#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 2.06 -0.53 5.98 2.96 -1.26 -5.10 118.68 122.78 2kum s LEU 2 Ca 0.00 -0.22 -0.17 0.00 -0.22 0.00 0.00 54.13 53.52 2kum s LEU 2 Cb 0.00 -0.40 0.09 0.00 0.50 0.00 0.00 46.19 46.38 2kum s LEU 2 CO 0.00 0.06 0.55 -0.76 -1.32 0.00 0.00 176.35 174.88 2kum s LEU 3 N -0.43 5.58 0.48 -0.68 2.01 -1.26 -5.03 118.68 119.34 2kum s LEU 3 Ca 0.02 -1.40 -0.22 0.00 0.01 0.00 0.00 54.13 52.54 2kum s LEU 3 Cb -0.04 -2.28 -0.07 0.00 0.01 0.00 0.00 46.19 43.81 2kum s LEU 3 CO -0.00 -0.88 1.13 -2.84 1.01 0.00 0.00 176.35 174.77 2kum s PRO 4 N 2.11 3.69 0.12 1.29 0.02 -1.24 -4.96 135.00 136.03 2kum s PRO 4 Ca 0.08 1.66 -0.33 0.00 0.02 0.00 0.00 61.00 62.43 2kum s PRO 4 Cb -0.25 -2.28 -0.12 0.00 0.02 0.00 0.00 34.50 31.87 2kum s PRO 4 CO 0.07 -0.58 1.73 -2.30 -0.33 0.00 0.00 177.00 175.58 2kum n PRO 5 N -0.72 2.46 -1.04 5.54 -0.02 -1.26 -0.78 135.00 139.18 2kum n PRO 5 Ca 0.08 0.89 -0.01 0.00 -2.02 0.00 0.00 63.50 62.45 2kum n PRO 5 Cb 0.49 -2.73 -0.01 0.00 -0.02 0.00 0.00 33.50 31.24 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 2kum n SER 6 N 4.65 -4.10 -3.65 2.55 7.64 -1.26 -4.93 113.62 114.51 2kum n SER 6 Ca 0.18 0.03 -0.27 0.00 1.01 0.00 0.00 58.87 59.81 2kum n SER 6 Cb 0.33 -1.71 -0.11 0.00 -1.01 0.00 0.00 64.21 61.71 2kum n SER 6 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 2kum n THR 7 N -2.65 0.38 -3.23 0.44 -1.04 0.04 -5.04 114.28 103.19 2kum n THR 7 Ca -0.01 -4.24 -0.46 0.00 -2.04 0.00 0.00 64.05 57.30 2kum n THR 7 Cb 0.20 -1.95 -0.02 0.00 -1.82 0.00 0.00 70.33 66.74 2kum n THR 7 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 2kum s ALA 8 N -0.84 4.09 -0.67 2.41 0.00 -1.26 -3.71 121.76 121.78 2kum s ALA 8 Ca 0.29 -3.34 0.05 0.00 0.00 0.00 0.00 51.96 48.96 2kum s ALA 8 Cb 0.00 -3.68 0.17 0.00 0.00 0.00 0.00 23.12 19.62 2kum s ALA 8 CO -0.18 -2.43 0.47 0.00 0.00 0.00 0.00 175.76 173.62 2kum n THR 11 N 4.66 0.00 -3.69 0.00 -2.24 -1.26 -4.94 114.28 106.81 2kum n THR 11 Ca 0.12 -0.21 -0.12 0.00 -2.27 0.00 0.00 64.05 61.57 2kum n THR 11 Cb 0.45 1.12 -0.12 0.00 -2.10 0.00 0.00 70.33 69.68 2kum n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 2kum s GLN 12 N -2.33 0.24 0.04 -0.78 1.03 -1.26 -5.15 119.66 111.44 2kum s GLN 12 Ca 0.11 0.71 -0.07 0.00 0.04 0.00 0.00 55.36 56.15 2kum s GLN 12 Cb 0.14 -0.02 -0.05 0.00 0.03 0.00 0.00 33.01 33.11 2kum s GLN 12 CO 0.57 -0.21 0.30 -0.51 -2.54 0.00 0.00 175.29 172.91 2kum s LEU 13 N 1.79 4.36 0.22 2.60 1.43 -1.26 -4.69 118.68 123.13 2kum s LEU 13 Ca -0.05 0.60 0.12 0.00 -1.03 0.00 0.00 54.13 53.76 2kum s LEU 13 Cb -0.11 -2.81 0.03 0.00 0.03 0.00 0.00 46.19 43.33 2kum s LEU 13 CO -0.10 0.21 1.41 0.22 0.23 0.00 0.00 176.35 178.33 2kum h TYR 14 N 3.77 0.00 0.00 0.29 3.20 -0.86 -3.47 116.97 119.90 2kum h TYR 14 Ca -0.49 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.38 2kum h TYR 14 Cb 1.19 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.46 2kum h TYR 14 CO 0.67 0.71 0.00 0.54 -1.64 0.00 0.00 178.16 178.44 2kum n ARG 15 N -3.35 0.00 -2.09 1.82 5.12 -1.26 -4.90 116.66 112.00 2kum n ARG 15 Ca 0.01 0.00 -0.40 0.00 -1.93 0.00 0.00 57.85 55.53 2kum n ARG 15 Cb 0.79 0.00 -0.01 0.00 -1.16 0.00 0.00 32.46 32.08 2kum n ARG 15 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kum s LYS 16 N 0.00 4.17 0.58 5.56 2.20 -1.26 -4.70 119.74 126.28 2kum s LYS 16 Ca 0.00 2.18 -0.20 0.00 -0.36 0.00 0.00 55.97 57.59 2kum s LYS 16 Cb 0.00 -2.91 -0.04 0.00 -1.51 0.00 0.00 37.83 33.36 2kum s LYS 16 CO 0.00 -0.34 1.18 -2.30 -0.36 0.00 0.00 175.35 173.53 2kum n PRO 17 N 0.46 1.26 -3.46 4.03 -0.02 -1.26 -4.95 135.00 131.06 2kum n PRO 17 Ca 0.02 0.47 -0.27 0.00 -2.02 0.00 0.00 63.50 61.71 2kum n PRO 17 Cb 0.43 -2.38 -0.02 0.00 -0.02 0.00 0.00 33.50 31.50 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 -2.90 4.09 0.19 2.45 1.43 -1.26 -5.07 118.68 117.62 2kum s LEU 18 Ca 0.75 0.54 -0.29 0.00 -1.03 0.00 0.00 54.13 54.10 2kum s LEU 18 Cb -0.42 -3.35 -0.08 0.00 0.03 0.00 0.00 46.19 42.37 2kum s LEU 18 CO 0.47 -0.18 0.90 -0.44 0.23 0.00 0.00 176.35 177.33 2kum s SER 19 N -3.45 7.55 0.44 2.29 0.01 -1.26 -4.95 113.70 114.33 2kum s SER 19 Ca 0.41 1.84 0.11 0.00 1.31 0.00 0.00 55.95 59.61 2kum s SER 19 Cb -0.10 -2.58 0.96 0.00 0.21 0.00 0.00 66.02 64.51 2kum s SER 19 CO 0.32 0.13 2.04 -0.78 0.41 0.00 0.00 173.24 175.35 2kum h ASP 20 N 4.49 0.23 -0.31 2.44 3.58 -1.98 -1.25 116.42 123.63 2kum h ASP 20 Ca -0.45 -0.02 0.02 0.00 0.42 0.00 0.00 57.03 57.00 2kum h ASP 20 Cb 1.20 -0.06 -0.02 0.00 1.72 0.00 0.00 39.33 42.17 2kum h ASP 20 CO 0.68 0.25 0.15 0.11 -2.88 0.00 0.00 179.24 177.56 2kum h LYS 21 N 0.26 0.31 0.00 0.28 1.57 -2.01 -1.38 116.57 115.60 2kum h LYS 21 Ca 0.06 -0.02 -0.14 0.00 -1.87 0.00 0.00 60.65 58.69 2kum h LYS 21 Cb 0.12 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 2kum h LYS 21 CO -0.00 0.21 -0.65 1.37 -0.57 0.00 0.00 179.45 179.80 2kum h LEU 22 N 0.32 0.00 -0.37 2.94 8.10 -1.84 -3.28 115.31 121.17 2kum h LEU 22 Ca 0.13 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.11 2kum h LEU 22 Cb 0.04 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.24 2kum h LEU 22 CO -0.09 0.65 0.20 -0.07 -4.11 0.00 0.00 178.44 175.03 2kum h LEU 23 N 0.00 0.47 0.00 0.17 3.38 -0.49 -2.18 115.31 116.66 2kum h LEU 23 Ca -0.01 -0.10 0.00 0.00 0.09 0.00 0.00 57.88 57.86 2kum h LEU 23 Cb 1.23 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 41.86 2kum h LEU 23 CO 0.09 0.44 0.05 -2.11 0.09 0.00 0.00 178.44 176.99 2kum n ARG 24 N -4.74 0.00 -0.21 