#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 4.38 -0.37 -2.13 0.05 -1.26 -5.04 118.68 114.31 2kum s LEU 2 Ca 0.00 0.97 -0.29 0.00 0.05 0.00 0.00 54.13 54.86 2kum s LEU 2 Cb 0.00 -3.03 0.01 0.00 -2.05 0.00 0.00 46.19 41.12 2kum s LEU 2 CO 0.00 0.18 1.22 -0.76 -0.55 0.00 0.00 176.35 176.43 2kum s LEU 3 N -1.73 3.78 0.52 1.48 2.01 -1.26 -5.02 118.68 118.46 2kum s LEU 3 Ca 0.33 0.91 -0.20 0.00 0.01 0.00 0.00 54.13 55.18 2kum s LEU 3 Cb -0.15 -3.54 -0.07 0.00 0.01 0.00 0.00 46.19 42.44 2kum s LEU 3 CO 0.18 -1.13 1.11 -2.84 1.01 0.00 0.00 176.35 174.68 2kum s PRO 4 N 4.22 3.53 0.08 1.29 0.02 -1.26 -4.78 135.00 138.11 2kum s PRO 4 Ca 0.52 1.56 -0.31 0.00 0.02 0.00 0.00 61.00 62.80 2kum s PRO 4 Cb -0.12 -2.08 -0.10 0.00 0.02 0.00 0.00 34.50 32.22 2kum s PRO 4 CO 0.25 -0.70 1.92 -0.35 -0.33 0.00 0.00 177.00 177.79 2kum n PRO 5 N -1.10 2.86 -1.24 5.54 -0.04 -1.26 -1.51 135.00 138.25 2kum n PRO 5 Ca 0.10 1.05 -0.08 0.00 -0.04 0.00 0.00 63.50 64.53 2kum n PRO 5 Cb 0.51 -2.98 -0.04 0.00 -0.04 0.00 0.00 33.50 30.96 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kum n SER 6 N 6.66 -4.81 -2.39 3.54 7.64 -1.26 -4.82 113.62 118.17 2kum n SER 6 Ca 0.19 0.20 -0.15 0.00 1.01 0.00 0.00 58.87 60.13 2kum n SER 6 Cb 0.39 -3.04 0.03 0.00 -1.01 0.00 0.00 64.21 60.59 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 -2.49 1.97 -3.05 0.44 -1.04 -0.57 -5.04 114.28 104.50 2kum n THR 7 Ca -0.08 -3.74 -0.44 0.00 -2.04 0.00 0.00 64.05 57.76 2kum n THR 7 Cb 0.41 -0.15 -0.05 0.00 -1.82 0.00 0.00 70.33 68.71 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 -3.65 3.32 -0.64 2.41 0.00 -1.24 -4.27 121.76 117.69 2kum s ALA 8 Ca 0.41 -1.79 0.05 0.00 0.00 0.00 0.00 51.96 50.63 2kum s ALA 8 Cb 0.38 -3.53 0.19 0.00 0.00 0.00 0.00 23.12 20.16 2kum s ALA 8 CO -0.01 -2.26 0.53 0.00 0.00 0.00 0.00 175.76 174.02 2kum n THR 11 N 5.63 0.00 -4.15 0.00 -2.24 -1.26 -4.86 114.28 107.40 2kum n THR 11 Ca 0.15 -0.18 -0.10 0.00 -2.27 0.00 0.00 64.05 61.66 2kum n THR 11 Cb 0.45 0.22 -0.10 0.00 -2.10 0.00 0.00 70.33 68.80 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 -2.04 0.83 -0.01 -0.78 1.03 -1.26 -5.17 119.66 112.26 2kum s GLN 12 Ca 0.40 -1.36 0.00 0.00 0.04 0.00 0.00 55.36 54.44 2kum s GLN 12 Cb 0.21 0.04 0.01 0.00 0.03 0.00 0.00 33.01 33.30 2kum s GLN 12 CO 0.36 -0.13 -0.01 -0.51 -2.54 0.00 0.00 175.29 172.46 2kum s LEU 13 N -3.03 1.60 0.13 2.60 1.43 -1.26 -4.80 118.68 115.35 2kum s LEU 13 Ca 0.16 -0.02 -0.15 0.00 -1.03 0.00 0.00 54.13 53.09 2kum s LEU 13 Cb 0.07 -0.13 -0.02 0.00 0.03 0.00 0.00 46.19 46.14 2kum s LEU 13 CO -0.03 -0.04 1.57 0.22 0.23 0.00 0.00 176.35 178.30 2kum h TYR 14 N 6.64 0.78 0.00 0.29 3.20 -0.98 -3.46 116.97 123.45 2kum h TYR 14 Ca -0.34 