175.76 176.30 2kss s LYS 43 N -1.71 3.48 0.44 0.00 1.02 -1.26 -2.49 119.74 119.22 2kss s LYS 43 Ca 0.48 -0.36 0.06 0.00 0.02 0.00 0.00 55.97 56.17 2kss s LYS 43 Cb -0.27 -3.85 -0.04 0.00 -0.52 0.00 0.00 37.83 33.14 2kss s LYS 43 CO 0.35 -0.68 0.14 0.14 -0.92 0.00 0.00 175.35 174.38 2kss s VAL 44 N 2.27 2.03 -0.18 3.17 -7.23 -0.67 -3.64 120.40 116.15 2kss s VAL 44 Ca 0.16 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.55 2kss s VAL 44 Cb -0.16 -2.81 0.04 0.00 0.56 0.00 0.00 36.38 34.01 2kss s VAL 44 CO 0.13 0.00 -0.10 -0.75 -0.31 0.00 0.00 175.10 174.08 2kss s LYS 45 N -3.89 1.92 0.04 4.82 2.20 -1.12 -2.62 119.74 121.08 2kss s LYS 45 Ca 0.34 -0.70 -0.30 0.00 -0.36 0.00 0.00 55.97 54.95 2kss s LYS 45 Cb 0.04 -2.24 -0.07 0.00 -1.51 0.00 0.00 37.83 34.05 2kss s LYS 45 CO 0.19 -0.39 1.55 0.14 -0.36 0.00 0.00 175.35 176.48 2kss s VAL 46 N 1.48 3.30 0.20 4.02 -7.23 -0.89 -3.65 120.40 117.63 2kss s VAL 46 Ca 0.00 0.73 -0.32 0.00 -1.81 0.00 0.00 61.98 60.58 2kss s VAL 46 Cb -0.15 -3.47 -0.12 0.00 0.56 0.00 0.00 36.38 33.19 2kss s VAL 46 CO -0.09 -0.00 1.71 0.55 -0.31 0.00 0.00 175.10 176.96 2kss n VAL 47 N 4.69 0.00 -0.03 1.32 3.14 -1.26 -3.49 118.33 122.71 2kss n VAL 47 Ca 0.15 -0.00 -0.15 0.00 -2.96 0.00 0.00 64.34 61.38 2kss n VAL 47 Cb 0.42 -1.92 -0.11 0.00 -1.06 0.00 0.00 33.84 31.17 2kss n VAL 47 CO 0.00 0.00 0.00 1.55 -6.46 0.00 0.00 176.83 171.92 2kss h PRO 48 N 6.67 0.19 -6.81 1.45 0.13 -1.89 -3.39 132.00 128.36 2kss h PRO 48 Ca -0.43 -0.19 -0.57 0.00 -0.87 0.00 0.00 66.00 63.94 2kss h PRO 48 Cb 1.21 0.05 0.17 0.00 0.13 0.00 0.00 31.00 32.55 2kss h PRO 48 CO 0.95 0.89 0.06 1.58 -0.23 0.00 0.00 178.00 181.25 2kss n HIS 49 N -4.51 0.62 -3.84 1.56 -0.00 -1.26 -4.61 115.22 103.18 2kss n HIS 49 Ca -0.09 0.43 -0.35 0.00 0.46 0.00 0.00 57.72 58.17 2kss n HIS 49 Cb 0.49 -2.11 -0.12 0.00 -0.12 0.00 0.00 29.99 28.12 2kss n HIS 49 CO 0.00 0.00 0.00 0.45 0.46 0.00 0.00 176.34 177.25 2kss s SER 50 N -1.28 5.09 -0.10 0.26 0.15 -1.26 -4.86 113.70 111.70 2kss s SER 50 Ca 0.76 -2.19 0.00 0.00 0.70 0.00 0.00 55.95 55.22 2kss s SER 50 Cb -0.41 -1.77 -0.07 0.00 -1.71 0.00 0.00 66.02 62.06 2kss s SER 50 CO 0.47 -0.47 -0.09 1.21 1.20 0.00 0.00 173.24 175.56 2kss n GLU 51 N 4.33 0.26 -0.88 5.44 2.13 -1.26 -5.04 120.64 125.62 2kss n GLU 51 Ca 0.01 0.06 -0.15 0.00 0.66 0.00 