#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 4.29 -0.42 5.98 2.34 -1.26 -5.01 118.68 124.60 2kum s LEU 2 Ca 0.00 2.16 -0.18 0.00 0.06 0.00 0.00 54.13 56.16 2kum s LEU 2 Cb 0.00 -3.97 0.02 0.00 -0.56 0.00 0.00 46.19 41.68 2kum s LEU 2 CO 0.00 -0.40 0.51 -0.76 -1.06 0.00 0.00 176.35 174.64 2kum s LEU 3 N -2.22 4.70 0.57 1.48 2.01 -1.26 -5.05 118.68 118.91 2kum s LEU 3 Ca 0.53 -0.51 -0.20 0.00 0.01 0.00 0.00 54.13 53.96 2kum s LEU 3 Cb -0.27 -2.51 -0.05 0.00 0.01 0.00 0.00 46.19 43.37 2kum s LEU 3 CO 0.34 -0.64 1.18 -2.65 1.01 0.00 0.00 176.35 175.58 2kum n PRO 4 N 5.83 1.30 -1.60 1.29 -0.02 -1.26 -4.65 135.00 135.89 2kum n PRO 4 Ca -0.05 0.49 -0.48 0.00 -2.02 0.00 0.00 63.50 61.43 2kum n PRO 4 Cb 0.48 -2.37 -0.05 0.00 -0.02 0.00 0.00 33.50 31.53 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 -1.00 1.78 -2.62 0.52 -0.02 -1.26 -0.20 135.00 132.19 2kum n PRO 5 Ca 0.12 0.59 -0.20 0.00 -2.02 0.00 0.00 63.50 61.99 2kum n PRO 5 Cb 0.45 -2.69 0.01 0.00 -0.02 0.00 0.00 33.50 31.26 2kum n PRO 5 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 2kum n SER 6 N 8.52 -5.63 -1.97 2.55 2.88 -1.26 -4.84 113.62 113.87 2kum n SER 6 Ca 0.30 -0.12 -0.01 0.00 -1.33 0.00 0.00 58.87 57.71 2kum n SER 6 Cb 0.30 -4.58 0.05 0.00 -0.75 0.00 0.00 64.21 59.23 2kum n SER 6 CO 0.00 0.00 0.00 0.41 -1.23 0.00 0.00 175.04 174.22 2kum n THR 7 N -4.19 1.05 -2.87 2.46 -1.04 0.72 -5.03 114.28 105.37 2kum n THR 7 Ca -0.17 -2.38 -0.43 0.00 -2.04 0.00 0.00 64.05 59.02 2kum n THR 7 Cb 0.65 0.72 -0.02 0.00 -1.82 0.00 0.00 70.33 69.85 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 -2.27 3.32 -1.00 2.41 0.00 -1.22 -4.27 121.76 118.74 2kum s ALA 8 Ca 0.34 -2.75 -0.07 0.00 0.00 0.00 0.00 51.96 49.48 2kum s ALA 8 Cb 0.36 -4.13 0.25 0.00 0.00 0.00 0.00 23.12 19.60 2kum s ALA 8 CO -0.08 -3.06 0.94 0.00 0.00 0.00 0.00 175.76 173.56 2kum n THR 11 N 5.75 0.15 -4.24 0.00 -2.24 -1.26 -4.88 114.28 107.56 2kum n THR 11 Ca 0.12 -0.44 -0.17 0.00 -2.27 0.00 0.00 64.05 61.29 2kum n THR 11 Cb 0.47 0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 69.41 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 -1.85 0.72 0.01 -0.78 1.03 -1.26 -5.16 119.66 112.37 2kum s GLN 12 Ca 0.34 -0.63 0.08 0.00 0.04 0.00 0.00 55.36 55.19 2kum s GLN 12 Cb 0.20 -0.65 -0.02 0.00 0.03 0.00 0.00 33.01 32.57 2kum s GLN 12 CO 0.30 0.16 -0.24 -0.51 -2.54 0.00 0.00 175.29 172.47 2kum s LEU 13 N -1.03 2.10 0.08 2.60 1.43 -1.26 -4.76 118.68 117.84 2kum s LEU 13 Ca -0.01 -0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 52.46 2kum s LEU 13 Cb -0.07 -1.17 -0.21 0.00 0.03 0.00 0.00 46.19 44.77 2kum s LEU 13 CO 0.01 0.25 1.22 0.22 0.23 0.00 0.00 176.35 178.28 2kum h TYR 14 N 5.22 1.02 -1.65 0.29 3.20 -1.34 -3.47 116.97 120.24 2kum h TYR 14 Ca -0.43 -0.52 -0.41 0.00 3.14 0.00 0.00 58.73 60.51 2kum h TYR 14 Cb 1.14 -0.13 -0.11 0.00 1.54 0.00 0.00 36.73 39.17 2kum h TYR 14 CO 0.44 1.35 -0.43 0.54 -1.64 0.00 0.00 178.16 178.42 2kum n ARG 15 N -3.92 -1.49 -4.02 1.82 5.12 -1.26 -4.96 116.66 107.95 2kum n ARG 15 Ca -0.10 1.13 -0.17 0.00 -1.93 0.00 0.00 57.85 56.79 2kum n ARG 15 Cb 0.82 -5.59 -0.16 0.00 -1.16 0.00 0.00 32.46 26.37 2kum n ARG 15 CO 0.00 0.00 0.00 0.21 -1.93 0.00 0.00 177.63 175.91 2kum s LYS 16 N -4.18 0.39 0.19 5.56 2.20 -1.26 -5.10 119.74 117.54 2kum s LYS 16 Ca 0.00 -0.03 -0.32 0.00 -0.36 0.00 0.00 55.97 55.26 2kum s LYS 16 Cb 0.00 -0.48 -0.11 0.00 -1.51 0.00 0.00 37.83 35.73 2kum s LYS 16 CO 0.00 -0.05 1.65 -2.14 -0.36 0.00 0.00 175.35 174.45 2kum s PRO 17 N 0.61 4.17 0.56 4.03 0.02 -1.26 -4.94 135.00 138.18 2kum s PRO 17 Ca -0.06 2.49 -0.08 0.00 0.02 0.00 0.00 61.00 63.37 2kum s PRO 17 Cb -0.10 -3.11 -0.03 0.00 0.02 0.00 0.00 34.50 31.28 2kum s PRO 17 CO -0.01 -0.68 0.90 -0.51 -0.33 0.00 0.00 177.00 176.37 2kum s LEU 18 N 1.16 3.40 0.21 -5.54 1.43 -1.26 -5.03 118.68 113.04 2kum s LEU 18 Ca 0.72 1.07 -0.30 0.00 -1.03 0.00 0.00 54.13 54.59 2kum s LEU 18 Cb -0.47 -4.03 -0.09 0.00 0.03 0.00 0.00 46.19 41.64 2kum s LEU 18 CO 0.32 -0.79 1.28 -0.44 0.23 0.00 0.00 176.35 176.95 2kum s SER 19 N -4.17 6.93 0.45 2.29 0.01 -1.26 -4.92 113.70 113.03 2kum s SER 19 Ca 0.51 2.39 0.10 0.00 1.31 0.00 0.00 55.95 60.27 2kum s SER 19 Cb -0.11 -2.61 1.00 0.00 0.21 0.00 0.00 66.02 64.51 2kum s SER 19 CO 0.48 -0.49 2.08 -0.78 0.41 0.00 0.00 173.24 174.95 2kum h ASP 20 N 5.12 0.29 -0.46 2.44 3.58 -1.98 -0.02 116.42 125.40 2kum h ASP 20 Ca -0.45 -0.01 0.02 0.00 0.42 0.00 0.00 57.03 57.01 2kum h ASP 20 Cb 1.22 -0.07 -0.03 0.00 1.72 0.00 0.00 39.33 42.16 2kum h ASP 20 CO 0.75 0.23 0.28 0.11 -2.88 0.00 0.00 179.24 177.73 2kum h LYS 21 N 0.34 0.55 0.00 0.28 1.79 -2.00 -0.94 116.57 116.59 2kum h LYS 21 Ca 0.09 -0.03 -0.10 0.00 -2.18 0.00 0.00 60.65 58.43 2kum h LYS 21 Cb -0.01 -0.12 -0.01 0.00 -1.58 0.00 0.00 32.23 30.50 2kum h LYS 21 CO -0.02 0.36 -0.49 1.37 -1.08 0.00 0.00 179.45 179.60 2kum h LEU 22 N 0.56 0.00 -0.33 2.94 8.10 -1.73 -3.26 115.31 121.59 2kum h LEU 22 Ca 0.18 0.00 -0.01 0.00 0.11 0.00 0.00 57.88 58.16 2kum h LEU 22 Cb -0.01 0.00 -0.01 0.00 -0.44 0.00 0.00 40.66 40.20 2kum h LEU 22 CO -0.07 0.49 0.15 -0.07 -4.11 0.00 0.00 178.44 174.82 2kum h LEU 23 N 0.00 0.44 0.00 0.17 3.38 -0.13 -2.02 115.31 117.15 2kum h LEU 23 Ca -0.00 -0.14 0.00 0.00 0.09 0.00 0.00 57.88 57.83 2kum h LEU 23 Cb 1.12 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.76 2kum h LEU 23 CO 0.06 0.45 0.00 -2.11 0.09 0.00 0.00 178.44 176.94 2kum n ARG 24 N -4.74 0.13 -0.01 1.13 1.85 -0.44 0.08 116.66 114.67 2kum n ARG 24 Ca -0.01 0.00 0.09 0.00 -1.00 0.00 0.00 57.85 56.93 2kum n ARG 24 Cb 0.12 -1.36 -0.14 0.00 -1.05 0.00 0.00 32.46 30.03 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 -0.86 0.65 -2.05 2.89 5.02 -0.76 -4.45 118.16 118.61 2kum n LYS 25 Ca 0.02 -0.13 -0.39 0.00 -2.02 0.00 0.00 58.31 55.79 2kum n LYS 25 Cb 0.01 -1.43 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 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 -3.18 3.40 0.02 -0.18 1.01 0.11 -4.39 120.40 117.20 2kum s VAL 26 Ca -0.03 0.29 0.16 0.00 0.00 0.00 0.00 61.98 62.39 2kum s VAL 26 Cb 0.13 -3.90 0.06 0.00 0.00 0.00 0.00 36.38 32.67 2kum s VAL 26 CO 0.79 -0.82 1.55 0.16 0.00 0.00 0.00 175.10 176.79 2kum h ILE 27 N 6.85 0.97 -3.63 2.22 3.07 -1.68 -3.46 117.51 121.85 2kum h ILE 27 Ca -0.27 -2.05 -0.11 0.00 1.55 0.00 0.00 64.86 63.98 2kum h ILE 27 Cb 1.16 2.25 -0.17 0.00 -0.27 0.00 0.00 36.82 39.79 2kum h ILE 27 CO 1.18 0.49 -0.42 -1.10 -1.05 0.00 0.00 178.15 177.26 2kum s GLN 28 N -3.22 0.69 -0.22 0.16 -1.52 -0.68 -5.05 119.66 109.82 2kum s GLN 28 Ca 0.02 -0.69 0.02 0.00 -1.95 0.00 0.00 55.36 52.76 2kum s GLN 28 Cb 0.09 0.28 0.04 0.00 -0.22 0.00 0.00 33.01 33.20 2kum s GLN 28 CO 0.73 -0.20 -0.16 0.08 -0.25 0.00 0.00 175.29 175.50 2kum s VAL 29 N -2.70 2.09 -0.33 1.09 1.01 -1.26 -0.13 120.40 120.17 2kum s VAL 29 Ca -0.04 -1.25 -0.09 0.00 0.00 0.00 0.00 61.98 60.60 2kum s VAL 29 Cb -0.00 -2.04 0.01 0.00 0.00 0.00 0.00 36.38 34.35 2kum s VAL 29 CO -0.05 0.28 0.15 -1.83 0.00 0.00 0.00 175.10 173.65 2kum s GLU 30 N 1.21 3.13 -0.48 2.72 -1.05 0.44 -4.96 118.70 119.71 2kum s GLU 30 Ca -0.01 -0.86 -0.29 0.00 -0.15 0.00 0.00 54.97 53.66 2kum s GLU 30 Cb -0.16 -3.57 0.03 0.00 -0.44 0.00 0.00 34.13 29.99 2kum s GLU 30 CO -0.09 -0.51 1.13 -1.17 0.95 0.00 0.00 175.26 175.57 2kum s LEU 31 N 1.57 3.64 -0.54 1.83 2.96 -1.26 -1.60 118.68 125.27 2kum s LEU 31 Ca 0.03 0.43 -0.27 0.00 -0.22 0.00 0.00 54.13 54.10 2kum s LEU 31 Cb -0.18 -3.52 -0.01 0.00 0.50 0.00 0.00 46.19 42.99 2kum s LEU 31 CO 0.06 -1.26 1.67 -1.58 -1.32 0.00 0.00 176.35 173.91 2kum s GLN 32 N 4.46 3.03 0.54 1.98 0.74 0.65 -4.86 119.66 126.21 2kum s GLN 32 Ca 0.47 0.70 -0.18 0.00 0.05 0.00 0.00 55.36 56.40 2kum s GLN 32 Cb -0.07 -4.25 -0.06 0.00 1.10 0.00 0.00 33.01 29.73 2kum s GLN 32 CO 0.31 -2.25 1.05 -1.21 -0.55 0.00 0.00 175.29 172.65 2kum s GLU 33 N 6.16 3.56 0.00 1.67 2.02 -1.26 -1.47 118.70 129.38 2kum s GLU 33 Ca 0.63 1.31 0.07 0.00 0.02 0.00 0.00 54.97 57.01 2kum s GLU 33 Cb -0.14 -2.06 0.45 0.00 0.10 0.00 0.00 34.13 32.48 2kum s GLU 33 CO 0.25 -0.63 1.03 0.00 0.02 0.00 0.00 175.26 175.94 2kum n ALA 34 N -1.45 2.24 0.00 5.21 0.00 -1.23 -3.30 120.51 121.98 2kum n ALA 34 Ca 0.09 -0.05 