#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 2.14 -0.18 -2.13 0.05 -1.26 -5.10 118.68 112.20 2kum s LEU 2 Ca 0.00 -0.40 -0.29 0.00 0.05 0.00 0.00 54.13 53.49 2kum s LEU 2 Cb 0.00 -0.60 -0.04 0.00 -2.05 0.00 0.00 46.19 43.50 2kum s LEU 2 CO 0.00 0.06 1.79 -0.76 -0.55 0.00 0.00 176.35 176.89 2kum s LEU 3 N -0.94 3.89 0.20 1.48 2.01 -1.24 -4.94 118.68 119.14 2kum s LEU 3 Ca 0.02 1.83 -0.32 0.00 0.01 0.00 0.00 54.13 55.67 2kum s LEU 3 Cb -0.07 -3.53 -0.13 0.00 0.01 0.00 0.00 46.19 42.47 2kum s LEU 3 CO 0.01 -1.37 1.63 -2.65 1.01 0.00 0.00 176.35 174.97 2kum n PRO 4 N 7.87 2.47 -1.55 1.29 -0.02 -1.26 -2.94 135.00 140.86 2kum n PRO 4 Ca 0.21 0.89 -0.53 0.00 -2.02 0.00 0.00 63.50 62.05 2kum n PRO 4 Cb 0.45 -2.68 -0.07 0.00 -0.02 0.00 0.00 33.50 31.17 2kum n PRO 4 CO 0.00 0.00 0.00 -2.30 1.98 0.00 0.00 175.50 175.18 2kum n PRO 5 N 3.37 1.21 -0.87 0.52 -0.02 -1.26 -0.67 135.00 137.28 2kum n PRO 5 Ca 0.15 0.39 0.00 0.00 -2.02 0.00 0.00 63.50 62.02 2kum n PRO 5 Cb 0.32 -2.34 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 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 8.00 -2.69 -4.39 2.55 7.64 -1.26 -4.91 113.62 118.56 2kum n SER 6 Ca 0.35 0.00 -0.45 0.00 1.01 0.00 0.00 58.87 59.77 2kum n SER 6 Cb 0.20 -1.91 -0.02 0.00 -1.01 0.00 0.00 64.21 61.47 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kum s THR 7 N -1.78 5.30 -1.11 0.44 2.01 0.16 -4.98 115.64 115.68 2kum s THR 7 Ca 0.00 -2.30 -0.21 0.00 0.31 0.00 0.00 61.69 59.49 2kum s THR 7 Cb 0.00 -4.64 0.05 0.00 0.01 0.00 0.00 72.50 67.92 2kum s THR 7 CO 0.00 -1.28 1.58 0.00 -0.69 0.00 0.00 174.62 174.23 2kum s ALA 8 N 1.00 2.83 -0.17 7.40 0.00 -1.26 -4.41 121.76 127.15 2kum s ALA 8 Ca 0.27 -2.43 -0.04 0.00 0.00 0.00 0.00 51.96 49.76 2kum s ALA 8 Cb -0.07 -4.57 0.07 0.00 0.00 0.00 0.00 23.12 18.55 2kum s ALA 8 CO -0.08 -3.62 0.16 0.00 0.00 0.00 0.00 175.76 172.22 2kum n THR 11 N 4.77 1.18 -3.54 0.00 5.66 -1.26 -4.93 114.28 116.15 2kum n THR 11 Ca -0.17 -1.15 0.00 0.00 -3.05 0.00 0.00 64.05 59.68 2kum n THR 11 Cb 0.49 0.39 -0.04 0.00 -1.55 0.00 0.00 70.33 69.62 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 -1.28 0.48 0.13 1.09 1.03 -1.26 -5.16 119.66 114.69 2kum s GLN 12 Ca 0.20 1.18 -0.22 0.00 0.04 0.00 0.00 55.36 56.56 2kum s GLN 12 Cb 0.12 0.71 -0.07 0.00 0.03 0.00 0.00 33.01 33.80 2kum s GLN 12 CO 0.10 -0.18 0.68 -0.51 -2.54 0.00 0.00 175.29 172.85 2kum s LEU 13 N 2.74 4.54 0.17 2.60 1.43 -1.26 -4.75 118.68 124.15 2kum s LEU 13 Ca -0.04 1.46 -0.08 0.00 -1.03 0.00 0.00 54.13 54.45 2kum s LEU 13 Cb -0.10 -3.15 0.03 0.00 0.03 0.00 0.00 46.19 43.00 2kum s LEU 13 CO -0.18 0.22 1.50 0.22 0.23 0.00 0.00 176.35 178.33 2kum h TYR 14 N 4.33 0.96 0.00 0.29 3.20 -1.65 -3.47 