#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 -0.24 1.12 1.10 -1.26 -5.15 121.20 116.77 2kss s ILE 22 Ca 0.00 0.00 -0.03 0.00 -0.51 0.00 0.00 60.65 60.11 2kss s ILE 22 Cb 0.00 -1.00 0.13 0.00 0.15 0.00 0.00 42.46 41.74 2kss s ILE 22 CO 0.00 0.00 0.38 -1.10 -2.11 0.00 0.00 174.94 172.11 2kss s GLN 23 N 0.01 0.35 -0.56 3.50 -1.52 -1.26 -5.09 119.66 115.09 2kss s GLN 23 Ca 0.03 0.55 0.04 0.00 -1.95 0.00 0.00 55.36 54.03 2kss s GLN 23 Cb -0.04 -0.46 0.14 0.00 -0.22 0.00 0.00 33.01 32.43 2kss s GLN 23 CO -0.06 -0.64 0.33 0.34 -0.25 0.00 0.00 175.29 175.02 2kss s ASP 24 N 2.55 4.24 0.63 5.90 3.68 -1.26 -5.10 116.67 127.30 2kss s ASP 24 Ca 0.13 -3.22 -0.14 0.00 2.13 0.00 0.00 52.55 51.45 2kss s ASP 24 Cb -0.15 -1.48 -0.02 0.00 -1.45 0.00 0.00 42.92 39.81 2kss s ASP 24 CO -0.16 -0.19 1.05 -2.16 0.13 0.00 0.00 175.17 173.85 2kss s PRO 25 N -0.54 3.23 -0.18 4.34 0.04 -1.26 -5.02 135.00 135.61 2kss s PRO 25 Ca 0.20 1.08 -0.15 0.00 0.04 0.00 0.00 61.00 62.18 2kss s PRO 25 Cb -0.18 -2.02 -0.10 0.00 0.04 0.00 0.00 34.50 32.24 2kss s PRO 25 CO -0.06 -0.88 -0.05 0.43 0.04 0.00 0.00 177.00 176.48 2kss n SER 26 N -2.42 1.85 -0.08 6.66 7.64 -1.26 -4.92 113.62 121.08 2kss n SER 26 Ca 0.08 0.51 0.00 0.00 1.01 0.00 0.00 58.87 60.47 2kss n SER 26 Cb 0.53 -0.90 0.00 0.00 -1.01 0.00 0.00 64.21 62.84 2kss n SER 26 CO 0.00 0.00 0.00 -0.11 -3.01 0.00 0.00 175.04 171.92 2kss n LEU 27 N -4.50 0.00 -4.79 -3.43 7.94 -1.26 -4.71 117.00 106.24 2kss n LEU 27 Ca -0.21 0.00 -0.36 0.00 -1.11 0.00 0.00 56.01 54.33 2kss n LEU 27 Cb 0.50 0.00 -0.05 0.00 0.53 0.00 0.00 43.42 44.39 2kss n LEU 27 CO 0.14 0.00 0.69 0.27 -1.11 0.00 0.00 177.39 177.38 2kss s ILE 28 N -0.00 4.03 0.08 1.96 -4.36 -1.26 -5.06 121.20 116.58 2kss s ILE 28 Ca 0.00 1.51 0.05 0.00 -0.26 0.00 0.00 60.65 61.95 2kss s ILE 28 Cb 0.00 -3.76 -0.03 0.00 1.25 0.00 0.00 42.46 39.92 2kss s ILE 28 CO 0.00 -0.03 -0.14 -0.63 0.24 0.00 0.00 174.94 174.38 2kss s ILE 29 N -1.77 1.12 0.10 8.37 1.01 -1.26 -5.15 121.20 123.62 2kss s ILE 29 Ca 0.57 -1.37 0.10 0.00 0.00 0.00 0.00 60.65 59.95 2kss s ILE 29 Cb -0.18 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.12 2kss s ILE 29 CO 0.23 -0.26 -0.25 0.00 0.00 0.00 0.00 174.94 174.66 2kss s HIS 31 N -1.00 1.25 0.23 0.00 3.76 -1.26 -5.03 115.29 113.24 2kss s HIS 31 Ca 0.14 -0.47 -0.31 0.00 -0.15 0.00 0.00 55.06 54.27 2kss s HIS 31 Cb -0.10 -2.81 -0.10 0.00 1.11 0.00 0.00 32.58 30.68 2kss s HIS 31 CO 0.06 -1.73 1.52 0.34 -0.85 0.00 0.00 174.74 174.08 2kss s ASP 32 N -4.78 6.57 0.20 1.40 2.15 -1.26 -4.96 116.67 115.98 2kss s ASP 32 Ca 0.67 2.71 -0.30 0.00 0.43 0.00 0.00 52.55 56.06 2kss s ASP 32 Cb -0.04 -2.61 -0.08 0.00 -0.30 