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.39 2kum h TYR 14 Cb 1.17 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.24 2kum h TYR 14 CO 0.45 0.79 0.00 0.54 -1.64 0.00 0.00 178.16 178.30 2kum n ARG 15 N -4.44 0.00 -2.37 1.82 1.74 -1.26 -4.92 116.66 107.23 2kum n ARG 15 Ca -0.01 0.00 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 2kum n ARG 15 Cb 0.29 -0.09 -0.02 0.00 -1.02 0.00 0.00 32.46 31.62 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 3.69 0.45 5.56 -0.14 -1.26 -4.96 119.74 123.07 2kum s LYS 16 Ca 0.00 1.58 -0.25 0.00 -1.36 0.00 0.00 55.97 55.94 2kum s LYS 16 Cb 0.00 -2.21 -0.08 0.00 -1.68 0.00 0.00 37.83 33.86 2kum s LYS 16 CO 0.00 -0.56 1.34 -1.25 -0.76 0.00 0.00 175.35 174.12 2kum s PRO 17 N -3.00 3.73 0.24 -1.68 0.04 -1.26 -5.01 135.00 128.06 2kum s PRO 17 Ca 0.67 2.22 -0.12 0.00 0.04 0.00 0.00 61.00 63.81 2kum s PRO 17 Cb -0.23 -2.62 -0.08 0.00 0.04 0.00 0.00 34.50 31.61 2kum s PRO 17 CO 0.27 -0.71 0.61 -0.51 0.04 0.00 0.00 177.00 176.70 2kum s LEU 18 N -2.74 4.18 0.19 -3.56 1.43 -1.26 -5.03 118.68 111.88 2kum s LEU 18 Ca 0.61 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.47 2kum s LEU 18 Cb -0.39 -3.71 -0.09 0.00 0.03 0.00 0.00 46.19 42.02 2kum s LEU 18 CO 0.50 -0.07 1.35 -0.44 0.23 0.00 0.00 176.35 177.92 2kum s SER 19 N -2.19 6.83 0.53 2.29 0.01 -1.26 -4.90 113.70 115.01 2kum s SER 19 Ca 0.47 2.43 0.19 0.00 1.31 0.00 0.00 55.95 60.36 2kum s SER 19 Cb -0.12 -2.61 1.39 0.00 0.21 0.00 0.00 66.02 64.89 2kum s SER 19 CO 0.20 -0.59 2.16 -0.78 0.41 0.00 0.00 173.24 174.64 2kum h ASP 20 N 5.68 0.00 -0.29 2.44 3.58 -1.98 0.69 116.42 126.54 2kum h ASP 20 Ca -0.44 0.00 -0.05 0.00 0.42 0.00 0.00 57.03 56.96 2kum h ASP 20 Cb 1.21 0.00 -0.01 0.00 1.72 0.00 0.00 39.33 42.25 2kum h ASP 20 CO 0.80 0.02 -0.01 0.11 -2.88 0.00 0.00 179.24 177.28 2kum h LYS 21 N 0.00 0.52 0.00 0.28 1.57 -2.00 -1.05 116.57 115.89 2kum h LYS 21 Ca -0.00 -0.17 -0.10 0.00 -1.87 0.00 0.00 60.65 58.51 2kum h LYS 21 Cb 0.03 -0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 2kum h LYS 21 CO 0.00 0.68 -0.49 1.37 -0.57 0.00 0.00 179.45 180.44 2kum h LEU 22 N 0.31 0.00 -0.29 2.94 8.10 -1.71 -3.18 115.31 121.48 2kum h LEU 22 Ca 0.08 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.06 2kum h LEU 22 Cb 0.45 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.66 2kum h LEU 22 CO 0.02 0.49 0.14 -0.07 -4.11 0.00 0.00 178.44 174.91 2kum h LEU 23 N 0.00 0.39 -0.71 0.17 3.38 -0.60 -1.96 115.31 115.98 2kum h LEU 23 Ca -0.00 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kum h LEU 23 Cb 1.04 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.69 2kum h LEU 23 CO 0.06 0.41 0.00 -2.11 0.09 0.00 0.00 178.44 176.89 2kum n ARG 24 N -4.78 0.09 -0.35 1.13 