#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 3.68 -0.19 5.98 0.20 -1.26 -4.72 118.68 122.38 2kum s LEU 2 Ca 0.00 -0.54 -0.29 0.00 0.69 0.00 0.00 54.13 53.99 2kum s LEU 2 Cb 0.00 -1.89 -0.03 0.00 -0.43 0.00 0.00 46.19 43.84 2kum s LEU 2 CO 0.00 -0.14 1.56 -0.76 -0.29 0.00 0.00 176.35 176.73 2kum s LEU 3 N 1.54 4.01 0.27 -0.68 2.01 -1.26 -4.95 118.68 119.61 2kum s LEU 3 Ca 0.04 1.72 -0.29 0.00 0.01 0.00 0.00 54.13 55.61 2kum s LEU 3 Cb -0.16 -3.53 -0.14 0.00 0.01 0.00 0.00 46.19 42.36 2kum s LEU 3 CO 0.03 -1.13 1.07 -2.65 1.01 0.00 0.00 176.35 174.67 2kum n PRO 4 N 7.42 1.37 -1.70 1.29 -0.02 -1.26 -4.79 135.00 137.31 2kum n PRO 4 Ca 0.18 0.48 -0.56 0.00 -2.02 0.00 0.00 63.50 61.58 2kum n PRO 4 Cb 0.45 -1.90 -0.07 0.00 -0.02 0.00 0.00 33.50 31.96 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 0.98 1.33 -1.24 0.52 -0.02 -1.26 -0.35 135.00 134.96 2kum n PRO 5 Ca 0.11 0.49 -0.08 0.00 -2.02 0.00 0.00 63.50 61.99 2kum n PRO 5 Cb 0.31 -2.19 -0.04 0.00 -0.02 0.00 0.00 33.50 31.56 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 5.36 -4.76 -3.54 2.55 7.64 -1.26 -4.89 113.62 114.72 2kum n SER 6 Ca 0.25 0.20 -0.33 0.00 1.01 0.00 0.00 58.87 60.00 2kum n SER 6 Cb 0.16 -2.99 -0.03 0.00 -1.01 0.00 0.00 64.21 60.34 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 -2.50 3.85 -3.16 0.44 -1.04 0.53 -5.03 114.28 107.37 2kum n THR 7 Ca -0.08 -5.60 -0.43 0.00 -2.04 0.00 0.00 64.05 55.90 2kum n THR 7 Cb 0.40 -1.90 -0.07 0.00 -1.82 0.00 0.00 70.33 66.94 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 -2.99 3.37 -0.30 2.41 0.00 -1.26 -4.40 121.76 118.59 2kum s ALA 8 Ca 0.39 -1.41 -0.01 0.00 0.00 0.00 0.00 51.96 50.93 2kum s ALA 8 Cb 0.15 -3.28 0.13 0.00 0.00 0.00 0.00 23.12 20.12 2kum s ALA 8 CO -0.01 -1.82 0.27 0.00 0.00 0.00 0.00 175.76 174.19 2kum n THR 11 N 3.43 0.43 -3.91 0.00 -2.24 -1.26 -4.94 114.28 105.79 2kum n THR 11 Ca -0.17 -0.66 -0.09 0.00 -2.27 0.00 0.00 64.05 60.86 2kum n THR 11 Cb 0.52 0.89 -0.08 0.00 -2.10 0.00 0.00 70.33 69.56 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 -1.57 0.74 0.01 -0.78 1.03 -1.26 -5.17 119.66 112.65 2kum s GLN 12 Ca 0.37 -0.95 0.01 0.00 0.04 0.00 0.00 55.36 54.84 2kum s GLN 12 Cb 0.22 0.29 -0.01 0.00 0.03 0.00 0.00 33.01 33.54 2kum s GLN 12 CO 0.31 -0.21 -0.04 -0.51 -2.54 0.00 0.00 175.29 172.29 2kum s LEU 13 N -2.67 2.10 0.03 2.60 1.43 -1.26 -4.70 118.68 116.21 2kum s LEU 13 Ca 0.03 -0.25 -0.07 0.00 -1.03 0.00 0.00 54.13 52.81 2kum s LEU 13 Cb 0.04 -0.13 -0.30 0.00 0.03 0.00 0.00 46.19 45.83 2kum s LEU 13 CO -0.09 -0.07 0.98 0.22 0.23 0.00 0.00 176.35 177.62 2kum h TYR 14 N 5.47 0.61 0.00 0.29 5.03 -0.42 -3.48 116.97 124.48 2kum h TYR 14 Ca -0.30 -0.45 0.00 0.00 2.58 0.00 0.00 58.73 