#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 -0.01 -0.56 -2.13 2.96 -1.26 -5.11 118.68 112.56 2kum s LEU 2 Ca 0.00 0.97 -0.27 0.00 -0.22 0.00 0.00 54.13 54.61 2kum s LEU 2 Cb 0.00 1.56 0.03 0.00 0.50 0.00 0.00 46.19 48.28 2kum s LEU 2 CO 0.00 -0.18 1.13 -0.76 -1.32 0.00 0.00 176.35 175.22 2kum s LEU 3 N 0.84 3.61 0.58 -0.68 2.01 -1.26 -5.02 118.68 118.76 2kum s LEU 3 Ca -0.05 0.04 -0.20 0.00 0.01 0.00 0.00 54.13 53.93 2kum s LEU 3 Cb -0.06 -3.12 -0.04 0.00 0.01 0.00 0.00 46.19 42.98 2kum s LEU 3 CO -0.07 -1.40 1.25 -2.84 1.01 0.00 0.00 176.35 174.30 2kum s PRO 4 N 4.69 3.04 0.02 1.29 0.02 -1.26 -4.57 135.00 138.22 2kum s PRO 4 Ca 0.41 1.95 -0.33 0.00 0.02 0.00 0.00 61.00 63.04 2kum s PRO 4 Cb -0.08 -2.04 -0.12 0.00 0.02 0.00 0.00 34.50 32.27 2kum s PRO 4 CO 0.25 -1.18 1.80 -2.30 -0.33 0.00 0.00 177.00 175.23 2kum n PRO 5 N -1.38 2.30 -1.24 5.54 -0.02 -1.26 -0.96 135.00 137.97 2kum n PRO 5 Ca 0.13 0.84 -0.08 0.00 -2.02 0.00 0.00 63.50 62.36 2kum n PRO 5 Cb 0.48 -2.68 -0.04 0.00 -0.02 0.00 0.00 33.50 31.25 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 5.69 -4.63 -3.02 2.55 7.64 -1.26 -4.89 113.62 115.69 2kum n SER 6 Ca 0.20 0.21 -0.30 0.00 1.01 0.00 0.00 58.87 59.98 2kum n SER 6 Cb 0.31 -2.86 -0.02 0.00 -1.01 0.00 0.00 64.21 60.63 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 -2.55 3.64 -3.20 0.44 -1.04 -0.14 -4.99 114.28 106.44 2kum n THR 7 Ca -0.08 -5.53 -0.46 0.00 -2.04 0.00 0.00 64.05 55.94 2kum n THR 7 Cb 0.38 -1.41 -0.02 0.00 -1.82 0.00 0.00 70.33 67.46 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 -3.69 4.02 -0.68 2.41 0.00 -1.26 -4.41 121.76 118.15 2kum s ALA 8 Ca 0.47 -3.28 0.05 0.00 0.00 0.00 0.00 51.96 49.20 2kum s ALA 8 Cb 0.28 -3.70 0.19 0.00 0.00 0.00 0.00 23.12 19.89 2kum s ALA 8 CO -0.16 -2.48 0.54 0.00 0.00 0.00 0.00 175.76 173.67 2kum n THR 11 N 5.75 0.02 -4.25 0.00 -2.24 -1.26 -4.88 114.28 107.43 2kum n THR 11 Ca 0.14 -0.02 -0.30 0.00 -2.27 0.00 0.00 64.05 61.60 2kum n THR 11 Cb 0.46 0.43 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 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 -3.01 2.19 -0.02 -0.78 1.03 -1.26 -5.13 119.66 112.68 2kum s GLN 12 Ca 0.10 -0.98 0.01 0.00 0.04 0.00 0.00 55.36 54.52 2kum s GLN 12 Cb 0.17 -2.34 0.01 0.00 0.03 0.00 0.00 33.01 30.88 2kum s GLN 12 CO 0.75 0.52 -0.04 -0.51 -2.54 0.00 0.00 175.29 173.47 2kum s LEU 13 N -2.14 1.67 0.01 2.60 1.43 -1.26 -4.75 118.68 116.24 2kum s LEU 13 Ca 0.21 -0.08 -0.21 0.00 -1.03 0.00 0.00 54.13 53.02 2kum s LEU 13 Cb -0.11 -0.28 -0.18 0.00 0.03 0.00 0.00 46.19 45.64 2kum s LEU 13 CO 0.13 -0.00 1.22 0.22 0.23 0.00 0.00 176.35 178.15 2kum h TYR 14 N 6.55 0.41 0.00 0.29 3.20 -0.62 -3.47 116.97 123.34 2kum h TYR 14 Ca -0.34 -0.17 