#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 4.47 -0.04 -2.13 0.05 -1.26 -5.02 118.68 114.75 2kum s LEU 2 Ca 0.00 1.03 -0.30 0.00 0.05 0.00 0.00 54.13 54.92 2kum s LEU 2 Cb 0.00 -2.69 -0.07 0.00 -2.05 0.00 0.00 46.19 41.38 2kum s LEU 2 CO 0.00 0.27 1.94 -0.22 -0.55 0.00 0.00 176.35 177.80 2kum s LEU 3 N -0.89 4.21 0.12 1.48 0.20 -1.26 -4.89 118.68 117.65 2kum s LEU 3 Ca 0.25 2.40 -0.35 0.00 0.69 0.00 0.00 54.13 57.13 2kum s LEU 3 Cb -0.17 -3.53 -0.15 0.00 -0.43 0.00 0.00 46.19 41.91 2kum s LEU 3 CO 0.15 -1.21 1.48 -2.65 -0.29 0.00 0.00 176.35 173.83 2kum n PRO 4 N 7.70 1.71 -1.45 0.98 -0.02 -1.26 -3.85 135.00 138.81 2kum n PRO 4 Ca 0.21 0.62 -0.56 0.00 -2.02 0.00 0.00 63.50 61.75 2kum n PRO 4 Cb 0.42 -2.33 -0.09 0.00 -0.02 0.00 0.00 33.50 31.48 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 3.10 0.68 -1.83 0.52 -0.02 -1.26 -0.38 135.00 135.81 2kum n PRO 5 Ca 0.18 0.20 -0.17 0.00 -2.02 0.00 0.00 63.50 61.69 2kum n PRO 5 Cb 0.24 -2.02 -0.05 0.00 -0.02 0.00 0.00 33.50 31.66 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 7.88 -5.02 -3.85 2.55 7.64 -1.26 -4.91 113.62 116.66 2kum n SER 6 Ca 0.42 0.24 -0.37 0.00 1.01 0.00 0.00 58.87 60.18 2kum n SER 6 Cb 0.10 -4.05 -0.03 0.00 -1.01 0.00 0.00 64.21 59.22 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 -3.13 3.95 -2.53 0.44 -1.04 0.49 -5.02 114.28 107.44 2kum n THR 7 Ca -0.18 -5.54 -0.41 0.00 -2.04 0.00 0.00 64.05 55.88 2kum n THR 7 Cb 0.60 -2.16 -0.03 0.00 -1.82 0.00 0.00 70.33 66.92 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 -2.39 2.69 -0.33 2.41 0.00 -1.26 -4.59 121.76 118.28 2kum s ALA 8 Ca 0.33 -1.79 0.01 0.00 0.00 0.00 0.00 51.96 50.51 2kum s ALA 8 Cb 0.05 -4.40 0.15 0.00 0.00 0.00 0.00 23.12 18.92 2kum s ALA 8 CO 0.02 -3.51 0.33 0.00 0.00 0.00 0.00 175.76 172.60 2kum n THR 11 N 5.09 0.07 -3.94 0.00 -2.24 -1.26 -4.88 114.28 107.13 2kum n THR 11 Ca -0.13 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.40 2kum n THR 11 Cb 0.51 0.04 -0.05 0.00 -2.10 0.00 0.00 70.33 68.72 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 -1.93 1.43 0.06 -0.78 1.03 -1.26 -5.19 119.66 113.02 2kum s GLN 12 Ca 0.34 -1.16 0.02 0.00 0.04 0.00 0.00 55.36 54.60 2kum s GLN 12 Cb 0.17 0.46 -0.03 0.00 0.03 0.00 0.00 33.01 33.64 2kum s GLN 12 CO 0.27 -0.58 -0.08 -0.51 -2.54 0.00 0.00 175.29 171.85 2kum s LEU 13 N -2.98 2.31 -0.12 2.60 1.43 -1.26 -4.83 118.68 115.83 2kum s LEU 13 Ca 0.19 -0.65 -0.10 0.00 -1.03 0.00 0.00 54.13 52.53 2kum s LEU 13 Cb 0.00 -0.18 -0.26 0.00 0.03 0.00 0.00 46.19 45.79 2kum s LEU 13 CO 0.05 -0.25 0.40 0.22 0.23 0.00 0.00 176.35 177.00 2kum h TYR 14 N 4.15 0.44 0.00 0.29 3.20 -1.36 -3.48 116.97 120.21 2kum h TYR 14 Ca -0.36 -0.32 0.00 0.00 3.14 