#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kss n ILE 22 N 0.00 0.04 -1.43 1.12 0.00 -1.26 -4.90 119.36 112.93 2kss n ILE 22 Ca 0.00 -0.03 -0.05 0.00 0.00 0.00 0.00 62.75 62.68 2kss n ILE 22 Cb 0.00 -0.65 0.03 0.00 0.00 0.00 0.00 39.64 39.02 2kss n ILE 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2kss n GLN 23 N 6.51 -0.05 -1.16 9.51 1.13 -1.26 -4.99 117.38 127.08 2kss n GLN 23 Ca 0.46 -0.37 -0.38 0.00 -1.94 0.00 0.00 57.00 54.77 2kss n GLN 23 Cb -0.01 -0.20 0.02 0.00 0.11 0.00 0.00 30.24 30.16 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 -3.11 -4.39 -4.08 1.08 5.75 -1.26 -4.93 116.55 105.61 2kss n ASP 24 Ca 0.03 0.49 -0.30 0.00 -0.01 0.00 0.00 54.79 55.00 2kss n ASP 24 Cb 0.10 -0.83 0.20 0.00 -1.03 0.00 0.00 41.12 39.55 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 -1.43 -0.08 0.55 0.11 0.04 -1.26 -4.90 135.00 128.02 2kss s PRO 25 Ca 0.51 -0.17 0.25 0.00 0.04 0.00 0.00 61.00 61.64 2kss s PRO 25 Cb -0.38 -1.74 1.47 0.00 0.04 0.00 0.00 34.50 33.90 2kss s PRO 25 CO 0.72 -2.94 2.04 1.03 0.04 0.00 0.00 177.00 177.89 2kss h SER 26 N -2.02 0.00 -1.17 6.66 0.87 -2.05 -3.43 113.55 112.41 2kss h SER 26 Ca -0.45 0.00 -0.77 0.00 -1.23 0.00 0.00 61.79 59.34 2kss h SER 26 Cb 1.27 0.00 0.05 0.00 -0.44 0.00 0.00 62.40 63.28 2kss h SER 26 CO 0.40 0.00 0.17 0.18 -0.53 0.00 0.00 176.83 177.05 2kss n LEU 27 N -4.15 0.43 -4.71 2.23 4.77 -1.26 -4.87 117.00 109.44 2kss n LEU 27 Ca 0.05 1.15 -0.39 0.00 -0.03 0.00 0.00 56.01 56.79 2kss n LEU 27 Cb 0.45 -0.99 -0.05 0.00 -2.33 0.00 0.00 43.42 40.50 2kss n LEU 27 CO 0.33 -1.67 0.32 0.27 -1.33 0.00 0.00 177.39 175.30 2kss s ILE 28 N 0.21 5.09 -0.33 -0.08 -4.36 -1.26 -5.04 121.20 115.43 2kss s ILE 28 Ca 0.90 1.22 -0.12 0.00 -0.26 0.00 0.00 60.65 62.39 2kss s ILE 28 Cb -1.20 -3.94 -0.02 0.00 1.25 0.00 0.00 42.46 38.55 2kss s ILE 28 CO 0.55 0.25 0.22 -0.51 0.24 0.00 0.00 174.94 175.69 2kss s ILE 29 N 0.98 5.18 -0.03 8.37 -1.16 -1.26 -5.07 121.20 128.22 2kss s ILE 29 Ca 0.32 -0.20 0.04 0.00 -0.51 0.00 0.00 60.65 60.30 2kss s ILE 29 Cb -0.16 -3.64 -0.03 0.00 0.61 0.00 0.00 42.46 39.24 2kss s ILE 29 CO 0.14 0.03 -0.13 0.00 -2.81 0.00 0.00 174.94 172.18 2kss n HIS 31 N 2.03 -3.97 -0.71 0.00 8.25 -1.26 -5.03 115.22 114.53 2kss n HIS 31 Ca -0.17 -1.12 -0.29 0.00 -0.26 0.00 0.00 57.72 55.89 2kss n HIS 31 Cb 0.52 -1.08 0.24 0.00 1.12 0.00 0.00 29.99 30.79 2kss n HIS 31 CO 0.00 0.00 0.00 0.16 0.64 0.00 0.00 176.34 177.14 2kss s ASP 32 N -5.41 1.07 -0.04 0.41 1.47 -1.26 -5.05 116.67 107.86 2kss s ASP 32 Ca 0.75 1.29 0.03 0.00 1.18 0.00 0.00 52.55 55.80 2kss s ASP 32 Cb -0.04 -1.99 0.00 0.00 -0.34 0.00 0.00 42.92 40.56 2kss s ASP 32 CO 0.54 -4.11 -0.13 -0.69 0.68 0.00 0.00 175.17 171.46 2kss s VAL 33 N -2.60 1.13 0.45 2.11 1.01 -1.26 -5.11 120.40 116.13 2kss s VAL 33 Ca 0.68 -0.55 -0.24 0.00 0.00 0.00 0.00 61.98 61.88 2kss s VAL 33 Cb -0.22 -0.99 -0.10 0.00 0.00 0.00 0.00 36.38 35.08 2kss s VAL 33 CO 0.62 0.34 1.04 -0.90 0.00 0.00 0.00 175.10 176.20 2kss n ASP 34 N 3.26 1.39 0.00 3.32 5.75 -1.26 -2.45 116.55 126.56 2kss n ASP 34 Ca -0.19 1.01 0.00 0.00 -0.01 0.00 0.00 54.79 55.61 2kss n ASP 34 Cb 0.53 -1.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.24 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 1.14 2.80 3.07 6.12 0.00 -1.26 -5.07 105.19 112.00 2kss n GLY 35 Ca 0.09 -0.68 -0.35 0.00 0.00 0.00 0.00 46.02 45.08 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 -5.02 0.02 4.61 0.00 -1.03 -4.91 120.51 114.18 2kss n ALA 36 Ca 0.00 -0.68 -0.10 0.00 0.00 0.00 0.00 53.44 52.66 2kss n ALA 36 Cb 0.00 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.12 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 -1.10 -0.14 -5.16 0.00 0.13 -1.92 -3.48 132.00 120.33 2kss h PRO 37 Ca -0.44 0.01 -0.62 0.00 -0.87 0.00 0.00 66.00 64.08 2kss h PRO 37 Cb 1.30 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.33 2kss h PRO 37 CO 0.25 0.33 -0.52 0.14 -0.23 0.00 0.00 178.00 177.96 2kss s VAL 38 N -2.97 0.98 -0.04 1.56 -7.23 -1.26 -5.10 120.40 106.35 2kss s VAL 38 Ca -0.12 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.07 2kss s VAL 38 Cb -0.00 -2.31 -0.03 0.00 0.56 0.00 0.00 36.38 34.59 2kss s VAL 38 CO 0.45 0.00 -0.07 -0.60 -0.31 0.00 0.00 175.10 174.57 2kss s ARG 39 N -3.80 2.66 0.30 4.82 3.00 -1.26 -4.99 118.95 119.67 2kss s ARG 39 Ca 0.16 -0.63 -0.29 0.00 -1.00 0.00 0.00 55.73 53.98 2kss s ARG 39 Cb 0.03 -2.55 -0.13 0.00 0.00 0.00 0.00 34.95 32.30 2kss s ARG 39 CO 0.09 0.64 1.23 -0.89 0.00 0.00 0.00 175.30 176.36 2kss n ILE 40 N 1.93 1.74 -1.39 4.11 2.08 -1.26 -1.22 119.36 125.35 2kss n ILE 40 Ca -0.17 -0.43 -0.05 0.00 0.56 0.00 0.00 62.75 62.66 2kss n ILE 40 Cb 0.53 -1.35 -0.02 0.00 -0.75 0.00 0.00 39.64 38.05 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 1.23 0.60 3.78 7.39 0.00 -1.25 -5.02 105.19 111.93 2kss n GLY 41 Ca 0.08 -0.80 -0.36 0.00 0.00 0.00 0.00 46.02 44.94 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 -2.20 3.71 -0.31 4.61 0.00 -0.36 -4.95 121.76 122.27 2kss s ALA 42 Ca 0.00 -0.57 -0.18 0.00 0.00 0.00 0.00 51.96 51.21 2kss s ALA 42 Cb 0.00 -2.20 -0.01 0.00 0.00 0.00 0.00 23.12 20.91 2kss s ALA 42 CO 0.00 0.29 0.50 0.21 0.00 0.00 0.00 175.76 176.76 2kss s LYS 43 N -0.10 3.80 0.44 0.00 2.20 -1.26 -2.32 119.74 122.50 2kss s LYS 43 Ca 0.14 0.00 0.06 0.00 -0.36 0.00 0.00 55.97 55.81 2kss s LYS 43 Cb -0.12 -3.74 -0.04 0.00 -1.51 0.00 0.00 37.83 32.42 2kss s LYS 43 CO 0.02 -0.51 0.19 0.14 -0.36 0.00 0.00 175.35 174.83 2kss s VAL 44 N 2.33 2.11 -0.21 4.02 -7.23 -0.15 -3.88 120.40 117.38 2kss s VAL 44 Ca 0.19 -1.70 0.00 0.00 -1.81 0.00 0.00 61.98 58.66 2kss s VAL 44 Cb -0.16 -2.81 0.02 0.00 0.56 0.00 0.00 36.38 34.00 2kss s VAL 44 CO 0.12 0.00 -0.13 -0.75 -0.31 0.00 0.00 175.10 174.03 2kss s LYS 45 N -3.95 2.88 -0.19 4.82 2.20 -1.16 -2.25 119.74 122.08 2kss s LYS 45 Ca 0.37 -0.92 -0.29 0.00 -0.36 0.00 0.00 55.97 54.76 2kss s LYS 45 Cb 0.03 -2.78 -0.04 0.00 -1.51 0.00 0.00 37.83 33.53 2kss s LYS 45 CO 0.21 -0.31 1.72 0.08 -0.36 0.00 0.00 175.35 176.68 2kss s VAL 46 N 1.29 3.55 0.95 4.02 1.01 -0.38 -4.00 120.40 126.84 2kss s VAL 46 Ca 0.02 0.62 -0.12 0.00 0.00 0.00 0.00 61.98 62.49 2kss s VAL 46 Cb -0.15 -3.56 0.09 0.00 0.00 0.00 0.00 36.38 32.76 2kss s VAL 46 CO -0.08 -0.23 0.67 1.33 0.00 0.00 0.00 175.10 176.78 2kss n VAL 47 N 6.48 0.00 0.00 2.92 0.24 -1.26 -2.90 118.33 123.81 2kss n VAL 47 Ca 0.20 -0.14 -0.11 0.00 -2.04 0.00 0.00 64.34 62.26 2kss n VAL 47 Cb 0.45 -0.76 -0.09 0.00 -1.47 0.00 0.00 33.84 31.97 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 -0.11 -5.37 7.34 0.13 -1.91 -3.37 132.00 126.96 2kss h PRO 48 Ca -0.44 0.01 -0.67 0.00 -0.87 0.00 0.00 66.00 64.02 2kss h PRO 48 Cb 1.28 0.02 -0.30 0.00 0.13 0.00 0.00 31.00 32.13 2kss h PRO 48 CO 0.37 0.43 -0.83 -1.01 -0.23 0.00 0.00 178.00 176.73 2kss s HIS 49 N -3.02 2.65 0.87 1.56 3.76 -1.26 -4.82 115.29 115.03 2kss s HIS 49 Ca -0.13 -0.87 -0.12 0.00 -0.15 0.00 0.00 55.06 53.79 2kss s HIS 49 Cb -0.00 -1.76 0.12 0.00 1.11 0.00 0.00 32.58 32.05 2kss s HIS 49 CO 0.51 -0.32 1.10 0.45 -0.85 0.00 0.00 174.74 175.62 2kss s SER 50 N 0.31 3.72 -0.01 1.40 0.15 -1.26 -4.99 113.70 113.02 2kss s SER 50 Ca -0.15 1.40 0.06 0.00 0.70 0.00 0.00 55.95 57.97 2kss s SER 50 Cb -0.17 -2.09 -0.09 0.00 -1.71 0.00 0.00 66.02 61.96 2kss s SER 50 CO 0.07 -2.47 0.19 1.21 1.20 0.00 0.00 173.24 173.44 2kss n GLU 51 N -3.77 1.91 -0.02 5.44 2.13 -1.26 -4.80 120.64 120.28 2kss n GLU 51 Ca 0.07 -0.04 -0.02 0.00 0.66 0.00 0.00 57.16 57.83 2kss n GLU 51 Cb 0.56 -1.02 -0.01 0.00 0.27 0.00 0.00 31.44 31.24 2kss n GLU 51 CO 0.00 0.00 0.00 -3.47 -0.41 0.00 0.00 177.13 173.25 2kss n ASP 52 N -1.52 0.38 0.01 4.31 4.64 -1.26 -5.07 116.55 118.04 2kss n ASP 52 Ca -0.00 0.12 0.00 0.00 -1.38 0.00 0.00 54.79 53.52 2kss n ASP 52 Cb 0.14 -0.55 0.00 0.00 -1.04 0.00 0.00 41.12 39.67 2kss n ASP 52 CO 0.00 0.00 0.00 0.61 -0.82 0.00 0.00 177.20 176.99 2kss n GLY 53 N 1.54 -0.58 3.75 0.27 0.00 -1.26 -5.13 105.19 103.78 2kss n GLY 53 Ca -0.03 0.21 -0.42 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.41 