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2kum h TYR 14 Cb 1.17 -0.07 0.00 0.00 1.54 0.00 0.00 36.73 39.37 2kum h TYR 14 CO 0.45 0.87 0.00 0.54 -1.64 0.00 0.00 178.16 178.38 2kum n ARG 15 N -4.48 0.00 -2.77 1.82 1.74 -1.26 -4.93 116.66 106.78 2kum n ARG 15 Ca -0.08 0.00 -0.30 0.00 -0.77 0.00 0.00 57.85 56.70 2kum n ARG 15 Cb 0.45 -1.44 -0.03 0.00 -1.02 0.00 0.00 32.46 30.42 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 3.78 0.45 5.56 1.02 -1.26 -4.97 119.74 124.32 2kum s LYS 16 Ca 0.00 0.51 -0.25 0.00 0.02 0.00 0.00 55.97 56.25 2kum s LYS 16 Cb 0.00 -2.36 -0.08 0.00 -0.52 0.00 0.00 37.83 34.87 2kum s LYS 16 CO 0.00 -0.09 1.38 -2.14 -0.92 0.00 0.00 175.35 173.59 2kum s PRO 17 N -3.97 3.70 0.02 -1.68 0.02 -1.26 -4.97 135.00 126.87 2kum s PRO 17 Ca 0.52 2.32 -0.17 0.00 0.02 0.00 0.00 61.00 63.69 2kum s PRO 17 Cb -0.10 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.72 2kum s PRO 17 CO 0.33 -0.77 0.50 -0.51 -0.33 0.00 0.00 177.00 176.22 2kum s LEU 18 N -2.74 4.47 0.13 -5.54 1.43 -1.26 -5.02 118.68 110.16 2kum s LEU 18 Ca 0.61 1.09 -0.33 0.00 -1.03 0.00 0.00 54.13 54.46 2kum s LEU 18 Cb -0.42 -2.75 -0.13 0.00 0.03 0.00 0.00 46.19 42.92 2kum s LEU 18 CO 0.53 0.25 1.66 -1.20 0.23 0.00 0.00 176.35 177.82 2kum n SER 19 N 2.06 3.33 0.26 2.29 7.64 -1.26 -4.80 113.62 123.14 2kum n SER 19 Ca -0.11 1.06 0.09 0.00 1.01 0.00 0.00 58.87 60.92 2kum n SER 19 Cb 0.51 -1.45 0.67 0.00 -1.01 0.00 0.00 64.21 62.93 2kum n SER 19 CO 0.00 0.00 0.00 -2.24 -3.01 0.00 0.00 175.04 169.79 2kum h ASP 20 N 6.67 0.00 -0.29 6.43 2.03 -1.96 0.31 116.42 129.60 2kum h ASP 20 Ca -0.45 0.00 -0.08 0.00 -0.73 0.00 0.00 57.03 55.77 2kum h ASP 20 Cb 1.25 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 39.74 2kum h ASP 20 CO 0.91 0.05 -0.12 0.11 -1.03 0.00 0.00 179.24 179.16 2kum h LYS 21 N 0.00 0.59 0.00 4.15 1.79 -2.01 -1.94 116.57 119.15 2kum h LYS 21 Ca -0.00 -0.25 -0.14 0.00 -2.18 0.00 0.00 60.65 58.08 2kum h LYS 21 Cb 0.10 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 30.70 2kum h LYS 21 CO 0.01 0.82 -0.68 1.37 -1.08 0.00 0.00 179.45 179.89 2kum h LEU 22 N 0.34 0.00 -1.25 2.94 8.10 -1.76 -3.31 115.31 120.39 2kum h LEU 22 Ca 0.07 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 57.98 2kum h LEU 22 Cb 0.63 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.84 2kum h LEU 22 CO 0.04 0.68 -0.28 0.25 -4.11 0.00 0.00 178.44 175.02 2kum h LEU 23 N 0.00 0.16 0.00 0.17 5.85 -0.14 -1.86 115.31 119.49 2kum h LEU 23 Ca -0.01 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.67 2kum h LEU 23 Cb 1.31 -0.04 0.00 0.00 0.37 0.00 0.00 40.66 42.30 2kum h LEU 23 CO 0.09 0.44 0.00 -2.11 -0.34 0.00 0.00 178.44 176.52 2kum n ARG 24 N -4.16 0.04 -0.27 1.25 1.85 -0.75 -1.39 116.66 113.23 2kum