#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 4.35 -0.53 -2.13 0.20 -1.26 -5.00 118.68 114.32 2kum s LEU 2 Ca 0.00 1.83 -0.29 0.00 0.69 0.00 0.00 54.13 56.36 2kum s LEU 2 Cb 0.00 -3.57 0.03 0.00 -0.43 0.00 0.00 46.19 42.21 2kum s LEU 2 CO 0.00 -0.40 1.22 -0.76 -0.29 0.00 0.00 176.35 176.12 2kum s LEU 3 N 1.22 3.52 0.42 -0.68 2.01 -1.26 -5.01 118.68 118.90 2kum s LEU 3 Ca 0.55 0.31 -0.26 0.00 0.01 0.00 0.00 54.13 54.75 2kum s LEU 3 Cb -0.25 -3.32 -0.08 0.00 0.01 0.00 0.00 46.19 42.54 2kum s LEU 3 CO 0.27 -1.43 1.32 -2.84 1.01 0.00 0.00 176.35 174.68 2kum s PRO 4 N 4.85 3.88 0.22 1.29 0.02 -1.26 -4.94 135.00 139.06 2kum s PRO 4 Ca 0.47 2.18 -0.32 0.00 0.02 0.00 0.00 61.00 63.35 2kum s PRO 4 Cb -0.08 -2.70 -0.13 0.00 0.02 0.00 0.00 34.50 31.60 2kum s PRO 4 CO 0.28 -0.57 1.47 -2.30 -0.33 0.00 0.00 177.00 175.55 2kum n PRO 5 N 0.00 2.11 -2.08 5.54 -0.02 -1.26 -1.44 135.00 137.85 2kum n PRO 5 Ca 0.04 0.76 -0.15 0.00 -2.02 0.00 0.00 63.50 62.13 2kum n PRO 5 Cb 0.44 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.43 2kum n PRO 5 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2kum n SER 6 N 2.54 -4.23 -3.60 2.55 3.41 -1.26 -4.90 113.62 108.13 2kum n SER 6 Ca 0.13 0.22 -0.28 0.00 -0.26 0.00 0.00 58.87 58.67 2kum n SER 6 Cb 0.31 -3.67 -0.12 0.00 -0.26 0.00 0.00 64.21 60.47 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 2kum s THR 7 N -2.56 1.11 -1.06 6.66 2.01 -0.52 -5.05 115.64 116.23 2kum s THR 7 Ca 0.00 -2.72 -0.22 0.00 0.31 0.00 0.00 61.69 59.06 2kum s THR 7 Cb 0.00 -1.77 0.06 0.00 0.01 0.00 0.00 72.50 70.80 2kum s THR 7 CO 0.00 -1.03 1.48 0.00 -0.69 0.00 0.00 174.62 174.37 2kum s ALA 8 N 0.09 2.87 -0.25 7.40 0.00 -1.26 -4.03 121.76 126.59 2kum s ALA 8 Ca 0.23 -2.42 -0.01 0.00 0.00 0.00 0.00 51.96 49.76 2kum s ALA 8 Cb -0.12 -4.51 0.08 0.00 0.00 0.00 0.00 23.12 18.56 2kum s ALA 8 CO -0.08 -3.51 0.04 0.00 0.00 0.00 0.00 175.76 172.21 2kum n THR 11 N 4.83 0.16 -3.94 0.00 -2.24 -1.26 -4.87 114.28 106.97 2kum n THR 11 Ca -0.17 -0.58 -0.08 0.00 -2.27 0.00 0.00 64.05 60.94 2kum n THR 11 Cb 0.50 1.23 -0.08 0.00 -2.10 0.00 0.00 70.33 69.88 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 -1.41 0.72 0.05 -0.78 1.03 -1.26 -5.18 119.66 112.84 2kum s GLN 12 Ca 0.24 -0.99 0.01 0.00 0.04 0.00 0.00 55.36 54.66 2kum s GLN 12 Cb 0.16 0.28 -0.03 0.00 0.03 0.00 0.00 33.01 33.45 2kum s GLN 12 CO 0.23 -0.20 -0.06 -0.51 -2.54 0.00 0.00 175.29 172.21 2kum s LEU 13 N -2.72 2.34 0.03 2.60 1.43 -1.26 -4.81 118.68 116.28 2kum s LEU 13 Ca 0.03 -0.70 -0.10 0.00 -1.03 0.00 0.00 54.13 52.34 2kum s LEU 13 Cb 0.05 -0.06 -0.32 0.00 0.03 0.00 0.00 46.19 45.89 2kum s LEU 13 CO -0.09 -0.32 0.97 0.22 0.23 0.00 0.00 176.35 177.36 2kum h TYR 14 