1.80 -3.63 2.61 5.66 -1.26 -4.89 114.28 112.16 2kss n THR 54 Ca 0.00 -0.45 -0.05 0.00 -3.05 0.00 0.00 64.05 60.50 2kss n THR 54 Cb 0.00 -1.89 -0.02 0.00 -1.55 0.00 0.00 70.33 66.87 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 -0.89 0.00 -0.07 1.09 1.10 -1.26 -4.59 121.20 116.58 2kss s ILE 55 Ca 0.56 -0.30 -0.03 0.00 -0.51 0.00 0.00 60.65 60.37 2kss s ILE 55 Cb -0.50 -1.54 0.04 0.00 0.15 0.00 0.00 42.46 40.60 2kss s ILE 55 CO 0.61 0.00 0.06 -0.55 -2.11 0.00 0.00 174.94 172.95 2kss s SER 56 N -2.71 1.42 0.00 4.50 0.15 -1.26 -4.99 113.70 110.82 2kss s SER 56 Ca 0.10 -0.08 0.14 0.00 0.70 0.00 0.00 55.95 56.81 2kss s SER 56 Cb -0.00 -0.18 0.65 0.00 -1.71 0.00 0.00 66.02 64.77 2kss s SER 56 CO -0.03 -0.27 1.41 1.67 1.20 0.00 0.00 173.24 177.22 2kss n GLN 57 N 5.28 0.10 -0.05 5.44 -0.06 -1.26 -1.98 117.38 124.86 2kss n GLN 57 Ca -0.04 0.21 -0.18 0.00 -2.00 0.00 0.00 57.00 54.99 2kss n GLN 57 Cb 0.50 -1.50 -0.13 0.00 -4.06 0.00 0.00 30.24 25.05 2kss n GLN 57 CO 0.00 0.00 0.00 -0.09 -0.20 0.00 0.00 177.06 176.77 2kss h ARG 58 N 0.00 0.09 -0.53 3.69 2.43 -1.99 -3.31 114.38 114.75 2kss h ARG 58 Ca 0.00 -0.15 0.00 0.00 -0.81 0.00 0.00 59.98 59.02 2kss h ARG 58 Cb 0.18 0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.79 2kss h ARG 58 CO 0.00 1.07 0.00 1.19 -1.51 0.00 0.00 179.97 180.72 2kss n PHE 59 N -4.37 0.69 -1.68 2.20 3.72 -1.06 -4.84 117.46 112.12 2kss n PHE 59 Ca -0.19 -0.28 -0.25 0.00 -0.05 0.00 0.00 57.45 56.68 2kss n PHE 59 Cb 0.66 -0.12 -0.05 0.00 -0.94 0.00 0.00 39.48 39.03 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 -1.13 3.12 0.00 4.37 0.20 -0.84 -0.77 118.68 123.63 2kss s LEU 60 Ca 0.25 0.32 0.00 0.00 0.69 0.00 0.00 54.13 55.39 2kss s LEU 60 Cb 0.15 -2.53 0.00 0.00 -0.43 0.00 0.00 46.19 43.38 2kss s LEU 60 CO 0.13 -3.26 0.00 0.61 -0.29 0.00 0.00 176.35 173.54 2kss n GLY 61 N 6.44 1.10 3.83 7.98 0.00 -1.14 -4.93 105.19 118.47 2kss n GLY 61 Ca 0.40 -0.40 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.49 2.30 -0.17 1.61 2.00 0.05 -4.98 119.66 117.99 2kss s GLN 62 Ca 0.00 -1.87 -0.03 0.00 -2.00 0.00 0.00 55.36 51.46 2kss s GLN 62 Cb 0.00 -2.08 0.05 0.00 0.80 0.00 0.00 33.01 31.78 2kss s GLN 62 CO 0.00 -0.32 0.03 0.99 -0.50 0.00 0.00 175.29 175.49 2kss s THR 63 N -2.65 0.47 0.43 -0.34 2.01 -1.26 -1.25 115.64 113.05 2kss s THR 63 Ca 0.38 -0.39 0.03 0.00 0.31 0.00 0.00 61.69 62.02 2kss s THR 63 Cb 0.00 -0.90 -0.01 0.00 0.01 0.00 0.00 72.50 71.60 2kss s THR 63 CO 0.22 -0.10 0.12 0.61 -0.69 0.00 0.00 174.62 174.77 2kss n GLY 64 N 5.08 3.30 3.63 4.40 0.00 -0.95 -4.60 105.19 116.05 2kss n GLY 64 Ca -0.08 -2.17 -0.24 0.00 0.00 0.00 0.00 46.02 43.52 