1.85 -0.42 -0.06 116.66 114.11 2kum n ARG 24 Ca -0.02 0.52 0.11 0.00 -1.00 0.00 0.00 57.85 57.46 2kum n ARG 24 Cb 0.11 -1.75 0.31 0.00 -1.05 0.00 0.00 32.46 30.08 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 -1.93 2.74 -2.72 2.89 5.02 -0.75 -4.30 118.16 119.11 2kum n LYS 25 Ca 0.00 -2.61 -0.42 0.00 -2.02 0.00 0.00 58.31 53.27 2kum n LYS 25 Cb 0.07 -1.54 -0.04 0.00 -0.02 0.00 0.00 35.03 33.49 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 -1.01 4.68 -0.20 -0.18 1.01 0.91 -2.58 120.40 123.02 2kum s VAL 26 Ca 0.47 2.07 0.05 0.00 0.00 0.00 0.00 61.98 64.57 2kum s VAL 26 Cb 0.24 -4.32 -0.21 0.00 0.00 0.00 0.00 36.38 32.09 2kum s VAL 26 CO 0.32 0.24 0.03 2.30 0.00 0.00 0.00 175.10 177.99 2kum n ILE 27 N 3.32 1.53 -3.87 2.22 -5.35 -0.46 -4.79 119.36 111.96 2kum n ILE 27 Ca 0.04 -0.68 -0.09 0.00 -0.27 0.00 0.00 62.75 61.75 2kum n ILE 27 Cb 0.50 -1.20 -0.08 0.00 -1.74 0.00 0.00 39.64 37.12 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 -2.53 0.75 -0.08 6.28 -1.52 -1.08 -4.55 119.66 116.94 2kum s GLN 28 Ca -0.24 -0.83 0.03 0.00 -1.95 0.00 0.00 55.36 52.37 2kum s GLN 28 Cb 0.08 0.31 -0.02 0.00 -0.22 0.00 0.00 33.01 33.16 2kum s GLN 28 CO 0.71 -0.22 -0.17 0.08 -0.25 0.00 0.00 175.29 175.43 2kum s VAL 29 N -3.27 2.72 -0.03 1.09 1.01 -1.26 -1.51 120.40 119.15 2kum s VAL 29 Ca 0.00 -0.81 0.05 0.00 0.00 0.00 0.00 61.98 61.22 2kum s VAL 29 Cb 0.02 -2.08 -0.01 0.00 0.00 0.00 0.00 36.38 34.32 2kum s VAL 29 CO -0.08 0.56 -0.18 -1.83 0.00 0.00 0.00 175.10 173.57 2kum s GLU 30 N -0.11 1.67 -0.34 2.72 -1.05 -0.10 -4.95 118.70 116.54 2kum s GLU 30 Ca -0.03 -0.64 -0.15 0.00 -0.15 0.00 0.00 54.97 54.00 2kum s GLU 30 Cb -0.14 -1.52 -0.01 0.00 -0.44 0.00 0.00 34.13 32.02 2kum s GLU 30 CO 0.04 0.32 0.36 -1.17 0.95 0.00 0.00 175.26 175.76 2kum s LEU 31 N -0.18 4.44 -0.51 1.83 2.96 -1.26 -0.96 118.68 125.00 2kum s LEU 31 Ca 0.01 -0.24 -0.27 0.00 -0.22 0.00 0.00 54.13 53.41 2kum s LEU 31 Cb -0.10 -2.34 -0.01 0.00 0.50 0.00 0.00 46.19 44.25 2kum s LEU 31 CO 0.01 -0.34 1.72 -1.58 -1.32 0.00 0.00 176.35 174.84 2kum s GLN 32 N 2.02 3.02 0.11 1.98 0.74 0.10 -4.95 119.66 122.67 2kum s GLN 32 Ca 0.12 0.82 -0.31 0.00 0.05 0.00 0.00 55.36 56.04 2kum s GLN 32 Cb -0.17 -4.26 -0.08 0.00 1.10 0.00 0.00 33.01 29.61 2kum s GLN 32 CO 0.12 -2.26 1.36 -1.21 -0.55 0.00 0.00 175.29 172.75 2kum s GLU 33 N 6.21 4.34 0.00 1.67 2.02 -1.26 -2.34 118.70 129.34 2kum s GLU 33 Ca 0.67 2.03 0.00 0.00 0.02 0.00 0.00 54.97 57.69 2kum s GLU 33 Cb -0.15 -3.26 0.00 0.00 0.10 0.00 0.00 34.13 30.82 2kum s GLU 33 CO 0.26 -0.41 0.67 0.00 0.02 0.00 0.00 175.26 175.80 2kum n ALA 34 N 3.93 2.47 0.22 5.21 0.00 -1.25 -1.50 120.51 129.60 2kum n ALA 34 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 