N 4.02 0.73 0.00 0.29 3.20 -1.67 -3.48 116.97 120.06 2kum h TYR 14 Ca -0.35 -0.53 0.00 0.00 3.14 0.00 0.00 58.73 60.99 2kum h TYR 14 Cb 1.19 -0.03 0.00 0.00 1.54 0.00 0.00 36.73 39.43 2kum h TYR 14 CO 0.62 1.47 0.00 0.54 -1.64 0.00 0.00 178.16 179.16 2kum n ARG 15 N -3.61 0.00 -1.83 1.82 1.74 -1.26 -4.92 116.66 108.61 2kum n ARG 15 Ca -0.16 0.00 -0.31 0.00 -0.77 0.00 0.00 57.85 56.62 2kum n ARG 15 Cb 1.07 -0.13 0.03 0.00 -1.02 0.00 0.00 32.46 32.41 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 3.11 0.67 5.56 3.01 -1.26 -5.03 119.74 125.81 2kum s LYS 16 Ca 0.00 0.63 -0.12 0.00 -1.01 0.00 0.00 55.97 55.47 2kum s LYS 16 Cb 0.00 -2.04 -0.00 0.00 -1.01 0.00 0.00 37.83 34.78 2kum s LYS 16 CO 0.00 -0.89 1.06 -1.25 0.51 0.00 0.00 175.35 174.78 2kum s PRO 17 N -5.25 3.02 0.00 -1.68 0.04 -1.26 -4.98 135.00 124.90 2kum s PRO 17 Ca 0.57 1.01 -0.01 0.00 0.04 0.00 0.00 61.00 62.61 2kum s PRO 17 Cb -0.11 -2.00 -0.04 0.00 0.04 0.00 0.00 34.50 32.39 2kum s PRO 17 CO 0.53 -1.04 0.11 -0.51 0.04 0.00 0.00 177.00 176.13 2kum s LEU 18 N -5.31 4.00 0.34 -3.56 1.43 -1.26 -5.07 118.68 109.25 2kum s LEU 18 Ca 0.59 0.18 -0.26 0.00 -1.03 0.00 0.00 54.13 53.61 2kum s LEU 18 Cb -0.14 -2.38 -0.09 0.00 0.03 0.00 0.00 46.19 43.60 2kum s LEU 18 CO 0.51 0.26 1.04 -0.44 0.23 0.00 0.00 176.35 177.94 2kum s SER 19 N -1.86 7.05 0.49 2.29 0.01 -1.26 -4.94 113.70 115.47 2kum s SER 19 Ca 0.25 2.06 0.18 0.00 1.31 0.00 0.00 55.95 59.74 2kum s SER 19 Cb -0.12 -2.60 1.19 0.00 0.21 0.00 0.00 66.02 64.71 2kum s SER 19 CO 0.16 -0.29 2.06 -0.78 0.41 0.00 0.00 173.24 174.80 2kum h ASP 20 N 3.06 0.00 -0.43 2.44 1.82 -1.98 -1.69 116.42 119.64 2kum h ASP 20 Ca -0.47 0.00 0.04 0.00 -0.39 0.00 0.00 57.03 56.21 2kum h ASP 20 Cb 1.21 0.00 -0.04 0.00 0.68 0.00 0.00 39.33 41.18 2kum h ASP 20 CO 0.64 0.12 0.19 0.11 -1.61 0.00 0.00 179.24 178.69 2kum h LYS 21 N 0.00 0.37 0.00 0.28 1.57 -2.00 -0.56 116.57 116.24 2kum h LYS 21 Ca -0.00 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.64 2kum h LYS 21 Cb 0.22 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.43 2kum h LYS 21 CO 0.02 0.24 -0.58 1.37 -0.57 0.00 0.00 179.45 179.93 2kum h LEU 22 N 0.38 0.00 -0.69 2.94 8.10 -1.77 -3.22 115.31 121.05 2kum h LEU 22 Ca 0.19 0.00 -0.08 0.00 0.11 0.00 0.00 57.88 58.10 2kum h LEU 22 Cb 0.14 0.00 -0.03 0.00 -0.44 0.00 0.00 40.66 40.33 2kum h LEU 22 CO -0.16 0.58 0.13 -0.07 -4.11 0.00 0.00 178.44 174.80 2kum h LEU 23 N 0.00 1.08 0.00 0.17 3.38 -0.50 -1.51 115.31 117.94 2kum h LEU 23 Ca -0.01 -0.25 0.00 0.00 0.09 0.00 0.00 57.88 57.71 2kum h LEU 23 Cb 1.19 -0.29 0.00 0.00 0.09 0.00 0.00 40.66 41.66 2kum h LEU 23 CO 0.07 1.06 0.00 -2.11 0.09 0.00 0.00 178.44 177.55 2kum n ARG 24 N -4.22 0.60 -0.05 1.13 1.85 -0.30 -1.32 116.66 114.37 2kum n ARG 24 Ca 0.05 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.92 2kum n ARG 24 Cb 0.29 -1.31 0.05 0.00 -1.05 0.00 0.00 32.46 30.44 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 -0.81 1.81 -2.37 2.89 5.02 -0.58 -4.67 118.16 119.45 2kum n LYS 25 Ca 0.09 -1.40 -0.33 0.00 -2.02 0.00 0.00 58.31 54.65 2kum n LYS 25 Cb 0.04 -1.10 -0.02 0.00 -0.02 0.00 0.00 35.03 33.92 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 -0.79 4.05 0.00 -0.18 1.01 -0.43 -2.02 120.40 122.04 2kum s VAL 26 Ca 0.08 1.10 0.00 0.00 0.00 0.00 0.00 61.98 63.16 2kum s VAL 26 Cb 0.05 -3.51 0.00 0.00 0.00 0.00 0.00 36.38 32.92 2kum s VAL 26 CO 0.06 -0.45 0.00 2.30 0.00 0.00 0.00 175.10 177.01 2kum n ILE 27 N -1.44 0.00 -4.03 2.22 -5.35 0.08 -4.75 119.36 106.09 2kum n ILE 27 Ca 0.08 0.00 -0.09 0.00 -0.27 0.00 0.00 62.75 62.47 2kum n ILE 27 Cb 0.53 -0.75 -0.11 0.00 -1.74 0.00 0.00 39.64 37.57 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 -1.82 0.44 -0.05 6.28 -1.52 -0.03 -4.89 119.66 118.06 2kum s GLN 28 Ca 0.00 -0.80 0.05 0.00 -1.95 0.00 0.00 55.36 52.66 2kum s GLN 28 Cb 0.00 0.05 -0.00 0.00 -0.22 0.00 0.00 33.01 32.83 2kum s GLN 28 CO 0.00 -0.04 -0.20 0.08 -0.25 0.00 0.00 175.29 174.88 2kum s VAL 29 N -2.08 1.64 0.00 1.09 1.01 -1.26 -0.12 120.40 120.69 2kum s VAL 29 Ca -0.09 -0.83 0.02 0.00 0.00 0.00 0.00 61.98 61.08 2kum s VAL 29 Cb -0.05 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.91 2kum s VAL 29 CO -0.03 0.47 -0.06 -1.83 0.00 0.00 0.00 175.10 173.65 2kum s GLU 30 N 0.05 0.44 -0.29 2.72 -1.05 0.02 -4.88 118.70 115.70 2kum s GLU 30 Ca -0.06 -0.29 -0.07 0.00 -0.15 0.00 0.00 54.97 54.41 2kum s GLU 30 Cb -0.13 -0.39 0.00 0.00 -0.44 0.00 0.00 34.13 33.18 2kum s GLU 30 CO 0.03 0.10 0.08 -1.17 0.95 0.00 0.00 175.26 175.26 2kum s LEU 31 N -0.38 3.81 -0.54 1.83 2.96 -1.26 0.16 118.68 125.26 2kum s LEU 31 Ca -0.00 -0.62 -0.28 0.00 -0.22 0.00 0.00 54.13 53.02 2kum s LEU 31 Cb -0.03 -1.90 0.00 0.00 0.50 0.00 0.00 46.19 44.76 2kum s LEU 31 CO -0.00 -0.17 1.58 -1.58 -1.32 0.00 0.00 176.35 174.86 2kum s GLN 32 N 1.53 3.15 -0.07 1.98 0.74 0.16 -4.94 119.66 122.21 2kum s GLN 32 Ca 0.03 0.63 -0.30 0.00 0.05 0.00 0.00 55.36 55.78 2kum s GLN 32 Cb -0.17 -4.20 -0.03 0.00 1.10 0.00 0.00 33.01 29.71 2kum s GLN 32 CO 0.03 -2.11 1.27 -1.21 -0.55 0.00 0.00 175.29 172.71 2kum s GLU 33 N 5.89 4.31 0.00 1.67 2.02 -1.26 -2.67 118.70 128.66 2kum s GLU 33 Ca 0.60 1.74 0.00 0.00 0.02 0.00 0.00 54.97 57.33 2kum s GLU 33 Cb -0.13 -3.62 0.00 0.00 0.10 0.00 0.00 34.13 30.48 2kum s GLU 33 CO 0.25 -0.54 0.55 0.00 0.02 0.00 0.00 175.26 175.54 2kum n ALA 34 N 5.59 2.05 0.00 5.21 0.00 -1.24 -3.17 120.51 128.95 2kum n ALA 34 