0.00 0.00 58.73 61.18 2kum h TYR 14 Cb 1.19 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.45 2kum h TYR 14 CO 0.63 1.72 0.00 0.54 -1.64 0.00 0.00 178.16 179.41 2kum n ARG 15 N -3.67 0.00 -1.91 1.82 1.74 -1.23 -4.93 116.66 108.48 2kum n ARG 15 Ca -0.31 0.00 -0.37 0.00 -0.77 0.00 0.00 57.85 56.41 2kum n ARG 15 Cb 0.99 0.00 0.04 0.00 -1.02 0.00 0.00 32.46 32.47 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 2.96 0.58 5.56 1.02 -1.26 -4.95 119.74 123.65 2kum s LYS 16 Ca 0.00 1.97 -0.20 0.00 0.02 0.00 0.00 55.97 57.76 2kum s LYS 16 Cb 0.00 -2.02 -0.04 0.00 -0.52 0.00 0.00 37.83 35.25 2kum s LYS 16 CO 0.00 -1.25 1.24 -2.30 -0.92 0.00 0.00 175.35 172.11 2kum n PRO 17 N -1.46 1.35 -3.42 -1.68 -0.02 -1.26 -5.01 135.00 123.50 2kum n PRO 17 Ca 0.13 0.51 -0.23 0.00 -2.02 0.00 0.00 63.50 61.89 2kum n PRO 17 Cb 0.48 -2.45 -0.01 0.00 -0.02 0.00 0.00 33.50 31.51 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 -3.20 4.00 -0.05 2.45 1.43 -1.26 -5.07 118.68 116.98 2kum s LEU 18 Ca 0.75 0.30 -0.23 0.00 -1.03 0.00 0.00 54.13 53.92 2kum s LEU 18 Cb -0.42 -3.16 -0.04 0.00 0.03 0.00 0.00 46.19 42.60 2kum s LEU 18 CO 0.47 -0.34 0.69 -0.44 0.23 0.00 0.00 176.35 176.96 2kum s SER 19 N -4.07 7.00 0.49 2.29 0.01 -1.26 -4.95 113.70 113.21 2kum s SER 19 Ca 0.41 1.20 0.18 0.00 1.31 0.00 0.00 55.95 59.05 2kum s SER 19 Cb -0.10 -2.41 1.22 0.00 0.21 0.00 0.00 66.02 64.94 2kum s SER 19 CO 0.35 -0.09 2.03 -0.78 0.41 0.00 0.00 173.24 175.16 2kum h ASP 20 N 6.58 0.15 -0.72 2.44 1.82 -1.98 -1.06 116.42 123.65 2kum h ASP 20 Ca -0.42 0.00 -0.05 0.00 -0.39 0.00 0.00 57.03 56.18 2kum h ASP 20 Cb 1.20 -0.03 -0.03 0.00 0.68 0.00 0.00 39.33 41.15 2kum h ASP 20 CO 0.75 0.09 0.27 0.11 -1.61 0.00 0.00 179.24 178.85 2kum h LYS 21 N 0.17 1.08 0.00 0.28 1.79 -2.00 -0.15 116.57 117.73 2kum h LYS 21 Ca 0.19 -0.21 -0.16 0.00 -2.18 0.00 0.00 60.65 58.30 2kum h LYS 21 Cb 0.56 -0.17 -0.02 0.00 -1.58 0.00 0.00 32.23 31.01 2kum h LYS 21 CO -0.03 0.90 -0.77 1.37 -1.08 0.00 0.00 179.45 179.84 2kum h LEU 22 N 1.03 0.00 -0.46 2.94 8.10 -1.70 -3.33 115.31 121.89 2kum h LEU 22 Ca 0.24 0.00 -0.07 0.00 0.11 0.00 0.00 57.88 58.16 2kum h LEU 22 Cb 0.24 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.44 2kum h LEU 22 CO -0.02 0.77 0.03 -0.07 -4.11 0.00 0.00 178.44 175.04 2kum h LEU 23 N 0.00 0.77 -2.21 0.17 3.38 -0.38 -1.54 115.31 115.50 2kum h LEU 23 Ca -0.01 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.67 2kum h LEU 23 Cb 1.37 -0.21 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kum h LEU 23 CO 0.10 0.87 0.02 0.08 0.09 0.00 0.00 178.44 179.60 2kum h ARG 24 N 0.64 0.00 -0.17 1.13 0.11 -1.16 0.14 114.38 115.07 2kum h ARG 24 Ca 0.13 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.21 