0.00 57.16 57.73 2kss n GLU 51 Cb 0.41 -1.19 0.11 0.00 0.27 0.00 0.00 31.44 31.04 2kss n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 2kss n ASP 52 N -2.83 -0.33 0.00 4.31 9.92 -1.26 -5.05 116.55 121.31 2kss n ASP 52 Ca -0.18 -1.15 0.00 0.00 -0.53 0.00 0.00 54.79 52.92 2kss n ASP 52 Cb 0.69 -0.53 0.00 0.00 -0.64 0.00 0.00 41.12 40.65 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2kss n GLY 53 N 0.08 -0.23 3.72 0.44 0.00 -1.26 -4.80 105.19 103.15 2kss n GLY 53 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 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 -0.78 3.83 0.10 2.61 -1.32 -1.26 -5.02 115.64 113.80 2kss s THR 54 Ca 0.00 1.41 -0.17 0.00 -1.21 0.00 0.00 61.69 61.72 2kss s THR 54 Cb 0.00 -3.90 0.04 0.00 -1.51 0.00 0.00 72.50 67.12 2kss s THR 54 CO 0.00 0.16 0.40 -0.63 -2.21 0.00 0.00 174.62 172.35 2kss s ILE 55 N 0.54 0.07 -0.25 5.08 -1.09 -1.26 -4.98 121.20 119.31 2kss s ILE 55 Ca 0.56 -0.54 -0.08 0.00 -2.23 0.00 0.00 60.65 58.35 2kss s ILE 55 Cb -0.31 -1.11 -0.04 0.00 -1.58 0.00 0.00 42.46 39.43 2kss s ILE 55 CO 0.32 -0.30 0.10 -0.44 -1.23 0.00 0.00 174.94 173.39 2kss s SER 56 N -2.57 5.41 0.08 3.58 0.01 -1.26 -4.96 113.70 113.99 2kss s SER 56 Ca 0.01 -0.12 0.11 0.00 1.31 0.00 0.00 55.95 57.26 2kss s SER 56 Cb 0.01 -1.97 -0.17 0.00 0.21 0.00 0.00 66.02 64.10 2kss s SER 56 CO -0.09 -0.01 1.05 -0.61 0.41 0.00 0.00 173.24 173.99 2kss h GLN 57 N 8.03 0.00 0.00 12.44 4.15 -1.98 -3.11 115.11 134.63 2kss h GLN 57 Ca -0.37 0.00 -0.12 0.00 0.77 0.00 0.00 58.65 58.93 2kss h GLN 57 Cb 1.18 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.85 2kss h GLN 57 CO 0.59 0.68 -0.58 -0.09 -1.93 0.00 0.00 178.83 177.49 2kss h ARG 58 N 0.00 0.00 -0.63 1.69 2.43 -2.02 -3.00 114.38 112.85 2kss h ARG 58 Ca -0.12 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.05 2kss h ARG 58 Cb 1.77 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 31.32 2kss h ARG 58 CO 0.09 0.58 0.00 1.19 -1.51 0.00 0.00 179.97 180.33 2kss n PHE 59 N -3.41 1.77 -1.52 2.20 3.72 -1.24 -4.92 117.46 114.05 2kss n PHE 59 Ca 0.00 -0.65 -0.30 0.00 -0.05 0.00 0.00 57.45 56.46 2kss n PHE 59 Cb 0.69 -0.38 -0.15 0.00 -0.94 0.00 0.00 39.48 38.71 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 0.85 0.20 -2.11 4.37 0.00 -1.14 0.11 117.00 119.29 2kss n LEU 60 Ca 0.26 -0.40 -0.09 0.00 0.00 0.00 0.00 56.01 55.79 2kss n LEU 60 Cb 1.03 -0.99 0.04 0.00 0.00 0.00 0.00 43.42 43.51 2kss n LEU 60 CO 0.28 -1.35 0.06 0.61 0.00 0.00 0.00 177.39 176.99 2kss n GLY 61 N 6.13 0.10 2.45 -3.96 0.00 -1.24 -4.86 105.19 103.81 2kss n GLY 61 Ca 0.60 -0.21 -0.13 0.00 0.00 0.00 0.00 46.02 46.28 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 -2.51 0.61 -3.68 1.61 -0.06 0.31 -4.94 117.38 108.72 2kss n GLN 62 Ca -0.11 -1.90 -0.13 0.00 -2.00 0.00 0.00 57.00 52.86 2kss n GLN 62 Cb 0.57 -0.21 -0.13 0.00 -4.06 0.00 0.00 30.24 26.41 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 -1.40 -0.32 0.13 1.69 2.01 -1.26 -2.09 115.64 114.40 2kss s THR 63 Ca 0.39 0.23 0.01 0.00 0.31 0.00 0.00 61.69 62.64 2kss s THR 63 Cb -0.03 -0.45 -0.00 0.00 0.01 0.00 0.00 72.50 72.03 2kss s THR 63 CO 0.25 0.10 0.15 0.61 -0.69 0.00 0.00 174.62 175.04 2kss n GLY 64 N 5.04 3.16 3.59 4.40 0.00 -1.08 -4.27 105.19 116.03 2kss n GLY 64 Ca -0.12 -1.61 -0.27 0.00 0.00 0.00 0.00 46.02 44.03 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 -2.55 3.31 -0.57 -0.61 1.01 -1.06 -1.68 121.20 119.06 2kss s ILE 65 Ca 0.13 -1.62 -0.26 0.00 0.00 0.00 0.00 60.65 58.91 2kss s ILE 65 Cb 0.00 -2.65 0.04 0.00 0.01 0.00 0.00 42.46 39.86 2kss s ILE 65 CO 0.10 -0.12 1.04 -0.69 0.00 0.00 0.00 174.94 175.26 2kss s VAL 66 N -1.73 4.24 0.14 2.92 1.01 -1.04 -2.13 120.40 123.81 2kss s VAL 66 Ca 0.26 0.48 -0.05 0.00 0.00 0.00 0.00 61.98 62.67 2kss s VAL 66 Cb -0.09 -4.62 -0.16 0.00 0.00 0.00 0.00 36.38 31.52 2kss s VAL 66 CO 0.16 -1.22 1.34 0.58 0.00 0.00 0.00 175.10 175.96 2kss h VAL 67 N 6.07 1.37 -4.00 2.92 2.07 -1.60 -3.22 116.25 119.86 2kss h VAL 67 Ca -0.26 -2.28 -0.48 0.00 0.82 0.00 0.00 66.70 64.50 2kss h VAL 67 Cb 1.07 2.26 -0.23 0.00 -1.52 0.00 0.00 31.29 32.87 2kss h VAL 67 CO 1.13 0.69 -0.80 -0.83 0.02 0.00 0.00 177.57 177.77 2kss s GLY 68 N -4.34 0.97 0.31 2.17 0.00 -1.26 -4.95 107.32 100.23 2kss s GLY 68 Ca -0.06 -1.01 0.09 0.00 0.00 0.00 0.00 44.72 43.73 2kss s GLY 68 CO 0.86 -1.01 0.04 -2.27 0.00 0.00 0.00 173.10 170.73 2kss s LEU 69 N -1.52 3.13 -0.51 0.66 0.20 -1.26 -3.25 118.68 116.14 2kss s LEU 69 Ca 0.02 -0.81 -0.18 0.00 0.69 0.00 0.00 54.13 53.86 2kss s LEU 69 Cb -0.09 -1.59 0.07 0.00 -0.43 0.00 0.00 46.19 44.14 2kss s LEU 69 CO 0.02 -0.17 0.57 0.68 -0.29 0.00 0.00 176.35 