#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 4.18 0.53 2.02 1.10 -1.26 -5.05 121.20 122.72 2kss s ILE 22 Ca 0.00 2.03 0.05 0.00 -0.51 0.00 0.00 60.65 62.22 2kss s ILE 22 Cb 0.00 -4.29 0.05 0.00 0.15 0.00 0.00 42.46 38.37 2kss s ILE 22 CO 0.00 0.42 0.74 -1.58 -2.11 0.00 0.00 174.94 172.41 2kss s GLN 23 N -0.74 2.47 0.44 3.50 2.00 -1.26 -5.06 119.66 121.02 2kss s GLN 23 Ca 0.44 -1.17 -0.25 0.00 -2.00 0.00 0.00 55.36 52.37 2kss s GLN 23 Cb -0.26 -2.59 -0.08 0.00 0.80 0.00 0.00 33.01 30.88 2kss s GLN 23 CO 0.32 -0.70 1.40 0.16 -0.50 0.00 0.00 175.29 175.97 2kss s ASP 24 N -4.49 5.95 0.00 6.67 -4.77 -1.26 -4.87 116.67 113.90 2kss s ASP 24 Ca 0.59 2.86 0.23 0.00 -3.30 0.00 0.00 52.55 52.93 2kss s ASP 24 Cb -0.09 -2.65 1.24 0.00 -1.09 0.00 0.00 42.92 40.33 2kss s ASP 24 CO 0.37 -1.12 1.76 -0.81 0.70 0.00 0.00 175.17 176.07 2kss n PRO 25 N -0.15 0.46 -0.32 2.11 -0.04 -1.26 -3.82 135.00 131.99 2kss n PRO 25 Ca 0.05 0.05 0.19 0.00 -0.04 0.00 0.00 63.50 63.75 2kss n PRO 25 Cb 0.42 -1.50 0.37 0.00 -0.04 0.00 0.00 33.50 32.75 2kss n PRO 25 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2kss n SER 26 N -1.19 0.04 -0.39 3.54 2.88 -1.26 0.55 113.62 117.79 2kss n SER 26 Ca 0.13 1.58 -0.06 0.00 -1.33 0.00 0.00 58.87 59.19 2kss n SER 26 Cb 0.15 -0.64 -0.03 0.00 -0.75 0.00 0.00 64.21 62.93 2kss n SER 26 CO 0.00 0.00 0.00 -0.11 -1.23 0.00 0.00 175.04 173.70 2kss n LEU 27 N -5.30 -0.84 -4.92 2.46 0.00 -1.25 -4.31 117.00 102.85 2kss n LEU 27 Ca 0.27 1.69 -0.30 0.00 0.00 0.00 0.00 56.01 57.66 2kss n LEU 27 Cb 0.89 -0.29 -0.04 0.00 0.00 0.00 0.00 43.42 43.97 2kss n LEU 27 CO -0.04 -1.44 -0.11 0.27 0.00 0.00 0.00 177.39 176.07 2kss s ILE 28 N -5.67 5.34 0.01 1.96 -4.36 0.19 -5.11 121.20 113.57 2kss s ILE 28 Ca -0.12 -0.36 0.07 0.00 -0.26 0.00 0.00 60.65 59.97 2kss s ILE 28 Cb 0.15 -3.65 -0.03 0.00 1.25 0.00 0.00 42.46 40.18 2kss s ILE 28 CO 0.63 0.09 -0.19 -0.63 0.24 0.00 0.00 174.94 175.08 2kss s ILE 29 N -1.57 2.65 0.08 8.37 -1.09 -1.26 -4.86 121.20 123.52 2kss s ILE 29 Ca 0.36 -1.09 0.06 0.00 -2.23 0.00 0.00 60.65 57.75 2kss s ILE 29 Cb -0.13 -2.06 -0.04 0.00 -1.58 0.00 0.00 42.46 38.66 2kss s ILE 29 CO 0.28 0.44 -0.08 0.00 -1.23 0.00 0.00 174.94 174.34 2kss s HIS 31 N -1.17 1.78 0.81 0.00 3.76 -1.26 -5.14 115.29 114.07 2kss s HIS 31 Ca 0.21 -1.41 -0.11 0.00 -0.15 0.00 0.00 55.06 53.60 2kss s HIS 31 Cb -0.11 -1.07 0.09 0.00 1.11 0.00 0.00 32.58 32.59 2kss s HIS 31 CO 0.13 -0.45 1.13 0.34 -0.85 0.00 0.00 174.74 175.04 2kss s ASP 32 N -3.60 3.88 0.02 1.40 -1.08 -1.26 -5.05 116.67 110.98 2kss s ASP 32 Ca 0.25 2.05 0.03 0.00 -0.52 0.00 0.00 52.55 54.36 2kss s ASP 32 Cb 0.01 -2.55 -0.02 0.00 -1.46 0.00 0.00 42.92 38.91 2kss