n ARG 24 Ca -0.01 0.27 0.09 0.00 -1.00 0.00 0.00 57.85 57.20 2kum n ARG 24 Cb 0.36 -1.50 0.24 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 -1.45 2.69 -2.53 2.89 5.02 -0.70 -3.90 118.16 120.18 2kum n LYS 25 Ca 0.03 -2.34 -0.41 0.00 -2.02 0.00 0.00 58.31 53.58 2kum n LYS 25 Cb 0.13 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.67 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 -1.04 3.74 -0.45 -0.18 1.01 -0.49 -2.78 120.40 120.21 2kum s VAL 26 Ca 0.37 0.19 0.23 0.00 0.00 0.00 0.00 61.98 62.77 2kum s VAL 26 Cb 0.19 -4.90 0.21 0.00 0.00 0.00 0.00 36.38 31.89 2kum s VAL 26 CO 0.26 -1.83 1.46 0.16 0.00 0.00 0.00 175.10 175.15 2kum h ILE 27 N 6.21 0.00 -3.18 2.22 3.07 -1.70 -3.47 117.51 120.67 2kum h ILE 27 Ca -0.19 -0.87 -0.06 0.00 1.55 0.00 0.00 64.86 65.29 2kum h ILE 27 Cb 1.05 1.69 -0.14 0.00 -0.27 0.00 0.00 36.82 39.15 2kum h ILE 27 CO 1.30 0.00 -0.05 -1.10 -1.05 0.00 0.00 178.15 177.25 2kum s GLN 28 N -3.23 1.03 -0.13 0.16 -1.52 -0.91 -4.84 119.66 110.21 2kum s GLN 28 Ca 0.05 -0.52 0.02 0.00 -1.95 0.00 0.00 55.36 52.96 2kum s GLN 28 Cb 0.08 0.46 0.01 0.00 -0.22 0.00 0.00 33.01 33.33 2kum s GLN 28 CO 0.70 -0.39 -0.21 0.54 -0.25 0.00 0.00 175.29 175.68 2kum s VAL 29 N -3.20 2.19 -0.15 1.09 0.11 -1.26 0.01 120.40 119.18 2kum s VAL 29 Ca -0.01 -0.94 -0.02 0.00 -2.93 0.00 0.00 61.98 58.08 2kum s VAL 29 Cb 0.01 -1.88 -0.02 0.00 -1.53 0.00 0.00 36.38 32.96 2kum s VAL 29 CO -0.08 0.54 -0.09 -1.83 -3.33 0.00 0.00 175.10 170.31 2kum s GLU 30 N 0.71 3.44 -0.50 1.54 -1.05 0.58 -4.88 118.70 118.53 2kum s GLU 30 Ca -0.09 -0.64 -0.21 0.00 -0.15 0.00 0.00 54.97 53.88 2kum s GLU 30 Cb -0.16 -2.77 0.05 0.00 -0.44 0.00 0.00 34.13 30.81 2kum s GLU 30 CO 0.01 0.13 0.72 -1.17 0.95 0.00 0.00 175.26 175.89 2kum s LEU 31 N 0.60 4.61 -0.53 1.83 2.96 -1.26 -1.37 118.68 125.52 2kum s LEU 31 Ca -0.06 -0.62 -0.29 0.00 -0.22 0.00 0.00 54.13 52.95 2kum s LEU 31 Cb -0.15 -2.62 0.03 0.00 0.50 0.00 0.00 46.19 43.94 2kum s LEU 31 CO 0.03 -0.96 1.18 -1.58 -1.32 0.00 0.00 176.35 173.70 2kum s GLN 32 N 3.04 3.60 0.64 1.98 0.74 0.23 -4.98 119.66 124.92 2kum s GLN 32 Ca 0.21 0.40 -0.12 0.00 0.05 0.00 0.00 55.36 55.90 2kum s GLN 32 Cb -0.16 -3.97 -0.02 0.00 1.10 0.00 0.00 33.01 29.96 2kum s GLN 32 CO 0.16 -1.56 1.04 -1.21 -0.55 0.00 0.00 175.29 173.17 2kum s GLU 33 N 4.76 3.26 0.00 1.67 2.02 -1.26 -0.29 118.70 128.86 2kum s GLU 33 Ca 0.46 0.94 0.24 0.00 0.02 0.00 0.00 54.97 56.62 2kum s GLU 33 Cb -0.07 -2.03 1.16 0.00 0.10 0.00 0.00 34.13 33.28 2kum s GLU 33 CO 0.28 -0.84 1.78 0.00 0.02 0.00 0.00 175.26 176.49 2kum n ALA 34 N -2.74 2.18 -1.71 5.21 0.00 -1.26 -2.86 120.51 119.33 2kum n ALA 34 Ca 0.07 -0.11 -0.03 0.00 0.00 0.00 0.00 53.44 53.38 2kum n ALA 34 Cb 0.54 -1.38 -0.03 0.00 