0.00 0.00 42.92 39.88 2kss s ASP 32 CO 0.44 -0.79 0.97 0.54 -0.17 0.00 0.00 175.17 176.16 2kss s VAL 33 N 0.42 4.15 -0.26 1.11 0.11 -1.26 -5.01 120.40 119.65 2kss s VAL 33 Ca 0.64 2.01 -0.22 0.00 -2.93 0.00 0.00 61.98 61.49 2kss s VAL 33 Cb -0.44 -4.28 -0.01 0.00 -1.53 0.00 0.00 36.38 30.12 2kss s VAL 33 CO 0.40 0.42 0.72 -0.62 -3.33 0.00 0.00 175.10 172.68 2kss s ASP 34 N -0.73 6.67 0.00 3.54 -1.08 -1.26 -3.61 116.67 120.20 2kss s ASP 34 Ca 0.44 0.79 0.00 0.00 -0.52 0.00 0.00 52.55 53.26 2kss s ASP 34 Cb -0.26 -2.38 0.00 0.00 -1.46 0.00 0.00 42.92 38.82 2kss s ASP 34 CO 0.32 -0.46 0.00 0.61 0.52 0.00 0.00 175.17 176.17 2kss n GLY 35 N 4.04 0.93 3.07 2.66 0.00 -1.26 -5.11 105.19 109.53 2kss n GLY 35 Ca 0.02 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.33 -0.03 4.61 0.00 -1.24 -4.92 120.51 116.60 2kss n ALA 36 Ca 0.00 -1.10 -0.14 0.00 0.00 0.00 0.00 53.44 52.20 2kss n ALA 36 Cb 0.00 -0.98 -0.11 0.00 0.00 0.00 0.00 19.45 18.36 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 -2.10 0.10 -5.10 0.00 0.13 -1.92 -3.47 132.00 119.63 2kss h PRO 37 Ca -0.35 -0.10 -0.59 0.00 -0.87 0.00 0.00 66.00 64.10 2kss h PRO 37 Cb 1.01 0.03 -0.13 0.00 0.13 0.00 0.00 31.00 32.04 2kss h PRO 37 CO 0.22 0.82 -0.52 0.14 -0.23 0.00 0.00 178.00 178.44 2kss s VAL 38 N -3.26 0.80 0.42 1.56 -7.23 -1.26 -4.89 120.40 106.54 2kss s VAL 38 Ca -0.16 -2.00 0.07 0.00 -1.81 0.00 0.00 61.98 58.08 2kss s VAL 38 Cb 0.00 -2.34 -0.04 0.00 0.56 0.00 0.00 36.38 34.56 2kss s VAL 38 CO 0.71 0.00 0.23 -0.60 -0.31 0.00 0.00 175.10 175.14 2kss s ARG 39 N -3.76 2.30 -0.09 4.82 3.52 -1.26 -4.94 118.95 119.54 2kss s ARG 39 Ca 0.20 -1.78 -0.29 0.00 -0.13 0.00 0.00 55.73 53.73 2kss s ARG 39 Cb 0.03 -2.07 -0.02 0.00 -1.56 0.00 0.00 34.95 31.33 2kss s ARG 39 CO 0.12 -0.15 0.96 0.42 -0.81 0.00 0.00 175.30 175.83 2kss s ILE 40 N -2.58 4.83 0.00 4.11 -1.09 -1.26 -3.04 121.20 122.17 2kss s ILE 40 Ca 0.42 1.95 0.00 0.00 -2.23 0.00 0.00 60.65 60.79 2kss s ILE 40 Cb 0.02 -4.27 0.00 0.00 -1.58 0.00 0.00 42.46 36.63 2kss s ILE 40 CO 0.24 0.05 0.00 0.61 -1.23 0.00 0.00 174.94 174.61 2kss n GLY 41 N 3.11 0.39 3.76 6.18 0.00 -1.15 -4.97 105.19 112.52 2kss n GLY 41 Ca 0.07 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.69 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 3.34 -0.28 4.61 0.00 -1.17 -4.76 121.76 121.51 2kss s ALA 42 Ca 0.00 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 52.75 2kss s ALA 42 Cb 0.00 -3.36 -0.03 0.00 0.00 0.00 0.00 23.12 19.73 2kss s ALA 42 CO 0.00 -0.33 0.48 0.21 0.00 0.00 0.00 175.76 176.12 2kss s LYS 43 N -1.78 3.98 0.43 0.00 2.20 -1.26 -2.44 119.74 120.88 2kss s LYS 43 Ca 0.49 0.17 0.06 0.00 -0.36 0.00 