2kum h ARG 24 Cb 0.46 0.00 0.00 0.00 1.11 0.00 0.00 29.97 31.54 2kum h ARG 24 CO 0.02 0.00 0.00 1.63 0.10 0.00 0.00 179.97 181.72 2kum n LYS 25 N -2.68 2.25 -2.33 0.08 5.02 -0.59 -4.36 118.16 115.55 2kum n LYS 25 Ca -0.02 -1.86 -0.38 0.00 -2.02 0.00 0.00 58.31 54.04 2kum n LYS 25 Cb 0.07 -1.48 -0.02 0.00 -0.02 0.00 0.00 35.03 33.58 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 -1.80 3.25 -0.07 -0.18 1.01 0.48 -2.80 120.40 120.30 2kum s VAL 26 Ca 0.34 1.00 0.07 0.00 0.00 0.00 0.00 61.98 63.39 2kum s VAL 26 Cb 0.21 -3.54 -0.10 0.00 0.00 0.00 0.00 36.38 32.95 2kum s VAL 26 CO 0.31 0.05 0.04 2.30 0.00 0.00 0.00 175.10 177.80 2kum n ILE 27 N -0.10 0.45 -3.77 2.22 -5.35 0.39 -4.46 119.36 108.74 2kum n ILE 27 Ca 0.05 -0.30 -0.12 0.00 -0.27 0.00 0.00 62.75 62.11 2kum n ILE 27 Cb 0.47 -0.67 -0.08 0.00 -1.74 0.00 0.00 39.64 37.63 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 -2.23 0.74 -0.15 6.28 -1.52 -0.97 -4.99 119.66 116.82 2kum s GLN 28 Ca -0.04 -0.40 -0.04 0.00 -1.95 0.00 0.00 55.36 52.93 2kum s GLN 28 Cb 0.03 0.32 -0.03 0.00 -0.22 0.00 0.00 33.01 33.10 2kum s GLN 28 CO 0.31 -0.22 0.01 0.54 -0.25 0.00 0.00 175.29 175.67 2kum s VAL 29 N -2.09 4.31 0.21 1.09 0.11 -1.26 -1.27 120.40 121.50 2kum s VAL 29 Ca -0.08 -0.22 0.06 0.00 -2.93 0.00 0.00 61.98 58.81 2kum s VAL 29 Cb -0.03 -2.89 -0.05 0.00 -1.53 0.00 0.00 36.38 31.89 2kum s VAL 29 CO -0.01 0.51 -0.08 -1.83 -3.33 0.00 0.00 175.10 170.37 2kum s GLU 30 N 0.02 1.31 -0.11 1.54 -1.05 0.38 -4.98 118.70 115.81 2kum s GLU 30 Ca 0.03 -1.62 -0.01 0.00 -0.15 0.00 0.00 54.97 53.21 2kum s GLU 30 Cb -0.13 -0.88 0.03 0.00 -0.44 0.00 0.00 34.13 32.71 2kum s GLU 30 CO 0.02 0.06 -0.01 -1.17 0.95 0.00 0.00 175.26 175.11 2kum s LEU 31 N -3.31 0.85 -0.39 1.83 2.96 -1.26 0.01 118.68 119.38 2kum s LEU 31 Ca 0.24 -0.29 -0.29 0.00 -0.22 0.00 0.00 54.13 53.57 2kum s LEU 31 Cb 0.03 -0.56 0.01 0.00 0.50 0.00 0.00 46.19 46.16 2kum s LEU 31 CO 0.07 -0.20 1.40 -1.58 -1.32 0.00 0.00 176.35 174.72 2kum s GLN 32 N 1.89 3.64 0.20 1.98 0.74 0.94 -4.88 119.66 124.17 2kum s GLN 32 Ca 0.04 1.02 -0.16 0.00 0.05 0.00 0.00 55.36 56.31 2kum s GLN 32 Cb -0.13 -4.00 -0.08 0.00 1.10 0.00 0.00 33.01 29.90 2kum s GLN 32 CO -0.06 -1.48 0.63 -1.21 -0.55 0.00 0.00 175.29 172.61 2kum s GLU 33 N 4.81 4.07 0.00 1.67 0.41 -1.25 -1.13 118.70 127.27 2kum s GLU 33 Ca 0.61 0.63 0.27 0.00 -0.41 0.00 0.00 54.97 56.06 2kum s GLU 33 Cb -0.15 -2.84 1.59 0.00 -1.78 0.00 0.00 34.13 30.96 2kum s GLU 33 CO 0.31 0.40 1.96 0.00 -0.49 0.00 0.00 175.26 177.43 2kum n ALA 34 N 0.57 2.53 0.00 5.21 0.00 -1.18 -2.24 120.51 125.40 2kum n ALA 34 Ca -0.03 -0.17 0.00 0.00 0.00 0.00 0.00 53.44 53.25 2kum n ALA 34 Cb 0.52 -1.43 0.00 0.00 