177.16 2kss s VAL 70 N -2.42 4.98 0.24 1.68 -7.23 -1.26 -4.45 120.40 111.94 2kss s VAL 70 Ca 0.35 -0.74 0.01 0.00 -1.81 0.00 0.00 61.98 59.79 2kss s VAL 70 Cb -0.03 -4.27 -0.05 0.00 0.56 0.00 0.00 36.38 32.59 2kss s VAL 70 CO 0.21 -0.78 0.08 -0.36 -0.31 0.00 0.00 175.10 173.94 2kss s PHE 71 N 2.33 1.47 -0.65 2.82 0.08 -1.26 -4.70 117.98 118.07 2kss s PHE 71 Ca 0.11 -1.17 -0.38 0.00 0.12 0.00 0.00 56.93 55.62 2kss s PHE 71 Cb -0.21 -0.85 -0.18 0.00 -0.57 0.00 0.00 43.02 41.20 2kss s PHE 71 CO 0.10 -0.34 2.35 -3.47 -0.10 0.00 0.00 175.22 173.76 2kss n ASP 72 N -0.42 0.85 -4.63 1.36 -0.08 -1.26 -4.81 116.55 107.56 2kss n ASP 72 Ca -0.01 0.42 -0.43 0.00 -1.51 0.00 0.00 54.79 53.26 2kss n ASP 72 Cb 0.66 -0.99 -0.02 0.00 2.34 0.00 0.00 41.12 43.11 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 0.12 0.00 0.00 177.20 175.51 2kss s ASP 73 N 7.48 6.83 0.42 1.67 1.01 -1.26 -4.70 116.67 128.12 2kss s ASP 73 Ca 1.23 0.96 0.00 0.00 0.71 0.00 0.00 52.55 55.45 2kss s ASP 73 Cb -1.27 -2.54 0.00 0.00 1.01 0.00 0.00 42.92 40.11 2kss s ASP 73 CO 0.56 -0.98 0.00 -0.81 0.21 0.00 0.00 175.17 174.15 2kss n PRO 74 N 7.13 0.37 0.00 8.23 -0.04 -1.26 -4.78 135.00 144.64 2kss n PRO 74 Ca 0.12 0.00 0.14 0.00 -0.04 0.00 0.00 63.50 63.72 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 -0.37 0.55 0.00 -1.26 -2.51 120.51 116.35 2kss n ALA 75 Ca 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.29 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 -1.15 0.61 -1.52 0.00 5.66 -1.26 -5.12 114.28 111.49 2kss n THR 76 Ca 0.17 -0.62 0.06 0.00 -3.05 0.00 0.00 64.05 60.60 2kss n THR 76 Cb 0.16 0.71 -0.03 0.00 -1.55 0.00 0.00 70.33 69.62 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 -3.84 -3.51 1.09 6.02 -1.04 -5.04 117.38 110.75 2kss n GLN 77 Ca 0.00 3.03 -0.12 0.00 -0.01 0.00 0.00 57.00 59.90 2kss n GLN 77 Cb 0.33 -3.94 -0.04 0.00 1.02 0.00 0.00 30.24 27.61 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 -5.05 -0.48 -0.06 1.08 6.14 -1.26 -4.65 117.35 113.06 2kss s TYR 78 Ca 0.00 0.61 -0.11 0.00 0.64 0.00 0.00 57.07 58.21 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 -0.57 0.43 -1.00 0.64 0.00 0.00 175.55 175.06 2kss h PRO 79 N 2.44 -0.31 0.00 4.97 0.13 -1.92 -3.41 132.00 133.89 2kss h PRO 79 Ca -0.25 0.02 -0.03 0.00 -0.87 0.00 0.00 66.00 64.88 