0.00 0.00 0.00 0.00 0.00 53.44 53.49 2kum n ALA 34 Cb 0.53 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.85 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 -0.67 0.00 0.23 0.00 5.68 -0.39 -3.56 116.55 117.84 2kum n ASP 35 Ca 0.06 0.00 -0.15 0.00 -0.50 0.00 0.00 54.79 54.20 2kum n ASP 35 Cb 0.03 0.00 -0.08 0.00 -1.14 0.00 0.00 41.12 39.92 2kum n ASP 35 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 2kum h GLY 36 N 0.00 -0.60 0.58 6.12 0.00 -1.95 -3.36 103.07 103.87 2kum h GLY 36 Ca 0.00 0.22 -0.36 0.00 0.00 0.00 0.00 47.33 47.19 2kum h GLY 36 CO 0.00 -0.22 -2.02 1.34 0.00 0.00 0.00 176.54 175.64 2kum n ASP 37 N -5.26 1.99 -3.61 0.19 -0.08 -1.24 -4.96 116.55 103.58 2kum n ASP 37 Ca -0.11 0.19 -0.02 0.00 -1.51 0.00 0.00 54.79 53.34 2kum n ASP 37 Cb 0.28 -0.74 -0.00 0.00 2.34 0.00 0.00 41.12 43.00 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 -0.56 4.32 -3.65 0.00 -0.00 -1.26 -1.26 115.22 112.81 2kum n HIS 39 Ca -0.05 -3.14 0.00 0.00 0.46 0.00 0.00 57.72 54.99 2kum n HIS 39 Cb 0.61 -2.18 -0.07 0.00 -0.12 0.00 0.00 29.99 28.23 2kum n HIS 39 CO 0.00 0.00 0.00 -1.17 0.46 0.00 0.00 176.34 175.63 2kum s LEU 40 N 1.38 -0.01 -0.22 0.27 1.98 -1.23 -4.96 118.68 115.88 2kum s LEU 40 Ca 0.43 0.02 -0.06 0.00 -2.89 0.00 0.00 54.13 51.62 2kum s LEU 40 Cb 0.02 1.02 -0.03 0.00 0.66 0.00 0.00 46.19 47.86 2kum s LEU 40 CO 0.01 -0.00 0.04 -1.58 -1.89 0.00 0.00 176.35 172.92 2kum s GLN 41 N 0.47 3.65 -0.01 1.98 0.74 -1.26 -3.54 119.66 121.69 2kum s GLN 41 Ca 0.01 -0.49 -0.20 0.00 0.05 0.00 0.00 55.36 54.73 2kum s GLN 41 Cb -0.04 -3.21 0.04 0.00 1.10 0.00 0.00 33.01 30.90 2kum s GLN 41 CO -0.13 -0.08 0.44 0.00 -0.55 0.00 0.00 175.29 174.97 2kum s ALA 42 N 1.29 -1.12 -0.45 1.58 0.00 -0.54 -4.65 121.76 117.86 2kum s ALA 42 Ca 0.04 0.60 -0.13 0.00 0.00 0.00 0.00 51.96 52.47 2kum s ALA 42 Cb -0.15 0.12 0.07 0.00 0.00 0.00 0.00 23.12 23.17 2kum s ALA 42 CO 0.02 -0.34 0.35 -0.06 0.00 0.00 0.00 175.76 175.73 2kum s PHE 43 N -1.57 3.28 -0.17 0.00 0.08 0.37 -0.25 117.98 119.71 2kum s PHE 43 Ca -0.11 -1.13 -0.07 0.00 0.12 0.00 0.00 56.93 55.74 2kum s PHE 43 Cb -0.03 -3.09 -0.04 0.00 -0.57 0.00 0.00 43.02 39.29 2kum s PHE 43 CO 0.04 -0.81 0.05 0.08 -0.10 0.00 0.00 175.22 174.48 2kum s VAL 44 N 1.57 4.70 -0.17 -0.44 1.01 -0.63 -2.37 120.40 124.07 2kum s VAL 44 Ca 0.04 -0.07 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 2kum s VAL 44 Cb -0.24 -3.10 -0.04 0.00 0.00 0.00 0.00 36.38 33.01 2kum s VAL 44 CO 0.05 0.48 0.50 -0.76 0.00 0.00 0.00 175.10 175.37 2kum s LEU 45 N 0.21 4.19 -0.36 3.92 1.43 -0.27 -0.42 118.68 127.38 2kum s LEU 45 Ca 0.04 0.71 -0.08 0.00 -1.03 0.00 0.00 54.13 53.77 2kum s LEU 45 Cb -0.12 -2.69 0.04 0.00 0.03 0.00 0.00 46.19 43.44 2kum