0.00 0.00 0.00 19.45 18.58 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 -1.33 -0.38 0.00 0.00 2.03 -0.75 -2.33 116.55 113.80 2kum n ASP 35 Ca 0.10 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.46 2kum n ASP 35 Cb 0.20 0.11 0.00 0.00 -0.72 0.00 0.00 41.12 40.72 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 0.55 0.12 0.27 0.00 -1.25 -4.74 105.19 100.14 2kum n GLY 36 Ca -0.11 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.04 2kum n GLY 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kum h ASP 37 N 0.00 0.00 -5.09 1.61 3.32 -1.94 -3.46 116.42 110.86 2kum h ASP 37 Ca 0.00 0.00 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2kum h ASP 37 Cb 0.00 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 39.49 2kum h ASP 37 CO 0.00 0.00 0.10 0.00 -1.72 0.00 0.00 179.24 177.62 2kum n HIS 39 N -0.44 4.09 0.00 0.00 -0.00 -1.26 -1.81 115.22 115.81 2kum n HIS 39 Ca -0.03 -3.69 0.00 0.00 0.46 0.00 0.00 57.72 54.46 2kum n HIS 39 Cb 0.60 -1.32 0.00 0.00 -0.12 0.00 0.00 29.99 29.15 2kum n HIS 39 CO 0.00 0.00 0.00 -0.11 0.46 0.00 0.00 176.34 176.69 2kum n LEU 40 N 2.08 0.00 -4.67 0.27 0.00 -0.99 -4.85 117.00 108.84 2kum n LEU 40 Ca 0.24 0.00 -0.41 0.00 0.00 0.00 0.00 56.01 55.84 2kum n LEU 40 Cb 0.37 0.00 -0.05 0.00 0.00 0.00 0.00 43.42 43.74 2kum n LEU 40 CO 0.49 0.00 0.52 -1.58 0.00 0.00 0.00 177.39 176.82 2kum s GLN 41 N 0.00 4.28 -0.12 1.96 0.74 -1.25 -4.02 119.66 121.24 2kum s GLN 41 Ca 0.00 0.87 -0.09 0.00 0.05 0.00 0.00 55.36 56.20 2kum s GLN 41 Cb 0.00 -3.57 0.04 0.00 1.10 0.00 0.00 33.01 30.58 2kum s GLN 41 CO 0.00 -0.27 0.31 0.00 -0.55 0.00 0.00 175.29 174.77 2kum s ALA 42 N 1.99 -0.75 -0.64 1.58 0.00 0.60 -4.53 121.76 120.01 2kum s ALA 42 Ca 0.35 1.04 -0.22 0.00 0.00 0.00 0.00 51.96 53.14 2kum s ALA 42 Cb -0.16 -0.63 0.08 0.00 0.00 0.00 0.00 23.12 22.40 2kum s ALA 42 CO 0.12 -0.19 0.90 -0.06 0.00 0.00 0.00 175.76 176.53 2kum s PHE 43 N 0.77 2.76 -0.14 0.00 0.40 0.29 -0.60 117.98 121.46 2kum s PHE 43 Ca -0.05 -0.66 -0.07 0.00 -0.60 0.00 0.00 56.93 55.55 2kum s PHE 43 Cb -0.06 -4.22 -0.04 0.00 0.51 0.00 0.00 43.02 39.21 2kum s PHE 43 CO -0.05 -1.56 0.10 0.08 0.70 0.00 0.00 175.22 174.49 2kum s VAL 44 N 3.70 5.12 -0.23 -0.44 1.01 -0.47 -2.17 120.40 126.92 2kum s VAL 44 Ca 0.19 0.07 -0.11 0.00 0.00 0.00 0.00 61.98 62.13 2kum s VAL 44 Cb -0.19 -3.25 -0.05 0.00 0.00 0.00 0.00 36.38 32.89 2kum s VAL 44 CO 0.09 0.56 0.20 -0.76 0.00 0.00 0.00 175.10 175.18 2kum s LEU 45 N -0.49 4.13 -0.56 3.92 1.43 0.90 -0.31 118.68 127.70 2kum s LEU 45 Ca 0.11 0.19 -0.17 0.00 -1.03 0.00 0.00 54.13 53.23 2kum s LEU 45 Cb -0.12 -2.17 0.12 0.00 0.03 0.00 0.00 46.19 44.05 2kum s LEU 45 CO 0.02 0.05 0.58 -2.28 0.23 0.00 0.00 176.35 174.95 2kum s HIS 46 N 1.04 3.16 