#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 4.37 -0.27 -2.13 0.05 -1.26 -4.95 118.68 114.48 2kum s LEU 2 Ca 0.00 2.67 -0.28 0.00 0.05 0.00 0.00 54.13 56.57 2kum s LEU 2 Cb 0.00 -3.72 0.01 0.00 -2.05 0.00 0.00 46.19 40.43 2kum s LEU 2 CO 0.00 -0.61 1.01 -0.76 -0.55 0.00 0.00 176.35 175.44 2kum s LEU 3 N -1.97 4.03 0.33 1.48 2.01 -1.26 -5.01 118.68 118.29 2kum s LEU 3 Ca 0.51 1.15 -0.29 0.00 0.01 0.00 0.00 54.13 55.51 2kum s LEU 3 Cb -0.39 -3.47 -0.11 0.00 0.01 0.00 0.00 46.19 42.24 2kum s LEU 3 CO 0.51 -0.73 1.43 -2.84 1.01 0.00 0.00 176.35 175.73 2kum s PRO 4 N 3.32 4.22 0.00 1.29 0.02 -1.26 -4.87 135.00 137.72 2kum s PRO 4 Ca 0.43 2.41 0.00 0.00 0.02 0.00 0.00 61.00 63.86 2kum s PRO 4 Cb -0.14 -3.03 0.00 0.00 0.02 0.00 0.00 34.50 31.35 2kum s PRO 4 CO 0.10 -0.42 0.42 -0.35 -0.33 0.00 0.00 177.00 176.42 2kum n PRO 5 N 1.13 0.63 -0.55 5.54 -0.04 -1.26 -1.66 135.00 138.79 2kum n PRO 5 Ca 0.03 0.00 -0.00 0.00 -0.04 0.00 0.00 63.50 63.48 2kum n PRO 5 Cb 0.40 -1.27 -0.00 0.00 -0.04 0.00 0.00 33.50 32.58 2kum n PRO 5 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 2kum n SER 6 N 0.35 -0.03 -3.27 3.54 7.64 -1.26 -4.99 113.62 115.60 2kum n SER 6 Ca 0.00 -1.34 -0.23 0.00 1.01 0.00 0.00 58.87 58.30 2kum n SER 6 Cb 0.21 -0.05 -0.08 0.00 -1.01 0.00 0.00 64.21 63.28 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 0.01 -0.97 -2.51 0.44 -1.04 -0.66 -5.06 114.28 104.49 2kum n THR 7 Ca -0.01 -3.16 -0.40 0.00 -2.04 0.00 0.00 64.05 58.44 2kum n THR 7 Cb 0.58 -1.29 -0.02 0.00 -1.82 0.00 0.00 70.33 67.77 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 -0.00 2.79 -0.45 2.41 0.00 -1.26 -4.52 121.76 120.72 2kum s ALA 8 Ca 0.33 -2.41 0.06 0.00 0.00 0.00 0.00 51.96 49.94 2kum s ALA 8 Cb 0.06 -4.58 0.21 0.00 0.00 0.00 0.00 23.12 18.81 2kum s ALA 8 CO -0.17 -3.67 0.59 0.00 0.00 0.00 0.00 175.76 172.50 2kum h THR 11 N 5.22 0.00 -4.21 0.00 1.35 -2.00 -3.46 112.91 109.81 2kum h THR 11 Ca -0.28 -0.43 -0.15 0.00 -0.55 0.00 0.00 66.41 65.00 2kum h THR 11 Cb 1.12 1.34 -0.14 0.00 -1.73 0.00 0.00 68.15 68.75 2kum h THR 11 CO 0.85 0.00 -0.52 0.00 -0.25 0.00 0.00 175.52 175.61 2kum s GLN 12 N -3.19 1.02 0.03 4.72 1.03 -1.26 -5.16 119.66 116.85 2kum s GLN 12 Ca 0.08 -1.33 0.05 0.00 0.04 0.00 0.00 55.36 54.20 2kum s GLN 12 Cb 0.11 0.30 -0.02 0.00 0.03 0.00 0.00 33.01 33.43 2kum s GLN 12 CO 0.54 -0.33 -0.14 -0.51 -2.54 0.00 0.00 175.29 172.31 2kum s LEU 13 N -3.02 2.15 0.16 2.60 1.43 -1.26 -4.71 118.68 116.03 2kum s LEU 