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 0.19 -3.41 -0.32 0.00 2.03 -0.43 -4.45 116.55 110.16 2kum n ASP 35 Ca 0.00 0.82 -0.03 0.00 0.52 0.00 0.00 54.79 56.10 2kum n ASP 35 Cb 0.33 3.22 0.11 0.00 -0.72 0.00 0.00 41.12 44.06 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 1.32 0.00 0.27 0.00 -1.99 -3.38 103.07 99.29 2kum h GLY 36 Ca 0.00 -0.58 0.00 0.00 0.00 0.00 0.00 47.33 46.75 2kum h GLY 36 CO 0.00 0.55 -0.39 1.34 0.00 0.00 0.00 176.54 178.04 2kum n ASP 37 N -4.34 1.23 -4.87 0.19 -0.08 -1.24 -5.08 116.55 102.37 2kum n ASP 37 Ca 0.10 0.19 -0.28 0.00 -1.51 0.00 0.00 54.79 53.29 2kum n ASP 37 Cb 0.08 -0.48 -0.02 0.00 2.34 0.00 0.00 41.12 43.04 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 0.91 0.05 -2.55 0.00 3.86 -1.78 -1.13 115.15 114.51 2kum h HIS 39 Ca -0.39 -0.03 -0.58 0.00 -1.16 0.00 0.00 60.37 58.21 2kum h HIS 39 Cb 1.30 -0.00 -0.10 0.00 1.06 0.00 0.00 27.41 29.67 2kum h HIS 39 CO 1.08 1.06 -0.65 -0.48 0.86 0.00 0.00 177.93 179.79 2kum s LEU 40 N -6.30 3.25 -0.04 2.43 2.34 -1.26 -4.58 118.68 114.52 2kum s LEU 40 Ca -0.05 -0.52 -0.06 0.00 0.06 0.00 0.00 54.13 53.56 2kum s LEU 40 Cb 0.08 -1.84 -0.04 0.00 -0.56 0.00 0.00 46.19 43.83 2kum s LEU 40 CO 0.82 0.04 0.20 -1.58 -1.06 0.00 0.00 176.35 174.78 2kum s GLN 41 N -3.31 3.50 -0.03 1.48 0.74 -1.26 -3.90 119.66 116.88 2kum s GLN 41 Ca 0.29 -0.16 -0.15 0.00 0.05 0.00 0.00 55.36 55.39 2kum s GLN 41 Cb -0.08 -3.13 0.03 0.00 1.10 0.00 0.00 33.01 30.93 2kum s GLN 41 CO 0.19 0.70 0.33 0.00 -0.55 0.00 0.00 175.29 175.97 2kum s ALA 42 N -1.21 -0.84 -0.46 1.58 0.00 -0.99 -4.64 121.76 115.20 2kum s ALA 42 Ca 0.23 0.46 -0.16 0.00 0.00 0.00 0.00 51.96 52.50 2kum s ALA 42 Cb -0.13 -0.02 0.05 0.00 0.00 0.00 0.00 23.12 23.03 2kum s ALA 42 CO 0.13 -0.25 0.40 -0.06 0.00 0.00 0.00 175.76 175.98 2kum s PHE 43 N -1.11 3.22 -0.16 0.00 0.08 0.44 0.03 117.98 120.47 2kum s PHE 43 Ca -0.12 -0.76 -0.05 0.00 0.12 0.00 0.00 56.93 56.13 2kum s PHE 43 Cb -0.05 -3.05 -0.03 0.00 -0.57 0.00 0.00 43.02 39.32 2kum s PHE 43 CO 0.04 -0.76 0.01 0.08 -0.10 0.00 0.00 175.22 174.49 2kum s VAL 44 N 1.80 4.36 -0.18 -0.44 1.01 -0.13 -1.66 120.40 125.16 2kum s VAL 44 Ca 0.06 -0.19 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 2kum s VAL 44 Cb -0.22 -2.93 -0.04 0.00 0.00 0.00 0.00 36.38 33.19 2kum s VAL 44 CO 0.09 0.49 0.05 -0.76 0.00 0.00 0.00 175.10 174.97 2kum s LEU 45 N 0.22 3.78 -0.32 3.92 1.43 -0.12 -0.92 118.68 126.67 2kum s LEU 45 Ca 0.01 0.07 -0.02 0.00 -1.03 0.00 0.00 54.13 53.16 2kum s LEU 45 Cb -0.13 -1.95 0.06 0.00 0.03 0.00 0.00 46.19 44.20 2kum s LEU 45 CO 0.02 0.18 0.04 -2.28 0.23 0.00 0.00 176.35 174.53 2kum s HIS 46 N 0.35 3.33 0.80 0.29 2.46 -0.57 -1.35 115.29 120.61 2kum s HIS 46 Ca 0.03 -1.97 -0.12 0.00 0.47 0.00 0.00 55.06 53.46 2kum s HIS 46 Cb -0.12 -2.33 0.07 0.00 -0.13 0.00 0.00 32.58 30.07 2kum s HIS 46 CO 0.00 -0.83 1.15 -0.51 -2.47 0.00 0.00 174.74 172.08 2kum s LEU 47 N 1.23 2.53 0.63 8.88 1.02 0.74 -1.35 118.68 132.35 2kum s LEU 47 Ca -0.02 0.90 0.32 0.00 0.02 0.00 0.00 54.13 55.35 2kum s LEU 47 Cb -0.20 -3.44 1.75 0.00 0.02 0.00 0.00 46.19 44.31 2kum s LEU 47 CO -0.02 -1.87 2.06 0.00 0.02 0.00 0.00 176.35 176.54 2kum h ALA 48 N -1.03 1.58 0.00 4.21 0.00 -1.85 -2.95 119.26 119.23 2kum h ALA 48 Ca -0.46 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 2kum h ALA 48 Cb 1.31 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.11 2kum h ALA 48 CO 0.65 -0.32 0.00 0.00 0.00 0.00 0.00 179.25 179.58 2kum n GLN 49 N -3.39 0.04 -4.03 0.00 0.00 -1.26 -5.09 117.38 103.66 2kum n GLN 49 Ca 0.01 -0.25 -0.08 0.00 0.00 0.00 0.00 57.00 56.68 2kum n GLN 49 Cb 0.35 -0.54 -0.10 0.00 0.00 0.00 0.00 30.24 29.95 2kum n GLN 49 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.06 178.09 2kum s ARG 50 N -0.03 0.57 -0.06 2.61 0.52 -1.11 -5.15 118.95 116.29 2kum s ARG 50 Ca 0.00 -1.02 -0.00 0.00 -0.52 0.00 0.00 55.73 54.18 2kum s ARG 50 Cb 0.00 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.70 2kum s ARG 50 CO 0.00 -0.12 -0.02 -1.12 0.02 0.00 0.00 175.30 174.06 2kum s SER 51 N -2.54 1.33 -0.06 0.23 0.01 -1.26 -0.19 113.70 111.22 2kum s SER 51 Ca 0.01 -0.12 0.04 0.00 1.31 0.00 0.00 55.95 57.19 2kum s SER 51 Cb 0.03 -0.46 0.00 0.00 0.21 0.00 0.00 66.02 65.80 2kum s SER 51 CO -0.08 -0.13 -0.17 -0.63 0.41 0.00 0.00 173.24 172.65 2kum s ILE 52 N 1.49 1.44 -0.26 1.44 1.01 -0.46 -4.83 121.20 121.03 2kum s ILE 52 Ca -0.02 -0.69 -0.10 0.00 0.00 0.00 0.00 60.65 59.84 2kum s ILE 52 Cb -0.13 -1.26 -0.04 0.00 0.01 0.00 0.00 42.46 41.04 2kum s ILE 52 CO -0.03 0.42 0.15 0.00 0.00 0.00 0.00 174.94 175.47 2kum s ILE 54 N 1.51 2.40 0.20 0.00 1.01 -0.67 -0.20 121.20 125.46 2kum s ILE 54 Ca 0.07 -0.93 -0.30 0.00 0.00 0.00 0.00 60.65 59.49 2kum s ILE 54 Cb -0.15 -1.92 -0.08 0.00 0.01 0.00 0.00 42.46 40.31 2kum s ILE 54 CO 0.07 0.56 1.24 -2.28 0.00 0.00 0.00 174.94 174.54 2kum s HIS 55 N -0.04 3.35 0.94 3.97 5.65 -1.26 -0.42 115.29 127.47 2kum s HIS 55 Ca -0.06 1.35 -0.13 0.00 0.25 0.00 0.00 55.06 56.48 2kum s HIS 55 Cb -0.15 -3.50 0.04 0.00 -1.18 0.00 0.00 32.58 27.79 2kum s HIS 55 CO 0.05 -1.48 0.46 -2.30 -0.65 0.00 0.00 174.74 170.82 2kum n PRO 56 N 2.46 -0.28 -2.14 2.88 -0.02 -1.26 -3.06 135.00 133.59 2kum n PRO 56 Ca 0.05 -0.04 -0.16 0.00 -2.02 0.00 0.00 63.50 61.33 2kum n PRO 56 Cb 0.44 -1.89 -0.02 0.00 -0.02 0.00 0.00 33.50 32.01 2kum n PRO 56 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 2kum n GLN 57 N -1.83 -1.24 -3.80 -0.52 3.00 -1.26 -5.00 117.38 106.74 2kum n GLN 57 Ca 0.07 0.83 -0.36 0.00 -0.01 0.00 0.00 57.00 57.53 2kum n GLN 57 Cb 0.53 -5.17 -0.11 0.00 0.00 0.00 0.00 30.24 25.49 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 -2.39 5.66 0.34 1.08 3.84 -1.17 -5.00 114.94 117.30 2kum s ASN 58 Ca 0.00 -0.01 0.12 0.00 0.21 0.00 0.00 52.86 53.19 2kum s ASN 58 Cb 0.00 -2.01 0.96 0.00 -0.55 0.00 0.00 41.25 39.65 2kum s ASN 58 CO 0.00 0.06 1.74 -0.65 -2.79 0.00 0.00 177.10 175.46 2kum h PRO 59 N 7.58 0.51 0.00 0.43 0.11 -1.94 -0.02 132.00 138.67 2kum h PRO 59 Ca -0.37 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.67 2kum h PRO 59 Cb 1.17 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 32.16 2kum h PRO 59 CO 0.63 0.34 -0.17 1.03 -0.21 0.00 0.00 178.00 179.62 2kum h SER 60 N 0.52 0.00 0.03 -2.05 0.87 -1.95 0.23 113.55 111.21 2kum h SER 60 Ca 0.63 0.00 -0.05 0.00 -1.23 0.00 0.00 61.79 61.14 2kum h SER 60 Cb 1.32 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.29 2kum h SER 60 CO -0.42 0.17 -0.22 0.25 -0.53 0.00 0.00 176.83 176.08 2kum h LEU 61 N 0.00 0.12 -0.11 2.23 7.12 -1.38 -2.40 115.31 120.88 2kum h LEU 61 Ca -0.00 -0.98 -0.01 0.00 0.13 0.00 0.00 57.88 57.02 2kum h LEU 61 Cb 0.30 -0.04 -0.00 0.00 -0.53 0.00 0.00 40.66 40.39 2kum h LEU 61 CO 0.02 1.10 0.05 0.28 -0.13 0.00 0.00 178.44 179.76 2kum h SER 62 N -0.84 0.15 0.02 1.25 0.02 -1.24 -1.82 113.55 111.09 2kum h SER 62 Ca -0.04 -0.16 -0.00 0.00 -0.84 0.00 0.00 61.79 60.75 2kum h SER 62 Cb 1.16 -0.04 -0.00 0.00 0.14 0.00 0.00 62.40 63.66 2kum h SER 62 CO 0.03 0.27 -0.02 1.56 -1.14 0.00 0.00 176.83 177.54 2kum h GLN 63 N 0.03 0.00 -0.23 3.45 4.20 -0.68 -1.16 115.11 120.71 2kum h GLN 63 Ca 0.04 0.00 -0.09 0.00 0.06 0.00 0.00 58.65 58.66 2kum h GLN 63 Cb 0.17 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.93 2kum h GLN 63 CO -0.00 0.02 -0.22 2.35 -0.67 0.00 0.00 178.83 180.30 2kum h TRP 64 N 0.00 0.47 -1.00 2.96 -0.00 -0.80 0.46 115.95 118.03 2kum h TRP 64 Ca -0.00 -0.09 0.01 0.00 -0.00 0.00 0.00 58.89 58.82 2kum h TRP 64 Cb 0.03 -0.12 -0.05 0.00 -0.00 0.00 0.00 29.16 29.02 2kum h TRP 64 CO 0.00 0.62 0.66 0.74 -0.00 0.00 0.00 178.44 180.46 2kum h PHE 65 N 0.38 1.25 -0.04 2.65 0.04 -0.83 0.67 116.94 121.06 2kum h PHE 65 Ca 0.06 0.03 -0.16 0.00 2.80 0.00 0.00 57.97 60.70 2kum h PHE 65 Cb 0.61 -0.42 0.01 0.00 2.20 0.00 0.00 35.95 38.35 2kum h PHE 65 CO 0.02 0.78 -0.62 0.93 -0.60 0.00 0.00 178.31 178.82 2kum h GLU 66 N 1.34 0.49 -0.55 1.51 5.08 -1.36 -2.99 114.58 118.11 2kum h GLU 66 Ca 0.37 -0.47 -0.07 0.00 -1.00 0.00 0.00 59.36 58.19 2kum h GLU 66 Cb -0.13 0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.22 2kum h GLU 66 CO -0.09 1.11 0.07 0.45 -1.00 0.00 0.00 179.01 179.56 2kum h HIS 67 N 0.05 0.99 -0.32 4.33 3.86 0.23 -2.68 115.15 121.62 2kum h HIS 67 Ca -0.07 -0.15 -0.07 0.00 -1.16 0.00 0.00 60.37 58.93 2kum h HIS 67 Cb 1.30 -0.27 -0.02 0.00 1.06 0.00 0.00 27.41 29.48 2kum h HIS 67 CO 0.13 0.88 -0.09 -0.56 0.86 0.00 0.00 177.93 179.15 2kum h GLN 68 N 0.81 0.53 -0.45 2.45 3.07 0.26 -1.83 115.11 119.95 2kum h GLN 68 Ca 0.16 -0.14 0.10 0.00 0.09 0.00 0.00 58.65 58.86 2kum h GLN 68 Cb 0.44 -0.06 -0.02 0.00 0.08 0.00 0.00 27.48 27.92 2kum h GLN 68 CO 0.01 0.63 0.32 1.49 0.09 0.00 0.00 178.83 181.37 2kum h GLU 69 N 0.50 0.14 -0.59 0.06 4.57 -1.32 0.34 114.58 118.29 2kum h GLU 69 Ca 0.10 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.27 2kum h GLU 69 Cb 0.46 -0.03 0.00 0.00 -0.16 0.00 0.00 28.75 29.02 2kum h GLU 69 CO 0.02 0.09 0.00 2.89 -1.18 0.00 0.00 179.01 180.84 2kum n ARG 70 N -4.44 3.06 0.00 1.92 1.85 -0.73 -4.97 116.66 113.36 2kum n ARG 70 Ca 0.07 -2.59 0.00 0.00 -1.00 0.00 0.00 57.85 54.34 2kum n ARG 70 Cb 0.42 -1.60 0.00 0.00 -1.05 0.00 0.00 32.46 30.23 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 1.09 0.38 -1.76 2.89 5.02 0.11 -4.96 118.16 120.94 2kum n LYS 71 Ca 0.21 0.00 -0.18 0.00 -2.02 0.00 0.00 58.31 56.32 2kum n LYS 71 Cb 0.66 0.00 -0.06 0.00 -0.02 0.00 0.00 35.03 35.62 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 -1.47 -0.20 -0.35 4.77 -1.26 -2.29 117.00 116.21 2kum n LEU 72 Ca 0.00 0.32 -0.03 0.00 -0.03 0.00 0.00 56.01 56.27 2kum n LEU 72 Cb 0.00 -2.59 -0.01 0.00 -2.33 0.00 0.00 43.42 38.49 2kum n LEU 72 CO 0.00 -0.74 -0.02 1.57 -1.33 0.00 0.00 177.39 176.87 2kum n HIS 73 N -2.91 0.00 -0.12 -1.77 -0.00 -1.26 -0.62 115.22 108.54 2kum n HIS 73 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.53 2kum n HIS 73 Cb 0.62 -1.65 0.00 0.00 -0.00 0.00 0.00 29.99 28.95 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 -0.28 1.11 3.31 1.57 0.00 -0.97 -5.02 105.19 104.91 2kum n GLY 74 Ca -0.03 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.55 4.51 0.21 2.61 -4.23 0.21 -5.07 115.64 111.33 2kum s THR 75 Ca 0.00 -1.27 0.02 0.00 -1.18 0.00 0.00 61.69 59.27 2kum s THR 75 Cb 0.00 -3.72 -0.03 0.00 1.34 0.00 0.00 72.50 70.08 2kum s THR 75 CO 0.00 -0.50 0.36 -0.76 -0.54 0.00 0.00 174.62 173.18 2kum s LEU 76 N 1.49 4.27 0.84 4.79 2.01 -1.26 -4.78 118.68 126.04 2kum s LEU 76 Ca 0.03 0.22 -0.16 0.00 0.01 0.00 0.00 54.13 54.23 2kum s LEU 76 Cb -0.23 -3.00 -0.11 0.00 0.01 0.00 0.00 46.19 42.87 2kum s LEU 76 CO 0.04 -0.05 -0.27 -2.65 1.01 0.00 0.00 176.35 174.43 2kum n PRO 77 N -1.00 0.01 -3.63 1.29 -0.02 -1.26 -5.01 135.00 125.38 2kum n PRO 77 Ca -0.07 0.02 -0.29 0.00 -2.02 0.00 0.00 63.50 61.14 2kum n PRO 77 Cb 0.55 -1.26 -0.12 0.00 -0.02 0.00 0.00 33.50 32.65 2kum n PRO 77 CO 0.00 0.00 0.00 0.21 1.98 0.00 0.00 175.50 