0.00 0.00 0.00 19.45 18.53 2kum n ALA 34 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 2kum n ASP 35 N -0.98 0.00 -0.33 0.00 5.75 -0.80 -4.02 116.55 116.17 2kum n ASP 35 Ca 0.20 0.00 0.02 0.00 -0.01 0.00 0.00 54.79 55.00 2kum n ASP 35 Cb 0.09 0.00 0.05 0.00 -1.03 0.00 0.00 41.12 40.24 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 2kum n GLY 36 N -0.23 0.04 0.25 6.12 0.00 -1.26 -4.58 105.19 105.52 2kum n GLY 36 Ca 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 46.02 45.89 2kum n GLY 36 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2kum n ASP 37 N -0.10 -0.34 -1.38 1.61 2.03 -1.26 -4.92 116.55 112.20 2kum n ASP 37 Ca 0.04 0.37 0.00 0.00 0.52 0.00 0.00 54.79 55.72 2kum n ASP 37 Cb 0.17 0.63 0.00 0.00 -0.72 0.00 0.00 41.12 41.19 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum n HIS 39 N -0.29 0.00 -4.35 0.00 1.44 -1.25 -1.90 115.22 108.87 2kum n HIS 39 Ca 0.00 -0.01 -0.18 0.00 -2.01 0.00 0.00 57.72 55.52 2kum n HIS 39 Cb 0.00 -0.00 -0.10 0.00 0.12 0.00 0.00 29.99 30.01 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 -0.51 2.48 -0.08 2.39 0.05 -1.26 -4.64 118.68 117.12 2kum s LEU 40 Ca 0.07 -1.09 0.03 0.00 0.05 0.00 0.00 54.13 53.19 2kum s LEU 40 Cb 0.05 -0.56 -0.02 0.00 -2.05 0.00 0.00 46.19 43.61 2kum s LEU 40 CO 0.08 -0.28 -0.17 -1.58 -0.55 0.00 0.00 176.35 173.84 2kum s GLN 41 N -3.71 2.87 -0.21 1.48 0.74 -1.25 -3.10 119.66 116.48 2kum s GLN 41 Ca 0.24 -0.76 -0.14 0.00 0.05 0.00 0.00 55.36 54.75 2kum s GLN 41 Cb 0.02 -2.40 0.06 0.00 1.10 0.00 0.00 33.01 31.79 2kum s GLN 41 CO 0.07 0.38 0.52 0.00 -0.55 0.00 0.00 175.29 175.71 2kum s ALA 42 N -0.12 -1.34 -0.38 1.58 0.00 -0.28 -4.54 121.76 116.67 2kum s ALA 42 Ca -0.03 1.74 -0.25 0.00 0.00 0.00 0.00 51.96 53.42 2kum s ALA 42 Cb -0.14 -1.03 0.02 0.00 0.00 0.00 0.00 23.12 21.97 2kum s ALA 42 CO 0.04 -0.29 0.89 -0.06 0.00 0.00 0.00 175.76 176.34 2kum s PHE 43 N 1.09 3.06 -0.09 0.00 0.08 0.19 -0.04 117.98 122.27 2kum s PHE 43 Ca -0.07 0.64 -0.00 0.00 0.12 0.00 0.00 56.93 57.62 2kum s PHE 43 Cb -0.06 -3.64 -0.03 0.00 -0.57 0.00 0.00 43.02 38.72 2kum s PHE 43 CO -0.10 -0.85 -0.06 0.08 -0.10 0.00 0.00 175.22 174.19 2kum s VAL 44 N 3.42 3.75 -0.20 -0.44 1.01 0.10 -2.48 120.40 125.56 2kum s VAL 44 Ca 0.36 -0.45 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 2kum s VAL 44 Cb -0.12 -2.56 -0.03 0.00 0.00 0.00 0.00 36.38 33.68 2kum s VAL 44 CO 0.20 0.58 0.02 -0.76 0.00 0.00 0.00 175.10 175.13 2kum s LEU 45 N -0.57 3.36 -0.32 3.92 1.43 -0.54 -0.47 118.68 125.50 2kum s LEU 45 Ca 0.09 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 52.99 2kum s LEU 45 Cb -0.12 -1.85 0.05 0.00 0.03 0.00 0.00 46.19 44.30 2kum s LEU 45 CO 0.02 0.07 0.05 -2.28 0.23 0.00 