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 2kum n ALA 34 Cb 0.45 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.90 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 0.73 0.00 0.24 0.00 2.03 -0.18 -3.91 116.55 115.47 2kum n ASP 35 Ca 0.00 0.00 0.09 0.00 0.52 0.00 0.00 54.79 55.40 2kum n ASP 35 Cb 0.27 0.00 0.66 0.00 -0.72 0.00 0.00 41.12 41.33 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 -1.97 -3.36 103.07 98.01 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 -0.57 1.34 0.00 0.00 0.00 176.54 177.31 2kum n ASP 37 N -4.48 0.07 -3.82 0.19 2.03 -1.23 -5.08 116.55 104.22 2kum n ASP 37 Ca -0.02 0.03 -0.09 0.00 0.52 0.00 0.00 54.79 55.22 2kum n ASP 37 Cb 0.13 -0.01 -0.06 0.00 -0.72 0.00 0.00 41.12 40.46 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum s HIS 39 N -3.88 2.59 0.14 0.00 -3.43 -1.26 -1.01 115.29 108.45 2kum s HIS 39 Ca 0.08 1.16 0.00 0.00 -0.80 0.00 0.00 55.06 55.50 2kum s HIS 39 Cb 0.03 -3.16 0.00 0.00 -1.43 0.00 0.00 32.58 28.02 2kum s HIS 39 CO -0.07 -2.08 0.00 -0.11 -2.00 0.00 0.00 174.74 170.47 2kum n LEU 40 N -3.65 -2.95 -4.78 5.38 7.94 -1.25 -4.62 117.00 113.06 2kum n LEU 40 Ca 0.07 1.06 -0.36 0.00 -1.11 0.00 0.00 56.01 55.68 2kum n LEU 40 Cb 0.56 -0.36 -0.07 0.00 0.53 0.00 0.00 43.42 44.08 2kum n LEU 40 CO 0.56 -0.12 -0.19 -1.58 -1.11 0.00 0.00 177.39 174.96 2kum s GLN 41 N -3.85 3.82 -0.06 1.96 0.74 -1.26 -3.94 119.66 117.06 2kum s GLN 41 Ca 0.00 -0.20 -0.23 0.00 0.05 0.00 0.00 55.36 54.99 2kum s GLN 41 Cb 0.00 -3.29 0.05 0.00 1.10 0.00 0.00 33.01 30.87 2kum s GLN 41 CO 0.00 0.51 0.51 0.00 -0.55 0.00 0.00 175.29 175.76 2kum s ALA 42 N -0.26 -1.31 -0.45 1.58 0.00 -1.09 -4.40 121.76 115.83 2kum s ALA 42 Ca 0.11 0.96 -0.17 0.00 0.00 0.00 0.00 51.96 52.86 2kum s ALA 42 Cb -0.12 -0.12 0.04 0.00 0.00 0.00 0.00 23.12 22.93 2kum s ALA 42 CO 0.01 -0.31 0.44 -0.06 0.00 0.00 0.00 175.76 175.84 2kum s PHE 43 N -1.00 3.18 -0.13 0.00 0.40 0.14 0.38 117.98 120.95 2kum s PHE 43 Ca -0.10 -0.61 -0.04 0.00 -0.60 0.00 0.00 56.93 55.57 2kum s PHE 43 Cb -0.03 -3.07 -0.03 0.00 0.51 0.00 0.00 43.02 40.40 2kum s PHE 43 CO 0.06 -0.78 0.01 0.08 0.70 0.00 0.00 175.22 175.29 2kum s VAL 44 N 2.01 4.38 -0.26 -0.44 1.01 0.12 -1.97 120.40 125.26 2kum s VAL 44 Ca 0.09 -0.20 -0.08 0.00 0.00 0.00 0.00 61.98 61.79 2kum s VAL 44 Cb -0.20 -2.90 -0.03 0.00 0.00 0.00 0.00 36.38 33.25 2kum s VAL 44 CO 0.11 0.54 0.08 -0.76 0.00 0.00 0.00 175.10 175.07 2kum s LEU 45 N -0.23 3.53 -0.41 3.92 1.43 0.16 -0.80 118.68 126.27 2kum s LEU 45 Ca 0.06 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.83 2kum s LEU 45 Cb -0.12 -1.94 0.06 0.00 0.03 0.00 0.00 46.19 44.21 2kum s LEU 45 CO 0.02 -0.05 0.27 -2.28 0.23 0.00 0.00 176.35 