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 -3.04 3.43 -0.37 -0.61 1.01 -1.00 -0.98 121.20 119.64 2kss s ILE 65 Ca 0.16 -1.82 -0.25 0.00 0.00 0.00 0.00 60.65 58.74 2kss s ILE 65 Cb 0.01 -2.80 0.01 0.00 0.01 0.00 0.00 42.46 39.70 2kss s ILE 65 CO 0.12 -0.30 0.88 -0.69 0.00 0.00 0.00 174.94 174.94 2kss s VAL 66 N -2.16 4.63 0.05 2.92 1.01 -0.98 -1.62 120.40 124.25 2kss s VAL 66 Ca 0.30 1.07 -0.13 0.00 0.00 0.00 0.00 61.98 63.22 2kss s VAL 66 Cb -0.07 -4.30 -0.32 0.00 0.00 0.00 0.00 36.38 31.69 2kss s VAL 66 CO 0.19 -0.52 1.07 0.58 0.00 0.00 0.00 175.10 176.43 2kss h VAL 67 N 5.81 1.33 -3.99 2.92 2.07 -1.71 -3.32 116.25 119.35 2kss h VAL 67 Ca -0.24 -2.69 -0.41 0.00 0.82 0.00 0.00 66.70 64.19 2kss h VAL 67 Cb 1.08 2.89 -0.23 0.00 -1.52 0.00 0.00 31.29 33.51 2kss h VAL 67 CO 0.96 0.80 -0.78 -0.83 0.02 0.00 0.00 177.57 177.74 2kss s GLY 68 N -4.55 0.76 0.23 2.17 0.00 -1.26 -4.91 107.32 99.75 2kss s GLY 68 Ca -0.08 -0.85 0.07 0.00 0.00 0.00 0.00 44.72 43.86 2kss s GLY 68 CO 0.93 -0.85 0.10 -2.27 0.00 0.00 0.00 173.10 171.01 2kss s LEU 69 N -1.34 3.55 -0.53 0.66 0.20 -1.26 -3.23 118.68 116.72 2kss s LEU 69 Ca -0.01 -0.37 -0.22 0.00 0.69 0.00 0.00 54.13 54.23 2kss s LEU 69 Cb -0.09 -2.11 0.05 0.00 -0.43 0.00 0.00 46.19 43.61 2kss s LEU 69 CO 0.01 0.01 0.79 0.68 -0.29 0.00 0.00 176.35 177.56 2kss s VAL 70 N -2.06 4.61 0.25 1.68 -7.23 -1.26 -4.19 120.40 112.21 2kss s VAL 70 Ca 0.31 -0.09 0.01 0.00 -1.81 0.00 0.00 61.98 60.41 2kss s VAL 70 Cb -0.08 -4.43 -0.05 0.00 0.56 0.00 0.00 36.38 32.38 2kss s VAL 70 CO 0.22 -0.98 0.08 -0.36 -0.31 0.00 0.00 175.10 173.76 2kss s PHE 71 N 3.33 1.51 -0.63 2.82 0.08 -1.26 -4.81 117.98 119.02 2kss s PHE 71 Ca 0.23 -1.15 -0.38 0.00 0.12 0.00 0.00 56.93 55.76 2kss s PHE 71 Cb -0.16 -0.88 -0.18 0.00 -0.57 0.00 0.00 43.02 41.23 2kss s PHE 71 CO 0.16 -0.30 2.33 -0.40 -0.10 0.00 0.00 175.22 176.91 2kss n ASP 72 N -0.44 0.87 -4.62 1.36 5.75 -1.26 -4.78 116.55 113.43 2kss n ASP 72 Ca -0.01 0.43 -0.43 0.00 -0.01 0.00 0.00 54.79 54.78 2kss n ASP 72 Cb 0.66 -0.99 -0.03 0.00 -1.03 0.00 0.00 41.12 39.74 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 -0.11 0.00 0.00 177.20 178.60 2kss s ASP 73 N 7.40 6.29 0.29 -1.12 -4.77 -1.26 -4.76 116.67 118.73 2kss s ASP 73 Ca 1.23 1.48 0.00 0.00 -3.30 0.00 0.00 52.55 51.95 2kss s ASP 73 Cb -1.28 -2.53 0.00 0.00 -1.09 0.00 0.00 42.92 38.02 2kss s ASP 73 CO 0.57 -1.36 0.00 -0.81 0.70 0.00 0.00 175.17 174.27 2kss n PRO 74 N 7.84 0.56 0.00 2.11 -0.04 -1.26 -4.85 135.00 139.36 2kss n PRO 74 Ca 0.19 0.00 0.15 0.00 -0.04 0.00 0.00 63.50 63.80 2kss n PRO 74 Cb 0.46 0.00 0.70 0.00 -0.04 0.00 0.00 33.50 34.62 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 