0.00 55.97 56.33 2kss s LYS 43 Cb -0.32 -3.68 -0.06 0.00 -1.51 0.00 0.00 37.83 32.26 2kss s LYS 43 CO 0.42 -0.38 0.03 0.14 -0.36 0.00 0.00 175.35 175.20 2kss s VAL 44 N 2.26 1.84 -0.18 4.02 -7.23 -0.81 -3.87 120.40 116.43 2kss s VAL 44 Ca 0.19 -1.96 0.01 0.00 -1.81 0.00 0.00 61.98 58.41 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 0.10 0.00 -0.19 -0.75 -0.31 0.00 0.00 175.10 173.95 2kss s LYS 45 N -3.77 2.89 -0.05 4.82 2.20 -1.22 -2.80 119.74 121.81 2kss s LYS 45 Ca 0.29 -0.80 -0.30 0.00 -0.36 0.00 0.00 55.97 54.81 2kss s LYS 45 Cb 0.07 -2.51 -0.06 0.00 -1.51 0.00 0.00 37.83 33.83 2kss s LYS 45 CO 0.15 -0.22 1.65 0.08 -0.36 0.00 0.00 175.35 176.65 2kss s VAL 46 N 1.31 3.58 0.16 4.02 1.01 -1.07 -3.94 120.40 125.47 2kss s VAL 46 Ca 0.05 0.71 -0.31 0.00 0.00 0.00 0.00 61.98 62.43 2kss s VAL 46 Cb -0.13 -3.46 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 2kss s VAL 46 CO -0.13 -0.06 1.75 0.54 0.00 0.00 0.00 175.10 177.20 2kss s VAL 47 N 3.98 2.36 0.13 2.92 0.11 -1.26 -3.82 120.40 124.82 2kss s VAL 47 Ca 0.73 0.10 -0.06 0.00 -2.93 0.00 0.00 61.98 59.82 2kss s VAL 47 Cb -0.33 -3.06 -0.17 0.00 -1.53 0.00 0.00 36.38 31.29 2kss s VAL 47 CO 0.29 0.00 1.32 1.55 -3.33 0.00 0.00 175.10 174.94 2kss h PRO 48 N 7.68 0.48 -7.11 1.54 0.13 -1.91 -3.44 132.00 129.38 2kss h PRO 48 Ca -0.44 -0.47 -0.51 0.00 -0.87 0.00 0.00 66.00 63.70 2kss h PRO 48 Cb 1.21 0.12 0.09 0.00 0.13 0.00 0.00 31.00 32.56 2kss h PRO 48 CO 0.95 1.11 0.44 -1.58 -0.23 0.00 0.00 178.00 178.69 2kss s HIS 49 N -3.41 2.53 -0.33 1.56 2.46 -1.26 -4.89 115.29 111.94 2kss s HIS 49 Ca -0.07 1.54 0.03 0.00 0.47 0.00 0.00 55.06 57.03 2kss s HIS 49 Cb 0.09 -3.36 0.10 0.00 -0.13 0.00 0.00 32.58 29.28 2kss s HIS 49 CO 0.87 -1.88 0.05 0.45 -2.47 0.00 0.00 174.74 171.76 2kss s SER 50 N -1.80 4.66 -0.13 9.88 0.15 -1.26 -4.91 113.70 120.30 2kss s SER 50 Ca 0.74 -2.07 -0.02 0.00 0.70 0.00 0.00 55.95 55.30 2kss s SER 50 Cb -0.26 -1.53 -0.07 0.00 -1.71 0.00 0.00 66.02 62.44 2kss s SER 50 CO 0.32 -0.38 -0.13 1.21 1.20 0.00 0.00 173.24 175.45 2kss n GLU 51 N 4.33 0.31 0.28 5.44 2.13 -1.26 -4.75 120.64 127.12 2kss n GLU 51 Ca 0.03 0.09 -0.12 0.00 0.66 0.00 0.00 57.16 57.82 2kss n GLU 51 Cb 0.42 -1.15 -0.06 0.00 0.27 0.00 0.00 31.44 30.92 2kss n GLU 51 CO 0.00 0.00 0.00 0.22 -0.41 0.00 0.00 177.13 176.94 2kss h ASP 52 N -0.18 -0.71 0.00 4.31 -0.00 -1.96 -3.49 116.42 114.40 2kss h ASP 52 Ca -0.30 0.03 0.00 0.00 -0.00 0.00 0.00 57.03 56.76 2kss h ASP 52 Cb 1.39 0.20 0.00 0.00 -0.00 0.00 0.00 39.33 40.91 2kss h ASP 52 CO -0.10 -0.46 0.00 0.61 -0.00 0.00 0.00 179.24 179.28 2kss n GLY 53 N -1.38 -1.86 3.75 -0.78 0.00 -1.26 -5.13 105.19 98.53 2kss n GLY 53 Ca -0.09 0.63 -0.41 0.00 0.00 0.00 0.00 46.02 46.15 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 3.21 0.07 2.61 -1.32 -1.26 -4.98 115.64 113.97 2kss s THR 54 Ca 0.00 1.09 -0.11 0.00 -1.21 0.00 0.00 61.69 61.46 2kss s THR 54 Cb 0.00 -3.70 0.01 0.00 -1.51 0.00 0.00 72.50 67.30 2kss s THR 54 CO 0.00 0.21 0.24 -0.63 -2.21 0.00 0.00 174.62 172.23 2kss s ILE 55 N -0.49 0.11 -0.38 5.08 -1.09 -1.26 -4.98 121.20 118.19 2kss s ILE 55 Ca 0.52 -0.91 -0.12 0.00 -2.23 0.00 0.00 60.65 57.91 2kss s ILE 55 Cb -0.36 -1.09 0.02 0.00 -1.58 0.00 0.00 42.46 39.45 2kss s ILE 55 CO 0.42 -0.50 0.24 -0.55 -1.23 0.00 0.00 174.94 173.32 2kss s SER 56 N -2.41 5.88 0.48 3.58 0.15 -1.26 -4.92 113.70 115.19 2kss s SER 56 Ca -0.01 -0.90 0.31 0.00 0.70 0.00 0.00 55.95 56.05 2kss s SER 56 Cb 0.01 -2.08 1.26 0.00 -1.71 0.00 0.00 66.02 63.51 2kss s SER 56 CO -0.07 -0.39 1.91 -0.61 1.20 0.00 0.00 173.24 175.29 2kss h GLN 57 N 8.50 0.00 0.00 5.44 4.15 -1.97 -1.73 115.11 129.50 2kss h GLN 57 Ca -0.27 0.00 -0.05 0.00 0.77 0.00 0.00 58.65 59.10 2kss h GLN 57 Cb 1.11 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.81 2kss h GLN 57 CO 0.69 0.00 -0.21 -0.09 -1.93 0.00 0.00 178.83 177.28 2kss h ARG 58 N 0.00 0.14 -0.30 1.69 2.43 -2.03 -3.20 114.38 113.10 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 0.48 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 30.08 2kss h ARG 58 CO 0.00 0.91 0.00 1.19 -1.51 0.00 0.00 179.97 180.56 2kss n PHE 59 N -4.53 0.36 -1.53 2.20 3.72 -1.14 -4.86 117.46 111.68 2kss n PHE 59 Ca -0.10 -0.17 -0.38 0.00 -0.05 0.00 0.00 57.45 56.75 2kss n PHE 59 Cb 0.49 -0.02 -0.06 0.00 -0.94 0.00 0.00 39.48 38.95 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 0.23 1.76 -0.25 4.37 7.94 -0.66 0.67 117.00 131.06 2kss n LEU 60 Ca 0.08 -0.31 0.00 0.00 -1.11 0.00 0.00 56.01 54.68 2kss n LEU 60 Cb 0.24 -1.40 0.00 0.00 0.53 0.00 0.00 43.42 42.79 2kss n LEU 60 CO 0.06 -1.33 0.00 0.61 -1.11 0.00 0.00 177.39 175.62 2kss n GLY 61 N 6.15 0.72 3.38 -3.96 0.00 -1.25 -4.97 105.19 105.26 2kss n GLY 61 Ca 0.45 -0.74 -0.21 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.72 0.74 -3.68 1.61 -0.06 0.21 -5.00 117.38 110.48 2kss n GLN 62 Ca 0.00 -2.94 -0.12 0.00 -2.00 0.00 0.00 57.00 51.94 2kss n GLN 62 Cb 0.47 0.15 -0.12 0.00 -4.06 0.00 0.00 30.24 26.68 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 -2.33 -0.33 0.00 1.69 2.01 -1.26 -2.58 115.64 112.84 2kss s THR 63 Ca 0.36 0.22 0.00 0.00 0.31 0.00 0.00 61.69 62.57 2kss s THR 63 Cb -0.03 -0.48 0.00 0.00 0.01 0.00 0.00 72.50 72.00 2kss s THR 63 CO 0.23 0.09 0.00 0.61 -0.69 0.00 0.00 174.62 174.86 2kss n GLY 64 N 5.01 5.40 3.22 4.40 0.00 -1.12 -4.43 105.19 