177.69 2kum s LYS 78 N -2.14 1.11 -0.02 -0.52 2.47 -1.26 -4.89 119.74 114.48 2kum s LYS 78 Ca 0.50 -1.89 0.07 0.00 -1.56 0.00 0.00 55.97 53.09 2kum s LYS 78 Cb -0.28 -2.04 0.12 0.00 -1.46 0.00 0.00 37.83 34.17 2kum s LYS 78 CO 0.73 -1.20 1.05 1.47 0.16 0.00 0.00 175.35 177.57 2kum n LEU 79 N 3.56 0.52 -3.21 5.43 -0.00 -1.26 -5.01 117.00 117.02 2kum n LEU 79 Ca 0.12 -1.49 -0.18 0.00 -0.00 0.00 0.00 56.01 54.45 2kum n LEU 79 Cb 0.36 -0.06 0.08 0.00 -0.00 0.00 0.00 43.42 43.80 2kum n LEU 79 CO 0.20 0.38 0.16 0.59 -0.00 0.00 0.00 177.39 178.72 2kum n ASN 80 N -0.10 -3.84 -0.42 1.45 3.02 -1.26 -4.87 115.26 109.24 2kum n ASN 80 Ca 0.03 -0.52 0.00 0.00 -0.03 0.00 0.00 54.58 54.06 2kum n ASN 80 Cb 0.77 -4.59 0.00 0.00 -0.61 0.00 0.00 39.78 35.35 2kum n ASN 80 CO 0.00 0.00 0.00 2.22 -2.62 0.00 0.00 177.26 176.86 2kum n PHE 81 N -4.24 0.00 0.46 3.10 1.16 -1.26 -3.76 117.46 112.92 2kum n PHE 81 Ca -0.13 0.00 0.12 0.00 -1.87 0.00 0.00 57.45 55.56 2kum n PHE 81 Cb 0.61 -0.07 0.47 0.00 -1.61 0.00 0.00 39.48 38.88 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 -1.87 0.00 0.00 176.76 175.30 2kum n GLY 82 N 0.14 -1.35 0.11 4.97 0.00 -1.26 -2.58 105.19 105.21 2kum n GLY 82 Ca 0.00 0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.20 2kum n GLY 82 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2kum h MET 83 N 0.00 0.00 0.00 1.61 -0.00 -1.98 -3.32 114.93 111.24 2kum h MET 83 Ca 0.00 0.00 -0.31 0.00 -0.00 0.00 0.00 59.70 59.39 2kum h MET 83 Cb 0.43 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.97 2kum h MET 83 CO 0.00 0.00 -2.23 -0.11 -0.00 0.00 0.00 176.91 174.57 2kum n LEU 84 N -2.41 0.00 -4.72 -0.10 0.00 -1.07 -4.81 117.00 103.90 2kum n LEU 84 Ca 0.04 0.00 -0.36 0.00 0.00 0.00 0.00 56.01 55.69 2kum n LEU 84 Cb 0.47 0.42 0.09 0.00 0.00 0.00 0.00 43.42 44.40 2kum n LEU 84 CO 0.35 0.42 0.86 0.54 0.00 0.00 0.00 177.39 179.56 2kum n ARG 85 N -2.64 0.85 0.00 1.96 1.74 -1.11 -0.38 116.66 117.08 2kum n ARG 85 Ca -0.28 0.35 0.00 0.00 -0.77 0.00 0.00 57.85 57.15 2kum n ARG 85 Cb 1.06 -2.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.99 2kum n ARG 85 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 2kum n LYS 86 N -2.30 0.00 -1.12 5.56 4.81 -1.26 -4.31 118.16 119.55 2kum n LYS 86 Ca 0.15 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.55 2kum n LYS 86 Cb 0.49 -0.31 -0.02 0.00 0.02 0.00 0.00 35.03 35.21 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 1.17 0.00 0.00 177.40 177.24 2kum n MET 87 N -0.72 -0.47 0.00 1.64 2.81 0.49 -5.26 117.12 115.61 2kum n MET 87 Ca 0.00 0.52 0.00 0.00 -1.81 0.00 0.00 57.70 56.41 2kum n MET 87 Cb 0.00 -4.16 0.00 0.00 -0.71 0.00 0.00 33.22 28.35 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89