60.57 2kum h TYR 14 Cb 1.20 -0.02 0.00 0.00 1.55 0.00 0.00 36.73 39.46 2kum h TYR 14 CO 0.50 1.41 0.00 0.54 -1.32 0.00 0.00 178.16 179.30 2kum n ARG 15 N -3.55 0.00 -1.85 1.82 1.74 -1.26 -4.92 116.66 108.64 2kum n ARG 15 Ca -0.14 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.57 2kum n ARG 15 Cb 1.05 0.00 0.05 0.00 -1.02 0.00 0.00 32.46 32.55 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 2.75 0.04 5.56 1.02 -1.26 -4.77 119.74 123.08 2kum s LYS 16 Ca 0.00 1.98 -0.30 0.00 0.02 0.00 0.00 55.97 57.67 2kum s LYS 16 Cb 0.00 -1.90 -0.08 0.00 -0.52 0.00 0.00 37.83 35.33 2kum s LYS 16 CO 0.00 -1.42 1.74 -2.14 -0.92 0.00 0.00 175.35 172.61 2kum s PRO 17 N -3.33 4.17 0.94 -1.68 0.02 -1.26 -5.00 135.00 128.87 2kum s PRO 17 Ca 0.80 2.39 -0.14 0.00 0.02 0.00 0.00 61.00 64.07 2kum s PRO 17 Cb -0.35 -3.82 0.16 0.00 0.02 0.00 0.00 34.50 30.51 2kum s PRO 17 CO 0.38 -0.82 1.18 -0.51 -0.33 0.00 0.00 177.00 176.89 2kum s LEU 18 N 3.40 2.06 0.05 -5.54 1.43 -1.26 -5.05 118.68 113.77 2kum s LEU 18 Ca 0.78 0.75 -0.12 0.00 -1.03 0.00 0.00 54.13 54.51 2kum s LEU 18 Cb -0.39 -2.97 -0.06 0.00 0.03 0.00 0.00 46.19 42.80 2kum s LEU 18 CO 0.34 -2.70 0.41 -0.55 0.23 0.00 0.00 176.35 174.08 2kum s SER 19 N -4.27 6.72 0.54 2.29 0.15 -1.26 -4.97 113.70 112.91 2kum s SER 19 Ca 0.67 0.88 0.20 0.00 0.70 0.00 0.00 55.95 58.40 2kum s SER 19 Cb -0.11 -2.21 1.41 0.00 -1.71 0.00 0.00 66.02 63.39 2kum s SER 19 CO 0.53 0.23 2.14 -0.78 1.20 0.00 0.00 173.24 176.57 2kum h ASP 20 N 4.12 0.00 -0.58 5.45 1.82 -1.98 -1.23 116.42 124.02 2kum h ASP 20 Ca -0.50 0.00 0.05 0.00 -0.39 0.00 0.00 57.03 56.19 2kum h ASP 20 Cb 1.20 0.00 -0.05 0.00 0.68 0.00 0.00 39.33 41.17 2kum h ASP 20 CO 0.64 0.00 0.31 0.11 -1.61 0.00 0.00 179.24 178.69 2kum h LYS 21 N 0.00 0.57 -0.06 0.28 1.57 -2.00 -1.09 116.57 115.84 2kum h LYS 21 Ca 0.04 -0.03 -0.19 0.00 -1.87 0.00 0.00 60.65 58.59 2kum h LYS 21 Cb 0.17 -0.13 -0.00 0.00 0.08 0.00 0.00 32.23 32.34 2kum h LYS 21 CO -0.00 0.38 -0.77 -0.07 -0.57 0.00 0.00 179.45 178.42 2kum h LEU 22 N 0.59 0.48 -0.99 2.94 3.38 -1.66 -3.28 115.31 116.77 2kum h LEU 22 Ca 0.25 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.83 2kum h LEU 22 Cb 0.14 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 2kum h LEU 22 CO -0.16 1.08 -0.01 -0.07 0.09 0.00 0.00 178.44 179.37 2kum h LEU 23 N 0.26 0.69 0.00 1.67 3.38 -0.66 -1.09 115.31 119.56 2kum h LEU 23 Ca -0.04 -0.16 0.00 0.00 0.09 0.00 0.00 57.88 57.77 2kum h LEU 23 Cb 1.36 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kum h LEU 23 CO 0.13 0.76 0.00 -2.11 0.09 0.00 0.00 178.44 177.32 2kum n ARG 24 N -4.23 0.54 -0.06 1.13 1.85 -0.48 -1.13 116.66 114.28 2kum n ARG 24 Ca 0.02 0.00 0.03 0.00 -1.00 0.00 0.00 57.85 56.90 