s ASP 32 CO 0.17 -2.46 -0.10 -0.69 0.52 0.00 0.00 175.17 172.61 2kss s VAL 33 N -2.65 0.77 0.23 1.11 1.01 -1.26 -5.12 120.40 114.50 2kss s VAL 33 Ca 0.65 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 2kss s VAL 33 Cb -0.21 -0.71 -0.10 0.00 0.00 0.00 0.00 36.38 35.35 2kss s VAL 33 CO 0.54 -0.02 1.50 -0.62 0.00 0.00 0.00 175.10 176.50 2kss s ASP 34 N -0.86 6.59 0.00 3.32 3.68 -1.26 -4.42 116.67 123.71 2kss s ASP 34 Ca -0.01 2.69 0.00 0.00 2.13 0.00 0.00 52.55 57.37 2kss s ASP 34 Cb -0.06 -2.62 0.00 0.00 -1.45 0.00 0.00 42.92 38.79 2kss s ASP 34 CO 0.00 -0.77 0.00 0.61 0.13 0.00 0.00 175.17 175.14 2kss n GLY 35 N 2.70 -1.28 3.48 2.66 0.00 -1.26 -5.15 105.19 106.34 2kss n GLY 35 Ca 0.09 -0.53 -0.10 0.00 0.00 0.00 0.00 46.02 45.48 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 -0.01 -1.76 -0.06 4.61 0.00 -1.26 -4.94 121.76 118.34 2kss s ALA 36 Ca 0.00 0.89 -0.26 0.00 0.00 0.00 0.00 51.96 52.60 2kss s ALA 36 Cb 0.00 0.50 -0.23 0.00 0.00 0.00 0.00 23.12 23.39 2kss s ALA 36 CO 0.00 -0.69 1.05 -1.00 0.00 0.00 0.00 175.76 175.12 2kss h PRO 37 N 2.05 0.10 -5.10 0.00 0.13 -1.97 -3.47 132.00 123.75 2kss h PRO 37 Ca -0.26 -0.10 -0.57 0.00 -0.87 0.00 0.00 66.00 64.20 2kss h PRO 37 Cb 1.26 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.28 2kss h PRO 37 CO 0.33 0.83 -0.53 0.14 -0.23 0.00 0.00 178.00 178.54 2kss s VAL 38 N -3.26 0.78 0.15 1.56 -7.23 -1.26 -4.90 120.40 106.23 2kss s VAL 38 Ca -0.16 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.06 2kss s VAL 38 Cb 0.00 -2.38 -0.04 0.00 0.56 0.00 0.00 36.38 34.53 2kss s VAL 38 CO 0.72 0.00 0.04 -0.60 -0.31 0.00 0.00 175.10 174.95 2kss s ARG 39 N -3.76 2.61 0.26 4.82 3.52 -1.26 -4.99 118.95 120.15 2kss s ARG 39 Ca 0.22 -0.95 -0.31 0.00 -0.13 0.00 0.00 55.73 54.57 2kss s ARG 39 Cb 0.03 -2.50 -0.11 0.00 -1.56 0.00 0.00 34.95 30.80 2kss s ARG 39 CO 0.13 0.49 1.60 0.42 -0.81 0.00 0.00 175.30 177.13 2kss s ILE 40 N -1.62 2.16 0.00 4.11 -1.09 -1.26 -0.83 121.20 122.67 2kss s ILE 40 Ca 0.28 0.13 0.00 0.00 -2.23 0.00 0.00 60.65 58.83 2kss s ILE 40 Cb -0.10 -3.08 0.00 0.00 -1.58 0.00 0.00 42.46 37.70 2kss s ILE 40 CO 0.20 0.02 0.00 0.61 -1.23 0.00 0.00 174.94 174.54 2kss n GLY 41 N 2.67 0.46 3.74 6.18 0.00 -1.24 -4.99 105.19 112.01 2kss n GLY 41 Ca 0.10 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.03 3.32 -0.38 4.61 0.00 -0.01 -4.86 121.76 122.40 2kss s ALA 42 Ca 0.00 0.55 -0.18 0.00 0.00 0.00 0.00 51.96 52.33 2kss s ALA 42 Cb 0.00 -3.19 0.01 0.00 0.00 0.00 0.00 23.12 19.93 2kss s ALA 42 CO 0.00 0.12 0.51 0.21 0.00 0.00 0.00 175.76 176.60 2kss s LYS 43 N -0.66 3.41 0.44 0.00 2.20 -1.26 -2.32 119.74 121.56 2kss s LYS 43 Ca 0.42 -0.38 0.08 0.00 -0.36 0.00 0.00 