116.97 120.63 2kum h TYR 14 Ca -0.48 -0.30 0.00 0.00 3.14 0.00 0.00 58.73 61.09 2kum h TYR 14 Cb 1.21 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2kum h TYR 14 CO 0.66 1.08 0.00 0.54 -1.64 0.00 0.00 178.16 178.80 2kum n ARG 15 N -4.03 0.00 -2.17 1.82 1.74 -1.26 -4.92 116.66 107.85 2kum n ARG 15 Ca -0.03 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.69 2kum n ARG 15 Cb 0.56 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 32.01 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 3.36 0.09 5.56 3.01 -1.26 -4.88 119.74 125.63 2kum s LYS 16 Ca 0.00 1.76 -0.31 0.00 -1.01 0.00 0.00 55.97 56.41 2kum s LYS 16 Cb 0.00 -2.12 -0.09 0.00 -1.01 0.00 0.00 37.83 34.61 2kum s LYS 16 CO 0.00 -0.87 1.67 -1.25 0.51 0.00 0.00 175.35 175.41 2kum s PRO 17 N -3.10 4.19 0.25 -1.68 0.04 -1.26 -4.96 135.00 128.48 2kum s PRO 17 Ca 0.71 2.38 -0.30 0.00 0.04 0.00 0.00 61.00 63.84 2kum s PRO 17 Cb -0.28 -3.53 -0.10 0.00 0.04 0.00 0.00 34.50 30.63 2kum s PRO 17 CO 0.32 -0.73 1.44 -0.51 0.04 0.00 0.00 177.00 177.55 2kum s LEU 18 N 2.42 4.39 0.57 -3.56 1.43 -1.26 -4.97 118.68 117.69 2kum s LEU 18 Ca 0.75 2.68 -0.19 0.00 -1.03 0.00 0.00 54.13 56.33 2kum s LEU 18 Cb -0.42 -3.62 -0.05 0.00 0.03 0.00 0.00 46.19 42.13 2kum s LEU 18 CO 0.33 -0.70 1.14 -0.44 0.23 0.00 0.00 176.35 176.91 2kum s SER 19 N 0.34 5.53 0.52 2.29 0.01 -1.26 -4.85 113.70 116.29 2kum s SER 19 Ca 0.59 2.20 0.22 0.00 1.31 0.00 0.00 55.95 60.27 2kum s SER 19 Cb -0.42 -2.58 1.34 0.00 0.21 0.00 0.00 66.02 64.57 2kum s SER 19 CO 0.44 -1.35 2.05 -0.78 0.41 0.00 0.00 173.24 174.00 2kum h ASP 20 N 0.99 0.01 -0.50 2.44 1.82 -1.98 -0.48 116.42 118.71 2kum h ASP 20 Ca -0.50 0.00 0.07 0.00 -0.39 0.00 0.00 57.03 56.21 2kum h ASP 20 Cb 1.27 -0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.22 2kum h ASP 20 CO 0.56 0.01 0.18 0.11 -1.61 0.00 0.00 179.24 178.48 2kum h LYS 21 N 0.01 0.34 -0.16 0.28 1.79 -2.00 -1.20 116.57 115.63 2kum h LYS 21 Ca 0.17 -0.02 -0.20 0.00 -2.18 0.00 0.00 60.65 58.42 2kum h LYS 21 Cb 0.67 -0.08 0.00 0.00 -1.58 0.00 0.00 32.23 31.24 2kum h LYS 21 CO -0.00 0.23 -0.71 -0.07 -1.08 0.00 0.00 179.45 177.81 2kum h LEU 22 N 0.35 0.80 -0.49 2.94 3.38 -1.48 -3.30 115.31 117.51 2kum h LEU 22 Ca 0.24 -0.50 0.04 0.00 0.09 0.00 0.00 57.88 57.75 2kum h LEU 22 Cb 0.26 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.74 2kum h LEU 22 CO -0.25 1.28 0.26 -0.07 0.09 0.00 0.00 178.44 179.74 2kum h LEU 23 N 0.48 0.38 0.00 1.67 4.07 -0.55 0.41 115.31 121.77 2kum h LEU 23 Ca -0.03 0.02 0.00 0.00 0.08 0.00 0.00 57.88 57.95 2kum h LEU 23 Cb 1.32 -0.05 0.00 0.00 1.08 0.00 0.00 40.66 43.01 2kum h LEU 23 CO 0.14 0.27 0.00 -2.11 -1.08 0.00 0.00 178.44 175.66 2kum n ARG 24 N -4.87 0.26 -0.03 