117.67 2kss n GLY 64 Ca -0.12 -1.56 -0.18 0.00 0.00 0.00 0.00 46.02 44.16 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 -0.83 1.26 -0.08 -0.61 1.01 -0.95 -1.93 121.20 119.06 2kss s ILE 65 Ca 0.00 -1.64 -0.29 0.00 0.00 0.00 0.00 60.65 58.72 2kss s ILE 65 Cb 0.00 -1.44 -0.02 0.00 0.01 0.00 0.00 42.46 41.01 2kss s ILE 65 CO 0.00 -0.39 0.97 -0.69 0.00 0.00 0.00 174.94 174.82 2kss s VAL 66 N -2.01 4.83 0.04 2.92 1.01 -1.02 -1.92 120.40 124.24 2kss s VAL 66 Ca 0.07 1.98 -0.17 0.00 0.00 0.00 0.00 61.98 63.86 2kss s VAL 66 Cb -0.06 -4.29 -0.24 0.00 0.00 0.00 0.00 36.38 31.80 2kss s VAL 66 CO 0.03 0.07 1.14 0.58 0.00 0.00 0.00 175.10 176.91 2kss h VAL 67 N 5.00 1.35 0.00 2.92 2.07 -1.76 -3.04 116.25 122.78 2kss h VAL 67 Ca -0.34 -2.19 0.00 0.00 0.82 0.00 0.00 66.70 64.99 2kss h VAL 67 Cb 1.17 2.50 0.00 0.00 -1.52 0.00 0.00 31.29 33.44 2kss h VAL 67 CO 0.82 0.66 0.00 0.61 0.02 0.00 0.00 177.57 179.68 2kss n GLY 68 N 1.10 5.40 3.51 2.17 0.00 -1.26 -4.83 105.19 111.28 2kss n GLY 68 Ca -0.11 -1.04 -0.15 0.00 0.00 0.00 0.00 46.02 44.72 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 -0.57 -0.66 0.99 0.20 -1.26 -4.71 118.68 112.67 2kss s LEU 69 Ca 0.00 0.49 -0.27 0.00 0.69 0.00 0.00 54.13 55.04 2kss s LEU 69 Cb 0.00 2.40 0.03 0.00 -0.43 0.00 0.00 46.19 48.19 2kss s LEU 69 CO 0.00 -0.62 1.21 0.68 -0.29 0.00 0.00 176.35 177.32 2kss s VAL 70 N -1.74 3.91 0.10 1.68 -7.23 -1.26 -4.02 120.40 111.84 2kss s VAL 70 Ca -0.06 0.55 0.01 0.00 -1.81 0.00 0.00 61.98 60.67 2kss s VAL 70 Cb -0.00 -4.81 -0.04 0.00 0.56 0.00 0.00 36.38 32.09 2kss s VAL 70 CO 0.03 -1.59 -0.06 0.12 -0.31 0.00 0.00 175.10 173.30 2kss s PHE 71 N 5.22 0.86 -0.65 2.82 2.19 -1.26 -4.90 117.98 122.26 2kss s PHE 71 Ca 0.37 -0.94 -0.37 0.00 0.33 0.00 0.00 56.93 56.31 2kss s PHE 71 Cb -0.09 -0.51 -0.18 0.00 -1.31 0.00 0.00 43.02 40.93 2kss s PHE 71 CO 0.19 -0.18 2.35 -0.25 1.83 0.00 0.00 175.22 179.16 2kss n ASP 72 N -0.03 0.89 -4.63 6.13 9.92 -1.26 -4.78 116.55 122.79 2kss n ASP 72 Ca -0.12 0.40 -0.43 0.00 -0.53 0.00 0.00 54.79 54.11 2kss n ASP 72 Cb 0.61 -1.00 -0.02 0.00 -0.64 0.00 0.00 41.12 40.07 2kss n ASP 72 CO 0.00 0.00 0.00 1.51 0.13 0.00 0.00 177.20 178.84 2kss s ASP 73 N 7.56 6.71 0.24 -2.24 -4.77 -1.26 -4.67 116.67 118.23 2kss s ASP 73 Ca 1.23 1.03 0.00 0.00 -3.30 0.00 0.00 52.55 51.50 2kss s ASP 73 Cb -1.25 -2.54 0.00 0.00 -1.09 0.00 0.00 42.92 38.04 2kss s ASP 73 CO 0.55 -1.08 0.00 -0.81 0.70 0.00 0.00 175.17 174.53 2kss n PRO 74 N 7.34 0.65 0.00 2.11 -0.04 -1.26 -4.73 135.00 139.07 2kss n PRO 74 Ca 0.14 0.00 0.11 0.00 -0.04 0.00 0.00 63.50 63.71 2kss n PRO 74 Cb 0.47 0.00 0.58 0.00 -0.04 0.00 0.00 33.50 34.51 