13 Ca 0.21 -0.43 -0.06 0.00 -1.03 0.00 0.00 54.13 52.82 2kum s LEU 13 Cb 0.06 -0.63 0.03 0.00 0.03 0.00 0.00 46.19 45.67 2kum s LEU 13 CO 0.01 0.06 1.45 0.22 0.23 0.00 0.00 176.35 178.31 2kum h TYR 14 N 5.04 0.82 0.00 0.29 3.20 -1.15 -3.46 116.97 121.70 2kum h TYR 14 Ca -0.38 -0.31 0.00 0.00 3.14 0.00 0.00 58.73 61.18 2kum h TYR 14 Cb 1.18 -0.15 0.00 0.00 1.54 0.00 0.00 36.73 39.30 2kum h TYR 14 CO 0.51 1.08 0.00 -2.13 -1.64 0.00 0.00 178.16 175.98 2kum n ARG 15 N -3.95 0.00 -2.01 1.82 0.63 -1.26 -4.92 116.66 106.97 2kum n ARG 15 Ca -0.04 0.00 -0.34 0.00 -0.92 0.00 0.00 57.85 56.55 2kum n ARG 15 Cb 0.64 -0.10 0.02 0.00 0.45 0.00 0.00 32.46 33.48 2kum n ARG 15 CO 0.00 0.00 0.00 0.15 -2.51 0.00 0.00 177.63 175.27 2kum s LYS 16 N 0.00 3.08 0.42 -0.14 1.02 -1.26 -5.02 119.74 117.85 2kum s LYS 16 Ca 0.00 1.50 -0.25 0.00 0.02 0.00 0.00 55.97 57.25 2kum s LYS 16 Cb 0.00 -1.98 -0.08 0.00 -0.52 0.00 0.00 37.83 35.25 2kum s LYS 16 CO 0.00 -1.04 1.23 -1.25 -0.92 0.00 0.00 175.35 173.36 2kum s PRO 17 N -3.68 3.91 0.14 -1.68 0.04 -1.26 -5.01 135.00 127.46 2kum s PRO 17 Ca 0.70 1.97 -0.20 0.00 0.04 0.00 0.00 61.00 63.51 2kum s PRO 17 Cb -0.22 -2.63 -0.07 0.00 0.04 0.00 0.00 34.50 31.62 2kum s PRO 17 CO 0.34 -0.48 0.64 -0.51 0.04 0.00 0.00 177.00 177.03 2kum s LEU 18 N -2.64 4.46 0.46 -3.56 1.43 -1.26 -5.03 118.68 112.54 2kum s LEU 18 Ca 0.59 1.34 -0.24 0.00 -1.03 0.00 0.00 54.13 54.79 2kum s LEU 18 Cb -0.34 -3.22 -0.07 0.00 0.03 0.00 0.00 46.19 42.59 2kum s LEU 18 CO 0.42 0.17 1.26 -0.44 0.23 0.00 0.00 176.35 177.99 2kum s SER 19 N -1.37 6.00 0.35 2.29 0.01 -1.26 -4.89 113.70 114.83 2kum s SER 19 Ca 0.35 2.54 0.04 0.00 1.31 0.00 0.00 55.95 60.20 2kum s SER 19 Cb -0.19 -2.62 0.65 0.00 0.21 0.00 0.00 66.02 64.07 2kum s SER 19 CO 0.21 -1.05 1.93 -0.78 0.41 0.00 0.00 173.24 173.96 2kum h ASP 20 N 2.14 0.53 -0.37 2.44 1.82 -1.99 -1.34 116.42 119.66 2kum h ASP 20 Ca -0.50 -0.07 -0.02 0.00 -0.39 0.00 0.00 57.03 56.06 2kum h ASP 20 Cb 1.26 -0.14 -0.02 0.00 0.68 0.00 0.00 39.33 41.12 2kum h ASP 20 CO 0.60 0.52 0.17 0.11 -1.61 0.00 0.00 179.24 179.03 2kum h LYS 21 N 0.58 0.53 0.00 0.28 1.57 -2.00 -1.71 116.57 115.82 2kum h LYS 21 Ca 0.14 -0.08 -0.11 0.00 -1.87 0.00 0.00 60.65 58.72 2kum h LYS 21 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 32.23 32.39 2kum h LYS 21 CO -0.01 0.49 -0.55 1.37 -0.57 0.00 0.00 179.45 180.18 2kum h LEU 22 N 0.45 0.00 -0.37 2.94 8.10 -1.88 -3.25 115.31 121.31 2kum h LEU 22 Ca 0.13 0.00 -0.02 0.00 