1.13 1.85 -0.53 -1.67 116.66 112.79 2kum n ARG 24 Ca 0.04 0.12 0.05 0.00 -1.00 0.00 0.00 57.85 57.06 2kum n ARG 24 Cb 0.12 -1.50 0.06 0.00 -1.05 0.00 0.00 32.46 30.09 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 -1.25 0.90 -2.57 2.89 5.02 0.07 -4.65 118.16 118.57 2kum n LYS 25 Ca 0.08 -1.28 -0.33 0.00 -2.02 0.00 0.00 58.31 54.76 2kum n LYS 25 Cb 0.12 -1.20 -0.04 0.00 -0.02 0.00 0.00 35.03 33.89 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 -0.86 4.02 0.00 -0.18 1.01 -0.67 -1.00 120.40 122.73 2kum s VAL 26 Ca 0.13 1.21 0.00 0.00 0.00 0.00 0.00 61.98 63.32 2kum s VAL 26 Cb 0.09 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.96 2kum s VAL 26 CO 0.13 -0.32 0.00 2.30 0.00 0.00 0.00 175.10 177.21 2kum n ILE 27 N -1.01 0.00 -3.80 2.22 -5.35 0.96 -4.80 119.36 107.59 2kum n ILE 27 Ca 0.08 -0.01 -0.11 0.00 -0.27 0.00 0.00 62.75 62.45 2kum n ILE 27 Cb 0.53 0.32 -0.08 0.00 -1.74 0.00 0.00 39.64 38.68 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 -1.19 0.76 -0.22 6.28 -1.52 -0.48 -4.94 119.66 118.35 2kum s GLN 28 Ca 0.00 -0.58 -0.02 0.00 -1.95 0.00 0.00 55.36 52.80 2kum s GLN 28 Cb 0.00 0.32 0.01 0.00 -0.22 0.00 0.00 33.01 33.12 2kum s GLN 28 CO 0.00 -0.23 -0.08 0.08 -0.25 0.00 0.00 175.29 174.81 2kum s VAL 29 N -2.62 3.02 0.19 1.09 1.01 -1.26 -0.49 120.40 121.33 2kum s VAL 29 Ca -0.05 -0.70 0.08 0.00 0.00 0.00 0.00 61.98 61.32 2kum s VAL 29 Cb -0.01 -2.39 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 2kum s VAL 29 CO -0.04 0.39 -0.06 -1.61 0.00 0.00 0.00 175.10 173.79 2kum s GLU 30 N 1.41 2.19 -0.11 2.72 2.02 0.19 -4.96 118.70 122.16 2kum s GLU 30 Ca 0.04 -1.24 0.00 0.00 0.02 0.00 0.00 54.97 53.80 2kum s GLU 30 Cb -0.15 -2.22 0.02 0.00 0.10 0.00 0.00 34.13 31.89 2kum s GLU 30 CO -0.05 0.43 -0.10 -1.17 0.02 0.00 0.00 175.26 174.39 2kum s LEU 31 N -2.97 1.36 -0.59 1.80 2.96 -1.26 -0.35 118.68 119.63 2kum s LEU 31 Ca 0.26 -0.33 -0.28 0.00 -0.22 0.00 0.00 54.13 53.57 2kum s LEU 31 Cb -0.09 -0.90 0.02 0.00 0.50 0.00 0.00 46.19 45.72 2kum s LEU 31 CO 0.17 -0.08 1.40 -1.58 -1.32 0.00 0.00 176.35 174.94 2kum s GLN 32 N 1.45 3.26 0.18 1.98 0.74 0.11 -4.92 119.66 122.46 2kum s GLN 32 Ca 0.01 0.34 -0.30 0.00 0.05 0.00 0.00 55.36 55.45 2kum s GLN 32 Cb -0.13 -4.14 -0.08 0.00 1.10 0.00 0.00 33.01 29.75 2kum s GLN 32 CO -0.06 -2.00 1.32 -1.21 -0.55 0.00 0.00 175.29 172.79 2kum s GLU 33 N 5.60 4.38 0.00 1.67 2.02 -1.26 -2.55 118.70 128.56 2kum s GLU 33 Ca 0.50 2.05 0.00 0.00 0.02 0.00 0.00 54.97 57.53 2kum s GLU 33 Cb -0.10 -3.21 0.00 0.00 0.10 0.00 0.00 34.13 30.92 2kum s GLU 33 CO 0.23 -0.29 0.64 0.00 0.02 0.00 0.00 175.26 175.86 2kum n ALA 34 N 2.95 2.14 0.00 5.21 0.00 -1.22 -2.77 120.51 126.82 2kum n ALA 34 Ca 0.07 