1.13 1.85 -0.59 -0.44 116.66 113.66 2kum n ARG 24 Ca -0.00 0.38 0.08 0.00 -1.00 0.00 0.00 57.85 57.31 2kum n ARG 24 Cb 0.09 -1.55 0.19 0.00 -1.05 0.00 0.00 32.46 30.14 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 -1.37 2.50 -2.50 2.89 5.02 -0.82 -4.24 118.16 119.64 2kum n LYS 25 Ca 0.00 -2.14 -0.40 0.00 -2.02 0.00 0.00 58.31 53.74 2kum n LYS 25 Cb 0.05 -1.38 -0.04 0.00 -0.02 0.00 0.00 35.03 33.64 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 -1.08 3.62 -0.23 -0.18 1.01 0.41 -3.71 120.40 120.24 2kum s VAL 26 Ca 0.31 1.57 -0.03 0.00 0.00 0.00 0.00 61.98 63.83 2kum s VAL 26 Cb 0.17 -4.00 -0.18 0.00 0.00 0.00 0.00 36.38 32.37 2kum s VAL 26 CO 0.23 0.35 -0.10 2.30 0.00 0.00 0.00 175.10 177.87 2kum n ILE 27 N 1.51 1.56 -3.82 2.22 -5.35 -0.59 -4.82 119.36 110.06 2kum n ILE 27 Ca -0.00 -0.55 -0.12 0.00 -0.27 0.00 0.00 62.75 61.81 2kum n ILE 27 Cb 0.45 -1.56 -0.09 0.00 -1.74 0.00 0.00 39.64 36.70 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 -2.52 0.63 -0.10 6.28 -1.52 -1.07 -5.08 119.66 116.28 2kum s GLN 28 Ca -0.33 -0.42 -0.01 0.00 -1.95 0.00 0.00 55.36 52.65 2kum s GLN 28 Cb 0.09 0.27 -0.03 0.00 -0.22 0.00 0.00 33.01 33.12 2kum s GLN 28 CO 0.62 -0.17 -0.05 0.08 -0.25 0.00 0.00 175.29 175.52 2kum s VAL 29 N -1.85 3.87 0.29 1.09 1.01 -1.26 -2.10 120.40 121.44 2kum s VAL 29 Ca -0.11 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.50 2kum s VAL 29 Cb -0.04 -2.62 -0.05 0.00 0.00 0.00 0.00 36.38 33.66 2kum s VAL 29 CO 0.00 0.57 0.10 -1.83 0.00 0.00 0.00 175.10 173.94 2kum s GLU 30 N -0.46 1.53 -0.08 2.72 -1.05 -0.21 -5.00 118.70 116.15 2kum s GLU 30 Ca 0.07 -1.85 -0.07 0.00 -0.15 0.00 0.00 54.97 52.97 2kum s GLU 30 Cb -0.12 -0.39 0.02 0.00 -0.44 0.00 0.00 34.13 33.20 2kum s GLU 30 CO 0.02 -0.31 0.22 -0.48 0.95 0.00 0.00 175.26 175.67 2kum s LEU 31 N -3.38 1.09 -0.37 1.83 2.34 -1.26 -0.48 118.68 118.45 2kum s LEU 31 Ca 0.36 0.45 -0.28 0.00 0.06 0.00 0.00 54.13 54.72 2kum s LEU 31 Cb 0.07 0.76 0.02 0.00 -0.56 0.00 0.00 46.19 46.48 2kum s LEU 31 CO 0.15 -0.08 1.04 -1.58 -1.06 0.00 0.00 176.35 174.82 2kum s GLN 32 N 0.22 3.93 0.18 1.48 0.74 0.18 -4.86 119.66 121.52 2kum s GLN 32 Ca -0.01 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 55.91 2kum s GLN 32 Cb -0.02 -3.79 -0.10 0.00 1.10 0.00 0.00 33.01 30.19 2kum s GLN 32 CO -0.00 -1.02 1.55 -1.21 -0.55 0.00 0.00 175.29 174.06 2kum s GLU 33 N 3.77 4.22 0.43 1.67 2.02 -1.26 -2.64 118.70 126.91 2kum s GLU 33 Ca 0.44 2.35 0.29 0.00 0.02 0.00 0.00 54.97 58.07 2kum s GLU 33 Cb -0.11 -3.15 1.20 0.00 0.10 0.00 0.00 34.13 32.17 2kum s GLU 33 CO 0.20 -0.58 1.87 0.00 0.02 0.00 0.00 175.26 176.77 2kum h ALA 34 N 6.54 1.00 0.00 5.21 0.00 -1.76 -3.17 119.26 127.08 2kum h ALA 34 Ca -0.43 