2kum n ARG 24 Cb 0.29 -1.30 0.06 0.00 -1.05 0.00 0.00 32.46 30.47 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 -0.80 1.84 -2.50 2.89 5.02 -0.41 -4.71 118.16 119.48 2kum n LYS 25 Ca 0.08 -1.47 -0.39 0.00 -2.02 0.00 0.00 58.31 54.50 2kum n LYS 25 Cb 0.04 -1.14 -0.04 0.00 -0.02 0.00 0.00 35.03 33.87 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 -0.83 3.57 -0.06 -0.18 1.01 -0.29 -2.97 120.40 120.67 2kum s VAL 26 Ca 0.11 1.46 0.13 0.00 0.00 0.00 0.00 61.98 63.68 2kum s VAL 26 Cb 0.06 -3.88 -0.19 0.00 0.00 0.00 0.00 36.38 32.37 2kum s VAL 26 CO 0.08 0.26 0.21 2.30 0.00 0.00 0.00 175.10 177.95 2kum n ILE 27 N 0.82 0.30 -3.61 2.22 -5.35 0.18 -4.88 119.36 109.04 2kum n ILE 27 Ca 0.01 -0.39 -0.14 0.00 -0.27 0.00 0.00 62.75 61.96 2kum n ILE 27 Cb 0.46 -0.11 -0.06 0.00 -1.74 0.00 0.00 39.64 38.19 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 -2.71 0.98 -0.20 6.28 -1.52 -1.04 -5.04 119.66 116.41 2kum s GLN 28 Ca -0.05 -0.25 0.02 0.00 -1.95 0.00 0.00 55.36 53.12 2kum s GLN 28 Cb 0.07 0.45 0.03 0.00 -0.22 0.00 0.00 33.01 33.34 2kum s GLN 28 CO 0.54 -0.34 -0.17 0.14 -0.25 0.00 0.00 175.29 175.21 2kum s VAL 29 N -2.35 2.07 0.18 1.09 -7.23 -1.26 -1.45 120.40 111.45 2kum s VAL 29 Ca -0.06 -1.15 0.10 0.00 -1.81 0.00 0.00 61.98 59.06 2kum s VAL 29 Cb -0.01 -1.98 -0.04 0.00 0.56 0.00 0.00 36.38 34.91 2kum s VAL 29 CO -0.01 0.35 -0.22 -1.83 -0.31 0.00 0.00 175.10 173.09 2kum s GLU 30 N 1.24 1.41 -0.15 4.82 1.03 -0.82 -5.01 118.70 121.22 2kum s GLU 30 Ca 0.01 -1.47 0.02 0.00 0.03 0.00 0.00 54.97 53.56 2kum s GLU 30 Cb -0.15 -1.63 0.01 0.00 -0.80 0.00 0.00 34.13 31.56 2kum s GLU 30 CO -0.10 0.35 -0.22 -1.17 -1.33 0.00 0.00 175.26 172.79 2kum s LEU 31 N -2.65 2.12 -0.34 1.83 2.96 -1.26 -0.46 118.68 120.88 2kum s LEU 31 Ca 0.18 -0.61 -0.28 0.00 -0.22 0.00 0.00 54.13 53.21 2kum s LEU 31 Cb -0.07 -1.45 0.02 0.00 0.50 0.00 0.00 46.19 45.18 2kum s LEU 31 CO 0.08 0.07 1.01 -1.58 -1.32 0.00 0.00 176.35 174.61 2kum s GLN 32 N 0.88 3.98 0.41 1.98 0.74 0.16 -4.81 119.66 122.99 2kum s GLN 32 Ca -0.05 0.86 -0.16 0.00 0.05 0.00 0.00 55.36 56.05 2kum s GLN 32 Cb -0.15 -3.76 -0.09 0.00 1.10 0.00 0.00 33.01 30.11 2kum s GLN 32 CO -0.03 -0.91 0.85 -1.21 -0.55 0.00 0.00 175.29 173.44 2kum s GLU 33 N 3.57 4.01 0.00 1.67 2.02 -1.23 -0.76 118.70 127.97 2kum s GLU 33 Ca 0.42 0.81 0.20 0.00 0.02 0.00 0.00 54.97 56.42 2kum s GLU 33 Cb -0.12 -2.29 1.11 0.00 0.10 0.00 0.00 34.13 32.93 2kum s GLU 33 CO 0.17 -0.02 1.59 0.00 0.02 0.00 0.00 175.26 177.02 2kum n ALA 34 N -0.88 2.16 0.00 5.21 0.00 -1.22 -3.55 120.51 122.24 2kum n ALA 34 Ca 0.05 -0.11 0.00 0.00 0.00 0.00 0.00 53.44 53.38 2kum n ALA 34 Cb 0.54 -1.32 0.00 0.00 0.00 0.00 0.00 19.45 18.67 