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.51 2kum n ALA 34 Cb 0.43 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.88 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 0.68 0.00 0.27 0.00 2.03 0.03 -4.31 116.55 115.25 2kum n ASP 35 Ca 0.00 0.00 0.10 0.00 0.52 0.00 0.00 54.79 55.41 2kum n ASP 35 Cb 0.32 0.00 0.71 0.00 -0.72 0.00 0.00 41.12 41.43 2kum n ASP 35 CO 0.00 0.00 0.00 1.23 -1.92 0.00 0.00 177.20 176.51 2kum h GLY 36 N 0.00 0.00 0.00 0.27 0.00 -1.90 -3.39 103.07 98.05 2kum h GLY 36 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kum h GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 176.54 177.88 2kum n ASP 37 N -4.31 0.33 -2.76 0.19 -0.08 -1.22 -5.01 116.55 103.70 2kum n ASP 37 Ca -0.03 0.13 -0.12 0.00 -1.51 0.00 0.00 54.79 53.27 2kum n ASP 37 Cb 0.10 -0.04 -0.03 0.00 2.34 0.00 0.00 41.12 43.50 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2kum h HIS 39 N 1.19 0.00 -1.24 0.00 3.86 -1.85 0.13 115.15 117.24 2kum h HIS 39 Ca -0.15 0.00 -0.54 0.00 -1.16 0.00 0.00 60.37 58.52 2kum h HIS 39 Cb 0.50 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 28.92 2kum h HIS 39 CO 0.00 0.41 -0.39 -0.48 0.86 0.00 0.00 177.93 178.33 2kum s LEU 40 N -6.52 3.09 -0.02 2.43 2.34 -1.26 -4.42 118.68 114.31 2kum s LEU 40 Ca 0.04 -1.01 0.05 0.00 0.06 0.00 0.00 54.13 53.26 2kum s LEU 40 Cb 0.08 -1.59 -0.03 0.00 -0.56 0.00 0.00 46.19 44.09 2kum s LEU 40 CO 0.72 -0.76 -0.15 -1.58 -1.06 0.00 0.00 176.35 173.52 2kum s GLN 41 N -4.11 2.39 -0.04 1.48 0.74 -1.26 -3.45 119.66 115.42 2kum s GLN 41 Ca 0.41 -0.77 -0.26 0.00 0.05 0.00 0.00 55.36 54.79 2kum s GLN 41 Cb -0.01 -2.34 0.06 0.00 1.10 0.00 0.00 33.01 31.82 2kum s GLN 41 CO 0.24 0.60 0.56 0.00 -0.55 0.00 0.00 175.29 176.14 2kum s ALA 42 N -0.81 -1.46 -0.29 1.58 0.00 -1.06 -4.74 121.76 115.00 2kum s ALA 42 Ca 0.13 1.00 -0.17 0.00 0.00 0.00 0.00 51.96 52.92 2kum s ALA 42 Cb -0.11 0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 2kum s ALA 42 CO 0.02 -0.34 0.49 -0.06 0.00 0.00 0.00 175.76 175.88 2kum s PHE 43 N -1.25 3.24 -0.11 0.00 0.08 -1.05 0.08 117.98 118.96 2kum s PHE 43 Ca -0.12 0.48 0.02 0.00 0.12 0.00 0.00 56.93 57.44 2kum s PHE 43 Cb -0.02 -2.75 -0.01 0.00 -0.57 0.00 0.00 43.02 39.68 2kum s PHE 43 CO 0.08 -0.34 -0.20 0.08 -0.10 0.00 0.00 175.22 174.74 2kum s VAL 44 N 2.30 2.42 -0.21 -0.44 1.01 0.52 -0.49 120.40 125.52 2kum s VAL 44 Ca 0.20 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.17 2kum s VAL 44 Cb -0.16 -1.96 -0.05 0.00 0.00 0.00 0.00 36.38 34.21 2kum s VAL 44 CO 0.10 0.55 0.21 -0.76 0.00 0.00 0.00 175.10 175.20 2kum s LEU 45 N 0.36 4.17 -0.47 3.92 1.43 0.67 0.57 118.68 129.33 2kum s LEU 45 Ca -0.16 0.28 -0.16 0.00 -1.03 0.00 0.00 54.13 53.06 2kum