55.97 55.73 2kss s LYS 43 Cb -0.24 -3.88 0.01 0.00 -1.51 0.00 0.00 37.83 32.21 2kss s LYS 43 CO 0.30 -0.76 0.49 0.14 -0.36 0.00 0.00 175.35 175.16 2kss s VAL 44 N 2.38 2.66 -0.21 4.02 -7.23 0.25 -3.77 120.40 118.50 2kss s VAL 44 Ca 0.17 -1.19 0.01 0.00 -1.81 0.00 0.00 61.98 59.16 2kss s VAL 44 Cb -0.16 -2.85 0.05 0.00 0.56 0.00 0.00 36.38 33.98 2kss s VAL 44 CO 0.14 0.00 -0.11 -0.75 -0.31 0.00 0.00 175.10 174.08 2kss s LYS 45 N -4.28 2.11 -0.11 4.82 2.20 -1.23 -2.41 119.74 120.84 2kss s LYS 45 Ca 0.51 -0.96 -0.29 0.00 -0.36 0.00 0.00 55.97 54.87 2kss s LYS 45 Cb -0.06 -2.54 -0.05 0.00 -1.51 0.00 0.00 37.83 33.67 2kss s LYS 45 CO 0.30 -0.46 1.68 0.08 -0.36 0.00 0.00 175.35 176.60 2kss s VAL 46 N 1.33 3.58 0.95 4.02 1.01 -1.02 -4.08 120.40 126.19 2kss s VAL 46 Ca -0.03 0.68 -0.12 0.00 0.00 0.00 0.00 61.98 62.51 2kss s VAL 46 Cb -0.17 -3.50 0.08 0.00 0.00 0.00 0.00 36.38 32.79 2kss s VAL 46 CO -0.08 -0.13 0.64 1.33 0.00 0.00 0.00 175.10 176.86 2kss n VAL 47 N 5.89 0.00 -0.04 2.92 0.24 -1.26 -3.40 118.33 122.68 2kss n VAL 47 Ca 0.18 -0.14 -0.14 0.00 -2.04 0.00 0.00 64.34 62.21 2kss n VAL 47 Cb 0.44 -0.75 -0.12 0.00 -1.47 0.00 0.00 33.84 31.94 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 -1.72 0.01 -6.51 7.34 0.13 -1.92 -3.39 132.00 125.94 2kss h PRO 48 Ca -0.44 -0.01 -0.70 0.00 -0.87 0.00 0.00 66.00 63.99 2kss h PRO 48 Cb 1.28 0.00 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 2kss h PRO 48 CO 0.37 0.76 -0.84 -3.38 -0.23 0.00 0.00 178.00 174.68 2kss s HIS 49 N -3.20 2.49 0.43 1.56 -3.43 -1.26 -4.83 115.29 107.05 2kss s HIS 49 Ca -0.17 -0.32 -0.09 0.00 -0.80 0.00 0.00 55.06 53.68 2kss s HIS 49 Cb -0.01 -1.54 -0.06 0.00 -1.43 0.00 0.00 32.58 29.55 2kss s HIS 49 CO 0.69 0.08 0.78 0.45 -2.00 0.00 0.00 174.74 174.73 2kss s SER 50 N -0.76 6.45 0.00 7.38 0.15 -1.26 -4.99 113.70 120.66 2kss s SER 50 Ca 0.11 1.09 0.06 0.00 0.70 0.00 0.00 55.95 57.90 2kss s SER 50 Cb -0.10 -2.31 0.12 0.00 -1.71 0.00 0.00 66.02 62.02 2kss s SER 50 CO 0.00 -0.46 0.97 -0.62 1.20 0.00 0.00 173.24 174.34 2kss n GLU 51 N -1.58 1.83 0.00 5.44 -0.58 -1.26 -4.85 120.64 119.63 2kss n GLU 51 Ca 0.02 -1.46 0.00 0.00 -0.42 0.00 0.00 57.16 55.30 2kss n GLU 51 Cb 0.54 -1.13 0.00 0.00 -0.57 0.00 0.00 31.44 30.28 2kss n GLU 51 CO 0.00 0.00 0.00 -0.25 -0.48 0.00 0.00 177.13 176.40 2kss n ASP 52 N 0.14 0.00 0.13 1.62 8.00 -1.26 -5.10 116.55 120.08 2kss n ASP 52 Ca 0.05 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.55 2kss n ASP 52 Cb 0.27 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.37 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2kss n GLY 53 N 3.64 -1.33 3.75 0.44 0.00 -1.26 -5.12 105.19 105.31 2kss n GLY 53 Ca 0.00 