s LEU 45 CO 0.01 -0.12 0.15 -2.28 0.23 0.00 0.00 176.35 174.34 2kum s HIS 46 N 1.28 3.26 0.38 0.29 2.46 0.81 -0.83 115.29 122.94 2kum s HIS 46 Ca 0.24 -1.30 0.05 0.00 0.47 0.00 0.00 55.06 54.53 2kum s HIS 46 Cb -0.15 -2.39 -0.00 0.00 -0.13 0.00 0.00 32.58 29.90 2kum s HIS 46 CO 0.10 -0.72 0.53 -0.51 -2.47 0.00 0.00 174.74 171.67 2kum s LEU 47 N 1.45 3.84 0.10 8.88 1.02 0.02 -1.68 118.68 132.31 2kum s LEU 47 Ca -0.00 -0.13 0.15 0.00 0.02 0.00 0.00 54.13 54.17 2kum s LEU 47 Cb -0.20 -2.81 0.67 0.00 0.02 0.00 0.00 46.19 43.87 2kum s LEU 47 CO 0.04 -0.56 1.48 0.00 0.02 0.00 0.00 176.35 177.33 2kum n ALA 48 N -1.78 1.50 -0.12 4.21 0.00 -1.26 -2.80 120.51 120.26 2kum n ALA 48 Ca 0.02 0.02 -0.24 0.00 0.00 0.00 0.00 53.44 53.24 2kum n ALA 48 Cb 0.58 -1.25 -0.09 0.00 0.00 0.00 0.00 19.45 18.69 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 -1.78 0.54 -3.82 0.00 3.00 -1.26 -5.10 117.38 108.97 2kum n GLN 49 Ca 0.02 0.20 -0.05 0.00 -0.01 0.00 0.00 57.00 57.16 2kum n GLN 49 Cb 0.15 -1.41 -0.00 0.00 0.00 0.00 0.00 30.24 28.98 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 -2.46 1.58 0.24 -1.09 1.04 -1.12 -5.14 118.95 112.01 2kum s ARG 50 Ca -0.34 -0.94 0.09 0.00 -1.04 0.00 0.00 55.73 53.51 2kum s ARG 50 Cb 0.12 0.50 -0.04 0.00 -2.04 0.00 0.00 34.95 33.49 2kum s ARG 50 CO 0.46 -0.73 -0.03 -1.12 -0.04 0.00 0.00 175.30 173.84 2kum s SER 51 N -3.04 4.46 0.01 -2.89 0.01 -1.26 -0.80 113.70 110.19 2kum s SER 51 Ca 0.14 -0.63 0.06 0.00 1.31 0.00 0.00 55.95 56.83 2kum s SER 51 Cb -0.04 -0.81 -0.02 0.00 0.21 0.00 0.00 66.02 65.37 2kum s SER 51 CO 0.06 0.03 -0.17 -0.63 0.41 0.00 0.00 173.24 172.94 2kum s ILE 52 N -2.17 1.38 -0.26 1.44 1.01 -0.01 -4.84 121.20 117.74 2kum s ILE 52 Ca 0.30 -0.89 -0.10 0.00 0.00 0.00 0.00 60.65 59.96 2kum s ILE 52 Cb -0.07 -1.18 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2kum s ILE 52 CO 0.19 0.27 0.16 0.00 0.00 0.00 0.00 174.94 175.56 2kum s ILE 54 N 1.56 1.32 0.19 0.00 1.01 -1.00 -0.77 121.20 123.51 2kum s ILE 54 Ca 0.07 -0.88 -0.31 0.00 0.00 0.00 0.00 60.65 59.52 2kum s ILE 54 Cb -0.15 -1.14 -0.11 0.00 0.01 0.00 0.00 42.46 41.07 2kum s ILE 54 CO 0.08 0.24 1.59 -2.28 0.00 0.00 0.00 174.94 174.57 2kum s HIS 55 N -0.59 3.00 0.18 3.97 5.65 -1.26 -0.48 115.29 125.76 2kum s HIS 55 Ca 0.05 0.61 -0.23 0.00 0.25 0.00 0.00 55.06 55.74 2kum s HIS 55 Cb -0.07 -3.98 0.09 0.00 -1.18 0.00 0.00 32.58 27.44 2kum s HIS 55 CO 0.00 -3.57 1.57 -1.35 -0.65 0.00 0.00 174.74 170.75 2kum h PRO 56 N 6.51 -0.17 -5.20 2.88 0.11 -1.87 -2.63 132.00 131.63 2kum h PRO 56 Ca -0.43 0.01 -0.71 0.00 0.11 0.00 0.00 66.00 64.98 2kum h PRO 56 Cb 1.21 0.04 -0.14 0.00 0.11 0.00 0.00 31.00 32.22 2kum h PRO 56 CO 0.90 -0.12 1.66 -0.65 -0.21 0.00 0.00 178.00 