s LEU 45 Cb -0.17 -2.22 0.06 0.00 0.03 0.00 0.00 46.19 43.89 2kum s LEU 45 CO 0.08 0.08 0.44 -2.28 0.23 0.00 0.00 176.35 174.90 2kum s HIS 46 N 0.80 3.19 0.57 0.29 5.65 0.36 -0.01 115.29 126.14 2kum s HIS 46 Ca 0.11 -0.72 0.01 0.00 0.25 0.00 0.00 55.06 54.71 2kum s HIS 46 Cb -0.13 -3.14 0.04 0.00 -1.18 0.00 0.00 32.58 28.17 2kum s HIS 46 CO 0.03 -0.81 0.80 -0.51 -0.65 0.00 0.00 174.74 173.60 2kum s LEU 47 N 1.93 3.23 0.00 8.88 1.02 0.24 -0.03 118.68 133.96 2kum s LEU 47 Ca 0.08 -0.03 0.04 0.00 0.02 0.00 0.00 54.13 54.24 2kum s LEU 47 Cb -0.21 -2.80 0.26 0.00 0.02 0.00 0.00 46.19 43.46 2kum s LEU 47 CO 0.09 -1.21 0.74 0.00 0.02 0.00 0.00 176.35 175.98 2kum n ALA 48 N -2.40 2.02 0.02 4.21 0.00 -0.17 -2.84 120.51 121.35 2kum n ALA 48 Ca 0.09 -0.03 0.00 0.00 0.00 0.00 0.00 53.44 53.50 2kum n ALA 48 Cb 0.60 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.98 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 -0.64 0.00 -3.82 0.00 3.00 -1.26 -5.13 117.38 109.53 2kum n GLN 49 Ca 0.03 0.00 -0.08 0.00 -0.01 0.00 0.00 57.00 56.94 2kum n GLN 49 Cb 0.02 -0.47 0.02 0.00 0.00 0.00 0.00 30.24 29.81 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 -2.00 2.10 0.12 -1.09 1.04 -1.13 -4.97 118.95 113.03 2kum s ARG 50 Ca 0.00 -1.34 -0.01 0.00 -1.04 0.00 0.00 55.73 53.34 2kum s ARG 50 Cb 0.00 0.60 -0.04 0.00 -2.04 0.00 0.00 34.95 33.46 2kum s ARG 50 CO 0.00 -0.98 0.30 -1.12 -0.04 0.00 0.00 175.30 173.46 2kum s SER 51 N -3.10 6.40 0.05 -2.89 0.01 -1.15 -0.59 113.70 112.43 2kum s SER 51 Ca 0.16 0.37 0.08 0.00 1.31 0.00 0.00 55.95 57.86 2kum s SER 51 Cb -0.05 -2.00 -0.03 0.00 0.21 0.00 0.00 66.02 64.16 2kum s SER 51 CO 0.10 0.08 -0.21 -0.63 0.41 0.00 0.00 173.24 172.99 2kum s ILE 52 N -1.66 1.72 -0.19 1.44 1.01 0.99 -3.65 121.20 120.86 2kum s ILE 52 Ca 0.37 -1.23 -0.09 0.00 0.00 0.00 0.00 60.65 59.71 2kum s ILE 52 Cb -0.12 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.81 2kum s ILE 52 CO 0.27 0.21 0.10 0.00 0.00 0.00 0.00 174.94 175.52 2kum s ILE 54 N 0.40 2.02 0.02 0.00 1.01 0.36 -1.54 121.20 123.47 2kum s ILE 54 Ca 0.05 -1.26 -0.33 0.00 0.00 0.00 0.00 60.65 59.12 2kum s ILE 54 Cb -0.12 -1.71 -0.11 0.00 0.01 0.00 0.00 42.46 40.53 2kum s ILE 54 CO -0.01 0.40 1.84 1.57 0.00 0.00 0.00 174.94 178.75 2kum n HIS 55 N 2.01 2.41 -0.26 3.97 -0.00 -1.26 -2.54 115.22 119.54 2kum n HIS 55 Ca -0.17 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.72 57.48 2kum n HIS 55 Cb 0.52 -2.68 0.04 0.00 -0.00 0.00 0.00 29.99 27.87 2kum n HIS 55 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 2kum h PRO 56 N 8.76 -0.08 -4.42 1.57 0.11 -1.87 -2.19 132.00 133.88 2kum h PRO 56 Ca -0.48 0.01 -0.73 0.00 0.11 0.00 0.00 66.00 64.91 2kum h PRO 56 Cb 1.25 0.02 -0.14 