#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2kum s LEU 2 N 0.00 3.59 -0.25 -2.13 2.96 -1.26 -4.60 118.68 116.99 2kum s LEU 2 Ca 0.00 0.67 -0.29 0.00 -0.22 0.00 0.00 54.13 54.30 2kum s LEU 2 Cb 0.00 -3.52 -0.03 0.00 0.50 0.00 0.00 46.19 43.14 2kum s LEU 2 CO 0.00 -1.39 1.81 -0.76 -1.32 0.00 0.00 176.35 174.69 2kum s LEU 3 N 5.14 3.70 0.17 -0.68 2.01 -0.59 -4.88 118.68 123.55 2kum s LEU 3 Ca 0.56 1.60 -0.33 0.00 0.01 0.00 0.00 54.13 55.97 2kum s LEU 3 Cb -0.11 -3.53 -0.13 0.00 0.01 0.00 0.00 46.19 42.43 2kum s LEU 3 CO 0.32 -1.54 1.61 -2.65 1.01 0.00 0.00 176.35 175.11 2kum n PRO 4 N 8.14 2.31 -1.73 1.29 -0.02 -1.26 -4.49 135.00 139.25 2kum n PRO 4 Ca 0.22 0.83 -0.42 0.00 -2.02 0.00 0.00 63.50 62.12 2kum n PRO 4 Cb 0.45 -2.62 -0.03 0.00 -0.02 0.00 0.00 33.50 31.28 2kum n PRO 4 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 2kum s PRO 5 N 0.97 4.12 -0.16 0.52 0.02 -1.26 -1.41 135.00 137.80 2kum s PRO 5 Ca 0.78 2.61 0.00 0.00 0.02 0.00 0.00 61.00 64.41 2kum s PRO 5 Cb -0.63 -3.07 0.00 0.00 0.02 0.00 0.00 34.50 30.82 2kum s PRO 5 CO 0.36 -0.75 0.00 0.45 -0.33 0.00 0.00 177.00 176.73 2kum n SER 6 N 3.88 -4.38 -3.77 2.53 2.88 -1.26 -4.93 113.62 108.57 2kum n SER 6 Ca 0.16 0.04 -0.28 0.00 -1.33 0.00 0.00 58.87 57.45 2kum n SER 6 Cb 0.35 -2.01 -0.12 0.00 -0.75 0.00 0.00 64.21 61.69 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -1.23 0.00 0.00 175.04 172.92 2kum s THR 7 N -1.66 2.20 -0.57 2.46 2.01 -0.50 -5.04 115.64 114.55 2kum s THR 7 Ca 0.00 -3.77 0.04 0.00 0.31 0.00 0.00 61.69 58.27 2kum s THR 7 Cb 0.00 -2.46 0.14 0.00 0.01 0.00 0.00 72.50 70.19 2kum s THR 7 CO 0.00 -1.05 0.32 0.00 -0.69 0.00 0.00 174.62 173.20 2kum s ALA 8 N -0.96 3.44 -0.37 7.40 0.00 -1.26 -4.37 121.76 125.64 2kum s ALA 8 Ca 0.26 -3.41 0.13 0.00 0.00 0.00 0.00 51.96 48.94 2kum s ALA 8 Cb -0.04 -2.18 0.44 0.00 0.00 0.00 0.00 23.12 21.34 2kum s ALA 8 CO -0.16 -2.04 1.02 0.00 0.00 0.00 0.00 175.76 174.58 2kum n THR 11 N 1.14 0.69 -3.48 0.00 5.66 -1.26 -4.95 114.28 112.08 2kum n THR 11 Ca 0.09 -0.78 -0.26 0.00 -3.05 0.00 0.00 64.05 60.05 2kum n THR 11 Cb 0.32 0.43 -0.13 0.00 -1.55 0.00 0.00 70.33 69.41 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 2kum s GLN 12 N -0.94 0.38 0.09 1.09 1.03 -1.26 -5.13 119.66 114.92 2kum s GLN 12 Ca 0.08 -0.82 -0.27 0.00 0.04 0.00 0.00 55.36 54.39 2kum s GLN 12 Cb 0.07 -1.11 -0.06 0.00 0.03 0.00 0.00 33.01 31.94 2kum s GLN 12 CO 0.01 -1.11 0.83 -0.51 -2.54 0.00 0.00 175.29 171.97 2kum s LEU 13 N 1.67 4.49 0.11 2.60 1.43 -1.26 -4.73 118.68 122.99 2kum s LEU 13 Ca 0.13 1.60 -0.18 0.00 -1.03 0.00 0.00 54.13 54.65 2kum s LEU 13 Cb -0.18 -3.36 -0.05 0.00 0.03 0.00 0.00 46.19 42.62 2kum s LEU 13 CO -0.19 0.02 1.67 0.22 0.23 0.00 0.00 176.35 178.30 2kum h TYR 14 N 5.40 0.41 0.00 0.29 3.20 -0.87 -3.46 116.97 121.93 2kum h TYR 14 Ca -0.44 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 61.40 2kum h TYR 14 Cb 1.21 -0.12 0.00 0.00 1.54 0.00 0.00 36.73 39.35 2kum h TYR 14 CO 0.65 0.39 0.00 0.54 -1.64 0.00 0.00 178.16 178.10 2kum n ARG 15 N -4.78 0.00 -1.90 1.82 1.74 -1.26 -4.94 116.66 107.34 2kum n ARG 15 Ca -0.02 0.00 -0.42 0.00 -0.77 0.00 0.00 57.85 56.64 2kum n ARG 15 Cb 0.12 -0.07 -0.03 0.00 -1.02 0.00 0.00 32.46 31.46 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -1.52 0.00 0.00 177.63 176.26 2kum s LYS 16 N 0.00 4.20 -0.04 5.56 3.01 -1.26 -4.92 119.74 126.29 2kum s LYS 16 Ca 0.00 2.40 -0.29 0.00 -1.01 0.00 0.00 55.97 57.07 2kum s LYS 16 Cb 0.00 -3.15 -0.08 0.00 -1.01 0.00 0.00 37.83 33.59 2kum s LYS 16 CO 0.00 -0.63 2.05 -2.30 0.51 0.00 0.00 175.35 174.98 2kum n PRO 17 N 4.00 2.59 -2.31 -1.68 -0.02 -1.26 -4.94 135.00 131.38 2kum n PRO 17 Ca 0.14 0.89 -0.41 0.00 -2.02 0.00 0.00 63.50 62.11 2kum n PRO 17 Cb 0.38 -3.08 -0.03 0.00 -0.02 0.00 0.00 33.50 30.75 2kum n PRO 17 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 2kum s LEU 18 N 5.65 4.48 0.29 2.45 1.43 -1.26 -4.99 118.68 126.74 2kum s LEU 18 Ca 0.93 2.41 -0.29 0.00 -1.03 0.00 0.00 54.13 56.15 2kum s LEU 18 Cb -0.41 -3.63 -0.09 0.00 0.03 0.00 0.00 46.19 42.09 2kum s LEU 18 CO 0.40 -0.35 1.10 -0.44 0.23 0.00 0.00 176.35 177.29 2kum s SER 19 N -0.45 7.19 0.41 2.29 0.01 -1.26 -4.90 113.70 117.00 2kum s SER 19 Ca 0.49 2.26 0.13 0.00 1.31 0.00 0.00 55.95 60.14 2kum s SER 19 Cb -0.35 -2.62 0.98 0.00 0.21 0.00 0.00 66.02 64.23 2kum s SER 19 CO 0.44 -0.20 1.94 -0.78 0.41 0.00 0.00 173.24 175.05 2kum h ASP 20 N 3.66 0.45 -0.44 2.44 1.82 -1.97 -0.37 116.42 122.00 2kum h ASP 20 Ca -0.47 0.02 0.04 0.00 -0.39 0.00 0.00 57.03 56.23 2kum h ASP 20 Cb 1.21 -0.08 -0.04 0.00 0.68 0.00 0.00 39.33 41.10 2kum h ASP 20 CO 0.66 0.25 0.19 0.11 -1.61 0.00 0.00 179.24 178.85 2kum h LYS 21 N 0.49 0.37 0.00 0.28 1.57 -2.00 -0.62 116.57 116.66 2kum h LYS 21 Ca 0.33 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.97 2kum h LYS 21 Cb 0.64 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.85 2kum h LYS 21 CO -0.11 0.25 -0.56 1.37 -0.57 0.00 0.00 179.45 179.83 2kum h LEU 22 N 0.39 0.00 -0.94 2.94 8.10 -1.68 -3.29 115.31 120.83 2kum h LEU 22 Ca 0.20 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.11 2kum h LEU 22 Cb 0.15 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.35 2kum h LEU 22 CO -0.17 0.56 -0.01 -0.07 -4.11 0.00 0.00 178.44 174.64 2kum h LEU 23 N 0.00 0.73 0.00 0.17 3.38 0.09 -1.65 115.31 118.03 2kum h LEU 23 Ca -0.01 -0.18 0.00 0.00 0.09 0.00 0.00 57.88 57.79 2kum h LEU 23 Cb 1.25 -0.19 0.00 0.00 0.09 0.00 0.00 40.66 41.81 2kum h LEU 23 CO 0.07 0.81 0.00 -2.11 0.09 0.00 0.00 178.44 177.30 2kum n ARG 24 N -4.22 0.38 -0.00 1.13 1.85 -0.36 -0.68 116.66 114.76 2kum n ARG 24 Ca 0.02 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.94 2kum n ARG 24 Cb 0.30 -1.26 0.06 0.00 -1.05 0.00 0.00 32.46 30.51 2kum n ARG 24 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 25 N -0.76 0.87 -3.04 2.89 5.02 -0.62 -4.63 118.16 117.89 2kum n LYS 25 Ca 0.05 -1.30 -0.32 0.00 -2.02 0.00 0.00 58.31 54.71 2kum n LYS 25 Cb 0.02 -1.25 -0.06 0.00 -0.02 0.00 0.00 35.03 33.72 2kum n LYS 25 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 2kum s VAL 26 N -1.10 4.64 0.00 -0.18 1.01 0.15 -0.95 120.40 123.97 2kum s VAL 26 Ca 0.16 1.01 0.00 0.00 0.00 0.00 0.00 61.98 63.15 2kum s VAL 26 Cb 0.11 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.87 2kum s VAL 26 CO 0.17 -0.25 0.00 2.30 0.00 0.00 0.00 175.10 177.31 2kum n ILE 27 N -0.53 0.00 -3.69 2.22 -5.35 0.42 -4.71 119.36 107.72 2kum n ILE 27 Ca 0.04 0.00 -0.13 0.00 -0.27 0.00 0.00 62.75 62.39 2kum n ILE 27 Cb 0.53 -0.09 -0.07 0.00 -1.74 0.00 0.00 39.64 38.28 2kum n ILE 27 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 2kum s GLN 28 N -1.64 0.88 -0.22 6.28 -1.52 -1.03 -5.04 119.66 117.35 2kum s GLN 28 Ca 0.00 -0.35 -0.12 0.00 -1.95 0.00 0.00 55.36 52.94 2kum s GLN 28 Cb 0.00 0.39 -0.05 0.00 -0.22 0.00 0.00 33.01 33.13 2kum s GLN 28 CO 0.00 -0.29 0.21 0.14 -0.25 0.00 0.00 175.29 175.10 2kum s VAL 29 N -2.32 5.33 -0.41 1.09 -7.23 -1.26 -0.76 120.40 114.84 2kum s VAL 29 Ca -0.06 0.31 -0.18 0.00 -1.81 0.00 0.00 61.98 60.23 2kum s VAL 29 Cb -0.01 -3.55 0.02 0.00 0.56 0.00 0.00 36.38 33.40 2kum s VAL 29 CO -0.01 0.34 0.47 -1.61 -0.31 0.00 0.00 175.10 173.98 2kum s GLU 30 N 0.97 3.20 -0.53 4.82 0.41 0.26 -4.95 118.70 122.88 2kum s GLU 30 Ca 0.10 -0.62 -0.22 0.00 -0.41 0.00 0.00 54.97 53.82 2kum s GLU 30 Cb -0.13 -3.94 0.05 0.00 -1.78 0.00 0.00 34.13 28.33 2kum s GLU 30 CO 0.04 -0.84 0.79 -1.17 -0.49 0.00 0.00 175.26 173.60 2kum s LEU 31 N 2.26 4.52 -0.61 1.80 2.96 -1.26 -0.10 118.68 128.25 2kum s LEU 31 Ca 0.14 -0.64 -0.27 0.00 -0.22 0.00 0.00 54.13 53.14 2kum s LEU 31 Cb -0.16 -2.63 0.04 0.00 0.50 0.00 0.00 46.19 43.93 2kum s LEU 31 CO 0.14 -1.08 1.13 -1.58 -1.32 0.00 0.00 176.35 173.65 2kum s GLN 32 N 3.33 3.37 0.60 1.98 0.74 0.29 -4.98 119.66 125.00 2kum s GLN 32 Ca 0.23 -0.06 -0.16 0.00 0.05 0.00 0.00 55.36 55.42 2kum s GLN 32 Cb -0.16 -4.08 -0.03 0.00 1.10 0.00 0.00 33.01 29.85 2kum s GLN 32 CO 0.15 -1.75 1.07 -1.21 -0.55 0.00 0.00 175.29 173.00 2kum s GLU 33 N 4.82 3.23 0.00 1.67 2.02 -1.26 -0.50 118.70 128.67 2kum s GLU 33 Ca 0.37 1.23 0.25 0.00 0.02 0.00 0.00 54.97 56.84 2kum s GLU 33 Cb -0.09 -2.02 1.34 0.00 0.10 0.00 0.00 34.13 33.46 2kum s GLU 33 CO 0.21 -0.88 1.88 0.00 0.02 0.00 0.00 175.26 176.49 2kum n ALA 34 N -2.10 2.62 0.00 5.21 0.00 -1.26 -3.62 120.51 121.36 2kum n ALA 34 Ca 0.09 -0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.27 2kum n ALA 34 Cb 0.53 -1.33 0.00 0.00 0.00 0.00 0.00 19.45 18.65 2kum n ALA 34 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 2kum n ASP 35 N -0.54 0.00 0.11 0.00 2.03 -0.62 -4.14 116.55 113.39 2kum n ASP 35 Ca 0.19 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.59 2kum n ASP 35 Cb 0.17 0.00 0.44 0.00 -0.72 0.00 0.00 41.12 41.01 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kum n GLY 36 N -0.26 -0.94 2.19 0.27 0.00 -1.26 -4.52 105.19 100.67 2kum n GLY 36 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.13 2kum n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kum n ASP 37 N -2.07 -3.33 -5.00 1.61 -0.08 -1.26 -4.97 116.55 101.45 2kum n ASP 37 Ca 0.00 0.72 -0.18 0.00 -1.51 0.00 0.00 54.79 53.82 2kum n ASP 37 Cb 0.10 3.19 0.00 0.00 2.34 0.00 0.00 41.12 46.75 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kum n HIS 39 N -1.77 0.72 -4.83 0.00 1.44 -1.26 -1.58 115.22 107.94 2kum n HIS 39 Ca 0.03 -0.36 -0.26 0.00 -2.01 0.00 0.00 57.72 55.12 2kum n HIS 39 Cb 0.58 0.00 -0.16 0.00 0.12 0.00 0.00 29.99 30.53 2kum n HIS 39 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2kum s LEU 40 N -1.11 1.90 -0.02 2.39 0.20 -1.26 -4.79 118.68 116.00 2kum s LEU 40 Ca 0.40 -0.36 -0.19 0.00 0.69 0.00 0.00 54.13 54.67 2kum s LEU 40 Cb 0.21 -0.98 -0.05 0.00 -0.43 0.00 0.00 46.19 44.94 2kum s LEU 40 CO 0.28 0.14 0.54 -1.58 -0.29 0.00 0.00 176.35 175.45 2kum s GLN 41 N 0.09 4.26 0.08 1.98 0.74 -1.26 -4.17 119.66 121.39 2kum s GLN 41 Ca -0.05 0.63 -0.14 0.00 0.05 0.00 0.00 55.36 55.86 2kum s GLN 41 Cb -0.12 -3.34 0.02 0.00 1.10 0.00 0.00 33.01 30.67 2kum s GLN 41 CO 0.03 0.39 0.32 0.00 -0.55 0.00 0.00 175.29 175.47 2kum s ALA 42 N -0.21 -0.68 -0.34 1.58 0.00 0.34 -4.58 121.76 117.87 2kum s ALA 42 Ca 0.29 -0.13 0.02 0.00 0.00 0.00 0.00 51.96 52.14 2kum s ALA 42 Cb -0.17 0.48 0.09 0.00 0.00 0.00 0.00 23.12 23.51 2kum s ALA 42 CO 0.15 -0.51 0.05 -0.06 0.00 0.00 0.00 175.76 175.39 2kum s PHE 43 N -3.24 3.61 -0.02 0.00 0.40 0.13 -0.55 117.98 118.32 2kum s PHE 43 Ca -0.00 -2.70 -0.12 0.00 -0.60 0.00 0.00 56.93 53.50 2kum s PHE 43 Cb 0.01 -2.75 -0.05 0.00 0.51 0.00 0.00 43.02 40.74 2kum s PHE 43 CO -0.08 -0.93 0.35 0.08 0.70 0.00 0.00 175.22 175.34 2kum s VAL 44 N 1.00 5.14 -0.30 -0.44 1.01 0.85 -1.22 120.40 126.45 2kum s VAL 44 Ca 0.06 0.65 -0.10 0.00 0.00 0.00 0.00 61.98 62.59 2kum s VAL 44 Cb -0.20 -3.64 -0.02 0.00 0.00 0.00 0.00 36.38 32.52 2kum s VAL 44 CO -0.06 0.55 0.16 -0.76 0.00 0.00 0.00 175.10 174.99 2kum s LEU 45 N -1.17 4.02 -0.73 3.92 1.43 0.15 0.89 118.68 127.20 2kum s LEU 45 Ca 0.23 -0.34 -0.18 0.00 -1.03 0.00 0.00 54.13 52.81 2kum s LEU 45 Cb -0.15 -2.03 0.13 0.00 0.03 0.00 0.00 46.19 44.16 2kum s LEU 45 CO 0.12 -0.14 0.86 -2.28 0.23 0.00 0.00 176.35 