0.11 0.00 0.00 57.88 58.10 2kum h LEU 22 Cb 0.14 0.00 -0.02 0.00 -0.44 0.00 0.00 40.66 40.34 2kum h LEU 22 CO -0.01 0.55 0.16 -0.07 -4.11 0.00 0.00 178.44 174.95 2kum h LEU 23 N 0.00 0.50 0.00 0.17 3.38 -0.61 -1.69 115.31 117.07 2kum h LEU 23 Ca -0.01 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.81 2kum h LEU 23 Cb 1.12 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.74 2kum h LEU 23 CO 0.07 0.52 0.00 -2.11 0.09 0.00 0.00 178.44 177.01 2kum n ARG 24 N -4.69 0.37 -0.04 1.13 1.85 -0.70 -0.70 116.66 113.89 2kum n ARG 24 Ca -0.01 0.00 0.02 0.00 -1.00 0.00 0.00 57.85 56.87 2kum n ARG 24 Cb 0.13 -1.25 0.04 0.00 -1.05 0.00 0.00 32.46 30.33 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 -0.75 2.73 -2.73 2.89 5.02 -0.64 -4.41 118.16 120.27 2kum n LYS 25 Ca 0.05 -1.74 -0.37 0.00 -2.02 0.00 0.00 58.31 54.22 2kum n LYS 25 Cb 0.02 -1.12 -0.06 0.00 -0.02 0.00 0.00 35.03 33.85 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 -1.32 4.10 -0.11 -0.18 1.01 0.13 -4.02 120.40 120.01 2kum s VAL 26 Ca 0.08 1.75 0.05 0.00 0.00 0.00 0.00 61.98 63.85 2kum s VAL 26 Cb 0.06 -3.97 -0.10 0.00 0.00 0.00 0.00 36.38 32.37 2kum s VAL 26 CO 0.02 0.15 -0.04 2.30 0.00 0.00 0.00 175.10 177.53 2kum n ILE 27 N 0.54 0.69 -3.88 2.22 -5.35 0.19 -4.89 119.36 108.88 2kum n ILE 27 Ca 0.02 -0.34 -0.09 0.00 -0.27 0.00 0.00 62.75 62.07 2kum n ILE 27 Cb 0.50 -0.84 -0.08 0.00 -1.74 0.00 0.00 39.64 37.47 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 -2.24 0.74 -0.16 6.28 -1.52 -0.87 -4.95 119.66 116.94 2kum s GLN 28 Ca -0.11 -0.85 0.01 0.00 -1.95 0.00 0.00 55.36 52.47 2kum s GLN 28 Cb 0.04 0.30 0.02 0.00 -0.22 0.00 0.00 33.01 33.14 2kum s GLN 28 CO 0.34 -0.22 -0.20 0.08 -0.25 0.00 0.00 175.29 175.04 2kum s VAL 29 N -3.28 2.02 0.22 1.09 1.01 -1.26 -0.72 120.40 119.48 2kum s VAL 29 Ca 0.01 -0.93 0.10 0.00 0.00 0.00 0.00 61.98 61.15 2kum s VAL 29 Cb 0.02 -1.82 -0.04 0.00 0.00 0.00 0.00 36.38 34.54 2kum s VAL 29 CO -0.08 0.54 -0.09 -1.61 0.00 0.00 0.00 175.10 173.86 2kum s GLU 30 N 1.15 2.06 -0.21 2.72 2.02 0.63 -4.84 118.70 122.24 2kum s GLU 30 Ca 0.01 -1.40 0.01 0.00 0.02 0.00 0.00 54.97 53.61 2kum s GLU 30 Cb -0.14 -2.09 0.03 0.00 0.10 0.00 0.00 34.13 32.04 2kum s GLU 30 CO -0.09 0.39 -0.16 -1.17 0.02 0.00 0.00 175.26 174.25 2kum s LEU 31 N -3.21 2.67 -0.33 1.80 2.96 -1.26 -0.30 118.68 121.01 2kum s LEU 31 Ca 0.28 -0.92 -0.17 0.00 -0.22 0.00 0.00 54.13 53.09 2kum s LEU 31 Cb -0.07 -1.52 -0.01 0.00 0.50 0.00 0.00 46.19 45.08 