0.00 0.11 0.00 0.00 31.00 32.24 2kum h PRO 56 CO 0.94 -0.05 1.92 1.04 -0.21 0.00 0.00 178.00 181.64 2kum n GLN 57 N -5.47 3.37 -4.30 1.05 1.13 -1.26 -4.84 117.38 107.07 2kum n GLN 57 Ca 0.08 -3.51 -0.26 0.00 -1.94 0.00 0.00 57.00 51.37 2kum n GLN 57 Cb 0.38 -3.10 -0.17 0.00 0.11 0.00 0.00 30.24 27.46 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 -1.44 0.00 0.00 177.06 176.83 2kum s ASN 58 N 2.44 2.01 0.41 1.08 3.84 -0.83 -5.02 114.94 118.86 2kum s ASN 58 Ca 0.44 -0.32 0.20 0.00 0.21 0.00 0.00 52.86 53.39 2kum s ASN 58 Cb 0.04 -0.87 1.15 0.00 -0.55 0.00 0.00 41.25 41.02 2kum s ASN 58 CO 0.00 -0.03 1.77 -0.65 -2.79 0.00 0.00 177.10 175.40 2kum h PRO 59 N 7.50 0.34 -0.23 0.43 0.11 -1.91 -0.51 132.00 137.74 2kum h PRO 59 Ca -0.31 -0.02 -0.03 0.00 0.11 0.00 0.00 66.00 65.75 2kum h PRO 59 Cb 1.16 -0.08 -0.01 0.00 0.11 0.00 0.00 31.00 32.18 2kum h PRO 59 CO 0.45 0.23 0.01 0.77 -0.21 0.00 0.00 178.00 179.25 2kum h SER 60 N 0.35 0.30 0.02 -2.05 0.02 -1.96 0.31 113.55 110.56 2kum h SER 60 Ca 0.60 -0.04 -0.08 0.00 -0.84 0.00 0.00 61.79 61.44 2kum h SER 60 Cb 1.60 -0.08 0.01 0.00 0.14 0.00 0.00 62.40 64.07 2kum h SER 60 CO -0.29 0.36 -0.31 0.25 -1.14 0.00 0.00 176.83 175.70 2kum h LEU 61 N 0.33 0.24 -0.01 5.07 7.12 -1.45 -1.52 115.31 125.08 2kum h LEU 61 Ca 0.08 -0.85 -0.00 0.00 0.13 0.00 0.00 57.88 57.24 2kum h LEU 61 Cb 0.21 -0.07 -0.00 0.00 -0.53 0.00 0.00 40.66 40.27 2kum h LEU 61 CO 0.00 1.06 0.01 0.28 -0.13 0.00 0.00 178.44 179.66 2kum h SER 62 N -0.56 0.02 0.22 1.25 0.02 -1.26 -2.00 113.55 111.25 2kum h SER 62 Ca -0.05 -0.08 -0.03 0.00 -0.84 0.00 0.00 61.79 60.79 2kum h SER 62 Cb 1.13 -0.00 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2kum h SER 62 CO 0.06 0.09 -0.14 0.06 -1.14 0.00 0.00 176.83 175.77 2kum h GLN 63 N -0.06 0.00 -0.50 3.45 3.07 -0.49 -1.64 115.11 118.95 2kum h GLN 63 Ca 0.00 0.00 -0.06 0.00 0.09 0.00 0.00 58.65 58.69 2kum h GLN 63 Cb 0.08 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 27.62 2kum h GLN 63 CO -0.00 0.14 0.07 2.35 0.09 0.00 0.00 178.83 181.48 2kum h TRP 64 N 0.00 0.82 -0.87 0.06 -0.00 -0.53 0.54 115.95 115.97 2kum h TRP 64 Ca -0.00 -0.09 0.07 0.00 -0.00 0.00 0.00 58.89 58.87 2kum h TRP 64 Cb 0.29 -0.23 -0.06 0.00 -0.00 0.00 0.00 29.16 29.15 2kum h TRP 64 CO 0.00 0.72 0.53 0.74 -0.00 0.00 0.00 178.44 180.44 2kum h PHE 65 N 0.75 0.98 -0.06 2.65 0.04 -0.91 0.82 116.94 121.21 2kum h PHE 65 Ca 0.16 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.91 2kum h PHE 65 Cb 0.36 -0.31 0.00 0.00 2.20 0.00 0.00 35.95 38.19 2kum h PHE 65 CO 0.02 0.48 -0.12 0.93 -0.60 0.00 0.00 178.31 179.01 2kum h GLU 66 N 0.95 0.19 -0.01 1.51 4.39 -1.29 -2.92 114.58 117.40 2kum h GLU 66 Ca 0.39 -0.13 -0.13 0.00 0.34 