175.14 2kum s HIS 46 N 1.66 3.13 0.57 0.29 2.46 0.06 -0.61 115.29 122.84 2kum s HIS 46 Ca 0.06 -1.21 -0.13 0.00 0.47 0.00 0.00 55.06 54.25 2kum s HIS 46 Cb -0.16 -4.09 -0.05 0.00 -0.13 0.00 0.00 32.58 28.14 2kum s HIS 46 CO 0.07 -1.34 0.99 -0.51 -2.47 0.00 0.00 174.74 171.49 2kum s LEU 47 N 2.41 3.41 0.00 8.88 1.02 -0.28 -0.43 118.68 133.69 2kum s LEU 47 Ca 0.20 1.44 0.00 0.00 0.02 0.00 0.00 54.13 55.78 2kum s LEU 47 Cb -0.16 -4.43 0.00 0.00 0.02 0.00 0.00 46.19 41.62 2kum s LEU 47 CO -0.00 -0.74 0.40 0.00 0.02 0.00 0.00 176.35 176.03 2kum n ALA 48 N -2.25 1.99 0.00 4.21 0.00 -0.12 -2.82 120.51 121.52 2kum n ALA 48 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kum n ALA 48 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 2kum n ALA 48 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2kum n GLN 49 N 0.00 0.02 -3.50 0.00 3.00 -1.26 -5.13 117.38 110.51 2kum n GLN 49 Ca 0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 57.00 56.90 2kum n GLN 49 Cb 0.11 -0.54 -0.02 0.00 0.00 0.00 0.00 30.24 29.80 2kum n GLN 49 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.06 176.08 2kum s ARG 50 N -1.07 1.04 -0.09 -1.09 1.04 -1.13 -5.11 118.95 112.55 2kum s ARG 50 Ca 0.00 -0.41 0.01 0.00 -1.04 0.00 0.00 55.73 54.29 2kum s ARG 50 Cb 0.00 0.46 -0.02 0.00 -2.04 0.00 0.00 34.95 33.35 2kum s ARG 50 CO 0.00 -0.46 -0.11 -1.12 -0.04 0.00 0.00 175.30 173.57 2kum s SER 51 N -2.62 4.27 0.04 -2.89 0.01 -1.26 -1.12 113.70 110.12 2kum s SER 51 Ca 0.04 -0.18 0.04 0.00 1.31 0.00 0.00 55.95 57.16 2kum s SER 51 Cb -0.01 -1.27 -0.04 0.00 0.21 0.00 0.00 66.02 64.91 2kum s SER 51 CO -0.09 0.27 -0.05 -0.63 0.41 0.00 0.00 173.24 173.15 2kum s ILE 52 N -0.29 3.75 -0.23 1.44 1.01 0.22 -1.54 121.20 125.55 2kum s ILE 52 Ca 0.03 -0.87 -0.09 0.00 0.00 0.00 0.00 60.65 59.72 2kum s ILE 52 Cb -0.13 -2.69 -0.04 0.00 0.01 0.00 0.00 42.46 39.61 2kum s ILE 52 CO 0.03 0.29 0.12 0.00 0.00 0.00 0.00 174.94 175.37 2kum s ILE 54 N 1.07 1.66 0.18 0.00 1.01 -0.36 -0.10 121.20 124.66 2kum s ILE 54 Ca 0.06 -1.34 -0.30 0.00 0.00 0.00 0.00 60.65 59.06 2kum s ILE 54 Cb -0.14 -1.48 -0.09 0.00 0.01 0.00 0.00 42.46 40.77 2kum s ILE 54 CO 0.04 0.08 1.37 -2.28 0.00 0.00 0.00 174.94 174.15 2kum s HIS 55 N -0.97 3.19 0.23 3.97 5.65 -1.26 -0.69 115.29 125.42 2kum s HIS 55 Ca 0.07 1.07 -0.07 0.00 0.25 0.00 0.00 55.06 56.37 2kum s HIS 55 Cb -0.09 -3.69 0.40 0.00 -1.18 0.00 0.00 32.58 28.02 2kum s HIS 55 CO 0.03 -2.28 1.67 -1.35 -0.65 0.00 0.00 174.74 172.16 2kum h PRO 56 N 5.80 0.19 -5.20 2.88 0.11 -1.88 -2.85 132.00 131.06 2kum h PRO 56 Ca -0.44 -0.01 -0.70 0.00 0.11 0.00 0.00 66.00 64.95 2kum h PRO 56 Cb 1.21 -0.04 -0.11 0.00 0.11 0.00 0.00 31.00 32.17 2kum h PRO 56 CO 0.81 0.13 2.06 1.04 -0.21 0.00 0.00 178.00 181.83 2kum n GLN 57 N -5.22 3.24 -3.77 1.05 3.00 -1.26 -4.86 117.38 109.55 2kum n GLN 57 Ca 0.12 -3.38 -0.13 0.00 -0.01 0.00 0.00 57.00 53.60 2kum n GLN 57 Cb 0.43 -3.31 -0.14 0.00 0.00 0.00 0.00 30.24 27.22 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.06 178.27 2kum s ASN 58 N 3.51 -0.11 0.34 1.08 3.84 -1.08 -5.05 114.94 117.47 2kum s ASN 58 Ca 0.49 0.27 0.01 0.00 0.21 0.00 0.00 52.86 53.85 2kum s ASN 58 Cb 0.03 0.19 0.59 0.00 -0.55 0.00 0.00 41.25 41.52 2kum s ASN 58 CO 0.03 -0.12 2.00 1.55 -2.79 0.00 0.00 177.10 177.78 2kum h PRO 59 N 6.89 0.90 -0.20 0.43 0.13 -1.90 -2.63 132.00 135.62 2kum h PRO 59 Ca -0.38 -0.05 -0.11 0.00 -0.87 0.00 0.00 66.00 64.59 2kum h PRO 59 Cb 1.16 -0.20 -0.01 0.00 0.13 0.00 0.00 31.00 32.07 2kum h PRO 59 CO 0.43 0.59 -0.34 0.77 -0.23 0.00 0.00 178.00 179.22 2kum h SER 60 N 0.92 0.43 0.12 1.44 0.02 -1.96 0.69 113.55 115.21 2kum h SER 60 Ca 0.25 -0.17 -0.22 0.00 -0.84 0.00 0.00 61.79 60.81 2kum h SER 60 Cb -0.10 -0.12 0.01 0.00 0.14 0.00 0.00 62.40 62.32 2kum h SER 60 CO -0.05 0.74 -0.85 0.25 -1.14 0.00 0.00 176.83 175.78 2kum h LEU 61 N 0.36 0.70 -0.08 5.07 7.12 -1.85 -2.18 115.31 124.45 2kum h LEU 61 Ca 0.04 -0.50 -0.02 0.00 0.13 0.00 0.00 57.88 57.53 2kum h LEU 61 Cb 0.77 -0.21 -0.00 0.00 -0.53 0.00 0.00 40.66 40.69 2kum h LEU 61 CO 0.06 1.28 -0.05 -1.28 -0.13 0.00 0.00 178.44 178.33 2kum h SER 62 N 0.36 0.17 0.01 1.25 0.87 -1.11 -1.50 113.55 113.61 2kum h SER 62 Ca -0.07 -0.43 -0.00 0.00 -1.23 0.00 0.00 61.79 60.06 2kum h SER 62 Cb 1.47 -0.05 -0.00 0.00 -0.44 0.00 0.00 62.40 63.38 2kum h SER 62 CO 0.16 0.57 -0.01 0.06 -0.53 0.00 0.00 176.83 177.08 2kum h GLN 63 N -0.22 0.00 -0.13 2.24 3.07 -0.96 -0.57 115.11 118.54 2kum h GLN 63 Ca 0.02 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.67 2kum h GLN 63 Cb 0.50 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.05 2kum h GLN 63 CO 0.01 0.01 -0.29 2.35 0.09 0.00 0.00 178.83 181.00 2kum h TRP 64 N 0.00 0.27 -0.04 0.06 -0.00 -0.70 0.17 115.95 115.70 2kum h TRP 64 Ca -0.00 -0.05 0.04 0.00 -0.00 0.00 0.00 58.89 58.87 2kum h TRP 64 Cb 0.02 -0.07 -0.06 0.00 -0.00 0.00 0.00 29.16 29.06 2kum h TRP 64 CO 0.00 0.51 -0.34 0.74 -0.00 0.00 0.00 178.44 179.35 2kum h PHE 65 N 0.21 -0.95 0.00 2.65 -1.00 -0.10 0.69 116.94 118.45 2kum h PHE 65 Ca 0.03 0.03 -0.22 0.00 2.81 0.00 0.00 57.97 60.63 2kum h PHE 65 Cb 0.63 0.42 -0.00 0.00 3.61 0.00 0.00 35.95 40.61 2kum h PHE 65 CO 0.01 -0.43 -0.92 0.93 -1.61 0.00 0.00 178.31 176.29 2kum h GLU 66 N -0.48 0.34 0.00 1.51 5.08 -1.52 -2.99 114.58 116.53 2kum h GLU 66 Ca 0.07 -0.37 -0.20 0.00 -1.00 0.00 0.00 59.36 57.86 2kum h GLU 66 Cb 0.58 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.92 2kum h GLU 66 CO -0.30 1.05 -0.89 0.45 -1.00 0.00 0.00 179.01 178.32 2kum h HIS 67 N 0.19 0.32 -0.08 4.33 3.86 -0.43 -2.99 115.15 120.35 2kum h HIS 67 