2kum s LEU 31 CO 0.17 -0.08 0.46 -1.58 -1.32 0.00 0.00 176.35 174.00 2kum s GLN 32 N 1.23 3.72 0.52 1.98 0.74 0.19 -4.95 119.66 123.09 2kum s GLN 32 Ca -0.00 -0.12 -0.16 0.00 0.05 0.00 0.00 55.36 55.12 2kum s GLN 32 Cb -0.16 -3.77 -0.08 0.00 1.10 0.00 0.00 33.01 30.11 2kum s GLN 32 CO -0.09 -0.53 0.99 -1.21 -0.55 0.00 0.00 175.29 173.90 2kum s GLU 33 N 2.26 3.93 -0.01 1.67 2.02 -1.26 -0.89 118.70 126.41 2kum s GLU 33 Ca 0.17 0.95 0.03 0.00 0.02 0.00 0.00 54.97 56.14 2kum s GLU 33 Cb -0.16 -2.13 0.10 0.00 0.10 0.00 0.00 34.13 32.04 2kum s GLU 33 CO 0.12 -0.29 0.99 0.00 0.02 0.00 0.00 175.26 176.09 2kum n ALA 34 N -1.62 2.53 -1.08 5.21 0.00 -1.26 -3.52 120.51 120.76 2kum n ALA 34 Ca 0.07 -0.21 0.00 0.00 0.00 0.00 0.00 53.44 53.30 2kum n ALA 34 Cb 0.54 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.99 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 -0.12 0.00 0.00 0.00 5.68 -1.04 -4.55 116.55 116.52 2kum n ASP 35 Ca 0.04 -0.46 0.00 0.00 -0.50 0.00 0.00 54.79 53.87 2kum n ASP 35 Cb 0.16 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.14 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2kum n GLY 36 N 0.00 0.49 1.07 6.12 0.00 -1.23 -4.76 105.19 106.88 2kum n GLY 36 Ca 0.00 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.13 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 0.00 3.16 -3.24 1.61 2.03 -1.26 -4.97 116.55 113.87 2kum n ASP 37 Ca 0.00 -1.96 -0.06 0.00 0.52 0.00 0.00 54.79 53.29 2kum n ASP 37 Cb 0.00 -0.31 0.02 0.00 -0.72 0.00 0.00 41.12 40.11 2kum n ASP 37 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 2kum h HIS 39 N 2.00 0.49 -2.67 0.00 2.76 -1.83 -2.77 115.15 113.14 2kum h HIS 39 Ca -0.29 -0.36 -0.56 0.00 -2.20 0.00 0.00 60.37 56.96 2kum h HIS 39 Cb 1.24 -0.02 -0.04 0.00 1.55 0.00 0.00 27.41 30.13 2kum h HIS 39 CO 1.21 1.69 -0.51 -0.48 -1.30 0.00 0.00 177.93 178.54 2kum s LEU 40 N -7.28 4.13 -0.13 0.26 -0.00 -1.26 -4.27 118.68 110.14 2kum s LEU 40 Ca -0.21 0.07 -0.16 0.00 -0.00 0.00 0.00 54.13 53.83 2kum s LEU 40 Cb 0.06 -2.73 -0.04 0.00 -0.00 0.00 0.00 46.19 43.48 2kum s LEU 40 CO 0.77 0.07 0.40 -1.58 -0.00 0.00 0.00 176.35 176.02 2kum s GLN 41 N -3.09 4.29 -0.12 1.48 0.74 -1.26 -4.30 119.66 117.42 2kum s GLN 41 Ca 0.33 0.30 -0.06 0.00 0.05 0.00 0.00 55.36 55.99 2kum s GLN 41 Cb -0.11 -3.43 0.05 0.00 1.10 0.00 0.00 33.01 30.63 2kum s GLN 41 CO 0.26 0.20 0.27 0.00 -0.55 0.00 0.00 175.29 175.47 2kum s ALA 42 N 0.52 -0.61 -0.45 1.58 0.00 -0.07 -4.43 121.76 118.30 