0.23 -0.42 0.00 0.00 0.00 0.00 46.02 45.84 2kss n GLY 53 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 2kss n THR 54 N -3.03 1.37 -3.61 2.61 5.66 -1.26 -4.97 114.28 111.05 2kss n THR 54 Ca 0.00 -0.34 -0.04 0.00 -3.05 0.00 0.00 64.05 60.62 2kss n THR 54 Cb 0.00 -1.92 -0.01 0.00 -1.55 0.00 0.00 70.33 66.85 2kss n THR 54 CO 0.00 0.00 0.00 -0.51 -3.05 0.00 0.00 175.07 171.51 2kss s ILE 55 N -0.41 0.00 -0.12 1.09 1.10 -1.26 -4.69 121.20 116.90 2kss s ILE 55 Ca 0.60 -0.20 -0.04 0.00 -0.51 0.00 0.00 60.65 60.51 2kss s ILE 55 Cb -0.50 -1.46 0.05 0.00 0.15 0.00 0.00 42.46 40.70 2kss s ILE 55 CO 0.54 0.00 0.12 -0.44 -2.11 0.00 0.00 174.94 173.05 2kss s SER 56 N -2.62 1.55 0.14 4.50 0.01 -1.26 -4.99 113.70 111.04 2kss s SER 56 Ca 0.10 -0.18 0.20 0.00 1.31 0.00 0.00 55.95 57.38 2kss s SER 56 Cb 0.00 -0.01 0.82 0.00 0.21 0.00 0.00 66.02 67.04 2kss s SER 56 CO -0.04 -0.30 1.60 1.67 0.41 0.00 0.00 173.24 176.58 2kss n GLN 57 N 5.30 0.11 0.08 12.44 7.27 -1.26 -2.14 117.38 139.17 2kss n GLN 57 Ca -0.05 0.35 -0.18 0.00 0.07 0.00 0.00 57.00 57.19 2kss n GLN 57 Cb 0.50 -1.71 -0.14 0.00 2.41 0.00 0.00 30.24 31.29 2kss n GLN 57 CO 0.00 0.00 0.00 -0.09 0.07 0.00 0.00 177.06 177.04 2kss h ARG 58 N 0.00 0.29 -0.63 3.69 2.43 -1.99 -3.28 114.38 114.88 2kss h ARG 58 Ca 0.00 -0.49 0.00 0.00 -0.81 0.00 0.00 59.98 58.68 2kss h ARG 58 Cb 0.32 0.18 0.00 0.00 -0.42 0.00 0.00 29.97 30.05 2kss h ARG 58 CO 0.00 1.17 0.00 1.19 -1.51 0.00 0.00 179.97 180.82 2kss n PHE 59 N -3.49 1.74 -1.89 2.20 3.72 -0.95 -4.86 117.46 113.93 2kss n PHE 59 Ca -0.16 -0.62 -0.23 0.00 -0.05 0.00 0.00 57.45 56.39 2kss n PHE 59 Cb 1.05 -0.41 -0.06 0.00 -0.94 0.00 0.00 39.48 39.13 2kss n PHE 59 CO 0.00 0.00 0.00 -1.17 -0.05 0.00 0.00 176.76 175.54 2kss s LEU 60 N -2.27 3.08 0.00 4.37 0.20 -0.91 -1.09 118.68 122.06 2kss s LEU 60 Ca 0.48 -0.38 0.00 0.00 0.69 0.00 0.00 54.13 54.92 2kss s LEU 60 Cb 0.35 -2.55 0.00 0.00 -0.43 0.00 0.00 46.19 43.56 2kss s LEU 60 CO 0.17 -3.09 0.00 0.61 -0.29 0.00 0.00 176.35 173.75 2kss n GLY 61 N 6.78 1.67 4.01 7.98 0.00 -1.22 -4.94 105.19 119.47 2kss n GLY 61 Ca 0.41 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 46.17 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 -0.89 2.30 -0.23 1.61 2.00 -0.25 -4.99 119.66 119.21 2kss s GLN 62 Ca 0.00 -1.72 -0.04 0.00 -2.00 0.00 0.00 55.36 51.61 2kss s GLN 62 Cb 0.00 -2.54 0.12 0.00 0.80 0.00 0.00 33.01 31.39 2kss s GLN 62 CO 0.00 -0.81 0.35 0.99 -0.50 0.00 0.00 175.29 175.32 2kss s THR 63 N -2.69 -0.56 0.15 -0.34 2.01 -1.26 -2.45 115.64 110.51 2kss s THR 63 Ca 0.56 -0.02 0.01 0.00 0.31 0.00 0.00 61.69 62.55 2kss s THR 63 Cb -0.05 -0.75 -0.00 0.00 0.01 0.00 0.00 72.50 71.70 2kss s THR 63 