2.69 -0.79 0.55 0.00 -1.26 -3.17 120.51 115.53 2kss n ALA 75 Ca 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 53.44 53.19 2kss n ALA 75 Cb 0.00 -1.37 0.03 0.00 0.00 0.00 0.00 19.45 18.11 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 -0.80 0.72 -1.63 0.00 5.66 -1.26 -5.12 114.28 111.84 2kss n THR 76 Ca 0.18 -0.78 0.00 0.00 -3.05 0.00 0.00 64.05 60.39 2kss n THR 76 Cb 0.24 0.52 0.00 0.00 -1.55 0.00 0.00 70.33 69.54 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 -0.45 -4.40 -3.52 1.09 -0.06 -1.19 -5.05 117.38 103.80 2kss n GLN 77 Ca 0.03 3.37 -0.13 0.00 -2.00 0.00 0.00 57.00 58.28 2kss n GLN 77 Cb 0.46 -4.10 -0.04 0.00 -4.06 0.00 0.00 30.24 22.50 2kss n GLN 77 CO 0.00 0.00 0.00 -0.47 -0.20 0.00 0.00 177.06 176.39 2kss s TYR 78 N -4.95 -0.48 -0.07 3.69 6.14 -1.26 -4.72 117.35 115.69 2kss s TYR 78 Ca 0.00 0.68 -0.13 0.00 0.64 0.00 0.00 57.07 58.25 2kss s TYR 78 Cb 0.00 0.47 -0.09 0.00 0.42 0.00 0.00 41.96 42.76 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 2.53 -0.25 0.00 4.97 0.13 -1.92 -3.40 132.00 134.05 2kss h PRO 79 Ca -0.24 0.02 -0.06 0.00 -0.87 0.00 0.00 66.00 64.85 2kss h PRO 79 Cb 1.19 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.37 2kss h PRO 79 CO 0.35 -0.00 -1.26 -0.40 -0.23 0.00 0.00 178.00 176.46 2kss n ASP 80 N -4.94 4.03 -4.31 1.44 5.68 -1.26 -5.06 116.55 112.13 2kss n ASP 80 Ca -0.05 0.00 -0.16 0.00 -0.50 0.00 0.00 54.79 54.08 2kss n ASP 80 Cb 0.19 0.70 -0.10 0.00 -1.14 0.00 0.00 41.12 40.76 2kss n ASP 80 CO 0.00 0.00 0.00 -1.81 -1.33 0.00 0.00 177.20 174.06 2kss s ASP 81 N -3.32 1.58 -0.04 -1.12 1.01 -1.26 -5.07 116.67 108.45 2kss s ASP 81 Ca -0.02 -1.24 -0.24 0.00 0.71 0.00 0.00 52.55 51.77 2kss s ASP 81 Cb 0.01 0.06 -0.22 0.00 1.01 0.00 0.00 42.92 43.78 2kss s ASP 81 CO 0.16 -0.56 1.07 1.55 0.21 0.00 0.00 175.17 177.60 2kss h PRO 82 N 2.51 0.20 -5.98 8.23 0.13 -1.89 -3.39 132.00 131.80 2kss h PRO 82 Ca -0.38 -0.20 -0.56 0.00 -0.87 0.00 0.00 66.00 63.99 2kss h PRO 82 Cb 1.22 0.05 -0.05 0.00 0.13 0.00 0.00 31.00 32.35 2kss h PRO 82 CO 0.64 0.90 -0.34 -1.17 -0.23 0.00 0.00 178.00 177.80 2kss s LEU 83 N -8.58 2.90 0.39 1.56 2.96 -1.26 -4.41 118.68 112.23 2kss s LEU 83 Ca -0.15 -1.12 -0.24 0.00 -0.22 0.00 0.00 54.13 52.39 2kss s LEU 83 Cb 0.01 -1.40 -0.09 0.00 0.50 0.00 0.00 46.19 45.22 2kss s LEU 83 CO 0.75 -0.95 1.04 0.27 -1.32 0.00 0.00 176.35 176.14 2kss s ILE 84 N -2.69 3.75 0.01 6.68 -4.36 -1.26 -4.63 121.20 118.71 2kss s ILE 84 Ca 0.38 1.37 0.02 0.00 -0.26 0.00 0.00 60.65 62.16 2kss s ILE 84 Cb -0.02 -3.72 -0.01 0.00 1.25 0.00 0.00 42.46 39.96 2kss s ILE 84 CO 0.23 0.04 -0.07 0.00 0.24 0.00 0.00 174.94 175.38 2kss s GLN 