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.48 2kum h ALA 34 Cb 1.21 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.00 2kum h ALA 34 CO 0.89 0.00 0.00 -3.47 0.00 0.00 0.00 179.25 176.67 2kum n ASP 35 N -2.74 0.00 0.00 0.00 2.03 -1.07 -2.85 116.55 111.92 2kum n ASP 35 Ca 0.01 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.32 2kum n ASP 35 Cb 0.28 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.68 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 0.00 0.16 0.16 0.27 0.00 -1.25 -4.58 105.19 99.94 2kum n GLY 36 Ca 0.00 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.05 2kum n GLY 36 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kum h ASP 37 N 0.00 0.00 -3.87 1.61 3.58 -1.96 -3.46 116.42 112.32 2kum h ASP 37 Ca 0.00 0.00 -0.32 0.00 0.42 0.00 0.00 57.03 57.13 2kum h ASP 37 Cb 0.00 0.00 -0.07 0.00 1.72 0.00 0.00 39.33 40.98 2kum h ASP 37 CO 0.00 0.50 -0.28 0.00 -2.88 0.00 0.00 179.24 176.58 2kum n HIS 39 N -0.51 0.03 -3.54 0.00 1.44 -1.25 -2.61 115.22 108.78 2kum n HIS 39 Ca -0.01 -1.50 -0.13 0.00 -2.01 0.00 0.00 57.72 54.06 2kum n HIS 39 Cb 0.37 -0.25 -0.04 0.00 0.12 0.00 0.00 29.99 30.18 2kum n HIS 39 CO 0.00 0.00 0.00 -0.48 -2.81 0.00 0.00 176.34 173.05 2kum s LEU 40 N -3.23 -0.17 -0.03 2.39 2.34 -1.13 -4.83 118.68 114.01 2kum s LEU 40 Ca 0.38 0.09 -0.02 0.00 0.06 0.00 0.00 54.13 54.64 2kum s LEU 40 Cb 0.37 2.23 -0.04 0.00 -0.56 0.00 0.00 46.19 48.20 2kum s LEU 40 CO -0.07 -0.80 0.08 -1.58 -1.06 0.00 0.00 176.35 172.92 2kum s GLN 41 N -2.92 3.10 -0.29 1.48 0.74 -1.26 -3.33 119.66 117.19 2kum s GLN 41 Ca -0.03 -0.42 -0.15 0.00 0.05 0.00 0.00 55.36 54.81 2kum s GLN 41 Cb -0.00 -2.89 0.11 0.00 1.10 0.00 0.00 33.01 31.32 2kum s GLN 41 CO -0.06 0.68 0.75 0.00 -0.55 0.00 0.00 175.29 176.11 2kum s ALA 42 N -1.12 -2.02 -0.29 1.58 0.00 -1.08 -4.70 121.76 114.13 2kum s ALA 42 Ca 0.20 2.36 -0.24 0.00 0.00 0.00 0.00 51.96 54.28 2kum s ALA 42 Cb -0.12 -1.58 -0.00 0.00 0.00 0.00 0.00 23.12 21.42 2kum s ALA 42 CO 0.10 -0.51 0.79 -0.06 0.00 0.00 0.00 175.76 176.09 2kum s PHE 43 N 1.87 3.23 -0.07 0.00 0.08 -1.09 0.47 117.98 122.47 2kum s PHE 43 Ca -0.09 0.89 0.03 0.00 0.12 0.00 0.00 56.93 57.88 2kum s PHE 43 Cb -0.06 -3.17 -0.02 0.00 -0.57 0.00 0.00 43.02 39.20 2kum s PHE 43 CO -0.19 -0.52 -0.15 0.08 -0.10 0.00 0.00 175.22 174.34 2kum s VAL 44 N 2.92 2.98 -0.30 -0.44 1.01 0.37 -0.86 120.40 126.07 2kum s VAL 44 Ca 0.33 -0.74 -0.06 0.00 0.00 0.00 0.00 61.98 61.51 2kum s VAL 44 Cb -0.14 -2.18 0.02 0.00 0.00 0.00 0.00 36.38 34.08 2kum s VAL 44 CO 0.11 0.57 0.06 -0.76 0.00 0.00 0.00 175.10 175.09 2kum s LEU 45 N -0.45 3.84 -0.34 3.92 2.01 0.76 -1.04 118.68 127.38 2kum s LEU 45 Ca 0.06 -0.83 -0.10 0.00 0.01 0.00 0.00 54.13 53.27 2kum s LEU 45 Cb -0.12 -1.84 0.01 0.00 0.01 0.00 