CO 0.36 -0.09 0.03 0.61 -0.69 0.00 0.00 174.62 174.83 2kss n GLY 64 N 5.36 3.88 3.44 4.40 0.00 -1.01 -4.66 105.19 116.61 2kss n GLY 64 Ca -0.05 -2.11 -0.29 0.00 0.00 0.00 0.00 46.02 43.58 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 -1.88 2.59 -0.06 -0.61 1.01 -1.10 -0.58 121.20 120.57 2kss s ILE 65 Ca 0.04 -1.58 -0.30 0.00 0.00 0.00 0.00 60.65 58.81 2kss s ILE 65 Cb 0.00 -2.16 -0.03 0.00 0.01 0.00 0.00 42.46 40.29 2kss s ILE 65 CO 0.03 0.12 1.09 -0.69 0.00 0.00 0.00 174.94 175.48 2kss s VAL 66 N -1.09 4.55 0.02 2.92 1.01 -0.98 -2.75 120.40 124.08 2kss s VAL 66 Ca 0.16 1.84 -0.20 0.00 0.00 0.00 0.00 61.98 63.77 2kss s VAL 66 Cb -0.10 -4.18 -0.17 0.00 0.00 0.00 0.00 36.38 31.93 2kss s VAL 66 CO 0.08 0.04 1.25 0.58 0.00 0.00 0.00 175.10 177.05 2kss h VAL 67 N 4.97 1.39 0.00 2.92 2.07 -1.74 -3.28 116.25 122.58 2kss h VAL 67 Ca -0.34 -1.58 0.00 0.00 0.82 0.00 0.00 66.70 65.60 2kss h VAL 67 Cb 1.17 2.13 0.00 0.00 -1.52 0.00 0.00 31.29 33.07 2kss h VAL 67 CO 0.84 0.46 0.00 0.61 0.02 0.00 0.00 177.57 179.51 2kss n GLY 68 N 0.51 2.72 3.88 2.17 0.00 -1.26 -4.86 105.19 108.35 2kss n GLY 68 Ca -0.07 -0.19 -0.01 0.00 0.00 0.00 0.00 46.02 45.75 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 -0.01 -0.39 0.99 0.20 -1.26 -4.68 118.68 113.53 2kss s LEU 69 Ca 0.00 -0.50 -0.03 0.00 0.69 0.00 0.00 54.13 54.29 2kss s LEU 69 Cb 0.00 1.84 0.10 0.00 -0.43 0.00 0.00 46.19 47.70 2kss s LEU 69 CO 0.00 -0.76 0.17 0.68 -0.29 0.00 0.00 176.35 176.15 2kss s VAL 70 N -2.22 3.25 0.21 1.68 -7.23 -1.26 -4.14 120.40 110.70 2kss s VAL 70 Ca 0.23 -1.91 -0.00 0.00 -1.81 0.00 0.00 61.98 58.49 2kss s VAL 70 Cb -0.01 -3.16 -0.04 0.00 0.56 0.00 0.00 36.38 33.72 2kss s VAL 70 CO 0.03 -0.57 0.11 -0.36 -0.31 0.00 0.00 175.10 173.99 2kss s PHE 71 N 1.17 1.26 -0.65 2.82 0.08 -1.26 -4.81 117.98 116.59 2kss s PHE 71 Ca 0.06 -1.29 -0.38 0.00 0.12 0.00 0.00 56.93 55.44 2kss s PHE 71 Cb -0.22 -0.67 -0.19 0.00 -0.57 0.00 0.00 43.02 41.37 2kss s PHE 71 CO -0.03 -0.51 2.34 -0.25 -0.10 0.00 0.00 175.22 176.67 2kss n ASP 72 N -0.32 0.83 -4.63 1.36 8.00 -1.26 -4.79 116.55 115.74 2kss n ASP 72 Ca 0.00 0.43 -0.43 0.00 0.71 0.00 0.00 54.79 55.51 2kss n ASP 72 Cb 0.66 -0.98 -0.02 0.00 -0.02 0.00 0.00 41.12 40.76 2kss n ASP 72 CO 0.00 0.00 0.00 -1.81 -0.39 0.00 0.00 177.20 175.00 2kss s ASP 73 N 7.40 6.54 0.71 -2.24 -0.00 -1.26 -4.74 116.67 123.08 2kss s ASP 73 Ca 1.23 1.29 0.00 0.00 -0.00 0.00 0.00 52.55 55.07 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 -1.18 0.00 -0.81 -0.00 0.00 0.00 175.17 173.75 2kss n PRO 74 N 7.51 -0.07 0.00 8.23 -0.04 -1.26 -4.80 135.00 144.57 2kss n PRO 74 Ca 0.16 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.75 2kss