85 N -2.41 0.50 -0.02 0.37 -2.07 -1.20 -2.24 119.66 112.59 2kss s GLN 85 Ca 0.56 -0.39 0.01 0.00 -1.82 0.00 0.00 55.36 53.73 2kss s GLN 85 Cb -0.22 -0.42 -0.03 0.00 -1.09 0.00 0.00 33.01 31.24 2kss s GLN 85 CO 0.28 0.11 -0.03 0.08 -1.32 0.00 0.00 175.29 174.40 2kss s VAL 86 N -0.52 3.94 -0.09 3.63 1.01 -0.02 -1.73 120.40 126.62 2kss s VAL 86 Ca -0.01 -0.58 -0.01 0.00 0.00 0.00 0.00 61.98 61.38 2kss s VAL 86 Cb -0.05 -2.70 0.03 0.00 0.00 0.00 0.00 36.38 33.66 2kss s VAL 86 CO 0.00 0.45 -0.04 -0.22 0.00 0.00 0.00 175.10 175.30 2kss s LEU 87 N -1.28 0.90 0.25 3.92 0.20 -0.64 -1.63 118.68 120.40 2kss s LEU 87 Ca 0.17 -0.18 -0.08 0.00 0.69 0.00 0.00 54.13 54.73 2kss s LEU 87 Cb -0.11 -0.61 -0.06 0.00 -0.43 0.00 0.00 46.19 44.97 2kss s LEU 87 CO 0.07 -0.15 0.55 -0.69 -0.29 0.00 0.00 176.35 175.84 2kss s VAL 88 N 1.77 4.97 -0.05 1.68 1.01 -1.05 -2.36 120.40 126.36 2kss s VAL 88 Ca 0.03 0.32 -0.30 0.00 0.00 0.00 0.00 61.98 62.03 2kss s VAL 88 Cb -0.13 -3.66 -0.05 0.00 0.00 0.00 0.00 36.38 32.54 2kss s VAL 88 CO -0.06 -0.17 1.57 -0.70 0.00 0.00 0.00 175.10 175.74 2kss s GLU 89 N -3.09 4.20 0.00 2.72 2.12 -1.26 -1.63 118.70 121.76 2kss s GLU 89 Ca 0.46 2.10 0.00 0.00 0.36 0.00 0.00 54.97 57.89 2kss s GLU 89 Cb -0.11 -3.87 0.00 0.00 0.26 0.00 0.00 34.13 30.41 2kss s GLU 89 CO 0.25 -0.78 0.00 0.41 -0.54 0.00 0.00 175.26 174.60 2kss n GLY 90 N 3.99 2.47 0.00 -1.50 0.00 -1.26 -4.98 105.19 103.90 2kss n GLY 90 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.18 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 -0.64 -5.15 117.00 116.52 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 -0.26 0.00 0.61 -1.22 0.00 0.00 177.39 176.52 2kss n GLY 92 N 5.00 1.89 3.12 -0.72 0.00 -1.26 -4.65 105.19 108.57 2kss n GLY 92 Ca 0.00 -1.85 -0.12 0.00 0.00 0.00 0.00 46.02 44.05 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 4.17 0.41 0.15 1.61 -1.05 -1.26 -2.53 118.70 120.20 2kss s GLU 93 Ca 0.00 -0.08 -0.01 0.00 -0.15 0.00 0.00 54.97 54.72 2kss s GLU 93 Cb 0.00 0.18 -0.04 0.00 -0.44 0.00 0.00 34.13 33.83 2kss s GLU 93 CO 0.00 -0.09 0.09 0.34 0.95 0.00 0.00 175.26 176.55 2kss s ASP 94 N -0.75 0.26 -0.16 0.83 -1.08 -0.64 -4.97 116.67 110.15 2kss s ASP 94 Ca -0.08 -1.24 -0.08 0.00 -0.52 0.00 0.00 52.55 50.63 2kss s ASP 94 Cb -0.05 0.32 -0.04 0.00 -1.46 0.00 0.00 42.92 41.69 2kss s ASP 94 CO 0.01 -0.77 0.10 -0.76 0.52 0.00 0.00 175.17 174.28 2kss s LEU 95 N -3.07 4.07 0.28 -1.34 2.01 -1.26 -0.84 118.68 118.52 2kss s LEU 95 Ca 0.28 0.23 0.02 0.00 0.01 0.00 0.00 54.13 54.67 2kss s LEU 95 Cb 0.07 -2.02 -0.05 0.00 0.01 0.00 0.00 46.19 44.20 2kss s LEU 95 CO 0.04 0.25 0.09 -0.36 1.01 0.00 0.00 176.35 177.39 2kss