0.00 0.00 59.36 59.83 2kum h GLU 66 Cb 0.22 0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.87 2kum h GLU 66 CO -0.19 0.71 -0.60 0.45 -1.16 0.00 0.00 179.01 178.22 2kum h HIS 67 N -0.30 0.05 -0.38 4.33 3.86 0.48 -2.29 115.15 120.89 2kum h HIS 67 Ca 0.00 -0.02 -0.12 0.00 -1.16 0.00 0.00 60.37 59.07 2kum h HIS 67 Cb 0.71 -0.01 -0.01 0.00 1.06 0.00 0.00 27.41 29.16 2kum h HIS 67 CO 0.12 0.63 -0.25 0.37 0.86 0.00 0.00 177.93 179.66 2kum h GLN 68 N 0.03 0.78 -0.90 2.45 -0.00 0.55 -1.69 115.11 116.33 2kum h GLN 68 Ca -0.01 -0.33 0.19 0.00 -0.00 0.00 0.00 58.65 58.50 2kum h GLN 68 Cb 1.07 -0.03 -0.07 0.00 0.00 0.00 0.00 27.48 28.45 2kum h GLN 68 CO 0.08 0.95 0.59 1.49 0.00 0.00 0.00 178.83 181.94 2kum h GLU 69 N 0.68 0.46 -0.40 1.69 4.57 -1.20 0.98 114.58 121.34 2kum h GLU 69 Ca 0.09 -0.03 -0.24 0.00 -1.18 0.00 0.00 59.36 58.00 2kum h GLU 69 Cb 0.77 -0.10 -0.15 0.00 -0.16 0.00 0.00 28.75 29.10 2kum h GLU 69 CO 0.06 0.30 -0.20 2.89 -1.18 0.00 0.00 179.01 180.89 2kum n ARG 70 N -4.53 2.11 -1.47 1.92 1.85 -1.06 -4.43 116.66 111.06 2kum n ARG 70 Ca 0.19 -3.37 0.00 0.00 -1.00 0.00 0.00 57.85 53.67 2kum n ARG 70 Cb 0.65 -1.89 0.00 0.00 -1.05 0.00 0.00 32.46 30.17 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 -1.05 0.00 0.00 2.89 4.81 0.34 -4.99 118.16 120.16 2kum n LYS 71 Ca 0.35 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.79 2kum n LYS 71 Cb 0.96 0.00 0.00 0.00 0.02 0.00 0.00 35.03 36.01 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 -0.06 3.14 4.32 -1.26 -1.18 117.00 121.96 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 0.03 1.57 -1.22 0.00 0.00 177.39 177.77 2kum n HIS 73 N 0.00 0.00 -2.52 -1.77 -0.00 -1.26 -5.00 115.22 104.67 2kum n HIS 73 Ca 0.00 0.00 -0.05 0.00 0.46 0.00 0.00 57.72 58.13 2kum n HIS 73 Cb 0.00 0.16 0.02 0.00 -0.12 0.00 0.00 29.99 30.05 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 -0.60 2.64 1.57 0.00 -0.32 -5.06 105.19 103.42 2kum n GLY 74 Ca 0.00 0.23 -0.27 0.00 0.00 0.00 0.00 46.02 45.98 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 -3.13 0.16 -0.10 2.61 -4.23 -1.26 -5.09 115.64 104.60 2kum s THR 75 Ca 0.15 -0.52 -0.08 0.00 -1.18 0.00 0.00 61.69 60.06 2kum s THR 75 Cb -0.02 -0.89 0.03 0.00 1.34 0.00 0.00 72.50 72.96 2kum s THR 75 CO 0.46 -0.40 0.26 -0.22 -0.54 0.00 0.00 174.62 174.17 2kum s LEU 76 N 2.01 0.90 0.72 4.79 2.96 -1.26 -4.93 118.68 123.87 2kum s LEU 76 Ca 0.04 0.52 -0.11 0.00 -0.22 0.00 0.00 54.13 54.35 2kum s LEU 76 Cb -0.16 0.86 0.02 0.00 0.50 0.00 0.00 46.19 47.41 2kum s LEU 76 CO -0.17 -0.10 1.08 -2.16 -1.32 0.00 0.00 176.35 173.68 2kum s PRO 77 N 0.35 2.76 -1.40 0.98 0.04 -1.26 -4.95 135.00 131.51 2kum s PRO 77 Ca -0.02 0.70 -0.11 0.00 0.04 0.00 0.00 61.00 