n PRO 74 Cb 0.46 0.00 0.68 0.00 -0.04 0.00 0.00 33.50 34.61 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 2.34 -0.57 0.55 0.00 -1.26 -2.42 120.51 116.15 2kss n ALA 75 Ca 0.00 -0.13 0.01 0.00 0.00 0.00 0.00 53.44 53.32 2kss n ALA 75 Cb 0.00 -1.42 0.02 0.00 0.00 0.00 0.00 19.45 18.05 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 -1.20 0.77 -1.56 0.00 5.66 -1.26 -5.12 114.28 111.58 2kss n THR 76 Ca 0.14 -0.83 0.04 0.00 -3.05 0.00 0.00 64.05 60.36 2kss n THR 76 Cb 0.17 0.53 -0.02 0.00 -1.55 0.00 0.00 70.33 69.46 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 -0.46 -3.87 -3.52 1.09 6.02 -1.02 -5.04 117.38 110.59 2kss n GLN 77 Ca 0.02 3.04 -0.12 0.00 -0.01 0.00 0.00 57.00 59.93 2kss n GLN 77 Cb 0.41 -3.94 -0.04 0.00 1.02 0.00 0.00 30.24 27.69 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 -5.17 -0.46 -0.07 1.08 6.14 -1.26 -4.66 117.35 112.95 2kss s TYR 78 Ca 0.00 0.62 -0.16 0.00 0.64 0.00 0.00 57.07 58.18 2kss s TYR 78 Cb 0.00 0.48 -0.11 0.00 0.42 0.00 0.00 41.96 42.74 2kss s TYR 78 CO 0.00 -0.53 0.61 -1.00 0.64 0.00 0.00 175.55 175.27 2kss h PRO 79 N 2.47 -0.22 0.00 4.97 0.13 -1.92 -3.41 132.00 134.02 2kss h PRO 79 Ca -0.24 0.01 -0.08 0.00 -0.87 0.00 0.00 66.00 64.83 2kss h PRO 79 Cb 1.19 0.05 -0.01 0.00 0.13 0.00 0.00 31.00 32.36 2kss h PRO 79 CO 0.34 0.11 -1.35 -0.25 -0.23 0.00 0.00 178.00 176.63 2kss n ASP 80 N -4.91 3.67 -4.37 1.44 10.43 -1.26 -5.05 116.55 116.50 2kss n ASP 80 Ca -0.06 0.00 -0.19 0.00 2.57 0.00 0.00 54.79 57.11 2kss n ASP 80 Cb 0.22 0.78 -0.10 0.00 1.84 0.00 0.00 41.12 43.85 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 -3.44 2.34 0.17 -2.24 1.01 -1.26 -5.05 116.67 108.19 2kss s ASP 81 Ca -0.03 -1.17 -0.00 0.00 0.71 0.00 0.00 52.55 52.07 2kss s ASP 81 Cb 0.02 -0.09 0.01 0.00 1.01 0.00 0.00 42.92 43.87 2kss s ASP 81 CO 0.23 -0.38 1.39 1.55 0.21 0.00 0.00 175.17 178.17 2kss h PRO 82 N 2.42 0.31 -5.07 8.23 0.13 -1.87 -3.36 132.00 132.78 2kss h PRO 82 Ca -0.39 -0.30 -0.53 0.00 -0.87 0.00 0.00 66.00 63.91 2kss h PRO 82 Cb 1.22 0.08 -0.13 0.00 0.13 0.00 0.00 31.00 32.30 2kss h PRO 82 CO 0.65 0.98 -0.54 -0.48 -0.23 0.00 0.00 178.00 178.38 2kss s LEU 83 N -7.69 2.01 0.39 1.56 2.34 -1.26 -4.62 118.68 111.41 2kss s LEU 83 Ca -0.04 -1.60 -0.25 0.00 0.06 0.00 0.00 54.13 52.30 2kss s LEU 83 Cb 0.10 -0.16 -0.09 0.00 -0.56 0.00 0.00 46.19 45.48 2kss s LEU 83 CO 0.84 -0.86 1.07 0.27 -1.06 0.00 0.00 176.35 176.61 2kss s ILE 84 N -3.25 3.60 -0.03 1.48 -4.36 -1.26 -4.58 121.20 112.80 2kss s ILE 84 Ca 0.27 1.28 0.01 0.00 -0.26 0.00 0.00 60.65 61.95 2kss s ILE 84 Cb 0.04 -3.69 0.02 0.00 1.25 0.00 0.00 42.46 40.08 2kss s ILE 84 CO 0.14 0.07 -0.03 0.00 0.24 0.00 0.00 174.94 175.36 