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 2.17 -0.01 0.55 0.00 -1.26 -2.16 120.51 116.81 2kss n ALA 75 Ca 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.33 2kss n ALA 75 Cb 0.00 -1.36 0.00 0.00 0.00 0.00 0.00 19.45 18.09 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 -1.22 0.00 -0.89 0.00 5.66 -1.26 -5.12 114.28 111.44 2kss n THR 76 Ca 0.12 -0.48 0.00 0.00 -3.05 0.00 0.00 64.05 60.63 2kss n THR 76 Cb 0.15 1.01 0.00 0.00 -1.55 0.00 0.00 70.33 69.94 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 -0.60 -2.41 -3.49 1.09 7.27 -0.92 -5.06 117.38 113.26 2kss n GLN 77 Ca 0.00 1.84 -0.15 0.00 0.07 0.00 0.00 57.00 58.77 2kss n GLN 77 Cb 0.00 -2.23 -0.04 0.00 2.41 0.00 0.00 30.24 30.38 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 -4.20 -0.56 -0.06 3.69 6.14 -1.26 -4.70 117.35 116.39 2kss s TYR 78 Ca 0.00 0.76 -0.13 0.00 0.64 0.00 0.00 57.07 58.33 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 -0.65 0.53 -1.00 0.64 0.00 0.00 175.55 175.07 2kss h PRO 79 N 2.56 -0.26 0.00 4.97 0.13 -1.89 -3.39 132.00 134.12 2kss h PRO 79 Ca -0.28 0.02 -0.04 0.00 -0.87 0.00 0.00 66.00 64.83 2kss h PRO 79 Cb 1.20 0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.38 2kss h PRO 79 CO 0.37 -0.02 -1.19 -0.40 -0.23 0.00 0.00 178.00 176.53 2kss n ASP 80 N -4.95 4.27 -4.34 1.44 5.68 -1.26 -5.06 116.55 112.33 2kss n ASP 80 Ca -0.05 0.00 -0.17 0.00 -0.50 0.00 0.00 54.79 54.06 2kss n ASP 80 Cb 0.18 0.67 -0.10 0.00 -1.14 0.00 0.00 41.12 40.73 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 -3.20 1.66 0.19 -1.12 -0.00 -1.26 -5.05 116.67 107.88 2kss s ASP 81 Ca -0.01 -1.29 0.04 0.00 -0.00 0.00 0.00 52.55 51.28 2kss s ASP 81 Cb 0.01 0.05 0.07 0.00 -0.00 0.00 0.00 42.92 43.06 2kss s ASP 81 CO 0.12 -0.60 1.43 1.55 -0.00 0.00 0.00 175.17 177.68 2kss h PRO 82 N 2.41 0.18 -5.06 8.23 0.13 -1.90 -3.39 132.00 132.61 2kss h PRO 82 Ca -0.38 -0.18 -0.54 0.00 -0.87 0.00 0.00 66.00 64.03 2kss h PRO 82 Cb 1.23 0.05 -0.13 0.00 0.13 0.00 0.00 31.00 32.27 2kss h PRO 82 CO 0.64 0.89 -0.53 -0.48 -0.23 0.00 0.00 178.00 178.28 2kss s LEU 83 N -7.54 2.00 0.38 1.56 2.34 -1.26 -4.34 118.68 111.83 2kss s LEU 83 Ca -0.03 -1.62 -0.25 0.00 0.06 0.00 0.00 54.13 52.30 2kss s LEU 83 Cb 0.11 -0.14 -0.09 0.00 -0.56 0.00 0.00 46.19 45.51 2kss s LEU 83 CO 0.82 -0.88 1.06 0.27 -1.06 0.00 0.00 176.35 176.56 2kss s ILE 84 N -3.25 3.67 -0.04 1.48 -4.36 -1.26 -4.62 121.20 112.83 2kss s ILE 84 Ca 0.26 1.33 0.02 0.00 -0.26 0.00 0.00 60.65 62.00 2kss s ILE 84 Cb 0.04 -3.71 0.01 0.00 1.25 0.00 0.00 42.46 40.05 2kss s ILE 84 CO 0.15 0.06 -0.08 0.00 0.24 0.00 0.00 174.94 175.30 2kss s GLN 85 N -2.36 1.03 -0.15 0.37 -2.07 -1.26 -1.90 119.66 113.33 