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 -1.11 0.00 -4.56 0.00 2.03 -0.85 -3.17 116.55 108.90 2kum n ASP 35 Ca 0.13 0.00 -0.33 0.00 0.52 0.00 0.00 54.79 55.11 2kum n ASP 35 Cb 0.10 0.00 -0.04 0.00 -0.72 0.00 0.00 41.12 40.46 2kum n ASP 35 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 2kum s GLY 36 N -1.05 0.30 0.00 0.27 0.00 -1.23 -3.76 107.32 101.84 2kum s GLY 36 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 2kum s GLY 36 CO 0.00 3.37 0.00 1.34 0.00 0.00 0.00 173.10 177.81 2kum n ASP 37 N 12.93 0.00 -4.01 1.64 -0.08 -1.26 -3.55 116.55 122.21 2kum n ASP 37 Ca 0.30 0.00 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 2kum n ASP 37 Cb 0.49 0.00 -0.08 0.00 2.34 0.00 0.00 41.12 43.87 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 -0.35 2.96 0.00 0.00 -0.00 -1.26 -2.01 115.22 114.56 2kum n HIS 39 Ca 0.02 -3.07 0.00 0.00 0.46 0.00 0.00 57.72 55.13 2kum n HIS 39 Cb 0.64 -0.99 0.00 0.00 -0.12 0.00 0.00 29.99 29.52 2kum n HIS 39 CO 0.00 0.00 0.00 1.47 0.46 0.00 0.00 176.34 178.27 2kum n LEU 40 N 0.49 0.00 -4.83 0.27 -0.00 -1.19 -4.92 117.00 106.83 2kum n LEU 40 Ca 0.35 0.00 -0.37 0.00 -0.00 0.00 0.00 56.01 55.99 2kum n LEU 40 Cb 0.33 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.68 2kum n LEU 40 CO 0.54 0.00 -0.14 -1.58 -0.00 0.00 0.00 177.39 176.21 2kum s GLN 41 N -1.97 3.71 -0.22 1.47 0.74 -1.25 -3.39 119.66 118.75 2kum s GLN 41 Ca 0.00 -0.10 -0.18 0.00 0.05 0.00 0.00 55.36 55.13 2kum s GLN 41 Cb 0.00 -3.26 0.06 0.00 1.10 0.00 0.00 33.01 30.91 2kum s GLN 41 CO 0.00 0.62 0.57 0.00 -0.55 0.00 0.00 175.29 175.94 2kum s ALA 42 N -0.60 -1.46 -0.23 1.58 0.00 0.06 -4.54 121.76 116.57 2kum s ALA 42 Ca 0.14 1.77 -0.17 0.00 0.00 0.00 0.00 51.96 53.70 2kum s ALA 42 Cb -0.12 -1.04 -0.03 0.00 0.00 0.00 0.00 23.12 21.93 2kum s ALA 42 CO 0.03 -0.29 0.48 -0.06 0.00 0.00 0.00 175.76 175.92 2kum s PHE 43 N 0.75 3.31 -0.21 0.00 0.08 -0.27 0.38 117.98 122.02 2kum s PHE 43 Ca -0.04 0.65 -0.04 0.00 0.12 0.00 0.00 56.93 57.63 2kum s PHE 43 Cb -0.05 -2.66 -0.02 0.00 -0.57 0.00 0.00 43.02 39.72 2kum s PHE 43 CO -0.05 -0.18 -0.03 0.08 -0.10 0.00 0.00 175.22 174.94 2kum s VAL 44 N 1.93 3.61 -0.33 -0.44 1.01 0.39 0.13 120.40 126.69 2kum s VAL 44 Ca 0.21 -0.42 -0.17 0.00 0.00 0.00 0.00 61.98 61.60 2kum s VAL 44 Cb -0.15 -2.63 -0.01 0.00 0.00 0.00 0.00 36.38 33.58 2kum s VAL 44 CO 0.09 0.43 0.46 -0.76 0.00 0.00 0.00 175.10 175.32 2kum s LEU 45 N 1.25 4.31 -0.48 3.92 1.43 0.67 -1.95 118.68 127.84 2kum s LEU 45 Ca 0.03 0.00 -0.13 0.00 -1.03 0.00 0.00 54.13 53.01 2kum s LEU 45 Cb -0.14 -2.52 0.10 0.00 0.03 0.00 0.00 46.19 43.66 2kum s LEU 45 CO -0.00 -0.40 0.38 -2.28 0.23 0.00 0.00 176.35 174.28 2kum s HIS 46 N 2.26 3.30 0.50 0.29 2.46 -0.53 -0.13 115.29 