2kum s ALA 42 Ca 0.22 1.04 -0.23 0.00 0.00 0.00 0.00 51.96 52.99 2kum s ALA 42 Cb -0.14 -0.75 0.03 0.00 0.00 0.00 0.00 23.12 22.26 2kum s ALA 42 CO 0.08 -0.30 0.77 -0.06 0.00 0.00 0.00 175.76 176.24 2kum s PHE 43 N 1.52 3.00 -0.21 0.00 0.08 0.24 0.54 117.98 123.15 2kum s PHE 43 Ca -0.07 0.11 -0.13 0.00 0.12 0.00 0.00 56.93 56.96 2kum s PHE 43 Cb -0.11 -3.63 -0.04 0.00 -0.57 0.00 0.00 43.02 38.67 2kum s PHE 43 CO -0.09 -0.98 0.28 0.08 -0.10 0.00 0.00 175.22 174.41 2kum s VAL 44 N 3.23 5.29 -0.47 -0.44 1.01 0.58 -2.00 120.40 127.61 2kum s VAL 44 Ca 0.29 0.46 -0.20 0.00 0.00 0.00 0.00 61.98 62.53 2kum s VAL 44 Cb -0.12 -3.62 0.04 0.00 0.00 0.00 0.00 36.38 32.68 2kum s VAL 44 CO 0.22 0.32 0.64 -0.76 0.00 0.00 0.00 175.10 175.51 2kum s LEU 45 N 1.03 4.66 -0.40 3.92 1.43 0.81 -0.27 118.68 129.86 2kum s LEU 45 Ca 0.14 -0.55 -0.17 0.00 -1.03 0.00 0.00 54.13 52.51 2kum s LEU 45 Cb -0.14 -2.61 0.01 0.00 0.03 0.00 0.00 46.19 43.48 2kum s LEU 45 CO 0.05 -0.82 0.45 -2.28 0.23 0.00 0.00 176.35 173.98 2kum s HIS 46 N 2.77 3.17 0.30 0.29 2.46 0.10 -0.70 115.29 123.67 2kum s HIS 46 Ca 0.20 -0.20 -0.01 0.00 0.47 0.00 0.00 55.06 55.52 2kum s HIS 46 Cb -0.16 -2.90 -0.04 0.00 -0.13 0.00 0.00 32.58 29.35 2kum s HIS 46 CO 0.16 -0.64 0.51 -0.51 -2.47 0.00 0.00 174.74 171.79 2kum s LEU 47 N 2.22 4.08 0.16 8.88 1.02 -0.35 -0.64 118.68 134.06 2kum s LEU 47 Ca 0.14 0.49 0.16 0.00 0.02 0.00 0.00 54.13 54.94 2kum s LEU 47 Cb -0.16 -3.32 0.76 0.00 0.02 0.00 0.00 46.19 43.48 2kum s LEU 47 CO 0.14 -0.21 1.50 0.00 0.02 0.00 0.00 176.35 177.81 2kum n ALA 48 N -1.31 1.38 -0.08 4.21 0.00 -1.26 -2.76 120.51 120.69 2kum n ALA 48 Ca -0.04 0.07 -0.11 0.00 0.00 0.00 0.00 53.44 53.36 2kum n ALA 48 Cb 0.55 -1.26 -0.09 0.00 0.00 0.00 0.00 19.45 18.65 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 -1.93 0.80 -3.48 0.00 3.00 -1.26 -5.05 117.38 109.47 2kum n GLN 49 Ca 0.01 0.07 -0.15 0.00 -0.01 0.00 0.00 57.00 56.92 2kum n GLN 49 Cb 0.12 -1.35 -0.04 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 -2.35 1.12 -0.14 -1.09 3.03 -1.11 -5.13 118.95 113.28 2kum s ARG 50 Ca -0.19 -0.06 -0.10 0.00 2.03 0.00 0.00 55.73 57.42 2kum s ARG 50 Cb 0.06 0.52 -0.05 0.00 -1.03 0.00 0.00 34.95 34.45 2kum s ARG 50 CO 0.45 -0.42 0.18 -1.12 -1.13 0.00 0.00 175.30 173.26 2kum s SER 51 N -1.86 6.37 -0.14 -2.89 0.01 -1.26 -1.21 113.70 112.72 2kum s SER 51 Ca -0.05 0.43 -0.01 0.00 1.31 0.00 0.00 55.95 57.63 2kum s SER 51 Cb -0.00 -2.