0.00 176.35 174.44 2kum s HIS 46 N 0.94 3.28 0.79 0.29 5.65 -0.39 -0.18 115.29 125.67 2kum s HIS 46 Ca 0.02 -1.74 -0.12 0.00 0.25 0.00 0.00 55.06 53.47 2kum s HIS 46 Cb -0.14 -2.23 0.07 0.00 -1.18 0.00 0.00 32.58 29.10 2kum s HIS 46 CO 0.02 -0.79 1.14 -0.51 -0.65 0.00 0.00 174.74 173.95 2kum s LEU 47 N 1.30 2.57 0.51 8.88 1.02 0.11 -0.46 118.68 132.61 2kum s LEU 47 Ca -0.03 0.97 0.32 0.00 0.02 0.00 0.00 54.13 55.41 2kum s LEU 47 Cb -0.20 -3.54 1.77 0.00 0.02 0.00 0.00 46.19 44.24 2kum s LEU 47 CO 0.00 -1.82 1.99 0.00 0.02 0.00 0.00 176.35 176.54 2kum h ALA 48 N -0.99 1.04 0.00 4.21 0.00 -1.85 -3.00 119.26 118.67 2kum h ALA 48 Ca -0.46 0.00 -0.33 0.00 0.00 0.00 0.00 54.91 54.12 2kum h ALA 48 Cb 1.30 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 19.04 2kum h ALA 48 CO 0.64 -0.04 -2.08 1.04 0.00 0.00 0.00 179.25 178.82 2kum n GLN 49 N -2.67 0.47 -4.07 0.00 3.00 -1.26 -5.08 117.38 107.77 2kum n GLN 49 Ca -0.02 0.21 -0.10 0.00 -0.01 0.00 0.00 57.00 57.07 2kum n GLN 49 Cb 0.10 -1.29 -0.07 0.00 0.00 0.00 0.00 30.24 28.97 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 -2.45 1.39 0.22 -1.09 1.04 -1.13 -4.73 118.95 112.20 2kum s ARG 50 Ca -0.31 -1.38 0.09 0.00 -1.04 0.00 0.00 55.73 53.09 2kum s ARG 50 Cb 0.11 0.39 -0.04 0.00 -2.04 0.00 0.00 34.95 33.37 2kum s ARG 50 CO 0.39 -0.54 -0.02 -1.12 -0.04 0.00 0.00 175.30 173.98 2kum s SER 51 N -3.06 4.59 0.03 -2.89 0.01 -1.25 0.05 113.70 111.18 2kum s SER 51 Ca 0.28 -0.53 0.08 0.00 1.31 0.00 0.00 55.95 57.08 2kum s SER 51 Cb 0.02 -0.89 -0.02 0.00 0.21 0.00 0.00 66.02 65.34 2kum s SER 51 CO 0.09 0.05 -0.22 -0.63 0.41 0.00 0.00 173.24 172.94 2kum s ILE 52 N -1.98 1.77 -0.26 1.44 1.01 0.75 -4.71 121.20 119.23 2kum s ILE 52 Ca 0.29 -1.19 -0.10 0.00 0.00 0.00 0.00 60.65 59.65 2kum s ILE 52 Cb -0.08 -1.52 -0.04 0.00 0.01 0.00 0.00 42.46 40.82 2kum s ILE 52 CO 0.19 0.29 0.15 0.00 0.00 0.00 0.00 174.94 175.56 2kum s ILE 54 N 1.46 0.96 0.23 0.00 1.01 -1.03 -0.78 121.20 123.05 2kum s ILE 54 Ca 0.07 -0.74 -0.18 0.00 0.00 0.00 0.00 60.65 59.79 2kum s ILE 54 Cb -0.15 -0.85 -0.08 0.00 0.01 0.00 0.00 42.46 41.39 2kum s ILE 54 CO 0.07 0.10 0.71 -1.38 0.00 0.00 0.00 174.94 174.44 2kum s HIS 55 N -0.59 3.59 0.21 3.97 -3.43 -1.26 -0.64 115.29 117.15 2kum s HIS 55 Ca 0.02 1.32 -0.18 0.00 -0.80 0.00 0.00 55.06 55.43 2kum s HIS 55 Cb -0.06 -2.58 0.21 0.00 -1.43 0.00 0.00 32.58 28.72 2kum s HIS 55 CO 0.00 0.30 1.57 -1.35 -2.00 0.00 0.00 174.74 173.26 2kum h PRO 56 N 3.21 -0.07 -4.25 -0.38 0.11 -1.89 -3.07 132.00 125.65 2kum h PRO 56 Ca -0.48 0.00 -0.71 0.00 0.11 0.00 0.00 66.00 64.93 2kum h PRO 56 Cb 1.19 0.02 -0.06 0.00 0.11 0.00 0.00 31.00 32.26 2kum h PRO 56 CO 0.65 -0.05 2.88 1.04 -0.21 0.00 0.00 178.00 182.32 