123.44 2kum s HIS 46 Ca 0.17 -1.33 -0.07 0.00 0.47 0.00 0.00 55.06 54.29 2kum s HIS 46 Cb -0.16 -3.33 -0.04 0.00 -0.13 0.00 0.00 32.58 28.92 2kum s HIS 46 CO 0.12 -0.90 0.83 -0.51 -2.47 0.00 0.00 174.74 171.81 2kum s LEU 47 N 1.53 3.58 0.60 8.88 1.02 -0.46 0.49 118.68 134.32 2kum s LEU 47 Ca 0.04 1.06 0.38 0.00 0.02 0.00 0.00 54.13 55.62 2kum s LEU 47 Cb -0.26 -4.02 1.91 0.00 0.02 0.00 0.00 46.19 43.84 2kum s LEU 47 CO 0.03 -0.61 2.19 0.00 0.02 0.00 0.00 176.35 177.99 2kum h ALA 48 N 0.28 1.06 0.03 4.21 0.00 -1.87 -2.90 119.26 120.08 2kum h ALA 48 Ca -0.46 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.18 2kum h ALA 48 Cb 1.20 -0.00 -0.03 0.00 0.00 0.00 0.00 17.79 18.96 2kum h ALA 48 CO 0.62 0.03 -1.34 1.96 0.00 0.00 0.00 179.25 180.51 2kum h GLN 49 N 0.00 0.07 -2.47 0.00 7.50 -1.93 -3.50 115.11 114.77 2kum h GLN 49 Ca -0.00 -0.11 0.14 0.00 0.50 0.00 0.00 58.65 59.18 2kum h GLN 49 Cb 0.22 0.04 -0.09 0.00 0.05 0.00 0.00 27.48 27.71 2kum h GLN 49 CO 0.00 1.05 0.43 -0.98 -1.50 0.00 0.00 178.83 177.84 2kum s ARG 50 N -2.40 1.24 0.15 1.46 1.04 -1.09 -4.93 118.95 114.41 2kum s ARG 50 Ca -0.27 -0.65 0.06 0.00 -1.04 0.00 0.00 55.73 53.83 2kum s ARG 50 Cb 0.05 0.45 -0.04 0.00 -2.04 0.00 0.00 34.95 33.37 2kum s ARG 50 CO 0.64 -0.56 0.04 -1.54 -0.04 0.00 0.00 175.30 173.84 2kum s SER 51 N -2.86 5.09 -0.04 -2.89 1.04 -1.26 -1.36 113.70 111.41 2kum s SER 51 Ca 0.10 -0.25 0.07 0.00 0.48 0.00 0.00 55.95 56.35 2kum s SER 51 Cb -0.02 -1.21 -0.01 0.00 0.10 0.00 0.00 66.02 64.88 2kum s SER 51 CO 0.00 0.11 -0.24 -0.63 0.98 0.00 0.00 173.24 173.46 2kum s ILE 52 N -1.62 1.97 -0.26 -1.02 1.01 0.81 -4.89 121.20 117.20 2kum s ILE 52 Ca 0.28 -1.04 -0.09 0.00 0.00 0.00 0.00 60.65 59.80 2kum s ILE 52 Cb -0.10 -1.66 -0.04 0.00 0.01 0.00 0.00 42.46 40.67 2kum s ILE 52 CO 0.20 0.55 0.14 0.00 0.00 0.00 0.00 174.94 175.83 2kum s ILE 54 N 1.50 3.12 0.17 0.00 1.01 0.12 0.40 121.20 127.53 2kum s ILE 54 Ca 0.06 -1.09 -0.30 0.00 0.00 0.00 0.00 60.65 59.32 2kum s ILE 54 Cb -0.15 -2.36 -0.08 0.00 0.01 0.00 0.00 42.46 39.88 2kum s ILE 54 CO 0.07 0.31 1.26 -2.28 0.00 0.00 0.00 174.94 174.30 2kum s HIS 55 N -0.99 3.34 1.36 3.97 5.65 -1.26 -1.11 115.29 126.24 2kum s HIS 55 Ca 0.16 1.29 -0.22 0.00 0.25 0.00 0.00 55.06 56.54 2kum s HIS 55 Cb -0.11 -3.52 0.34 0.00 -1.18 0.00 0.00 32.58 28.11 2kum s HIS 55 CO 0.07 -1.60 1.00 -2.14 -0.65 0.00 0.00 174.74 171.42 2kum s PRO 56 N 0.03 -2.46 -1.49 2.88 0.02 -1.26 -3.84 135.00 128.88 2kum s PRO 56 Ca 0.56 -0.01 0.00 0.00 0.02 0.00 0.00 61.00 61.57 2kum s PRO 56 Cb -0.34 -1.44 0.00 0.00 0.02 0.00 0.00 34.50 32.73 2kum s PRO 56 CO 0.36 -4.54 0.00 1.04 -0.33 0.00 0.00 177.00 173.53 2kum n GLN 57 N -5.36 -1.86 -4.55 5.54 3.00 -1.26 -4.95 117.38 