61.61 2kum s PRO 77 Cb -0.03 -1.99 0.08 0.00 0.04 0.00 0.00 34.50 32.60 2kum s PRO 77 CO -0.01 -1.16 2.22 1.63 0.04 0.00 0.00 177.00 179.71 2kum n LYS 78 N -3.13 3.49 -0.49 4.56 5.02 -1.26 -4.59 118.16 121.76 2kum n LYS 78 Ca 0.07 -3.01 0.04 0.00 -2.02 0.00 0.00 58.31 53.39 2kum n LYS 78 Cb 0.55 -3.00 0.22 0.00 -0.02 0.00 0.00 35.03 32.79 2kum n LYS 78 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2kum n LEU 79 N 4.33 3.57 -3.09 -0.35 7.99 -1.26 -4.85 117.00 123.33 2kum n LEU 79 Ca 0.52 -1.81 -0.23 0.00 -0.01 0.00 0.00 56.01 54.49 2kum n LEU 79 Cb 0.34 -0.60 0.03 0.00 -0.11 0.00 0.00 43.42 43.08 2kum n LEU 79 CO 0.84 0.46 -0.01 0.59 -1.51 0.00 0.00 177.39 177.76 2kum n ASN 80 N 0.35 -5.63 0.04 -1.43 3.02 -1.26 -4.86 115.26 105.49 2kum n ASN 80 Ca 0.15 -0.31 0.06 0.00 -0.03 0.00 0.00 54.58 54.45 2kum n ASN 80 Cb 0.76 -4.56 0.27 0.00 -0.61 0.00 0.00 39.78 35.65 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2kum n PHE 81 N -4.40 0.22 1.29 3.10 3.72 -1.26 -1.53 117.46 118.60 2kum n PHE 81 Ca -0.09 0.10 0.12 0.00 -0.05 0.00 0.00 57.45 57.52 2kum n PHE 81 Cb 0.60 -0.66 0.64 0.00 -0.94 0.00 0.00 39.48 39.13 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 -0.64 -0.88 0.00 1.37 0.00 -1.26 -3.58 105.19 100.20 2kum n GLY 82 Ca 0.02 -0.13 0.03 0.00 0.00 0.00 0.00 46.02 45.94 2kum n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kum n MET 83 N -1.13 0.00 0.00 1.61 0.00 -0.58 -3.10 117.12 113.91 2kum n MET 83 Ca 0.15 0.38 0.00 0.00 0.00 0.00 0.00 57.70 58.23 2kum n MET 83 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.85 2kum n MET 83 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 2kum n LEU 84 N -1.50 0.00 -4.65 3.17 -0.00 -1.23 -4.96 117.00 107.83 2kum n LEU 84 Ca 0.02 -0.20 -0.43 0.00 -0.00 0.00 0.00 56.01 55.40 2kum n LEU 84 Cb 0.08 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.47 2kum n LEU 84 CO 0.06 0.22 1.24 -0.13 -0.00 0.00 0.00 177.39 178.78 2kum s ARG 85 N 0.00 4.07 0.00 1.47 0.52 -1.18 -1.26 118.95 122.58 2kum s ARG 85 Ca 0.00 1.77 0.00 0.00 -0.52 0.00 0.00 55.73 56.98 2kum s ARG 85 Cb 0.00 -3.91 0.00 0.00 0.52 0.00 0.00 34.95 31.56 2kum s ARG 85 CO 0.00 -0.94 0.00 1.17 0.02 0.00 0.00 175.30 175.55 2kum n LYS 86 N 7.10 -0.23 -0.00 3.54 3.00 -1.26 -4.73 118.16 125.58 2kum n LYS 86 Ca 0.16 0.06 0.07 0.00 -0.00 0.00 0.00 58.31 58.60 2kum n LYS 86 Cb 0.44 -3.60 -0.10 0.00 0.00 0.00 0.00 35.03 31.77 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 -1.78 1.39 0.00 1.64 1.56 -0.60 -5.25 117.12 114.08 2kum n MET 87 Ca 0.00 -0.06 0.00 0.00 -0.27 0.00 0.00 57.70 57.37 2kum n MET 87 Cb 0.06 -1.27 0.00 0.00 2.15 0.00 0.00 33.22 34.15 2kum n MET 87 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65