174.54 2kum s HIS 46 N 1.62 3.28 0.62 0.29 2.46 0.83 -1.09 115.29 123.31 2kum s HIS 46 Ca 0.06 -1.15 -0.05 0.00 0.47 0.00 0.00 55.06 54.39 2kum s HIS 46 Cb -0.15 -2.79 0.03 0.00 -0.13 0.00 0.00 32.58 29.54 2kum s HIS 46 CO 0.04 -0.75 0.91 -0.51 -2.47 0.00 0.00 174.74 171.96 2kum s LEU 47 N 1.53 3.09 0.54 8.88 1.02 0.12 -0.74 118.68 133.11 2kum s LEU 47 Ca 0.03 0.46 0.25 0.00 0.02 0.00 0.00 54.13 54.89 2kum s LEU 47 Cb -0.22 -3.23 1.50 0.00 0.02 0.00 0.00 46.19 44.27 2kum s LEU 47 CO 0.05 -1.27 2.14 0.00 0.02 0.00 0.00 176.35 177.29 2kum h ALA 48 N -0.27 1.52 0.00 4.21 0.00 -1.70 -3.01 119.26 120.01 2kum h ALA 48 Ca -0.44 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.40 2kum h ALA 48 Cb 1.29 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.07 2kum h ALA 48 CO 0.59 0.09 0.00 0.00 0.00 0.00 0.00 179.25 179.93 2kum n GLN 49 N -3.93 0.75 -4.09 0.00 -0.00 -1.26 -5.09 117.38 103.76 2kum n GLN 49 Ca -0.03 -0.75 -0.11 0.00 -0.00 0.00 0.00 57.00 56.12 2kum n GLN 49 Cb 0.16 -0.63 -0.07 0.00 -0.00 0.00 0.00 30.24 29.70 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 -0.25 1.40 -0.19 2.61 0.52 -1.14 -5.16 118.95 116.75 2kum s ARG 50 Ca 0.00 -1.43 -0.08 0.00 -0.52 0.00 0.00 55.73 53.70 2kum s ARG 50 Cb 0.00 0.38 0.08 0.00 0.52 0.00 0.00 34.95 35.93 2kum s ARG 50 CO 0.00 -0.54 0.41 -1.12 0.02 0.00 0.00 175.30 174.08 2kum s SER 51 N -3.09 -0.31 -0.11 0.23 0.01 -1.26 0.12 113.70 109.30 2kum s SER 51 Ca 0.30 0.96 0.03 0.00 1.31 0.00 0.00 55.95 58.54 2kum s SER 51 Cb 0.03 1.18 -0.01 0.00 0.21 0.00 0.00 66.02 67.43 2kum s SER 51 CO 0.11 -0.22 -0.20 -0.63 0.41 0.00 0.00 173.24 172.71 2kum s ILE 52 N 2.27 2.46 -0.25 1.44 1.09 -0.25 -4.90 121.20 123.06 2kum s ILE 52 Ca -0.04 -0.88 -0.09 0.00 -1.10 0.00 0.00 60.65 58.54 2kum s ILE 52 Cb -0.11 -1.98 -0.04 0.00 -1.06 0.00 0.00 42.46 39.27 2kum s ILE 52 CO -0.13 0.55 0.13 0.00 -0.10 0.00 0.00 174.94 175.39 2kum s ILE 54 N 1.49 1.91 0.49 0.00 1.01 -0.83 -1.51 121.20 123.76 2kum s ILE 54 Ca 0.06 -1.00 -0.19 0.00 0.00 0.00 0.00 60.65 59.52 2kum s ILE 54 Cb -0.15 -1.61 -0.08 0.00 0.01 0.00 0.00 42.46 40.63 2kum s ILE 54 CO 0.06 0.54 1.01 -1.38 0.00 0.00 0.00 174.94 175.17 2kum s HIS 55 N -0.28 3.13 0.71 3.97 -3.43 -1.26 0.24 115.29 118.37 2kum s HIS 55 Ca 0.01 1.56 -0.16 0.00 -0.80 0.00 0.00 55.06 55.67 2kum s HIS 55 Cb -0.12 -2.97 0.01 0.00 -1.43 0.00 0.00 32.58 28.07 2kum s HIS 55 CO 0.02 -0.63 1.08 -2.30 -2.00 0.00 0.00 174.74 170.90 2kum n PRO 56 N -1.09 0.61 -2.67 -0.38 -0.02 -1.26 -4.05 135.00 126.14 2kum n PRO 56 Ca 0.08 0.27 -0.00 0.00 -2.02 0.00 0.00 63.50 61.83 2kum n PRO 56 Cb 0.53 -2.32 0.00 0.00 -0.02 0.00 0.00 33.50 31.69 2kum n PRO 56 CO 0.00 0.00 0.00 0.94 1.98 0.00 0.00 175.50 