107.93 2kum n GLN 57 Ca 0.14 0.84 -0.33 0.00 -0.01 0.00 0.00 57.00 57.64 2kum n GLN 57 Cb 0.60 -5.44 -0.14 0.00 0.00 0.00 0.00 30.24 25.26 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 -2.09 4.12 0.45 1.08 2.47 -1.25 -5.01 114.94 114.71 2kum s ASN 58 Ca 0.00 -0.33 0.21 0.00 0.42 0.00 0.00 52.86 53.16 2kum s ASN 58 Cb 0.00 -1.65 1.18 0.00 -1.45 0.00 0.00 41.25 39.33 2kum s ASN 58 CO 0.00 0.13 1.88 -0.65 -3.72 0.00 0.00 177.10 174.74 2kum h PRO 59 N 7.01 0.29 0.37 0.43 0.11 -1.92 -2.01 132.00 136.28 2kum h PRO 59 Ca -0.30 -0.02 -0.00 0.00 0.11 0.00 0.00 66.00 65.79 2kum h PRO 59 Cb 1.20 -0.06 -0.02 0.00 0.11 0.00 0.00 31.00 32.22 2kum h PRO 59 CO 0.58 0.19 -0.39 0.77 -0.21 0.00 0.00 178.00 178.94 2kum h SER 60 N 0.30 -1.05 -0.56 -2.05 0.02 -1.95 0.32 113.55 108.58 2kum h SER 60 Ca 0.43 0.09 -0.03 0.00 -0.84 0.00 0.00 61.79 61.44 2kum h SER 60 Cb 1.21 0.36 -0.03 0.00 0.14 0.00 0.00 62.40 64.08 2kum h SER 60 CO -0.12 -0.53 0.26 0.25 -1.14 0.00 0.00 176.83 175.54 2kum h LEU 61 N -0.79 0.76 0.08 5.07 7.12 -1.83 -1.20 115.31 124.53 2kum h LEU 61 Ca -0.03 -0.09 -0.00 0.00 0.13 0.00 0.00 57.88 57.89 2kum h LEU 61 Cb 0.71 -0.20 0.00 0.00 -0.53 0.00 0.00 40.66 40.64 2kum h LEU 61 CO -0.07 0.67 -0.04 0.28 -0.13 0.00 0.00 178.44 179.15 2kum h SER 62 N 0.84 -0.09 -0.62 1.25 0.02 -0.70 0.12 113.55 114.37 2kum h SER 62 Ca 0.20 -0.06 -0.00 0.00 -0.84 0.00 0.00 61.79 61.09 2kum h SER 62 Cb 0.13 0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.66 2kum h SER 62 CO -0.02 0.00 0.38 1.56 -1.14 0.00 0.00 176.83 177.61 2kum h GLN 63 N -0.17 0.86 -0.01 3.45 4.20 -0.24 -1.59 115.11 121.60 2kum h GLN 63 Ca -0.01 -0.07 -0.08 0.00 0.06 0.00 0.00 58.65 58.55 2kum h GLN 63 Cb 0.14 -0.18 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 2kum h GLN 63 CO 0.02 0.60 -0.38 2.35 -0.67 0.00 0.00 178.83 180.75 2kum h TRP 64 N 0.87 0.03 -0.17 2.96 -0.00 -0.45 0.16 115.95 119.35 2kum h TRP 64 Ca 0.23 -0.01 0.05 0.00 -0.00 0.00 0.00 58.89 59.16 2kum h TRP 64 Cb -0.03 -0.01 -0.05 0.00 -0.00 0.00 0.00 29.16 29.06 2kum h TRP 64 CO 0.00 0.40 -0.17 0.74 -0.00 0.00 0.00 178.44 179.41 2kum h PHE 65 N 0.03 -0.44 0.04 2.65 0.04 0.25 0.59 116.94 120.10 2kum h PHE 65 Ca -0.00 0.03 -0.23 0.00 2.80 0.00 0.00 57.97 60.57 2kum h PHE 65 Cb 0.68 0.22 -0.02 0.00 2.20 0.00 0.00 35.95 39.04 2kum h PHE 65 CO 0.00 -0.25 -1.05 0.93 -0.60 0.00 0.00 178.31 177.35 2kum h GLU 66 N -0.19 0.12 -0.29 1.51 4.39 -1.48 -2.90 114.58 115.73 2kum h GLU 66 Ca 0.11 -0.19 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 2kum h GLU 66 Cb 0.36 0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2kum h GLU 66 CO -0.29 1.05 -0.24 0.45 -1.16 0.00 0.00 179.01 178.83 2kum h HIS 67 N 0.04 0.64 0.00 4.33 3.86 -0.39 -2.65 115.15 120.98 2kum h HIS 67 Ca -0.06 -0.14 -0.11 0.00 -1.16 0.00 0.00 60.37 58.91 2kum h HIS 67 Cb 1.77 -0.16 -0.02 0.00 1.06 0.00 0.00 27.41 30.07 2kum h HIS 67 CO 0.03 0.76 -0.52 -0.56 0.86 0.00 0.00 177.93 178.49 2kum h GLN 68 N 0.50 0.00 -0.38 2.45 3.07 0.16 -2.66 115.11 118.24 2kum h GLN 68 Ca 0.07 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.83 2kum h GLN 68 Cb 0.68 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.22 2kum h GLN 68 CO 0.05 0.52 0.25 1.49 0.09 0.00 0.00 178.83 181.24 2kum h GLU 69 N 0.00 0.43 -0.39 0.06 4.57 -1.26 -2.50 114.58 115.50 2kum h GLU 69 Ca -0.01 -0.03 -0.22 0.00 -1.18 0.00 0.00 59.36 57.93 2kum h GLU 69 Cb 1.14 -0.10 -0.13 0.00 -0.16 0.00 0.00 28.75 29.50 2kum h GLU 69 CO 0.07 0.28 -0.12 2.89 -1.18 0.00 0.00 179.01 180.95 2kum n ARG 70 N -4.48 1.96 0.00 1.92 1.85 -1.03 -4.97 116.66 111.91 2kum n ARG 70 Ca 0.03 -3.27 0.00 0.00 -1.00 0.00 0.00 57.85 53.61 2kum n ARG 70 Cb 0.12 -1.85 0.00 0.00 -1.05 0.00 0.00 32.46 29.68 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 -1.10 0.00 -3.29 2.89 4.81 -0.94 -4.96 118.16 115.58 2kum n LYS 71 Ca 0.35 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.57 2kum n LYS 71 Cb 1.01 0.00 -0.01 0.00 0.02 0.00 0.00 35.03 36.05 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 -1.46 0.00 3.14 7.99 -1.26 -0.87 117.00 124.54 2kum n LEU 72 Ca 0.00 -0.33 0.00 0.00 -0.01 0.00 0.00 56.01 55.67 2kum n LEU 72 Cb 0.00 -2.08 0.00 0.00 -0.11 0.00 0.00 43.42 41.23 2kum n LEU 72 CO 0.00 0.13 0.00 1.57 -1.51 0.00 0.00 177.39 177.58 2kum n HIS 73 N -3.85 0.00 -2.30 -1.77 -0.00 -1.26 -2.00 115.22 104.04 2kum n HIS 73 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 2kum n HIS 73 Cb 0.54 -1.08 0.00 0.00 -0.00 0.00 0.00 29.99 29.46 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 -1.18 0.80 0.00 1.57 0.00 -0.05 -5.09 105.19 101.25 2kum n GLY 74 Ca 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 46.02 45.42 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 -1.99 0.00 0.00 2.61 -2.24 -0.84 -5.09 114.28 106.73 2kum n THR 75 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 2kum n THR 75 Cb 0.49 -1.07 0.00 0.00 -2.10 0.00 0.00 70.33 67.65 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 0.00 -4.59 3.22 4.77 -1.26 -4.82 117.00 114.31 2kum n LEU 76 Ca 0.00 0.00 -0.43 0.00 -0.03 0.00 0.00 56.01 55.55 2kum n LEU 76 Cb 0.00 0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 41.64 2kum n LEU 76 CO 0.00 0.00 0.86 -2.16 -1.33 0.00 0.00 177.39 174.76 2kum s PRO 77 N -3.59 3.70 -0.91 3.23 0.04 -1.26 -4.98 135.00 131.24 2kum s PRO 77 Ca 0.00 0.46 -0.24 0.00 0.04 0.00 0.00 61.00 61.26 2kum s PRO 77 Cb 0.00 -3.88 0.02 0.00 0.04 0.00 0.00 34.50 