179.59 2kum s GLN 57 N -5.91 4.03 -0.02 1.05 -1.52 -1.26 -4.67 119.66 111.36 2kum s GLN 57 Ca -0.14 -2.31 0.01 0.00 -1.95 0.00 0.00 55.36 50.97 2kum s GLN 57 Cb 0.15 -5.24 0.01 0.00 -0.22 0.00 0.00 33.01 27.71 2kum s GLN 57 CO 0.68 -1.96 -0.04 1.21 -0.25 0.00 0.00 175.29 174.93 2kum s ASN 58 N 3.42 0.64 0.00 5.90 2.47 -0.99 -5.02 114.94 121.36 2kum s ASN 58 Ca 0.47 -0.08 0.00 0.00 0.42 0.00 0.00 52.86 53.66 2kum s ASN 58 Cb -0.00 -0.22 0.00 0.00 -1.45 0.00 0.00 41.25 39.58 2kum s ASN 58 CO 0.03 -0.01 0.76 -2.65 -3.72 0.00 0.00 177.10 171.51 2kum n PRO 59 N 3.57 0.00 0.01 0.43 -0.02 -1.26 -1.14 135.00 136.60 2kum n PRO 59 Ca -0.20 0.28 -0.21 0.00 -2.02 0.00 0.00 63.50 61.34 2kum n PRO 59 Cb 0.54 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.36 2kum n PRO 59 CO 0.00 0.00 0.00 0.66 1.98 0.00 0.00 175.50 178.14 2kum h SER 60 N 0.00 0.39 0.22 2.55 4.64 -1.94 -3.25 113.55 116.16 2kum h SER 60 Ca 0.00 -0.86 -0.29 0.00 -0.47 0.00 0.00 61.79 60.17 2kum h SER 60 Cb 0.05 -0.13 0.03 0.00 -0.31 0.00 0.00 62.40 62.05 2kum h SER 60 CO 0.00 1.61 -1.28 0.25 -0.87 0.00 0.00 176.83 176.54 2kum h LEU 61 N -0.30 0.73 -0.08 5.97 7.12 -1.45 -2.38 115.31 124.92 2kum h LEU 61 Ca -0.30 -0.93 -0.04 0.00 0.13 0.00 0.00 57.88 56.74 2kum h LEU 61 Cb 1.76 -0.24 -0.00 0.00 -0.53 0.00 0.00 40.66 41.65 2kum h LEU 61 CO 0.06 1.62 -0.12 0.28 -0.13 0.00 0.00 178.44 180.16 2kum h SER 62 N -0.02 0.25 -0.04 1.25 0.02 -1.67 -1.31 113.55 112.03 2kum h SER 62 Ca -0.22 -0.52 0.01 0.00 -0.84 0.00 0.00 61.79 60.22 2kum h SER 62 Cb 2.01 -0.07 -0.00 0.00 0.14 0.00 0.00 62.40 64.48 2kum h SER 62 CO 0.24 0.72 0.03 -0.61 -1.14 0.00 0.00 176.83 176.07 2kum h GLN 63 N -0.22 0.00 -0.61 3.45 4.15 -1.70 -0.76 115.11 119.42 2kum h GLN 63 Ca 0.01 0.00 -0.09 0.00 0.77 0.00 0.00 58.65 59.33 2kum h GLN 63 Cb 0.66 0.00 -0.02 0.00 0.21 0.00 0.00 27.48 28.33 2kum h GLN 63 CO 0.03 0.00 0.01 2.35 -1.93 0.00 0.00 178.83 179.29 2kum h TRP 64 N 0.00 1.17 -0.99 3.99 -0.00 -0.80 -0.62 115.95 118.69 2kum h TRP 64 Ca 0.02 -0.20 0.15 0.00 -0.00 0.00 0.00 58.89 58.86 2kum h TRP 64 Cb 0.09 -0.31 -0.09 0.00 -0.00 0.00 0.00 29.16 28.85 2kum h TRP 64 CO 0.00 1.02 0.62 0.74 -0.00 0.00 0.00 178.44 180.82 2kum h PHE 65 N 0.97 1.08 -0.00 2.65 -1.00 -0.03 0.89 116.94 121.50 2kum h PHE 65 Ca 0.18 0.03 -0.10 0.00 2.81 0.00 0.00 57.97 60.89 2kum h PHE 65 Cb 0.55 -0.33 0.01 0.00 3.61 0.00 0.00 35.95 39.78 2kum h PHE 65 CO 0.04 0.35 -0.38 0.93 -1.61 0.00 0.00 178.31 177.63 2kum h GLU 66 N 0.87 0.26 -0.60 1.51 5.08 -1.45 -2.96 114.58 117.28 2kum h GLU 66 Ca 0.53 -0.28 -0.05 0.00 -1.00 0.00 0.00 59.36 58.56 2kum h GLU 66 Cb 0.69 0.08 -0.03 0.00 0.50 0.00 0.00 28.75 30.00 2kum h GLU 66 CO -0.31 0.99 0.18 0.45 -1.00 0.00 0.00 179.01 