178.42 2kum n GLN 57 N -2.04 -1.02 -3.85 -0.52 7.27 -1.26 -5.05 117.38 110.90 2kum n GLN 57 Ca 0.14 1.27 -0.15 0.00 0.07 0.00 0.00 57.00 58.33 2kum n GLN 57 Cb 0.49 -4.73 -0.15 0.00 2.41 0.00 0.00 30.24 28.26 2kum n GLN 57 CO 0.00 0.00 0.00 1.21 0.07 0.00 0.00 177.06 178.34 2kum s ASN 58 N -2.74 0.16 0.19 1.69 3.84 -1.26 -5.06 114.94 111.76 2kum s ASN 58 Ca 0.01 0.01 -0.18 0.00 0.21 0.00 0.00 52.86 52.90 2kum s ASN 58 Cb -0.00 -0.09 0.14 0.00 -0.55 0.00 0.00 41.25 40.76 2kum s ASN 58 CO 0.57 -0.08 1.61 1.55 -2.79 0.00 0.00 177.10 177.96 2kum h PRO 59 N 6.94 -0.11 -0.77 0.43 0.13 -1.97 -0.22 132.00 136.42 2kum h PRO 59 Ca -0.39 0.01 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 2kum h PRO 59 Cb 1.15 0.03 -0.03 0.00 0.13 0.00 0.00 31.00 32.27 2kum h PRO 59 CO 0.49 -0.07 0.32 1.03 -0.23 0.00 0.00 178.00 179.54 2kum h SER 60 N -0.12 1.04 -0.21 1.44 0.87 -1.95 0.27 113.55 114.91 2kum h SER 60 Ca 0.24 -0.15 -0.03 0.00 -1.23 0.00 0.00 61.79 60.61 2kum h SER 60 Cb 0.49 -0.27 -0.01 0.00 -0.44 0.00 0.00 62.40 62.17 2kum h SER 60 CO -0.59 0.91 0.00 0.25 -0.53 0.00 0.00 176.83 176.88 2kum h LEU 61 N 1.11 0.35 -0.42 2.23 7.12 -1.75 0.47 115.31 124.44 2kum h LEU 61 Ca 0.26 -0.31 -0.02 0.00 0.13 0.00 0.00 57.88 57.95 2kum h LEU 61 Cb 0.19 -0.10 -0.02 0.00 -0.53 0.00 0.00 40.66 40.20 2kum h LEU 61 CO -0.02 0.58 0.20 0.28 -0.13 0.00 0.00 178.44 179.34 2kum h SER 62 N 0.12 0.55 -0.97 1.25 0.02 -0.67 -1.79 113.55 112.07 2kum h SER 62 Ca 0.06 -0.13 0.07 0.00 -0.84 0.00 0.00 61.79 60.95 2kum h SER 62 Cb 0.39 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.72 2kum h SER 62 CO 0.01 0.53 0.63 1.56 -1.14 0.00 0.00 176.83 178.42 2kum h GLN 63 N 0.53 1.08 -0.07 3.45 4.20 -0.35 -1.58 115.11 122.37 2kum h GLN 63 Ca 0.14 -0.06 -0.09 0.00 0.06 0.00 0.00 58.65 58.70 2kum h GLN 63 Cb 0.13 -0.24 -0.01 0.00 0.30 0.00 0.00 27.48 27.66 2kum h GLN 63 CO -0.02 0.71 -0.37 2.35 -0.67 0.00 0.00 178.83 180.83 2kum h TRP 64 N 1.11 0.16 -0.06 2.96 -0.00 -0.29 0.16 115.95 119.99 2kum h TRP 64 Ca 0.43 -0.04 0.04 0.00 -0.00 0.00 0.00 58.89 59.32 2kum h TRP 64 Cb 0.22 -0.04 -0.05 0.00 -0.00 0.00 0.00 29.16 29.29 2kum h TRP 64 CO -0.00 0.50 -0.28 0.74 -0.00 0.00 0.00 178.44 179.40 2kum h PHE 65 N 0.12 -0.76 -0.04 2.65 0.04 -0.45 0.65 116.94 119.15 2kum h PHE 65 Ca 0.01 0.03 -0.20 0.00 2.80 0.00 0.00 57.97 60.61 2kum h PHE 65 Cb 0.72 0.34 -0.00 0.00 2.20 0.00 0.00 35.95 39.21 2kum h PHE 65 CO 0.01 -0.37 -0.84 0.93 -0.60 0.00 0.00 178.31 177.44 2kum h GLU 66 N -0.39 0.40 -0.40 1.51 5.08 -1.46 -3.11 114.58 116.21 2kum h GLU 66 Ca 0.08 -0.38 -0.11 0.00 -1.00 0.00 0.00 59.36 57.95 2kum h GLU 66 Cb 0.51 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.84 2kum h GLU 66 