2kum n GLN 57 N -5.47 2.97 -4.26 1.05 1.13 -1.26 -4.82 117.38 106.73 2kum n GLN 57 Ca 0.08 -2.80 -0.20 0.00 -1.94 0.00 0.00 57.00 52.14 2kum n GLN 57 Cb 0.38 -3.29 -0.16 0.00 0.11 0.00 0.00 30.24 27.29 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 3.16 1.06 0.40 1.08 3.84 -1.16 -5.04 114.94 118.27 2kum s ASN 58 Ca 0.47 -0.16 0.12 0.00 0.21 0.00 0.00 52.86 53.50 2kum s ASN 58 Cb 0.12 -0.46 0.93 0.00 -0.55 0.00 0.00 41.25 41.29 2kum s ASN 58 CO -0.06 -0.02 1.94 -0.65 -2.79 0.00 0.00 177.10 175.53 2kum h PRO 59 N 6.96 0.52 0.00 0.43 0.11 -1.92 -1.73 132.00 136.37 2kum h PRO 59 Ca -0.36 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 65.65 2kum h PRO 59 Cb 1.16 -0.12 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2kum h PRO 59 CO 0.48 0.35 -0.32 1.03 -0.21 0.00 0.00 178.00 179.32 2kum h SER 60 N 0.54 0.00 0.11 -2.05 0.87 -1.96 -2.68 113.55 108.37 2kum h SER 60 Ca 0.34 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 60.76 2kum h SER 60 Cb 0.59 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.57 2kum h SER 60 CO -0.12 0.32 -0.62 0.25 -0.53 0.00 0.00 176.83 176.13 2kum h LEU 61 N 0.00 0.36 0.08 2.23 7.12 -1.67 -2.85 115.31 120.59 2kum h LEU 61 Ca -0.00 -0.96 -0.00 0.00 0.13 0.00 0.00 57.88 57.04 2kum h LEU 61 Cb 0.91 -0.12 0.00 0.00 -0.53 0.00 0.00 40.66 40.93 2kum h LEU 61 CO 0.04 1.30 -0.04 0.28 -0.13 0.00 0.00 178.44 179.89 2kum h SER 62 N -0.50 -0.09 0.02 1.25 0.02 -1.51 -2.01 113.55 110.73 2kum h SER 62 Ca -0.11 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.70 2kum h SER 62 Cb 1.49 0.02 -0.00 0.00 0.14 0.00 0.00 62.40 64.05 2kum h SER 62 CO 0.12 0.09 -0.01 0.06 -1.14 0.00 0.00 176.83 175.94 2kum h GLN 63 N -0.26 0.00 -0.02 3.45 -0.00 -1.62 -0.66 115.11 116.00 2kum h GLN 63 Ca -0.01 0.00 -0.15 0.00 -0.00 0.00 0.00 58.65 58.49 2kum h GLN 63 Cb 0.22 0.00 -0.02 0.00 -0.00 0.00 0.00 27.48 27.69 2kum h GLN 63 CO 0.02 0.01 -0.67 2.35 -0.00 0.00 0.00 178.83 180.54 2kum h TRP 64 N 0.00 0.12 -0.61 0.06 -0.00 -1.16 -1.96 115.95 112.40 2kum h TRP 64 Ca -0.00 -0.05 0.06 0.00 -0.00 0.00 0.00 58.89 58.90 2kum h TRP 64 Cb 0.03 -0.02 -0.05 0.00 -0.00 0.00 0.00 29.16 29.11 2kum h TRP 64 CO 0.00 0.73 0.31 0.74 -0.00 0.00 0.00 178.44 180.22 2kum h PHE 65 N 0.06 0.57 -0.32 2.65 0.04 -0.41 0.87 116.94 120.39 2kum h PHE 65 Ca -0.01 0.02 -0.17 0.00 2.80 0.00 0.00 57.97 60.61 2kum h PHE 65 Cb 1.19 -0.17 -0.00 0.00 2.20 0.00 0.00 35.95 39.17 2kum h PHE 65 CO 0.01 0.25 -0.47 0.93 -0.60 0.00 0.00 178.31 178.43 2kum h GLU 66 N 0.58 0.89 0.04 1.51 5.08 -1.53 -2.95 114.58 118.19 2kum h GLU 66 Ca 0.28 -0.53 -0.23 0.00 -1.00 0.00 0.00 59.36 57.88 2kum h GLU 66 Cb 0.21 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.51 2kum h