2kss s GLN 85 N -2.33 0.60 -0.04 0.37 -2.07 -1.26 -2.00 119.66 112.92 2kss s GLN 85 Ca 0.56 -0.06 -0.02 0.00 -1.82 0.00 0.00 55.36 54.02 2kss s GLN 85 Cb -0.25 -0.65 -0.04 0.00 -1.09 0.00 0.00 33.01 30.98 2kss s GLN 85 CO 0.31 -0.07 0.08 0.08 -1.32 0.00 0.00 175.29 174.37 2kss s VAL 86 N 0.78 4.79 -0.05 3.63 1.01 0.28 -1.85 120.40 128.99 2kss s VAL 86 Ca -0.09 -0.26 0.01 0.00 0.00 0.00 0.00 61.98 61.64 2kss s VAL 86 Cb -0.12 -3.14 0.02 0.00 0.00 0.00 0.00 36.38 33.14 2kss s VAL 86 CO -0.00 0.45 -0.06 -0.22 0.00 0.00 0.00 175.10 175.27 2kss s LEU 87 N -1.43 1.35 0.14 3.92 0.20 -1.11 -1.43 118.68 120.32 2kss s LEU 87 Ca 0.19 -0.18 -0.02 0.00 0.69 0.00 0.00 54.13 54.82 2kss s LEU 87 Cb -0.12 -0.56 -0.05 0.00 -0.43 0.00 0.00 46.19 45.03 2kss s LEU 87 CO 0.10 -0.05 0.33 -0.69 -0.29 0.00 0.00 176.35 175.75 2kss s VAL 88 N 0.96 5.24 -0.05 1.68 1.01 -1.00 -2.71 120.40 125.54 2kss s VAL 88 Ca -0.10 -0.20 -0.30 0.00 0.00 0.00 0.00 61.98 61.38 2kss s VAL 88 Cb -0.14 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2kss s VAL 88 CO 0.00 0.01 1.41 -0.70 0.00 0.00 0.00 175.10 175.82 2kss s GLU 89 N -2.80 4.25 0.00 2.72 2.12 -1.26 -2.02 118.70 121.71 2kss s GLU 89 Ca 0.39 1.93 0.00 0.00 0.36 0.00 0.00 54.97 57.65 2kss s GLU 89 Cb -0.12 -3.70 0.00 0.00 0.26 0.00 0.00 34.13 30.57 2kss s GLU 89 CO 0.27 -0.65 0.00 0.41 -0.54 0.00 0.00 175.26 174.74 2kss n GLY 90 N 3.72 2.52 0.00 -1.50 0.00 -1.26 -4.98 105.19 103.70 2kss n GLY 90 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 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 -0.86 -5.15 117.00 116.30 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 -0.24 0.00 0.61 -1.22 0.00 0.00 177.39 176.54 2kss n GLY 92 N 5.00 1.38 2.98 -0.72 0.00 -1.26 -4.62 105.19 107.95 2kss n GLY 92 Ca 0.00 -1.97 -0.14 0.00 0.00 0.00 0.00 46.02 43.92 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 1.97 0.39 0.16 1.61 -1.05 -1.26 -2.37 118.70 118.15 2kss s GLU 93 Ca 0.00 -0.39 -0.02 0.00 -0.15 0.00 0.00 54.97 54.40 2kss s GLU 93 Cb 0.00 -0.27 -0.04 0.00 -0.44 0.00 0.00 34.13 33.39 2kss s GLU 93 CO 0.00 0.06 0.11 0.34 0.95 0.00 0.00 175.26 176.73 2kss s ASP 94 N -0.72 0.22 -0.16 0.83 2.15 -0.51 -4.98 116.67 113.50 2kss s ASP 94 Ca -0.04 -1.20 -0.08 0.00 0.43 0.00 0.00 52.55 51.66 2kss s ASP 94 Cb -0.05 0.34 -0.04 0.00 -0.30 0.00 0.00 42.92 42.87 2kss s ASP 94 CO -0.00 -0.79 0.11 -0.76 -0.17 0.00 0.00 175.17 173.56 2kss s LEU 95 N -3.07 4.11 0.37 -1.34 2.01 -1.26 -0.55 118.68 118.95 2kss s LEU 95 Ca 0.27 0.26 0.05 0.00 0.01 0.00 0.00 54.13 54.72 2kss s LEU 95 Cb 0.07 -2.03 -0.07 0.00 0.01 0.00 0.00 46.19 44.17 2kss s LEU 95 CO 0.04 0.26 0.04 -0.36 1.01 0.00 0.00 176.35 177.35 2kss s PHE 