0.00 46.19 44.25 2kum s LEU 45 CO 0.02 -0.21 0.16 -2.28 1.01 0.00 0.00 176.35 175.05 2kum s HIS 46 N 1.45 3.21 0.30 0.29 2.46 -0.89 -1.01 115.29 121.10 2kum s HIS 46 Ca 0.01 -0.86 0.06 0.00 0.47 0.00 0.00 55.06 54.75 2kum s HIS 46 Cb -0.18 -2.37 -0.02 0.00 -0.13 0.00 0.00 32.58 29.89 2kum s HIS 46 CO 0.01 -0.57 0.41 -0.51 -2.47 0.00 0.00 174.74 171.61 2kum s LEU 47 N 1.56 4.05 0.54 8.88 1.02 0.11 -1.55 118.68 133.28 2kum s LEU 47 Ca 0.03 -0.13 0.32 0.00 0.02 0.00 0.00 54.13 54.37 2kum s LEU 47 Cb -0.18 -2.73 1.32 0.00 0.02 0.00 0.00 46.19 44.61 2kum s LEU 47 CO 0.06 -0.30 1.97 0.00 0.02 0.00 0.00 176.35 178.09 2kum h ALA 48 N 1.03 1.01 -0.00 4.21 0.00 -1.92 -3.04 119.26 120.54 2kum h ALA 48 Ca -0.48 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.41 2kum h ALA 48 Cb 1.25 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.03 2kum h ALA 48 CO 0.56 0.04 -0.11 1.04 0.00 0.00 0.00 179.25 180.77 2kum n GLN 49 N -3.14 2.84 -3.81 0.00 3.00 -1.26 -5.08 117.38 109.94 2kum n GLN 49 Ca 0.00 -0.37 -0.02 0.00 -0.01 0.00 0.00 57.00 56.61 2kum n GLN 49 Cb 0.32 -0.89 0.00 0.00 0.00 0.00 0.00 30.24 29.68 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 -0.95 1.09 -0.11 -1.09 1.70 -1.15 -5.16 118.95 113.28 2kum s ARG 50 Ca 0.04 -0.66 -0.04 0.00 -0.47 0.00 0.00 55.73 54.60 2kum s ARG 50 Cb 0.04 0.33 0.05 0.00 -0.57 0.00 0.00 34.95 34.80 2kum s ARG 50 CO 0.12 -0.50 0.22 -1.12 -1.08 0.00 0.00 175.30 172.94 2kum s SER 51 N -3.20 0.21 -0.09 -2.89 0.01 -1.26 0.05 113.70 106.53 2kum s SER 51 Ca 0.18 0.49 0.02 0.00 1.31 0.00 0.00 55.95 57.94 2kum s SER 51 Cb -0.01 0.47 -0.02 0.00 0.21 0.00 0.00 66.02 66.68 2kum s SER 51 CO 0.03 -0.21 -0.14 -0.63 0.41 0.00 0.00 173.24 172.70 2kum s ILE 52 N 1.94 3.05 -0.26 1.44 1.01 -0.18 -4.99 121.20 123.20 2kum s ILE 52 Ca -0.02 -0.69 -0.08 0.00 0.00 0.00 0.00 60.65 59.85 2kum s ILE 52 Cb -0.12 -2.24 -0.04 0.00 0.01 0.00 0.00 42.46 40.08 2kum s ILE 52 CO -0.08 0.55 0.11 0.00 0.00 0.00 0.00 174.94 175.53 2kum s ILE 54 N 1.61 5.29 0.10 0.00 1.01 -0.04 -0.11 121.20 129.05 2kum s ILE 54 Ca 0.06 -0.15 -0.31 0.00 0.00 0.00 0.00 60.65 60.26 2kum s ILE 54 Cb -0.15 -3.43 -0.09 0.00 0.01 0.00 0.00 42.46 38.79 2kum s ILE 54 CO 0.06 0.38 1.77 -2.28 0.00 0.00 0.00 174.94 174.87 2kum s HIS 55 N -1.25 2.18 0.17 3.97 5.65 -1.26 -2.68 115.29 122.07 2kum s HIS 55 Ca 0.24 0.07 -0.27 0.00 0.25 0.00 0.00 55.06 55.35 2kum s HIS 55 Cb -0.12 -4.11 0.01 0.00 -1.18 0.00 0.00 32.58 27.18 2kum s HIS 55 CO 0.15 -4.55 1.55 -1.35 -0.65 0.00 0.00 174.74 169.89 2kum h PRO 56 N 8.64 -0.10 -5.48 2.88 0.11 -1.87 -2.60 132.00 133.58 2kum h PRO 56 Ca -0.45 0.01 -0.69 0.00 0.11 0.00 0.00 66.00 64.98 2kum h PRO 56 Cb 1.21 0.02 -0.09 0.00 0.11 0.00 0.00 31.00 32.26 2kum h PRO 56 CO 0.94 -0.07 2.19 1.04 -0.21 0.00 0.00 178.00 181.89 2kum n GLN 57 N -5.35 3.19 -3.85 1.05 3.00 -1.26 -4.86 117.38 109.31 2kum n GLN 57 Ca 0.03 -3.29 -0.19 0.00 -0.01 0.00 0.00 57.00 53.54 2kum n GLN 57 Cb 0.32 -3.41 -0.17 0.00 0.00 0.00 0.00 30.24 26.99 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 3.87 0.76 0.52 1.08 2.47 -0.98 -5.02 114.94 117.64 2kum s ASN 58 Ca 0.52 -0.01 0.24 0.00 0.42 0.00 0.00 52.86 54.02 2kum s ASN 58 Cb 0.04 -0.24 1.37 0.00 -1.45 0.00 0.00 41.25 40.97 2kum s ASN 58 CO 0.05 -0.15 1.99 1.55 -3.72 0.00 0.00 177.10 176.83 2kum h PRO 59 N 7.68 0.03 -0.48 0.43 0.13 -1.90 -0.88 132.00 137.01 2kum h PRO 59 Ca -0.33 -0.00 -0.03 0.00 -0.87 0.00 0.00 66.00 64.78 2kum h PRO 59 Cb 1.13 -0.01 -0.02 0.00 0.13 0.00 0.00 31.00 32.23 2kum h PRO 59 CO 0.37 0.02 0.19 1.03 -0.23 0.00 0.00 178.00 179.38 2kum h SER 60 N 0.03 0.62 -0.06 1.44 0.87 -1.95 0.18 113.55 114.68 2kum h SER 60 Ca 0.26 -0.07 -0.04 0.00 -1.23 0.00 0.00 61.79 60.71 2kum h SER 60 Cb 0.98 -0.16 -0.00 0.00 -0.44 0.00 0.00 62.40 62.78 2kum h SER 60 CO -0.01 0.57 -0.10 0.25 -0.53 0.00 0.00 176.83 177.00 2kum h LEU 61 N 0.68 0.20 -0.00 2.23 7.12 -1.51 -1.13 115.31 122.90 2kum h LEU 61 Ca 0.16 -0.54 0.01 0.00 0.13 0.00 0.00 57.88 57.64 2kum h LEU 61 Cb 0.15 -0.06 -0.01 0.00 -0.53 0.00 0.00 40.66 40.21 2kum h LEU 61 CO -0.02 0.71 -0.05 0.28 -0.13 0.00 0.00 178.44 179.23 2kum h SER 62 N -0.30 -0.14 0.31 1.25 0.02 -1.30 -2.10 113.55 111.29 2kum h SER 62 Ca 0.00 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 2kum h SER 62 Cb 0.67 0.06 -0.01 0.00 0.14 0.00 0.00 62.40 63.26 2kum h SER 62 CO 0.02 -0.07 -0.23 0.06 -1.14 0.00 0.00 176.83 175.48 2kum h GLN 63 N -0.08 0.00 -0.26 3.45 3.07 -0.69 -2.21 115.11 118.38 2kum h GLN 63 Ca 0.02 0.00 -0.11 0.00 0.09 0.00 0.00 58.65 58.65 2kum h GLN 63 Cb 0.11 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 27.66 2kum h GLN 63 CO -0.05 0.23 -0.31 2.35 0.09 0.00 0.00 178.83 181.13 2kum h TRP 64 N 0.00 0.63 -0.25 0.06 -0.00 -0.56 0.44 115.95 116.28 2kum h TRP 64 Ca -0.00 -0.16 -0.03 0.00 -0.00 0.00 0.00 58.89 58.70 2kum h TRP 64 Cb 0.44 -0.15 -0.01 0.00 -0.00 0.00 0.00 29.16 29.44 2kum h TRP 64 CO 0.00 0.80 0.02 0.74 -0.00 0.00 0.00 178.44 180.00 2kum h PHE 65 N 0.47 0.37 -0.02 2.65 -1.00 -0.84 0.89 116.94 119.46 2kum h PHE 65 Ca 0.06 -0.02 -0.03 0.00 2.81 0.00 0.00 57.97 60.79 2kum h PHE 65 Cb 0.78 -0.11 0.00 0.00 3.61 0.00 0.00 35.95 40.22 2kum h PHE 65 CO 0.03 0.37 -0.09 0.93 -1.61 0.00 0.00 178.31 177.94 2kum h GLU 66 N 0.36 0.10 -0.36 1.51 5.08 -1.25 -3.03 114.58 117.00 2kum h GLU 66 Ca 0.08 -0.08 -0.09 0.00 -1.00 0.00 0.00 59.36 58.28 2kum h GLU 66 Cb 0.21 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.46 2kum h GLU 66 CO 0.00 0.71 -0.14 0.45 -1.00 