GLU 66 CO -0.20 1.17 -1.01 0.45 -1.00 0.00 0.00 179.01 178.42 2kum h HIS 67 N 0.69 0.52 0.00 4.33 3.86 -0.70 -2.87 115.15 120.98 2kum h HIS 67 Ca 0.03 -0.31 -0.08 0.00 -1.16 0.00 0.00 60.37 58.86 2kum h HIS 67 Cb 1.08 -0.05 -0.01 0.00 1.06 0.00 0.00 27.41 29.49 2kum h HIS 67 CO 0.07 1.15 -0.37 -0.56 0.86 0.00 0.00 177.93 179.08 2kum h GLN 68 N 0.16 0.00 -0.61 2.45 3.07 0.66 -0.81 115.11 120.04 2kum h GLN 68 Ca -0.09 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.64 2kum h GLN 68 Cb 1.67 0.00 -0.03 0.00 0.08 0.00 0.00 27.48 29.20 2kum h GLN 68 CO 0.17 0.37 0.33 1.49 0.09 0.00 0.00 178.83 181.28 2kum h GLU 69 N 0.00 0.84 -0.11 0.06 4.81 -1.32 -1.84 114.58 117.02 2kum h GLU 69 Ca -0.00 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.14 2kum h GLU 69 Cb 0.74 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.95 2kum h GLU 69 CO 0.05 0.62 0.00 2.89 -0.73 0.00 0.00 179.01 181.84 2kum n ARG 70 N -4.38 2.19 0.00 1.92 1.85 -0.88 -4.69 116.66 112.68 2kum n ARG 70 Ca 0.06 -1.75 0.00 0.00 -1.00 0.00 0.00 57.85 55.15 2kum n ARG 70 Cb 0.10 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.04 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 1.08 3.53 -2.39 2.89 5.02 -0.36 -4.89 118.16 123.03 2kum n LYS 71 Ca 0.16 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.33 2kum n LYS 71 Cb 0.53 0.00 -0.01 0.00 -0.02 0.00 0.00 35.03 35.54 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 -1.10 0.00 -0.35 4.32 -1.25 -0.98 117.00 117.64 2kum n LEU 72 Ca 0.00 0.21 0.00 0.00 -0.02 0.00 0.00 56.01 56.20 2kum n LEU 72 Cb 0.00 -2.10 0.00 0.00 -1.62 0.00 0.00 43.42 39.70 2kum n LEU 72 CO 0.00 -0.15 0.00 1.57 -1.22 0.00 0.00 177.39 177.59 2kum n HIS 73 N -3.29 0.00 0.00 -1.77 -0.00 -1.26 -3.43 115.22 105.47 2kum n HIS 73 Ca -0.14 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.04 2kum n HIS 73 Cb 0.60 -0.43 0.00 0.00 -0.12 0.00 0.00 29.99 30.04 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 -2.00 2.96 3.51 1.57 0.00 -0.15 -4.93 105.19 106.14 2kum n GLY 74 Ca 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.13 4.46 0.03 2.61 -4.23 -1.22 -4.94 115.64 110.23 2kum s THR 75 Ca 0.00 -1.62 0.01 0.00 -1.18 0.00 0.00 61.69 58.91 2kum s THR 75 Cb 0.00 -4.96 -0.02 0.00 1.34 0.00 0.00 72.50 68.86 2kum s THR 75 CO 0.00 -1.74 -0.06 -0.76 -0.54 0.00 0.00 174.62 171.52 2kum s LEU 76 N 3.37 2.25 0.50 4.79 1.43 -1.26 -5.06 118.68 124.69 2kum s LEU 76 Ca 0.42 -0.53 -0.06 0.00 -1.03 0.00 0.00 54.13 52.93 2kum s LEU 76 Cb -0.02 -0.06 -0.03 0.00 0.03 0.00 0.00 46.19 46.11 2kum s LEU 76 CO -0.05 -0.24 0.81 -2.16 0.23 0.00 0.00 176.35 174.94 2kum s PRO 77 N -1.54 3.52 -1.09 1.29 0.04 -1.26 -4.99 135.00 130.98 2kum s PRO 77 Ca -0.12 0.24 -0.22 