179.32 2kum h HIS 67 N -0.36 0.98 0.00 4.33 3.86 -0.12 -2.36 115.15 121.49 2kum h HIS 67 Ca -0.05 -0.10 -0.06 0.00 -1.16 0.00 0.00 60.37 59.00 2kum h HIS 67 Cb 1.13 -0.28 -0.01 0.00 1.06 0.00 0.00 27.41 29.31 2kum h HIS 67 CO 0.17 0.82 -0.27 -0.56 0.86 0.00 0.00 177.93 178.95 2kum h GLN 68 N 0.87 0.00 -0.05 2.45 3.07 0.64 -1.29 115.11 120.80 2kum h GLN 68 Ca 0.19 0.00 -0.02 0.00 0.09 0.00 0.00 58.65 58.92 2kum h GLN 68 Cb 0.31 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 27.86 2kum h GLN 68 CO -0.00 0.27 -0.04 1.49 0.09 0.00 0.00 178.83 180.63 2kum h GLU 69 N 0.00 0.06 -0.22 0.06 4.57 -1.24 -2.35 114.58 115.46 2kum h GLU 69 Ca -0.00 -0.01 0.00 0.00 -1.18 0.00 0.00 59.36 58.17 2kum h GLU 69 Cb 0.76 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.34 2kum h GLU 69 CO 0.03 0.11 0.00 2.89 -1.18 0.00 0.00 179.01 180.87 2kum n ARG 70 N -4.45 2.70 0.00 1.92 1.85 -0.79 -4.54 116.66 113.34 2kum n ARG 70 Ca -0.02 -2.32 0.00 0.00 -1.00 0.00 0.00 57.85 54.51 2kum n ARG 70 Cb 0.15 -1.47 0.00 0.00 -1.05 0.00 0.00 32.46 30.09 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 -0.27 2.48 0.00 2.89 5.02 -0.55 -4.96 118.16 122.77 2kum n LYS 71 Ca 0.14 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.43 2kum n LYS 71 Cb 0.59 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.60 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 0.00 0.00 -0.35 4.32 -1.26 -1.93 117.00 117.78 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 0.00 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 41.80 2kum n LEU 72 CO 0.00 0.00 0.00 1.57 -1.22 0.00 0.00 177.39 177.74 2kum n HIS 73 N 0.00 0.00 -1.09 -1.77 -0.00 -1.26 -4.99 115.22 106.12 2kum n HIS 73 Ca 0.00 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.15 2kum n HIS 73 Cb 0.00 0.04 -0.01 0.00 -0.12 0.00 0.00 29.99 29.90 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 0.00 0.59 3.02 1.57 0.00 -0.81 -5.01 105.19 104.54 2kum n GLY 74 Ca 0.00 -0.35 -0.28 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.94 1.37 0.04 2.61 -4.23 -1.26 -5.08 115.64 107.14 2kum s THR 75 Ca 0.00 -0.55 -0.11 0.00 -1.18 0.00 0.00 61.69 59.85 2kum s THR 75 Cb 0.00 -1.28 0.01 0.00 1.34 0.00 0.00 72.50 72.57 2kum s THR 75 CO 0.00 0.42 0.22 -0.76 -0.54 0.00 0.00 174.62 173.96 2kum s LEU 76 N 1.16 1.23 0.41 4.79 1.43 -1.26 -5.09 118.68 121.35 2kum s LEU 76 Ca -0.04 -0.31 -0.23 0.00 -1.03 0.00 0.00 54.13 52.52 2kum s LEU 76 Cb -0.14 1.06 -0.12 0.00 0.03 0.00 0.00 46.19 47.01 2kum s LEU 76 CO -0.04 -0.56 0.68 -2.65 0.23 0.00 0.00 176.35 174.01 2kum n PRO 77 N 0.69 0.76 -2.08 1.29 -0.02 -1.26 -4.89 135.00 129.50 2kum n PRO 77 Ca -0.19 0.28 -0.40 0.00 -2.02 0.00 0.00 63.50 61.17 2kum n PRO 77 Cb 0.59 -1.63 -0.00 0.00 -0.02 