Ca -0.07 -0.18 -0.10 0.00 -1.16 0.00 0.00 60.37 58.86 2kum h HIS 67 Cb 1.55 -0.03 -0.01 0.00 1.06 0.00 0.00 27.41 29.97 2kum h HIS 67 CO 0.05 0.99 -0.42 0.37 0.86 0.00 0.00 177.93 179.78 2kum h GLN 68 N 0.12 0.19 -0.30 2.45 4.15 0.35 0.89 115.11 122.95 2kum h GLN 68 Ca -0.05 -0.09 0.01 0.00 0.77 0.00 0.00 58.65 59.30 2kum h GLN 68 Cb 1.52 -0.00 -0.02 0.00 0.21 0.00 0.00 27.48 29.19 2kum h GLN 68 CO 0.14 0.58 0.20 1.49 -1.93 0.00 0.00 178.83 179.31 2kum h GLU 69 N 0.16 0.35 -0.29 1.69 4.81 -1.38 -2.67 114.58 117.24 2kum h GLU 69 Ca 0.01 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 2kum h GLU 69 Cb 0.82 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.12 2kum h GLU 69 CO 0.06 0.23 0.00 2.89 -0.73 0.00 0.00 179.01 181.47 2kum n ARG 70 N -4.49 2.92 0.00 1.92 1.85 -0.74 -4.55 116.66 113.56 2kum n ARG 70 Ca 0.02 -2.54 0.00 0.00 -1.00 0.00 0.00 57.85 54.33 2kum n ARG 70 Cb 0.10 -1.62 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 2kum n ARG 70 CO 0.00 0.00 0.00 1.17 -0.01 0.00 0.00 177.63 178.79 2kum n LYS 71 N -0.12 1.72 0.00 2.89 4.81 0.23 -4.81 118.16 122.89 2kum n LYS 71 Ca 0.18 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.62 2kum n LYS 71 Cb 0.71 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.76 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 1.17 0.00 0.00 177.40 179.85 2kum n LEU 72 N 0.00 0.00 -0.12 3.14 4.32 -1.26 -0.65 117.00 122.43 2kum n LEU 72 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 2kum n LEU 72 Cb 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kum n LEU 72 CO 0.00 0.00 0.06 1.57 -1.22 0.00 0.00 177.39 177.80 2kum n HIS 73 N 0.00 0.00 -3.03 -1.77 -0.00 -1.26 -5.00 115.22 104.16 2kum n HIS 73 Ca 0.00 0.00 -0.13 0.00 0.46 0.00 0.00 57.72 58.05 2kum n HIS 73 Cb 0.00 0.17 0.06 0.00 -0.12 0.00 0.00 29.99 30.10 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 2kum n GLY 74 N 0.00 -0.71 0.60 1.57 0.00 0.18 -5.03 105.19 101.80 2kum n GLY 74 Ca 0.00 0.35 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 2kum n GLY 74 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2kum n THR 75 N -3.12 0.00 -0.16 2.61 -2.24 -1.26 -5.06 114.28 105.05 2kum n THR 75 Ca -0.10 -0.29 0.00 0.00 -2.27 0.00 0.00 64.05 61.39 2kum n THR 75 Cb 0.61 -0.98 0.00 0.00 -2.10 0.00 0.00 70.33 67.86 2kum n THR 75 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 2kum n LEU 76 N 0.00 -0.85 0.00 3.22 4.77 -1.26 -4.99 117.00 117.89 2kum n LEU 76 Ca 0.03 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.30 2kum n LEU 76 Cb 0.09 0.60 0.00 0.00 -2.33 0.00 0.00 43.42 41.78 2kum n LEU 76 CO 0.06 0.01 0.00 -0.81 -1.33 0.00 0.00 177.39 175.32 2kum n PRO 77 N -1.17 2.11 -1.98 3.23 -0.04 -1.26 -4.85 135.00 131.04 2kum n PRO 77 Ca 0.00 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.12 