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.10 2kum s SER 51 CO -0.00 0.28 -0.11 -0.63 0.41 0.00 0.00 173.24 173.19 2kum s ILE 52 N -0.32 3.23 -0.22 1.44 1.01 0.12 -4.94 121.20 121.52 2kum s ILE 52 Ca 0.13 -0.59 -0.09 0.00 0.00 0.00 0.00 60.65 60.10 2kum s ILE 52 Cb -0.12 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.92 2kum s ILE 52 CO 0.03 0.51 0.11 0.00 0.00 0.00 0.00 174.94 175.59 2kum s ILE 54 N 0.87 1.74 0.15 0.00 1.01 -0.84 -0.46 121.20 123.66 2kum s ILE 54 Ca 0.06 -1.35 -0.26 0.00 0.00 0.00 0.00 60.65 59.10 2kum s ILE 54 Cb -0.13 -1.53 -0.08 0.00 0.01 0.00 0.00 42.46 40.73 2kum s ILE 54 CO 0.03 0.12 0.79 -1.38 0.00 0.00 0.00 174.94 174.50 2kum s HIS 55 N -0.93 3.88 0.61 3.97 -3.43 -1.26 0.83 115.29 118.96 2kum s HIS 55 Ca 0.08 1.63 0.27 0.00 -0.80 0.00 0.00 55.06 56.24 2kum s HIS 55 Cb -0.09 -2.80 1.38 0.00 -1.43 0.00 0.00 32.58 29.64 2kum s HIS 55 CO 0.03 0.46 1.79 -1.35 -2.00 0.00 0.00 174.74 173.67 2kum h PRO 56 N 4.58 0.00 -0.02 -0.38 0.11 -1.88 0.16 132.00 134.57 2kum h PRO 56 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 2kum h PRO 56 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 2kum h PRO 56 CO 0.67 0.00 0.00 1.04 -0.21 0.00 0.00 178.00 179.50 2kum n GLN 57 N -3.41 1.07 -3.17 1.05 3.00 -1.26 -4.73 117.38 109.93 2kum n GLN 57 Ca 0.07 -0.10 -0.40 0.00 -0.01 0.00 0.00 57.00 56.56 2kum n GLN 57 Cb 0.72 -1.13 -0.07 0.00 0.00 0.00 0.00 30.24 29.77 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 -1.22 6.56 0.43 1.08 3.84 0.57 -4.96 114.94 121.23 2kum s ASN 58 Ca 0.12 0.68 0.23 0.00 0.21 0.00 0.00 52.86 54.09 2kum s ASN 58 Cb 0.06 -2.32 1.21 0.00 -0.55 0.00 0.00 41.25 39.65 2kum s ASN 58 CO 0.09 -0.30 1.77 1.55 -2.79 0.00 0.00 177.10 177.43 2kum h PRO 59 N 7.78 0.28 -0.17 0.43 0.13 -1.89 -2.12 132.00 136.45 2kum h PRO 59 Ca -0.29 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 2kum h PRO 59 Cb 1.14 -0.06 -0.01 0.00 0.13 0.00 0.00 31.00 32.19 2kum h PRO 59 CO 0.75 0.19 0.11 0.77 -0.23 0.00 0.00 178.00 179.59 2kum h SER 60 N 0.29 0.19 -0.25 1.44 0.02 -1.95 -1.62 113.55 111.68 2kum h SER 60 Ca 0.60 -0.01 -0.09 0.00 -0.84 0.00 0.00 61.79 61.45 2kum h SER 60 Cb 1.71 -0.05 -0.00 0.00 0.14 0.00 0.00 62.40 64.20 2kum h SER 60 CO -0.24 0.14 -0.19 0.25 -1.14 0.00 0.00 176.83 175.64 2kum h LEU 61 N 0.23 0.60 -0.02 5.07 7.12 -1.73 -1.00 115.31 125.57 2kum h LEU 61 Ca 0.06 -0.45 -0.01 0.00 0.13 0.00 0.00 57.88 57.61 2kum h LEU 61 Cb -0.03 -0.17 -0.00 0.00 -0.53 0.00 0.00 40.66 39.94 2kum h LEU 61 CO -0.01 