0.00 0.00 179.01 179.04 2kum h HIS 67 N -0.50 0.69 0.00 4.33 3.86 0.32 -2.22 115.15 121.64 2kum h HIS 67 Ca -0.00 -0.12 -0.08 0.00 -1.16 0.00 0.00 60.37 59.00 2kum h HIS 67 Cb 0.73 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 29.01 2kum h HIS 67 CO 0.14 0.74 -0.37 -0.56 0.86 0.00 0.00 177.93 178.74 2kum h GLN 68 N 0.58 0.00 0.00 2.45 3.07 0.70 -1.39 115.11 120.52 2kum h GLN 68 Ca 0.10 0.00 -0.03 0.00 0.09 0.00 0.00 58.65 58.81 2kum h GLN 68 Cb 0.57 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.13 2kum h GLN 68 CO 0.04 0.37 -0.12 1.49 0.09 0.00 0.00 178.83 180.70 2kum h GLU 69 N 0.00 0.00 -0.50 0.06 4.81 -1.26 -2.23 114.58 115.46 2kum h GLU 69 Ca -0.00 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.23 2kum h GLU 69 Cb 0.69 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.07 2kum h GLU 69 CO 0.05 0.12 0.00 2.89 -0.73 0.00 0.00 179.01 181.34 2kum n ARG 70 N -4.23 2.88 0.00 1.92 1.85 -0.61 -4.82 116.66 113.65 2kum n ARG 70 Ca -0.03 -2.35 0.00 0.00 -1.00 0.00 0.00 57.85 54.48 2kum n ARG 70 Cb 0.20 -1.43 0.00 0.00 -1.05 0.00 0.00 32.46 30.18 2kum n ARG 70 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 71 N 0.90 0.68 0.00 2.89 5.02 -0.70 -4.95 118.16 121.99 2kum n LYS 71 Ca 0.17 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.46 2kum n LYS 71 Cb 0.54 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.55 2kum n LYS 71 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kum n LEU 72 N 0.00 0.00 0.00 -0.35 4.32 -1.26 -2.75 117.00 116.96 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 0.00 1.57 -1.22 0.00 0.00 177.39 177.74 2kum n HIS 73 N 0.00 0.00 -0.02 -1.77 -0.00 -1.26 -4.98 115.22 107.19 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kum n HIS 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2kum n GLY 74 N 0.00 0.99 3.12 1.57 0.00 -1.11 -5.08 105.19 104.68 2kum n GLY 74 Ca 0.00 -0.01 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 2kum n GLY 74 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2kum s THR 75 N -2.00 2.41 0.05 2.61 -4.23 -1.26 -5.10 115.64 108.12 2kum s THR 75 Ca 0.00 -1.39 -0.03 0.00 -1.18 0.00 0.00 61.69 59.08 2kum s THR 75 Cb 0.00 -2.33 -0.02 0.00 1.34 0.00 0.00 72.50 71.49 2kum s THR 75 CO 0.00 0.08 0.04 -0.76 -0.54 0.00 0.00 174.62 173.43 2kum s LEU 76 N 1.19 2.12 0.72 4.79 1.43 -1.26 -5.10 118.68 122.57 2kum s LEU 76 Ca -0.05 -0.78 -0.05 0.00 -1.03 0.00 0.00 54.13 52.23 2kum s LEU 76 Cb -0.18 0.42 0.10 0.00 0.03 0.00 0.00 46.19 46.56 2kum s LEU 76 CO -0.05 -0.57 1.02 -2.16 0.23 0.00 0.00 176.35 174.82 2kum s PRO 77 N -3.33 1.85 -1.18 1.29 0.04 -1.26 -4.96 135.00 127.45 2kum s PRO 77 Ca 0.01 -0.63 -0.07 0.00 0.04 0.00 0.00 61.00 60.35 2kum s PRO 77 Cb 0.03 -2.22 -0.02 0.00 0.04 0.00 0.00 