2kss s GLN 85 Ca 0.56 -0.25 -0.09 0.00 -1.82 0.00 0.00 55.36 53.76 2kss s GLN 85 Cb -0.24 -0.95 -0.04 0.00 -1.09 0.00 0.00 33.01 30.69 2kss s GLN 85 CO 0.30 0.03 0.15 0.08 -1.32 0.00 0.00 175.29 174.53 2kss s VAL 86 N 0.52 5.45 -0.15 3.63 1.01 0.45 -1.99 120.40 129.31 2kss s VAL 86 Ca -0.08 0.24 -0.00 0.00 0.00 0.00 0.00 61.98 62.14 2kss s VAL 86 Cb -0.12 -3.45 0.03 0.00 0.00 0.00 0.00 36.38 32.85 2kss s VAL 86 CO 0.01 0.55 -0.09 -0.22 0.00 0.00 0.00 175.10 175.35 2kss s LEU 87 N -0.48 1.60 0.29 3.92 0.20 -0.81 -1.74 118.68 121.67 2kss s LEU 87 Ca 0.13 -0.55 -0.10 0.00 0.69 0.00 0.00 54.13 54.30 2kss s LEU 87 Cb -0.12 -1.00 -0.07 0.00 -0.43 0.00 0.00 46.19 44.57 2kss s LEU 87 CO 0.02 -0.13 0.63 -0.69 -0.29 0.00 0.00 176.35 175.89 2kss s VAL 88 N 1.59 4.87 0.01 1.68 1.01 -1.11 -2.25 120.40 126.19 2kss s VAL 88 Ca 0.03 0.53 -0.30 0.00 0.00 0.00 0.00 61.98 62.24 2kss s VAL 88 Cb -0.14 -3.65 -0.05 0.00 0.00 0.00 0.00 36.38 32.53 2kss s VAL 88 CO -0.09 -0.21 1.37 -1.61 0.00 0.00 0.00 175.10 174.56 2kss s GLU 89 N -3.15 4.30 0.00 2.72 2.02 -1.26 -2.01 118.70 121.32 2kss s GLU 89 Ca 0.49 1.93 0.00 0.00 0.02 0.00 0.00 54.97 57.41 2kss s GLU 89 Cb -0.11 -3.53 0.00 0.00 0.10 0.00 0.00 34.13 30.59 2kss s GLU 89 CO 0.23 -0.53 0.00 0.41 0.02 0.00 0.00 175.26 175.39 2kss n GLY 90 N 3.58 2.06 0.00 -1.39 0.00 -1.26 -4.97 105.19 103.21 2kss n GLY 90 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 4.77 -0.85 -5.16 117.00 116.75 2kss n LEU 91 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 2kss n LEU 91 Cb 0.00 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.09 2kss n LEU 91 CO 0.00 -0.16 0.00 0.61 -1.33 0.00 0.00 177.39 176.51 2kss n GLY 92 N 5.00 1.72 2.94 -0.72 0.00 -1.26 -4.70 105.19 108.17 2kss n GLY 92 Ca 0.00 -1.88 -0.11 0.00 0.00 0.00 0.00 46.02 44.03 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 3.26 0.16 0.12 1.61 -1.05 -1.26 -2.77 118.70 118.77 2kss s GLU 93 Ca 0.00 -0.25 -0.05 0.00 -0.15 0.00 0.00 54.97 54.52 2kss s GLU 93 Cb 0.00 0.06 -0.02 0.00 -0.44 0.00 0.00 34.13 33.73 2kss s GLU 93 CO 0.00 -0.03 0.14 0.34 0.95 0.00 0.00 175.26 176.66 2kss s ASP 94 N -0.65 0.22 -0.20 0.83 -1.08 -0.71 -4.99 116.67 110.08 2kss s ASP 94 Ca -0.07 -0.98 -0.08 0.00 -0.52 0.00 0.00 52.55 50.90 2kss s ASP 94 Cb -0.04 0.33 -0.04 0.00 -1.46 0.00 0.00 42.92 41.71 2kss s ASP 94 CO -0.00 -0.76 0.08 -0.76 0.52 0.00 0.00 175.17 174.24 2kss s LEU 95 N -2.97 3.83 0.33 -1.34 1.43 -1.26 -0.41 118.68 118.29 2kss s LEU 95 Ca 0.16 0.07 0.08 0.00 -1.03 0.00 0.00 54.13 53.41 2kss s LEU 95 Cb 0.06 -1.98 -0.06 0.00 0.03 0.00 0.00 46.19 44.23 2kss s LEU 95 CO -0.03 0.14 -0.06 -0.36 0.23 0.00 0.00 176.35 176.27 2kss