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 0.35 -0.17 -1.12 -3.47 -0.23 0.00 0.00 178.00 173.36 2kss n ASP 80 N -4.99 4.56 -4.37 1.44 4.64 -1.26 -5.05 116.55 111.52 2kss n ASP 80 Ca -0.05 0.00 -0.23 0.00 -1.38 0.00 0.00 54.79 53.14 2kss n ASP 80 Cb 0.15 0.62 -0.11 0.00 -1.04 0.00 0.00 41.12 40.74 2kss n ASP 80 CO 0.00 0.00 0.00 1.51 -0.82 0.00 0.00 177.20 177.89 2kss s ASP 81 N -3.08 2.96 -0.01 1.67 1.47 -1.26 -5.06 116.67 113.35 2kss s ASP 81 Ca -0.01 -0.90 -0.22 0.00 1.18 0.00 0.00 52.55 52.60 2kss s ASP 81 Cb 0.01 -0.20 -0.22 0.00 -0.34 0.00 0.00 42.92 42.17 2kss s ASP 81 CO 0.07 -0.00 1.10 1.55 0.68 0.00 0.00 175.17 178.57 2kss h PRO 82 N 3.04 0.30 -5.88 2.11 0.13 -1.89 -3.40 132.00 126.40 2kss h PRO 82 Ca -0.42 -0.29 -0.58 0.00 -0.87 0.00 0.00 66.00 63.84 2kss h PRO 82 Cb 1.22 0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 82 CO 0.53 0.97 -0.39 -1.17 -0.23 0.00 0.00 178.00 177.71 2kss s LEU 83 N -8.53 2.87 0.37 1.56 2.96 -1.26 -4.60 118.68 112.06 2kss s LEU 83 Ca -0.15 -1.17 -0.25 0.00 -0.22 0.00 0.00 54.13 52.34 2kss s LEU 83 Cb 0.03 -1.34 -0.09 0.00 0.50 0.00 0.00 46.19 45.29 2kss s LEU 83 CO 0.78 -0.86 1.05 0.27 -1.32 0.00 0.00 176.35 176.26 2kss s ILE 84 N -2.69 3.71 -0.02 6.68 -4.36 -1.26 -4.57 121.20 118.69 2kss s ILE 84 Ca 0.35 1.39 0.02 0.00 -0.26 0.00 0.00 60.65 62.15 2kss s ILE 84 Cb -0.00 -3.76 0.00 0.00 1.25 0.00 0.00 42.46 39.96 2kss s ILE 84 CO 0.21 0.08 -0.08 0.00 0.24 0.00 0.00 174.94 175.39 2kss s GLN 85 N -2.27 0.83 -0.19 0.37 -2.07 -1.20 -2.40 119.66 112.72 2kss s GLN 85 Ca 0.55 -0.26 -0.02 0.00 -1.82 0.00 0.00 55.36 53.80 2kss s GLN 85 Cb -0.24 -0.79 -0.01 0.00 -1.09 0.00 0.00 33.01 30.89 2kss s GLN 85 CO 0.30 0.10 -0.08 0.08 -1.32 0.00 0.00 175.29 174.37 2kss s VAL 86 N 0.18 3.16 -0.20 3.63 1.01 0.04 -1.40 120.40 126.83 2kss s VAL 86 Ca -0.03 -0.58 -0.05 0.00 0.00 0.00 0.00 61.98 61.33 2kss s VAL 86 Cb -0.08 -2.41 -0.02 0.00 0.00 0.00 0.00 36.38 33.87 2kss s VAL 86 CO 0.00 0.46 0.00 -0.22 0.00 0.00 0.00 175.10 175.35 2kss s LEU 87 N 1.19 3.28 0.30 3.92 0.20 -0.90 -2.34 118.68 124.32 2kss s LEU 87 Ca 0.02 -0.19 -0.12 0.00 0.69 0.00 0.00 54.13 54.53 2kss s LEU 87 Cb -0.14 -1.83 -0.08 0.00 -0.43 0.00 0.00 46.19 43.71 2kss s LEU 87 CO -0.03 0.07 0.66 -0.69 -0.29 0.00 0.00 176.35 176.07 2kss s VAL 88 N 0.99 4.81 0.11 1.68 1.01 -0.81 -2.56 120.40 125.62 2kss s VAL 88 Ca 0.02 0.67 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 2kss s VAL 88 Cb -0.14 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.53 2kss s VAL 88 CO 0.02 -0.20 1.33 -0.70 0.00 0.00 0.00 175.10 175.54 2kss s GLU 89 N -3.09 4.36 0.00 2.72 2.12 -1.26 -2.05 118.70 121.49 2kss s GLU 89 Ca 0.51 1.99 0.00 0.00 0.36 0.00 0.00 54.97 57.83 2kss s GLU 89 Cb -0.11 -3.27 0.00 0.00 0.26 0.00 0.00 34.13 31.01 2kss s GLU 89 CO 0.22 -0.37 0.00 0.41 -0.54 0.00 0.00 175.26 174.97 2kss n GLY 90 N 3.35 0.35 0.00 -1.50 0.00 -1.26 -4.94 105.19 101.19 2kss n GLY 90 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.12 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 -0.87 -5.17 117.00 116.27 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 0.15 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.95 2kss n LEU 91 CO 0.00 0.00 0.00 0.61 -1.22 0.00 0.00 177.39 176.78 2kss n GLY 92 N 4.17 1.19 2.99 -0.72 0.00 -1.26 -4.61 105.19 106.95 2kss n GLY 92 Ca 0.00 -1.81 -0.09 0.00 0.00 0.00 0.00 46.02 44.12 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 2.13 0.33 0.18 1.61 -1.05 -1.26 -1.92 118.70 118.71 2kss s GLU 93 Ca 0.00 -0.63 -0.07 0.00 -0.15 0.00 0.00 54.97 54.12 2kss s GLU 93 Cb 0.00 0.08 -0.02 0.00 -0.44 0.00 0.00 34.13 33.75 2kss s GLU 93 CO 0.00 -0.04 0.26 0.34 0.95 0.00 0.00 175.26 176.77 2kss s ASP 94 N -1.48 0.07 -0.19 0.83 -1.08 -0.99 -4.99 116.67 108.84 2kss s ASP 94 Ca -0.15 -1.03 -0.09 0.00 -0.52 0.00 0.00 52.55 50.76 2kss s ASP 94 Cb -0.10 0.43 -0.05 0.00 -1.46 0.00 0.00 42.92 41.75 2kss s ASP 94 CO -0.01 -0.91 0.11 -0.76 0.52 0.00 0.00 175.17 174.12 2kss s LEU 95 N -3.02 4.10 0.25 -1.34 2.01 -1.26 -0.78 118.68 118.63 2kss s LEU 95 Ca 0.23 0.20 0.07 0.00 0.01 0.00 0.00 54.13 54.64 2kss s LEU 95 Cb 0.04 -2.05 -0.05 0.00 0.01 0.00 0.00 46.19 44.14 2kss s LEU 95 CO 0.04 0.19 -0.10 -0.36 1.01 0.00 0.00 176.35 177.14 2kss s PHE 96 N 0.28 1.89 0.43 0.29 0.40 -1.01 -4.96 117.98 115.30 2kss s PHE 96 Ca 0.07 -0.63 -0.04 0.00 -0.60 0.00 0.00 56.93 55.73 2kss s PHE 96 Cb -0.11 -1.00 -0.04 0.00 0.51 0.00 0.00 43.02 42.38 2kss s PHE 96 CO -0.01 0.34 0.71 -0.06 0.70 0.00 0.00 175.22 176.90 2kss s PHE 97 N -2.96 3.54 -0.14 0.36 0.40 -1.26 -4.34 117.98 113.57 2kss s PHE 97 Ca 0.27 0.70 0.27 0.00 -0.60 0.00 0.00 