CO -0.28 1.04 -0.19 0.45 -1.00 0.00 0.00 179.01 179.02 2kum h HIS 67 N 0.25 0.96 -0.23 4.33 3.86 -0.34 -2.94 115.15 121.05 2kum h HIS 67 Ca -0.05 -0.24 -0.06 0.00 -1.16 0.00 0.00 60.37 58.86 2kum h HIS 67 Cb 1.45 -0.22 -0.01 0.00 1.06 0.00 0.00 27.41 29.68 2kum h HIS 67 CO 0.05 1.00 -0.10 -0.56 0.86 0.00 0.00 177.93 179.18 2kum h GLN 68 N 0.65 0.37 0.00 2.45 3.07 0.24 -0.79 115.11 121.09 2kum h GLN 68 Ca 0.09 -0.09 -0.04 0.00 0.09 0.00 0.00 58.65 58.70 2kum h GLN 68 Cb 0.75 -0.05 -0.01 0.00 0.08 0.00 0.00 27.48 28.26 2kum h GLN 68 CO 0.06 0.48 -0.18 1.49 0.09 0.00 0.00 178.83 180.77 2kum h GLU 69 N 0.35 0.00 -0.24 0.06 4.81 -1.44 -2.50 114.58 115.62 2kum h GLU 69 Ca 0.07 0.00 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 2kum h GLU 69 Cb 0.40 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.73 2kum h GLU 69 CO 0.02 0.18 -0.09 2.89 -0.73 0.00 0.00 179.01 181.28 2kum n ARG 70 N -4.17 2.02 -2.03 1.92 1.85 -0.59 -4.75 116.66 110.92 2kum n ARG 70 Ca -0.02 -3.02 -0.02 0.00 -1.00 0.00 0.00 57.85 53.78 2kum n ARG 70 Cb 0.25 -1.76 -0.01 0.00 -1.05 0.00 0.00 32.46 29.90 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 -1.00 0.08 0.00 2.89 4.81 -0.41 -5.00 118.16 119.53 2kum n LYS 71 Ca 0.26 -0.40 0.00 0.00 -0.87 0.00 0.00 58.31 57.30 2kum n LYS 71 Cb 0.90 0.37 0.00 0.00 0.02 0.00 0.00 35.03 36.32 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 0.00 3.14 4.32 -1.26 -3.04 117.00 120.16 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 0.08 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.88 2kum n LEU 72 CO 0.04 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 177.78 2kum n HIS 73 N 0.00 0.00 0.00 -1.77 -0.00 -1.26 -4.99 115.22 107.20 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 2kum n HIS 73 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 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 -0.02 1.48 3.51 1.57 0.00 -1.17 -5.01 105.19 105.55 2kum n GLY 74 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -2.40 4.18 0.11 2.61 -4.23 -1.26 -4.94 115.64 109.70 2kum s THR 75 Ca 0.00 -0.72 -0.06 0.00 -1.18 0.00 0.00 61.69 59.74 2kum s THR 75 Cb 0.00 -4.89 -0.02 0.00 1.34 0.00 0.00 72.50 68.93 2kum s THR 75 CO 0.00 -1.72 0.14 -0.76 -0.54 0.00 0.00 174.62 171.74 2kum s LEU 76 N 4.31 1.60 -0.17 4.79 1.43 -1.26 -4.99 118.68 124.39 2kum s LEU 76 Ca 0.36 -0.89 -0.41 0.00 -1.03 0.00 0.00 54.13 52.17 2kum s LEU 76 Cb -0.06 0.76 -0.18 0.00 0.03 0.00 0.00 46.19 46.74 2kum s LEU 76 CO -0.02 -0.74 1.44 -2.65 0.23 0.00 0.00 176.35 174.61 2kum n PRO 77 N -0.07 0.60 -1.27 1.29 -0.02 -1.26 -4.83 135.00 129.45 2kum n PRO 77 Ca -0.11 0.22 -0.20 0.00 -2.02 0.00 0.00 63.50 61.39 2kum n PRO 77 Cb 0.62 -1.81 -0.11 