s PHE 96 N 0.56 2.24 0.43 0.29 0.08 -0.80 -4.97 117.98 115.81 2kss s PHE 96 Ca 0.04 -0.61 -0.06 0.00 0.12 0.00 0.00 56.93 56.42 2kss s PHE 96 Cb -0.13 -1.33 -0.04 0.00 -0.57 0.00 0.00 43.02 40.95 2kss s PHE 96 CO 0.01 0.44 0.74 -0.06 -0.10 0.00 0.00 175.22 176.24 2kss s PHE 97 N -2.79 3.53 -0.04 0.36 0.40 -1.26 -4.21 117.98 113.97 2kss s PHE 97 Ca 0.32 0.80 0.22 0.00 -0.60 0.00 0.00 56.93 57.67 2kss s PHE 97 Cb 0.04 -2.27 0.63 0.00 0.51 0.00 0.00 43.02 41.93 2kss s PHE 97 CO 0.15 -0.16 1.70 -1.00 0.70 0.00 0.00 175.22 176.61 2kss h PRO 98 N 0.64 0.00 -0.03 0.24 0.13 -1.96 -2.80 132.00 128.22 2kss h PRO 98 Ca -0.47 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.66 2kss h PRO 98 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 2kss h PRO 98 CO 0.63 0.25 -0.05 -0.85 -0.23 0.00 0.00 178.00 177.74 2kss n GLU 99 N -3.28 2.09 -0.03 0.86 0.28 -1.26 -4.47 120.64 114.84 2kss n GLU 99 Ca 0.01 -1.66 -0.01 0.00 -0.16 0.00 0.00 57.16 55.34 2kss n GLU 99 Cb 0.52 -1.47 -0.00 0.00 1.43 0.00 0.00 31.44 31.92 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 4.06 0.00 -6.56 3.44 4.39 -1.89 -3.48 114.58 114.54 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 0.89 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 29.56 2kss h GLU 100 CO 0.00 0.00 -0.19 -0.48 -1.16 0.00 0.00 179.01 177.18 2kss s LEU 101 N -6.12 3.64 0.34 1.33 0.05 -1.20 -4.63 118.68 112.09 2kss s LEU 101 Ca -0.03 -0.13 0.06 0.00 0.05 0.00 0.00 54.13 54.07 2kss s LEU 101 Cb 0.00 -2.83 -0.07 0.00 -2.05 0.00 0.00 46.19 41.25 2kss s LEU 101 CO 0.05 -0.76 0.01 -1.83 -0.55 0.00 0.00 176.35 173.27 2kss s GLU 102 N -4.45 1.71 -0.46 1.48 -1.05 -1.25 -4.82 118.70 109.86 2kss s GLU 102 Ca 0.52 -1.93 -0.29 0.00 -0.15 0.00 0.00 54.97 53.12 2kss s GLU 102 Cb -0.10 -1.18 0.02 0.00 -0.44 0.00 0.00 34.13 32.43 2kss s GLU 102 CO 0.35 -0.08 1.28 -1.17 0.95 0.00 0.00 175.26 176.59 2kss s LEU 103 N -3.54 3.58 0.42 1.83 2.96 -1.26 -3.38 118.68 119.30 2kss s LEU 103 Ca 0.34 0.59 -0.22 0.00 -0.22 0.00 0.00 54.13 54.61 2kss s LEU 103 Cb 0.07 -3.49 -0.13 0.00 0.50 0.00 0.00 46.19 43.15 2kss s LEU 103 CO 0.15 -1.38 0.55 0.00 -1.32 0.00 0.00 176.35 174.35 2kss n ALA 104 N 8.44 -1.48 0.02 5.97 0.00 -1.25 -4.92 120.51 127.29 2kss n ALA 104 Ca 0.14 0.16 -0.10 0.00 0.00 0.00 0.00 53.44 53.64 2kss n ALA 104 Cb 0.49 -1.78 -0.08 0.00 0.00 0.00 0.00 19.45 18.08 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 0.81 -0.14 0.00 0.00 0.13 -1.93 -3.49 132.00 127.38 2kss h PRO 105 Ca -0.40 0.01 0.00 0.00 -0.87 0.00 0.00 66.00 64.74 2kss h PRO 105 Cb 1.40 0.03 0.00 0.00 0.13 0.00 0.00 31.00 32.56 2kss h PRO 105 CO 0.52 0.34 0.00 -1.91 -0.23 0.00 0.00 178.00 176.71