0.49 0.29 2.46 0.10 -0.52 115.29 122.32 2kum s HIS 46 Ca 0.09 -1.18 -0.04 0.00 0.47 0.00 0.00 55.06 54.41 2kum s HIS 46 Cb -0.13 -3.88 -0.01 0.00 -0.13 0.00 0.00 32.58 28.42 2kum s HIS 46 CO 0.05 -1.12 0.77 -0.51 -2.47 0.00 0.00 174.74 171.45 2kum s LEU 47 N 1.98 3.55 0.00 8.88 1.02 -0.84 -1.93 118.68 131.34 2kum s LEU 47 Ca 0.06 0.66 0.00 0.00 0.02 0.00 0.00 54.13 54.88 2kum s LEU 47 Cb -0.28 -3.55 0.00 0.00 0.02 0.00 0.00 46.19 42.38 2kum s LEU 47 CO 0.04 -0.72 0.38 0.00 0.02 0.00 0.00 176.35 176.07 2kum n ALA 48 N -2.27 1.90 0.01 4.21 0.00 -1.12 -2.92 120.51 120.33 2kum n ALA 48 Ca 0.01 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.45 2kum n ALA 48 Cb 0.57 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 19.02 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 -0.09 0.00 -3.71 0.00 3.00 -1.26 -5.15 117.38 110.18 2kum n GLN 49 Ca 0.00 0.00 -0.06 0.00 -0.01 0.00 0.00 57.00 56.93 2kum n GLN 49 Cb 0.07 -0.17 -0.02 0.00 0.00 0.00 0.00 30.24 30.13 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 1.35 -0.01 -1.09 1.04 -1.15 -4.95 118.95 112.14 2kum s ARG 50 Ca 0.00 -0.69 -0.06 0.00 -1.04 0.00 0.00 55.73 53.94 2kum s ARG 50 Cb 0.00 0.50 -0.04 0.00 -2.04 0.00 0.00 34.95 33.36 2kum s ARG 50 CO 0.00 -0.61 0.24 -1.12 -0.04 0.00 0.00 175.30 173.76 2kum s SER 51 N -2.84 6.46 -0.10 -2.89 0.01 -1.26 -1.99 113.70 111.08 2kum s SER 51 Ca 0.09 0.50 -0.00 0.00 1.31 0.00 0.00 55.95 57.85 2kum s SER 51 Cb -0.03 -2.07 -0.03 0.00 0.21 0.00 0.00 66.02 64.11 2kum s SER 51 CO 0.00 0.27 -0.09 -0.63 0.41 0.00 0.00 173.24 173.21 2kum s ILE 52 N -1.28 3.51 -0.26 1.44 1.01 0.32 -4.93 121.20 121.01 2kum s ILE 52 Ca 0.26 -0.53 -0.11 0.00 0.00 0.00 0.00 60.65 60.28 2kum s ILE 52 Cb -0.13 -2.46 -0.05 0.00 0.01 0.00 0.00 42.46 39.83 2kum s ILE 52 CO 0.15 0.56 0.17 0.00 0.00 0.00 0.00 174.94 175.82 2kum s ILE 54 N 1.50 1.66 0.19 0.00 1.01 -0.92 0.22 121.20 124.86 2kum s ILE 54 Ca 0.07 -1.06 -0.30 0.00 0.00 0.00 0.00 60.65 59.36 2kum s ILE 54 Cb -0.15 -1.41 -0.08 0.00 0.01 0.00 0.00 42.46 40.82 2kum s ILE 54 CO 0.08 0.32 1.27 -2.28 0.00 0.00 0.00 174.94 174.33 2kum s HIS 55 N -0.66 3.31 0.24 3.97 5.65 -1.26 -0.55 115.29 125.98 2kum s HIS 55 Ca 0.08 1.29 -0.09 0.00 0.25 0.00 0.00 55.06 56.59 2kum s HIS 55 Cb -0.08 -3.55 0.38 0.00 -1.18 0.00 0.00 32.58 28.15 2kum s HIS 55 CO 0.01 -1.65 1.63 -1.00 -0.65 0.00 0.00 174.74 173.07 2kum h PRO 56 N 5.32 0.06 -5.44 2.88 0.13 -1.89 -2.74 132.00 130.33 2kum h PRO 56 Ca -0.45 -0.00 -0.69 0.00 -0.87 0.00 0.00 66.00 63.99 2kum h PRO 56 Cb 1.21 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.21 2kum h PRO 56 CO 0.76 0.04 1.72 -0.65 -0.23 0.00 0.00 178.00 179.64 2kum s GLN 57 N -6.16 3.95 -0.14 0.86 1.11 -1.26 -4.87 119.66 113.14 2kum s GLN 