96 N -0.15 2.17 0.28 0.29 0.08 -0.85 -4.86 117.98 114.95 2kss s PHE 96 Ca 0.09 -0.86 0.02 0.00 0.12 0.00 0.00 56.93 56.31 2kss s PHE 96 Cb -0.12 -1.48 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 2kss s PHE 96 CO 0.01 0.18 0.44 -0.06 -0.10 0.00 0.00 175.22 175.69 2kss s PHE 97 N -3.06 3.48 -0.01 0.36 0.40 -1.26 -4.23 117.98 113.66 2kss s PHE 97 Ca 0.35 0.18 0.21 0.00 -0.60 0.00 0.00 56.93 57.07 2kss s PHE 97 Cb 0.09 -1.74 0.61 0.00 0.51 0.00 0.00 43.02 42.48 2kss s PHE 97 CO 0.16 0.30 1.69 -1.00 0.70 0.00 0.00 175.22 177.07 2kss h PRO 98 N 1.10 0.00 -0.34 0.24 0.13 -1.98 -2.80 132.00 128.36 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 1.22 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 98 CO 0.62 0.28 0.00 -0.85 -0.23 0.00 0.00 178.00 177.83 2kss n GLU 99 N -3.31 2.47 -0.02 0.86 0.28 -1.26 -4.50 120.64 115.16 2kss n GLU 99 Ca 0.01 -2.21 -0.01 0.00 -0.16 0.00 0.00 57.16 54.78 2kss n GLU 99 Cb 0.53 -1.51 -0.00 0.00 1.43 0.00 0.00 31.44 31.89 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 4.47 0.00 -6.68 3.44 4.39 -1.89 -3.47 114.58 114.83 2kss h GLU 100 Ca 0.00 0.00 -0.45 0.00 0.34 0.00 0.00 59.36 59.25 2kss h GLU 100 Cb 0.98 0.00 0.04 0.00 -0.10 0.00 0.00 28.75 29.67 2kss h GLU 100 CO 0.00 0.00 -0.11 -0.48 -1.16 0.00 0.00 179.01 177.26 2kss s LEU 101 N -5.71 3.33 0.34 1.33 0.05 -1.20 -4.76 118.68 112.05 2kss s LEU 101 Ca -0.05 -0.42 0.06 0.00 0.05 0.00 0.00 54.13 53.77 2kss s LEU 101 Cb 0.01 -2.36 -0.07 0.00 -2.05 0.00 0.00 46.19 41.72 2kss s LEU 101 CO 0.07 -1.15 0.01 -1.83 -0.55 0.00 0.00 176.35 172.90 2kss s GLU 102 N -4.64 1.71 -0.19 1.48 -1.05 -1.26 -4.84 118.70 109.92 2kss s GLU 102 Ca 0.59 -1.93 -0.29 0.00 -0.15 0.00 0.00 54.97 53.18 2kss s GLU 102 Cb -0.08 -1.17 -0.00 0.00 -0.44 0.00 0.00 34.13 32.43 2kss s GLU 102 CO 0.37 -0.08 1.14 -1.17 0.95 0.00 0.00 175.26 176.47 2kss s LEU 103 N -3.54 4.15 0.43 1.83 0.20 -1.26 -3.50 118.68 117.00 2kss s LEU 103 Ca 0.34 1.54 -0.25 0.00 0.69 0.00 0.00 54.13 56.45 2kss s LEU 103 Cb 0.08 -3.54 -0.08 0.00 -0.43 0.00 0.00 46.19 42.21 2kss s LEU 103 CO 0.15 -0.69 1.32 0.00 -0.29 0.00 0.00 176.35 176.84 2kss s ALA 104 N 3.19 3.18 -0.07 5.97 0.00 -1.25 -4.92 121.76 127.85 2kss s ALA 104 Ca 0.49 1.26 -0.22 0.00 0.00 0.00 0.00 51.96 53.50 2kss s ALA 104 Cb -0.19 -3.51 -0.17 0.00 0.00 0.00 0.00 23.12 19.25 2kss s ALA 104 CO 0.11 -0.94 0.82 -1.00 0.00 0.00 0.00 175.76 174.75 2kss h PRO 105 N 2.42 -0.11 -0.03 0.00 0.13 -1.94 -3.48 132.00 128.99 2kss h PRO 105 Ca -0.50 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 2kss h PRO 105 Cb 1.26 0.02 0.00 0.00 0.13 0.00 0.00 31.00 32.41 2kss h PRO 105 CO 0.61 0.43 0.00 0.39 -0.23 0.00 0.00 178.00 179.21