0.00 -0.02 0.00 0.00 33.50 32.19 2kum n PRO 77 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 2kum n LYS 78 N 3.38 2.26 -0.77 -0.52 5.02 -1.26 -4.48 118.16 121.79 2kum n LYS 78 Ca 0.24 -1.74 -0.15 0.00 -2.02 0.00 0.00 58.31 54.64 2kum n LYS 78 Cb 0.09 -2.09 0.08 0.00 -0.02 0.00 0.00 35.03 33.08 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 -0.52 0.00 0.00 177.40 178.35 2kum n LEU 79 N 1.66 5.62 -0.14 -0.35 -0.00 -1.26 -4.69 117.00 117.85 2kum n LEU 79 Ca 0.47 -2.93 -0.02 0.00 -0.00 0.00 0.00 56.01 53.53 2kum n LEU 79 Cb 0.71 -0.82 -0.01 0.00 -0.00 0.00 0.00 43.42 43.30 2kum n LEU 79 CO 0.24 0.97 -0.02 -3.20 -0.00 0.00 0.00 177.39 175.39 2kum n ASN 80 N -0.16 -4.12 -3.00 1.45 2.85 -1.26 -2.80 115.26 108.22 2kum n ASN 80 Ca 0.33 0.04 -0.17 0.00 -0.11 0.00 0.00 54.58 54.67 2kum n ASN 80 Cb 0.92 -1.78 -0.01 0.00 1.24 0.00 0.00 39.78 40.16 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -2.11 0.00 0.00 177.26 175.64 2kum n PHE 81 N -2.65 -1.68 0.00 1.20 3.72 -1.26 -3.35 117.46 113.44 2kum n PHE 81 Ca -0.02 0.26 0.00 0.00 -0.05 0.00 0.00 57.45 57.64 2kum n PHE 81 Cb 0.21 -2.48 0.00 0.00 -0.94 0.00 0.00 39.48 36.27 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 -0.93 0.70 5.00 1.37 0.00 -1.18 -4.67 105.19 105.48 2kum n GLY 82 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.98 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 0.00 0.00 -0.13 1.61 2.81 -1.12 -4.06 117.12 116.22 2kum n MET 83 Ca 0.00 0.00 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 2kum n MET 83 Cb 0.00 0.00 0.18 0.00 -0.71 0.00 0.00 33.22 32.69 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 3.30 -4.60 4.03 -0.00 -1.26 -4.64 117.00 113.83 2kum n LEU 84 Ca 0.00 -1.36 -0.43 0.00 -0.00 0.00 0.00 56.01 54.22 2kum n LEU 84 Cb 0.00 -0.17 -0.02 0.00 -0.00 0.00 0.00 43.42 43.22 2kum n LEU 84 CO 0.00 0.67 1.41 0.00 -0.00 0.00 0.00 177.39 179.47 2kum s ARG 85 N -1.61 3.48 0.00 1.47 1.70 -1.26 -1.04 118.95 121.69 2kum s ARG 85 Ca 0.35 1.28 0.00 0.00 -0.47 0.00 0.00 55.73 56.89 2kum s ARG 85 Cb 0.22 -4.12 0.00 0.00 -0.57 0.00 0.00 34.95 30.48 2kum s ARG 85 CO 0.31 -1.69 0.00 1.63 -1.08 0.00 0.00 175.30 174.47 2kum n LYS 86 N 8.22 -0.84 -0.09 3.89 4.76 -1.26 -4.81 118.16 128.02 2kum n LYS 86 Ca 0.20 0.21 -0.10 0.00 -2.87 0.00 0.00 58.31 55.75 2kum n LYS 86 Cb 0.47 -3.89 -0.16 0.00 -1.84 0.00 0.00 35.03 29.61 2kum n LYS 86 CO 0.00 0.00 0.00 -0.12 -1.37 0.00 0.00 177.40 175.91 2kum n MET 87 N -1.21 0.68 0.00 1.97 1.56 -0.20 -5.22 117.12 114.70 2kum n MET 87 Ca 0.00 0.02 0.00 0.00 -0.27 0.00 0.00 57.70 57.45 2kum n MET 87 Cb 0.21 -1.54 0.00 0.00 2.15 0.00 0.00 33.22 34.04 2kum n MET 87 CO 0.00 0.00 0.00 0.41 -0.73 0.00 0.00 175.97 175.65