2kum n PRO 77 Cb 0.01 0.00 -0.05 0.00 -0.04 0.00 0.00 33.50 33.43 2kum n PRO 77 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 2kum n LYS 78 N 0.00 1.93 -3.67 0.54 4.76 -1.26 -4.77 118.16 115.69 2kum n LYS 78 Ca 0.00 -2.51 -0.38 0.00 -2.87 0.00 0.00 58.31 52.55 2kum n LYS 78 Cb 0.00 -3.52 -0.06 0.00 -1.84 0.00 0.00 35.03 29.61 2kum n LYS 78 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2kum s LEU 79 N 7.62 4.43 -0.42 -0.35 1.43 -1.26 -4.96 118.68 125.17 2kum s LEU 79 Ca 0.63 0.73 0.05 0.00 -1.03 0.00 0.00 54.13 54.51 2kum s LEU 79 Cb 0.04 -2.35 0.31 0.00 0.03 0.00 0.00 46.19 44.21 2kum s LEU 79 CO 0.11 0.36 1.17 -0.46 0.23 0.00 0.00 176.35 177.77 2kum n ASN 80 N 1.93 -2.05 -1.12 2.29 0.23 -0.93 -0.36 115.26 115.25 2kum n ASN 80 Ca -0.17 -3.04 0.00 0.00 -0.53 0.00 0.00 54.58 50.85 2kum n ASN 80 Cb 0.54 1.64 0.00 0.00 -2.08 0.00 0.00 39.78 39.87 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -0.93 0.00 0.00 177.26 176.82 2kum n PHE 81 N 0.63 0.00 0.00 -2.53 3.72 -0.91 -4.73 117.46 113.64 2kum n PHE 81 Ca 0.03 -0.36 0.00 0.00 -0.05 0.00 0.00 57.45 57.07 2kum n PHE 81 Cb 0.71 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 39.02 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 2kum n GLY 82 N 0.87 0.79 0.05 1.37 0.00 -1.26 -4.05 105.19 102.97 2kum n GLY 82 Ca 0.00 -0.00 -0.03 0.00 0.00 0.00 0.00 46.02 45.99 2kum n GLY 82 CO 0.00 0.00 0.00 -0.33 0.00 0.00 0.00 173.32 172.99 2kum h MET 83 N 0.00 0.00 -3.37 1.61 2.86 -2.00 -3.40 114.93 110.63 2kum h MET 83 Ca 0.00 0.00 -0.70 0.00 -2.06 0.00 0.00 59.70 56.94 2kum h MET 83 Cb 0.00 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.64 2kum h MET 83 CO 0.00 0.00 3.34 1.28 1.06 0.00 0.00 176.91 182.59 2kum n LEU 84 N -4.28 7.86 -3.94 1.22 7.99 -1.26 -4.70 117.00 119.90 2kum n LEU 84 Ca -0.04 -4.35 -0.41 0.00 -0.01 0.00 0.00 56.01 51.20 2kum n LEU 84 Cb 0.15 -1.57 -0.03 0.00 -0.11 0.00 0.00 43.42 41.86 2kum n LEU 84 CO 0.06 1.67 2.23 0.54 -1.51 0.00 0.00 177.39 180.38 2kum n ARG 85 N 4.37 2.28 -1.17 3.23 1.74 -1.26 -2.14 116.66 123.71 2kum n ARG 85 Ca 0.65 -2.43 -0.06 0.00 -0.77 0.00 0.00 57.85 55.24 2kum n ARG 85 Cb 0.30 -3.25 -0.03 0.00 -1.02 0.00 0.00 32.46 28.46 2kum n ARG 85 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kum n LYS 86 N 7.05 -1.40 0.00 5.56 5.02 0.51 -4.80 118.16 130.10 2kum n LYS 86 Ca 0.50 0.64 0.12 0.00 -2.02 0.00 0.00 58.31 57.55 2kum n LYS 86 Cb 0.42 -4.81 0.14 0.00 -0.02 0.00 0.00 35.03 30.75 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 2kum n MET 87 N -0.85 2.26 0.00 1.97 2.81 -1.25 -4.05 117.12 118.00 2kum n MET 87 Ca -0.06 -1.83 0.00 0.00 -1.81 0.00 0.00 57.70 54.00 2kum n MET 87 Cb 0.44 -1.46 0.00 0.00 -0.71 0.00 0.00 33.22 31.49 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89