57 Ca -0.14 -2.08 -0.06 0.00 0.01 0.00 0.00 55.36 53.09 2kum s GLN 57 Cb 0.22 -5.30 0.07 0.00 -1.01 0.00 0.00 33.01 26.98 2kum s GLN 57 CO 0.75 -2.04 0.31 1.21 0.01 0.00 0.00 175.29 175.53 2kum s ASN 58 N 3.78 0.01 0.54 5.90 2.47 -1.03 -5.04 114.94 121.57 2kum s ASN 58 Ca 0.47 0.70 0.26 0.00 0.42 0.00 0.00 52.86 54.72 2kum s ASN 58 Cb 0.00 0.80 1.43 0.00 -1.45 0.00 0.00 41.25 42.03 2kum s ASN 58 CO 0.02 -0.22 1.99 -0.65 -3.72 0.00 0.00 177.10 174.52 2kum h PRO 59 N 7.93 0.00 -0.36 0.43 0.11 -1.90 -0.56 132.00 137.66 2kum h PRO 59 Ca -0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.89 2kum h PRO 59 Cb 1.13 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2kum h PRO 59 CO 0.19 0.00 0.24 0.66 -0.21 0.00 0.00 178.00 178.88 2kum h SER 60 N 0.00 0.42 0.07 -2.05 4.64 -1.93 0.29 113.55 114.99 2kum h SER 60 Ca 0.25 -0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.46 2kum h SER 60 Cb 1.04 -0.10 0.01 0.00 -0.31 0.00 0.00 62.40 63.04 2kum h SER 60 CO -0.00 0.31 -0.41 0.25 -0.87 0.00 0.00 176.83 176.10 2kum h LEU 61 N 0.50 0.24 -0.35 5.97 7.12 -1.45 -0.94 115.31 126.41 2kum h LEU 61 Ca 0.13 -0.97 0.00 0.00 0.13 0.00 0.00 57.88 57.18 2kum h LEU 61 Cb -0.05 -0.08 -0.02 0.00 -0.53 0.00 0.00 40.66 39.98 2kum h LEU 61 CO -0.03 1.19 0.23 -1.28 -0.13 0.00 0.00 178.44 178.42 2kum h SER 62 N -0.66 0.40 0.20 1.25 0.87 -1.55 -0.81 113.55 113.25 2kum h SER 62 Ca -0.07 -0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.44 2kum h SER 62 Cb 1.32 -0.10 -0.00 0.00 -0.44 0.00 0.00 62.40 63.17 2kum h SER 62 CO 0.08 0.29 -0.16 1.56 -0.53 0.00 0.00 176.83 178.08 2kum h GLN 63 N 0.47 0.00 -0.17 2.24 4.20 -1.02 -1.69 115.11 119.14 2kum h GLN 63 Ca 0.13 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.72 2kum h GLN 63 Cb -0.05 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.72 2kum h GLN 63 CO -0.03 0.16 -0.41 2.35 -0.67 0.00 0.00 178.83 180.22 2kum h TRP 64 N 0.00 0.46 -0.24 2.96 -0.00 0.13 0.42 115.95 119.67 2kum h TRP 64 Ca -0.00 -0.13 0.06 0.00 -0.00 0.00 0.00 58.89 58.82 2kum h TRP 64 Cb 0.30 -0.10 -0.06 0.00 -0.00 0.00 0.00 29.16 29.30 2kum h TRP 64 CO 0.00 0.74 -0.14 0.74 -0.00 0.00 0.00 178.44 179.78 2kum h PHE 65 N 0.32 -0.35 -0.22 2.65 0.04 -0.22 0.83 116.94 119.99 2kum h PHE 65 Ca 0.03 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.81 2kum h PHE 65 Cb 0.87 0.19 -0.01 0.00 2.20 0.00 0.00 35.95 39.20 2kum h PHE 65 CO 0.02 -0.21 0.07 0.93 -0.60 0.00 0.00 178.31 178.52 2kum h GLU 66 N -0.12 0.34 -0.31 1.51 4.39 -1.45 -3.09 114.58 115.84 2kum h GLU 66 Ca 0.13 -0.07 -0.09 0.00 0.34 0.00 0.00 59.36 59.67 2kum h GLU 66 Cb 0.32 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 28.91 2kum h GLU 66 CO -0.32 0.43 -0.17 0.45 -1.16 0.00 0.00 179.01 178.23 