0.92 -0.03 -1.28 -0.13 0.00 0.00 178.44 177.91 2kum h SER 62 N 0.28 0.06 0.03 1.25 0.87 -1.53 -2.74 113.55 111.76 2kum h SER 62 Ca 0.05 -0.53 -0.00 0.00 -1.23 0.00 0.00 61.79 60.07 2kum h SER 62 Cb 0.73 -0.02 -0.00 0.00 -0.44 0.00 0.00 62.40 62.68 2kum h SER 62 CO 0.05 0.58 -0.02 0.06 -0.53 0.00 0.00 176.83 176.98 2kum h GLN 63 N -0.46 0.00 -0.44 2.24 3.07 -1.39 -0.03 115.11 118.09 2kum h GLN 63 Ca 0.00 0.00 -0.08 0.00 0.09 0.00 0.00 58.65 58.67 2kum h GLN 63 Cb 0.57 0.00 -0.02 0.00 0.08 0.00 0.00 27.48 28.11 2kum h GLN 63 CO 0.01 0.02 -0.04 2.35 0.09 0.00 0.00 178.83 181.26 2kum h TRP 64 N 0.00 0.80 -0.54 0.06 -0.00 -0.92 -0.71 115.95 114.64 2kum h TRP 64 Ca -0.00 -0.12 0.09 0.00 -0.00 0.00 0.00 58.89 58.86 2kum h TRP 64 Cb 0.04 -0.22 -0.07 0.00 -0.00 0.00 0.00 29.16 28.91 2kum h TRP 64 CO 0.00 0.76 0.14 0.74 -0.00 0.00 0.00 178.44 180.08 2kum h PHE 65 N 0.69 0.23 -0.26 2.65 0.04 -0.71 0.52 116.94 120.10 2kum h PHE 65 Ca 0.13 0.03 -0.04 0.00 2.80 0.00 0.00 57.97 60.90 2kum h PHE 65 Cb 0.48 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 38.60 2kum h PHE 65 CO 0.02 0.02 0.02 0.93 -0.60 0.00 0.00 178.31 178.70 2kum h GLU 66 N 0.28 0.44 0.00 1.51 5.08 -1.45 -2.98 114.58 117.47 2kum h GLU 66 Ca 0.27 -0.13 -0.08 0.00 -1.00 0.00 0.00 59.36 58.42 2kum h GLU 66 Cb 0.36 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 2kum h GLU 66 CO -0.33 0.59 -0.39 0.45 -1.00 0.00 0.00 179.01 178.33 2kum h HIS 67 N 0.23 0.00 0.00 4.33 3.86 -0.30 -2.31 115.15 120.96 2kum h HIS 67 Ca 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.29 2kum h HIS 67 Cb 0.38 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.85 2kum h HIS 67 CO 0.03 0.39 0.00 -0.56 0.86 0.00 0.00 177.93 178.65 2kum h GLN 68 N 0.00 0.00 0.00 2.45 3.07 -0.02 -0.02 115.11 120.58 2kum h GLN 68 Ca -0.00 0.00 -0.04 0.00 0.09 0.00 0.00 58.65 58.69 2kum h GLN 68 Cb 1.14 0.00 -0.01 0.00 0.08 0.00 0.00 27.48 28.69 2kum h GLN 68 CO 0.05 0.00 -0.21 1.49 0.09 0.00 0.00 178.83 180.25 2kum h GLU 69 N 0.00 0.00 -0.08 0.06 4.57 -1.25 -2.92 114.58 114.95 2kum h GLU 69 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 2kum h GLU 69 Cb 0.91 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.50 2kum h GLU 69 CO 0.00 0.21 0.00 2.89 -1.18 0.00 0.00 179.01 180.93 2kum n ARG 70 N -3.98 1.18 -2.10 1.92 1.85 -0.91 -4.15 116.66 110.46 2kum n ARG 70 Ca -0.02 -1.44 -0.02 0.00 -1.00 0.00 0.00 57.85 55.38 2kum n ARG 70 Cb 0.29 -1.27 -0.00 0.00 -1.05 0.00 0.00 32.46 30.43 