30.68 2kum s PRO 77 CO 0.00 -1.20 1.59 0.15 0.04 0.00 0.00 177.00 177.59 2kum s LYS 78 N 3.93 3.18 0.00 4.56 1.02 -1.26 -4.59 119.74 126.57 2kum s LYS 78 Ca 0.42 -0.63 0.00 0.00 0.02 0.00 0.00 55.97 55.78 2kum s LYS 78 Cb -0.10 -5.03 0.00 0.00 -0.52 0.00 0.00 37.83 32.19 2kum s LYS 78 CO 0.26 -2.56 0.00 1.47 -0.92 0.00 0.00 175.35 173.60 2kum n LEU 79 N 10.64 0.00 -1.78 3.17 -0.00 -1.26 -5.00 117.00 122.77 2kum n LEU 79 Ca 0.29 0.00 -0.05 0.00 -0.00 0.00 0.00 56.01 56.26 2kum n LEU 79 Cb 0.50 0.00 -0.07 0.00 -0.00 0.00 0.00 43.42 43.85 2kum n LEU 79 CO 0.65 0.00 1.17 -0.46 -0.00 0.00 0.00 177.39 178.76 2kum n ASN 80 N -0.23 4.77 0.23 1.45 6.94 -1.26 -4.44 115.26 122.71 2kum n ASN 80 Ca 0.00 -2.32 0.08 0.00 -0.02 0.00 0.00 54.58 52.32 2kum n ASN 80 Cb 0.00 -1.13 0.53 0.00 -2.36 0.00 0.00 39.78 36.82 2kum n ASN 80 CO 0.00 0.00 0.00 2.19 -1.03 0.00 0.00 177.26 178.42 2kum h PHE 81 N 2.21 0.00 -0.75 -2.53 -0.00 -1.91 0.08 116.94 114.04 2kum h PHE 81 Ca 0.08 0.00 -0.30 0.00 -0.00 0.00 0.00 57.97 57.75 2kum h PHE 81 Cb 1.11 0.00 -0.18 0.00 -0.00 0.00 0.00 35.95 36.88 2kum h PHE 81 CO 0.91 0.24 0.38 0.41 -0.00 0.00 0.00 178.31 180.25 2kum n GLY 82 N -0.38 3.72 5.00 6.09 0.00 -1.26 -4.95 105.19 113.40 2kum n GLY 82 Ca -0.01 -0.90 0.00 0.00 0.00 0.00 0.00 46.02 45.10 2kum n GLY 82 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2kum n MET 83 N -0.44 0.00 -0.15 1.61 2.81 0.01 -3.98 117.12 116.99 2kum n MET 83 Ca 0.43 0.00 0.09 0.00 -1.81 0.00 0.00 57.70 56.40 2kum n MET 83 Cb 1.38 0.00 0.26 0.00 -0.71 0.00 0.00 33.22 34.15 2kum n MET 83 CO 0.00 0.00 0.00 1.47 1.51 0.00 0.00 175.97 178.95 2kum n LEU 84 N 0.00 2.04 -4.78 4.03 -0.00 -1.26 -4.82 117.00 112.21 2kum n LEU 84 Ca 0.00 -0.94 -0.41 0.00 -0.00 0.00 0.00 56.01 54.66 2kum n LEU 84 Cb 0.00 -0.20 0.00 0.00 -0.00 0.00 0.00 43.42 43.22 2kum n LEU 84 CO 0.00 0.47 1.13 -0.13 -0.00 0.00 0.00 177.39 178.86 2kum s ARG 85 N -1.60 4.07 0.00 1.47 1.81 -1.26 -0.68 118.95 122.76 2kum s ARG 85 Ca 0.30 2.55 0.00 0.00 -1.72 0.00 0.00 55.73 56.86 2kum s ARG 85 Cb 0.16 -2.94 0.00 0.00 -0.45 0.00 0.00 34.95 31.72 2kum s ARG 85 CO 0.22 -0.56 0.00 1.63 -0.68 0.00 0.00 175.30 175.92 2kum n LYS 86 N 0.39 0.00 0.06 3.54 5.02 -1.26 -4.51 118.16 121.40 2kum n LYS 86 Ca 0.01 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.32 2kum n LYS 86 Cb 0.40 -1.57 -0.05 0.00 -0.02 0.00 0.00 35.03 33.78 2kum n LYS 86 CO 0.00 0.00 0.00 0.52 -0.52 0.00 0.00 177.40 177.40 2kum h MET 87 N 0.52 0.00 0.00 1.97 2.86 -1.80 -3.53 114.93 114.94 2kum h MET 87 Ca 0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2kum h MET 87 Cb 0.00 0.00 0.00 0.00 0.06 0.00 0.00 31.60 31.66 2kum h MET 87 CO 0.00 0.30 0.00 0.41 1.06 0.00 0.00 176.91 178.68