2kum h HIS 67 N 0.18 0.77 0.00 4.33 3.86 -0.32 -2.93 115.15 121.05 2kum h HIS 67 Ca 0.07 -0.20 -0.04 0.00 -1.16 0.00 0.00 60.37 59.04 2kum h HIS 67 Cb 0.23 -0.18 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2kum h HIS 67 CO 0.00 0.90 -0.19 -0.56 0.86 0.00 0.00 177.93 178.95 2kum h GLN 68 N 0.43 0.00 -0.73 2.45 3.07 0.60 0.18 115.11 121.12 2kum h GLN 68 Ca 0.07 0.00 -0.05 0.00 0.09 0.00 0.00 58.65 58.75 2kum h GLN 68 Cb 0.71 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 28.24 2kum h GLN 68 CO 0.05 0.19 0.25 1.49 0.09 0.00 0.00 178.83 180.90 2kum h GLU 69 N 0.00 1.12 -0.50 0.06 4.81 -1.43 -3.16 114.58 115.48 2kum h GLU 69 Ca -0.00 -0.23 -0.31 0.00 -0.13 0.00 0.00 59.36 58.69 2kum h GLU 69 Cb 0.39 -0.17 -0.20 0.00 0.63 0.00 0.00 28.75 29.41 2kum h GLU 69 CO 0.02 0.94 -0.17 2.89 -0.73 0.00 0.00 179.01 181.97 2kum n ARG 70 N -4.30 2.32 -1.53 1.92 1.85 -0.32 -4.11 116.66 112.49 2kum n ARG 70 Ca 0.06 -3.44 0.00 0.00 -1.00 0.00 0.00 57.85 53.47 2kum n ARG 70 Cb 0.21 -1.97 0.00 0.00 -1.05 0.00 0.00 32.46 29.65 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 -1.01 0.00 0.00 2.89 4.81 0.50 -4.99 118.16 120.36 2kum n LYS 71 Ca 0.38 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.82 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 1.47 1.17 0.00 0.00 177.40 180.04 2kum n LEU 72 N 0.00 0.00 -1.21 3.14 -0.00 -1.25 -0.62 117.00 117.05 2kum n LEU 72 Ca 0.00 0.00 -0.01 0.00 -0.00 0.00 0.00 56.01 56.00 2kum n LEU 72 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 43.42 43.40 2kum n LEU 72 CO 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 177.39 177.59 2kum n HIS 73 N 0.00 0.00 -3.09 1.47 1.44 -1.26 -5.03 115.22 108.74 2kum n HIS 73 Ca 0.00 -0.47 -0.14 0.00 -2.01 0.00 0.00 57.72 55.11 2kum n HIS 73 Cb 0.00 0.15 0.07 0.00 0.12 0.00 0.00 29.99 30.33 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 -2.81 0.00 0.00 176.34 173.94 2kum n GLY 74 N 0.25 -0.62 2.94 -1.39 0.00 0.21 -5.03 105.19 101.54 2kum n GLY 74 Ca -0.09 0.28 -0.22 0.00 0.00 0.00 0.00 46.02 45.99 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 -3.32 0.77 -0.10 2.61 -4.23 -1.24 -4.96 115.64 105.15 2kum s THR 75 Ca 0.23 -0.25 -0.23 0.00 -1.18 0.00 0.00 61.69 60.26 2kum s THR 75 Cb -0.03 -0.75 0.05 0.00 1.34 0.00 0.00 72.50 73.11 2kum s THR 75 CO 0.63 0.28 0.56 -1.48 -0.54 0.00 0.00 174.62 174.07 2kum s LEU 76 N 0.89 -0.16 -0.00 4.79 0.05 -1.26 -4.79 118.68 118.20 2kum s LEU 76 Ca -0.11 0.75 -0.28 0.00 0.05 0.00 0.00 54.13 54.53 2kum s LEU 76 Cb -0.15 2.05 -0.04 0.00 -2.05 0.00 0.00 46.19 46.01 2kum s LEU 76 CO 0.01 -0.42 0.90 -2.16 -0.55 0.00 0.00 176.35 174.13 2kum s PRO 77 N -0.67 4.54 -1.22 1.48 0.04 -1.26 -4.98 135.00 132.93 2kum s PRO 77 Ca -0.08 1.28 -0.18 0.00 0.04 