0.00 0.00 33.50 32.44 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 0.49 4.66 -0.40 -0.52 4.76 -1.26 -4.75 118.16 121.13 2kum n LYS 78 Ca 0.11 -3.62 -0.06 0.00 -2.87 0.00 0.00 58.31 51.87 2kum n LYS 78 Cb 0.39 -2.59 0.04 0.00 -1.84 0.00 0.00 35.03 31.02 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 -1.37 0.00 0.00 177.40 177.50 2kum n LEU 79 N 1.40 4.44 -1.93 -0.35 -0.00 -1.26 -4.71 117.00 114.58 2kum n LEU 79 Ca 0.60 -2.23 -0.15 0.00 -0.00 0.00 0.00 56.01 54.22 2kum n LEU 79 Cb 0.26 -0.72 0.01 0.00 -0.00 0.00 0.00 43.42 42.97 2kum n LEU 79 CO 0.65 0.76 -0.11 0.59 -0.00 0.00 0.00 177.39 179.28 2kum n ASN 80 N 0.32 -4.67 0.33 1.45 5.03 -1.26 -4.87 115.26 111.59 2kum n ASN 80 Ca 0.15 -0.10 0.21 0.00 0.87 0.00 0.00 54.58 55.71 2kum n ASN 80 Cb 0.72 -3.69 1.12 0.00 -1.02 0.00 0.00 39.78 36.91 2kum n ASN 80 CO 0.00 0.00 0.00 2.19 -1.83 0.00 0.00 177.26 177.62 2kum h PHE 81 N -0.43 0.00 0.00 3.10 -5.15 -1.86 0.95 116.94 113.54 2kum h PHE 81 Ca -0.37 0.00 -0.01 0.00 -0.20 0.00 0.00 57.97 57.40 2kum h PHE 81 Cb 1.26 0.00 -0.00 0.00 0.22 0.00 0.00 35.95 37.43 2kum h PHE 81 CO 0.39 0.00 -0.04 0.78 -2.00 0.00 0.00 178.31 177.44 2kum h GLY 82 N 0.00 0.00 2.00 6.09 0.00 -1.96 -2.38 103.07 106.82 2kum h GLY 82 Ca 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.30 2kum h GLY 82 CO -0.00 0.00 -0.13 0.00 0.00 0.00 0.00 176.54 176.41 2kum h MET 83 N 0.00 0.00 0.02 4.80 -0.00 -1.18 -3.08 114.93 115.49 2kum h MET 83 Ca -0.00 0.00 -0.37 0.00 -0.00 0.00 0.00 59.70 59.33 2kum h MET 83 Cb 0.12 0.00 -0.06 0.00 -0.00 0.00 0.00 31.60 31.66 2kum h MET 83 CO 0.01 0.13 -2.28 -0.11 -0.00 0.00 0.00 176.91 174.66 2kum n LEU 84 N -3.86 1.86 -1.44 -0.10 7.94 -0.91 -4.29 117.00 116.19 2kum n LEU 84 Ca -0.02 0.03 -0.06 0.00 -1.11 0.00 0.00 56.01 54.85 2kum n LEU 84 Cb 0.23 -0.44 0.03 0.00 0.53 0.00 0.00 43.42 43.77 2kum n LEU 84 CO 0.32 0.74 0.86 -2.11 -1.11 0.00 0.00 177.39 176.09 2kum n ARG 85 N -3.14 1.29 -0.00 1.96 1.85 -1.14 -2.22 116.66 115.26 2kum n ARG 85 Ca -0.37 -0.63 0.08 0.00 -1.00 0.00 0.00 57.85 55.94 2kum n ARG 85 Cb 1.05 -1.25 -0.10 0.00 -1.05 0.00 0.00 32.46 31.12 2kum n ARG 85 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 2kum n LYS 86 N 0.57 1.36 -2.91 2.89 4.76 -1.24 -5.03 118.16 118.57 2kum n LYS 86 Ca 0.12 -0.04 -0.10 0.00 -2.87 0.00 0.00 58.31 55.43 2kum n LYS 86 Cb 0.64 -1.30 0.01 0.00 -1.84 0.00 0.00 35.03 32.54 2kum n LYS 86 CO 0.00 0.00 0.00 -1.33 -1.37 0.00 0.00 177.40 174.70 2kum n MET 87 N -1.56 -2.49 0.00 1.97 2.81 -0.94 -5.19 117.12 111.72 2kum n MET 87 Ca 0.02 2.14 0.00 0.00 -1.81 0.00 0.00 57.70 58.05 2kum n MET 87 Cb 0.30 -5.12 0.00 0.00 -0.71 0.00 0.00 33.22 27.69 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89