34.50 32.33 2kum s PRO 77 CO -0.08 -1.40 2.83 0.36 0.04 0.00 0.00 177.00 178.75 2kum n LYS 78 N -2.93 3.66 -0.03 4.56 -0.00 -1.26 -4.42 118.16 117.75 2kum n LYS 78 Ca 0.11 -2.50 0.12 0.00 -0.00 0.00 0.00 58.31 56.04 2kum n LYS 78 Cb 0.60 -2.56 0.56 0.00 -0.00 0.00 0.00 35.03 33.63 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kum n LEU 79 N 2.49 0.82 -2.78 -5.58 -0.00 -1.26 -4.94 117.00 105.75 2kum n LEU 79 Ca 0.65 -0.32 -0.03 0.00 -0.00 0.00 0.00 56.01 56.31 2kum n LEU 79 Cb 0.36 -0.03 0.00 0.00 -0.00 0.00 0.00 43.42 43.75 2kum n LEU 79 CO 0.64 0.16 0.19 0.59 -0.00 0.00 0.00 177.39 178.97 2kum n ASN 80 N -0.28 -7.16 0.27 1.45 3.02 -1.26 -4.92 115.26 106.38 2kum n ASN 80 Ca 0.17 0.18 0.15 0.00 -0.03 0.00 0.00 54.58 55.06 2kum n ASN 80 Cb 0.21 -4.82 0.69 0.00 -0.61 0.00 0.00 39.78 35.25 2kum n ASN 80 CO 0.00 0.00 0.00 2.19 -2.62 0.00 0.00 177.26 176.83 2kum h PHE 81 N 1.02 0.00 0.00 3.10 -5.15 -1.92 -2.39 116.94 111.60 2kum h PHE 81 Ca 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.77 2kum h PHE 81 Cb 0.94 0.00 0.00 0.00 0.22 0.00 0.00 35.95 37.11 2kum h PHE 81 CO 0.14 0.07 0.00 0.41 -2.00 0.00 0.00 178.31 176.93 2kum n GLY 82 N -0.14 -0.64 0.31 6.09 0.00 -1.26 -3.16 105.19 106.40 2kum n GLY 82 Ca -0.00 -0.12 0.01 0.00 0.00 0.00 0.00 46.02 45.91 2kum n GLY 82 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 173.32 175.30 2kum h MET 83 N 0.00 0.69 0.00 1.61 -1.53 -1.78 -3.23 114.93 110.69 2kum h MET 83 Ca 0.00 -0.08 0.00 0.00 -3.44 0.00 0.00 59.70 56.18 2kum h MET 83 Cb 0.01 -0.14 0.00 0.00 -0.55 0.00 0.00 31.60 30.93 2kum h MET 83 CO 0.00 0.53 0.00 1.47 0.14 0.00 0.00 176.91 179.05 2kum n LEU 84 N -4.38 0.56 -4.74 3.39 -0.00 -1.19 -4.87 117.00 105.76 2kum n LEU 84 Ca 0.04 -0.69 -0.40 0.00 -0.00 0.00 0.00 56.01 54.96 2kum n LEU 84 Cb 0.12 0.00 -0.05 0.00 -0.00 0.00 0.00 43.42 43.49 2kum n LEU 84 CO 0.37 0.14 0.54 -0.13 -0.00 0.00 0.00 177.39 178.31 2kum s ARG 85 N -0.25 4.58 -0.24 1.47 0.52 -1.19 -2.74 118.95 121.11 2kum s ARG 85 Ca 0.00 1.22 0.00 0.00 -0.52 0.00 0.00 55.73 56.43 2kum s ARG 85 Cb 0.00 -3.36 0.00 0.00 0.52 0.00 0.00 34.95 32.11 2kum s ARG 85 CO 0.00 0.29 0.00 1.17 0.02 0.00 0.00 175.30 176.78 2kum n LYS 86 N 2.65 -0.92 -0.05 3.54 3.00 -1.26 -4.79 118.16 120.33 2kum n LYS 86 Ca -0.01 0.38 -0.02 0.00 -0.00 0.00 0.00 58.31 58.66 2kum n LYS 86 Cb 0.50 -4.16 -0.12 0.00 0.00 0.00 0.00 35.03 31.25 2kum n LYS 86 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 177.40 177.28 2kum n MET 87 N -1.41 1.23 0.00 1.64 1.56 -1.11 -5.19 117.12 113.85 2kum n MET 87 Ca -0.02 -0.05 0.00 0.00 -0.27 0.00 0.00 57.70 57.36 2kum n MET 87 Cb 0.26 -1.38 0.00 0.00 2.15 0.00 0.00 33.22 34.26 2kum n MET 87 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65