56.93 57.57 2kss s PHE 97 Cb 0.02 -2.19 0.81 0.00 0.51 0.00 0.00 43.02 42.17 2kss s PHE 97 CO 0.10 -0.14 1.78 -1.00 0.70 0.00 0.00 175.22 176.66 2kss h PRO 98 N 0.49 0.00 -0.02 0.24 0.13 -1.98 -2.77 132.00 128.10 2kss h PRO 98 Ca -0.48 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.65 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 0.62 0.05 -0.48 -0.85 -0.23 0.00 0.00 178.00 177.11 2kss n GLU 99 N -3.13 1.18 -0.05 0.86 -0.00 -1.26 -4.47 120.64 113.77 2kss n GLU 99 Ca 0.02 -0.97 -0.01 0.00 -0.00 0.00 0.00 57.16 56.20 2kss n GLU 99 Cb 0.44 -1.48 -0.00 0.00 -0.00 0.00 0.00 31.44 30.39 2kss n GLU 99 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.13 178.06 2kss h GLU 100 N 2.36 0.00 -6.62 3.44 4.39 -1.88 -3.48 114.58 112.79 2kss h GLU 100 Ca 0.00 0.00 -0.43 0.00 0.34 0.00 0.00 59.36 59.27 2kss h GLU 100 Cb 0.75 0.00 0.03 0.00 -0.10 0.00 0.00 28.75 29.43 2kss h GLU 100 CO 0.00 0.00 -0.15 -0.48 -1.16 0.00 0.00 179.01 177.22 2kss s LEU 101 N -7.83 3.47 0.21 1.33 0.05 -1.16 -4.47 118.68 110.28 2kss s LEU 101 Ca -0.05 -0.27 0.01 0.00 0.05 0.00 0.00 54.13 53.87 2kss s LEU 101 Cb 0.01 -2.69 -0.05 0.00 -2.05 0.00 0.00 46.19 41.41 2kss s LEU 101 CO 0.07 -0.96 0.06 -1.83 -0.55 0.00 0.00 176.35 173.14 2kss s GLU 102 N -4.55 1.22 0.07 1.48 -1.05 -1.24 -4.82 118.70 109.81 2kss s GLU 102 Ca 0.56 -1.63 -0.30 0.00 -0.15 0.00 0.00 54.97 53.46 2kss s GLU 102 Cb -0.10 -0.13 -0.05 0.00 -0.44 0.00 0.00 34.13 33.41 2kss s GLU 102 CO 0.36 -0.25 1.06 -1.17 0.95 0.00 0.00 175.26 176.21 2kss s LEU 103 N -3.21 4.41 0.67 1.83 2.96 -1.26 -2.81 118.68 121.27 2kss s LEU 103 Ca 0.32 1.86 -0.17 0.00 -0.22 0.00 0.00 54.13 55.92 2kss s LEU 103 Cb 0.07 -3.58 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 2kss s LEU 103 CO 0.09 -0.28 0.55 0.00 -1.32 0.00 0.00 176.35 175.39 2kss n ALA 104 N 3.44 -1.31 0.02 5.97 0.00 -1.24 -4.93 120.51 122.46 2kss n ALA 104 Ca 0.06 -0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.23 2kss n ALA 104 Cb 0.49 -1.86 -0.08 0.00 0.00 0.00 0.00 19.45 18.00 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 -0.14 -0.14 0.00 0.00 0.13 -1.94 -3.51 132.00 126.40 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 1.37 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.53 2kss h PRO 105 CO 0.44 0.33 0.00 0.39 -0.23 0.00 0.00 178.00 178.93