0.00 0.04 0.00 0.00 61.00 60.93 2kum s PRO 77 Cb -0.10 -2.35 0.04 0.00 0.04 0.00 0.00 34.50 32.13 2kum s PRO 77 CO -0.00 -0.26 1.59 0.21 0.04 0.00 0.00 177.00 178.58 2kum s LYS 78 N -4.79 3.55 -0.15 4.56 2.20 -1.26 -4.75 119.74 119.10 2kum s LYS 78 Ca 0.48 -1.27 0.07 0.00 -0.36 0.00 0.00 55.97 54.89 2kum s LYS 78 Cb -0.10 -5.37 0.45 0.00 -1.51 0.00 0.00 37.83 31.30 2kum s LYS 78 CO 0.46 -2.40 1.25 1.47 -0.36 0.00 0.00 175.35 175.77 2kum n LEU 79 N 9.45 3.90 -1.91 5.43 -0.00 -1.26 -4.84 117.00 127.76 2kum n LEU 79 Ca 0.38 -1.99 -0.16 0.00 -0.00 0.00 0.00 56.01 54.24 2kum n LEU 79 Cb 0.49 -0.62 -0.00 0.00 -0.00 0.00 0.00 43.42 43.29 2kum n LEU 79 CO 0.68 0.51 -0.18 0.59 -0.00 0.00 0.00 177.39 179.00 2kum n ASN 80 N 0.24 -4.84 0.06 1.45 3.02 -1.26 -4.87 115.26 109.07 2kum n ASN 80 Ca 0.18 -0.04 0.09 0.00 -0.03 0.00 0.00 54.58 54.78 2kum n ASN 80 Cb 0.84 -3.92 0.38 0.00 -0.61 0.00 0.00 39.78 36.48 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 -4.05 0.36 0.26 3.10 -1.74 -1.26 -2.73 117.46 111.41 2kum n PHE 81 Ca -0.18 0.15 0.10 0.00 -0.56 0.00 0.00 57.45 56.96 2kum n PHE 81 Cb 0.64 -0.74 0.69 0.00 1.52 0.00 0.00 39.48 41.59 2kum n PHE 81 CO 0.00 0.00 0.00 0.78 -0.56 0.00 0.00 176.76 176.98 2kum h GLY 82 N 2.19 0.00 1.84 4.97 0.00 -1.95 -1.12 103.07 109.01 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 0.00 0.00 0.00 1.15 0.00 0.00 0.00 176.54 177.69 2kum n MET 83 N -4.41 0.11 0.00 4.80 0.00 -1.10 -2.37 117.12 114.15 2kum n MET 83 Ca -0.03 0.14 0.00 0.00 0.00 0.00 0.00 57.70 57.81 2kum n MET 83 Cb 0.11 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.83 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 -1.42 0.74 -4.57 3.17 0.00 -0.52 -3.39 117.00 111.01 2kum n LEU 84 Ca 0.07 -0.79 -0.33 0.00 0.00 0.00 0.00 56.01 54.96 2kum n LEU 84 Cb 0.20 0.00 -0.04 0.00 0.00 0.00 0.00 43.42 43.58 2kum n LEU 84 CO 0.17 0.19 1.52 -0.60 0.00 0.00 0.00 177.39 178.66 2kum s ARG 85 N -0.09 3.02 0.00 1.96 3.52 -0.61 -3.71 118.95 123.03 2kum s ARG 85 Ca 0.00 -0.99 0.00 0.00 -0.13 0.00 0.00 55.73 54.61 2kum s ARG 85 Cb 0.00 -5.26 0.00 0.00 -1.56 0.00 0.00 34.95 28.13 2kum s ARG 85 CO 0.00 -3.08 0.00 1.17 -0.81 0.00 0.00 175.30 172.58 2kum n LYS 86 N 8.64 -0.13 -0.13 5.12 3.00 -1.26 -4.67 118.16 128.73 2kum n LYS 86 Ca 0.41 0.03 0.08 0.00 -0.00 0.00 0.00 58.31 58.83 2kum n LYS 86 Cb 0.48 -3.82 0.11 0.00 0.00 0.00 0.00 35.03 31.79 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.40 176.07 2kum n MET 87 N -1.84 1.20 0.00 1.64 2.81 -1.25 -5.20 117.12 114.48 2kum n MET 87 Ca 0.00 -2.22 0.00 0.00 -1.81 0.00 0.00 57.70 53.67 2kum n MET 87 Cb 0.03 -1.29 0.00 0.00 -0.71 0.00 0.00 33.22 31.25 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89