s PHE 96 N -0.08 1.64 0.26 0.29 0.08 -0.95 -4.81 117.98 114.41 2kss s PHE 96 Ca 0.08 -1.15 0.03 0.00 0.12 0.00 0.00 56.93 56.01 2kss s PHE 96 Cb -0.12 -0.99 -0.03 0.00 -0.57 0.00 0.00 43.02 41.31 2kss s PHE 96 CO 0.00 -0.27 0.42 -0.06 -0.10 0.00 0.00 175.22 175.21 2kss s PHE 97 N -3.64 3.47 -0.16 0.36 0.40 -1.26 -4.28 117.98 112.87 2kss s PHE 97 Ca 0.37 0.16 0.28 0.00 -0.60 0.00 0.00 56.93 57.14 2kss s PHE 97 Cb 0.08 -1.72 0.86 0.00 0.51 0.00 0.00 43.02 42.75 2kss s PHE 97 CO 0.14 0.34 1.80 -1.00 0.70 0.00 0.00 175.22 177.20 2kss h PRO 98 N 1.21 0.00 -0.21 0.24 0.13 -1.97 -2.67 132.00 128.73 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 0.63 0.00 0.00 -0.85 -0.23 0.00 0.00 178.00 177.55 2kss n GLU 99 N -3.10 2.39 -0.07 0.86 0.00 -1.26 -4.46 120.64 115.01 2kss n GLU 99 Ca 0.02 -2.06 -0.05 0.00 0.00 0.00 0.00 57.16 55.07 2kss n GLU 99 Cb 0.42 -1.49 -0.02 0.00 0.00 0.00 0.00 31.44 30.35 2kss n GLU 99 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 2kss n GLU 100 N 1.37 0.42 -3.67 3.44 1.02 -1.02 -4.90 120.64 117.30 2kss n GLU 100 Ca 0.17 0.37 -0.23 0.00 -0.02 0.00 0.00 57.16 57.45 2kss n GLU 100 Cb 0.59 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 2kss n GLU 100 CO 0.00 0.00 0.00 -0.48 1.18 0.00 0.00 177.13 177.83 2kss s LEU 101 N -7.67 4.17 0.34 -4.62 0.05 -1.15 -4.71 118.68 105.10 2kss s LEU 101 Ca -0.18 0.29 0.06 0.00 0.05 0.00 0.00 54.13 54.35 2kss s LEU 101 Cb 0.02 -3.11 -0.07 0.00 -2.05 0.00 0.00 46.19 40.99 2kss s LEU 101 CO 0.26 -0.17 0.01 -1.83 -0.55 0.00 0.00 176.35 174.07 2kss s GLU 102 N -4.05 1.74 -0.06 1.48 -1.05 -1.26 -4.80 118.70 110.71 2kss s GLU 102 Ca 0.37 -1.95 -0.30 0.00 -0.15 0.00 0.00 54.97 52.94 2kss s GLU 102 Cb -0.10 -1.24 -0.03 0.00 -0.44 0.00 0.00 34.13 32.33 2kss s GLU 102 CO 0.32 -0.07 1.12 -1.17 0.95 0.00 0.00 175.26 176.41 2kss s LEU 103 N -3.56 4.28 0.74 1.83 2.96 -1.26 -2.98 118.68 120.69 2kss s LEU 103 Ca 0.34 1.72 -0.15 0.00 -0.22 0.00 0.00 54.13 55.83 2kss s LEU 103 Cb 0.08 -3.56 0.04 0.00 0.50 0.00 0.00 46.19 43.25 2kss s LEU 103 CO 0.16 -0.50 1.23 0.00 -1.32 0.00 0.00 176.35 175.91 2kss s ALA 104 N 1.96 2.07 -0.07 5.97 0.00 -1.25 -4.91 121.76 125.53 2kss s ALA 104 Ca 0.53 0.96 -0.19 0.00 0.00 0.00 0.00 51.96 53.26 2kss s ALA 104 Cb -0.23 -3.50 -0.15 0.00 0.00 0.00 0.00 23.12 19.24 2kss s ALA 104 CO 0.22 -1.97 0.72 -1.00 0.00 0.00 0.00 175.76 173.73 2kss h PRO 105 N -0.31 -0.15 -0.03 0.00 0.13 -1.94 -3.50 132.00 126.20 2kss h PRO 105 Ca -0.48 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kss h PRO 105 Cb 1.31 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.47 2kss h PRO 105 CO 0.49 0.31 0.00 0.39 -0.23 0.00 0.00 178.00 178.96