0.00 0.00 61.00 62.06 2kum s PRO 77 Cb -0.03 -3.44 0.09 0.00 0.04 0.00 0.00 34.50 31.16 2kum s PRO 77 CO 0.05 0.02 1.60 0.21 0.04 0.00 0.00 177.00 178.93 2kum s LYS 78 N 0.81 3.93 -0.15 4.56 2.20 -1.26 -4.66 119.74 125.16 2kum s LYS 78 Ca 0.47 -1.96 0.16 0.00 -0.36 0.00 0.00 55.97 54.28 2kum s LYS 78 Cb -0.20 -5.39 0.74 0.00 -1.51 0.00 0.00 37.83 31.47 2kum s LYS 78 CO 0.26 -2.13 1.64 1.47 -0.36 0.00 0.00 175.35 176.23 2kum n LEU 79 N 7.84 4.98 -2.80 5.43 -0.00 -1.26 -4.99 117.00 126.20 2kum n LEU 79 Ca 0.43 -2.52 -0.01 0.00 -0.00 0.00 0.00 56.01 53.91 2kum n LEU 79 Cb 0.46 -0.61 -0.01 0.00 -0.00 0.00 0.00 43.42 43.26 2kum n LEU 79 CO 0.71 0.73 -0.51 0.59 -0.00 0.00 0.00 177.39 178.91 2kum n ASN 80 N 0.93 -6.60 -0.22 1.45 3.02 -1.26 -4.97 115.26 107.61 2kum n ASN 80 Ca 0.26 1.22 0.09 0.00 -0.03 0.00 0.00 54.58 56.12 2kum n ASN 80 Cb 0.98 -4.49 0.16 0.00 -0.61 0.00 0.00 39.78 35.81 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 1.05 0.03 0.30 3.10 1.16 -1.26 -4.68 117.46 117.15 2kum n PHE 81 Ca -0.07 -1.12 0.17 0.00 -1.87 0.00 0.00 57.45 54.57 2kum n PHE 81 Cb 0.19 -0.18 0.72 0.00 -1.61 0.00 0.00 39.48 38.60 2kum n PHE 81 CO 0.00 0.00 0.00 0.78 -1.87 0.00 0.00 176.76 175.67 2kum h GLY 82 N 0.28 0.00 1.21 4.97 0.00 -1.97 -1.95 103.07 105.61 2kum h GLY 82 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2kum h GLY 82 CO 0.01 0.00 -0.04 1.15 0.00 0.00 0.00 176.54 177.66 2kum n MET 83 N -2.98 0.64 -0.00 4.80 0.00 -1.26 -3.57 117.12 114.75 2kum n MET 83 Ca 0.00 -0.09 0.02 0.00 0.00 0.00 0.00 57.70 57.63 2kum n MET 83 Cb 0.27 -1.50 -0.03 0.00 0.00 0.00 0.00 33.22 31.96 2kum n MET 83 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 175.97 175.86 2kum n LEU 84 N -1.10 0.01 -4.58 3.17 7.94 -0.75 -4.61 117.00 117.08 2kum n LEU 84 Ca 0.16 -0.02 -0.41 0.00 -1.11 0.00 0.00 56.01 54.63 2kum n LEU 84 Cb 0.23 0.00 -0.03 0.00 0.53 0.00 0.00 43.42 44.15 2kum n LEU 84 CO 0.22 0.00 1.73 -0.13 -1.11 0.00 0.00 177.39 178.10 2kum s ARG 85 N -2.26 2.95 -1.34 1.96 0.52 -1.10 -0.87 118.95 118.80 2kum s ARG 85 Ca -0.01 1.50 0.00 0.00 -0.52 0.00 0.00 55.73 56.69 2kum s ARG 85 Cb 0.03 -4.35 0.00 0.00 0.52 0.00 0.00 34.95 31.15 2kum s ARG 85 CO 0.18 -2.32 0.00 1.63 0.02 0.00 0.00 175.30 174.81 2kum n LYS 86 N 8.74 -1.67 -0.02 3.54 5.02 -1.26 -4.77 118.16 127.75 2kum n LYS 86 Ca 0.27 0.94 0.02 0.00 -2.02 0.00 0.00 58.31 57.53 2kum n LYS 86 Cb 0.48 -5.36 -0.09 0.00 -0.02 0.00 0.00 35.03 30.04 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 -1.06 0.92 0.00 1.97 2.81 -0.05 -5.21 117.12 116.51 2kum n MET 87 Ca -0.13 -0.08 0.04 0.00 -1.81 0.00 0.00 57.70 55.72 2kum n MET 87 Cb 0.61 -1.28 0.03 0.00 -0.71 0.00 0.00 33.22 31.87 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89