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 0.74 1.90 0.00 2.89 5.02 -0.07 -4.90 118.16 123.74 2kum n LYS 71 Ca 0.09 -0.19 0.00 0.00 -2.02 0.00 0.00 58.31 56.18 2kum n LYS 71 Cb 0.35 0.05 0.00 0.00 -0.02 0.00 0.00 35.03 35.41 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 4.77 -1.26 -0.97 117.00 119.19 2kum n LEU 72 Ca -0.01 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 2kum n LEU 72 Cb 0.03 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.12 2kum n LEU 72 CO 0.02 0.00 0.00 1.57 -1.33 0.00 0.00 177.39 177.65 2kum n HIS 73 N 0.00 0.00 -2.59 -1.77 -0.00 -1.26 -4.96 115.22 104.65 2kum n HIS 73 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 57.72 57.70 2kum n HIS 73 Cb 0.00 0.10 0.01 0.00 -0.00 0.00 0.00 29.99 30.09 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 0.00 0.80 3.41 1.57 0.00 -0.14 -5.06 105.19 105.77 2kum n GLY 74 Ca 0.00 -0.59 -0.33 0.00 0.00 0.00 0.00 46.02 45.11 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 -3.03 3.13 -0.06 2.61 -4.23 -1.22 -4.90 115.64 107.94 2kum s THR 75 Ca 0.05 -0.65 -0.29 0.00 -1.18 0.00 0.00 61.69 59.62 2kum s THR 75 Cb -0.02 -2.30 0.10 0.00 1.34 0.00 0.00 72.50 71.62 2kum s THR 75 CO 0.07 0.54 0.83 -1.48 -0.54 0.00 0.00 174.62 174.04 2kum s LEU 76 N 0.03 -0.49 -0.37 4.79 0.05 -1.26 -4.59 118.68 116.84 2kum s LEU 76 Ca -0.04 0.39 -0.29 0.00 0.05 0.00 0.00 54.13 54.24 2kum s LEU 76 Cb -0.14 2.20 0.01 0.00 -2.05 0.00 0.00 46.19 46.21 2kum s LEU 76 CO 0.04 -0.55 1.24 -2.16 -0.55 0.00 0.00 176.35 174.37 2kum s PRO 77 N -1.81 3.82 -0.85 1.48 0.04 -1.26 -4.97 135.00 131.45 2kum s PRO 77 Ca -0.03 0.97 -0.23 0.00 0.04 0.00 0.00 61.00 61.74 2kum s PRO 77 Cb -0.00 -3.89 0.06 0.00 0.04 0.00 0.00 34.50 30.71 2kum s PRO 77 CO 0.01 -1.24 1.25 0.15 0.04 0.00 0.00 177.00 177.20 2kum s LYS 78 N 4.31 3.38 0.00 4.56 1.02 -1.26 -4.63 119.74 127.12 2kum s LYS 78 Ca 0.53 -0.92 0.02 0.00 0.02 0.00 0.00 55.97 55.62 2kum s LYS 78 Cb -0.13 -4.71 0.03 0.00 -0.52 0.00 0.00 37.83 32.50 2kum s LYS 78 CO 0.26 -2.04 0.80 1.47 -0.92 0.00 0.00 175.35 174.93 2kum n LEU 79 N 8.39 0.01 -0.02 3.17 -0.00 -1.26 -5.11 117.00 122.18 2kum n LEU 79 Ca 0.15 -1.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.03 2kum n LEU 79 Cb 0.49 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.91 2kum n LEU 79 CO 0.64 0.66 0.00 0.59 -0.00 0.00 0.00 177.39 179.28 2kum n ASN 80 N 0.03 0.00 -1.31 1.45 3.02 -1.26 -4.86 115.26 112.33 2kum n ASN 80 Ca -0.01 0.00 0.08 0.00 -0.03 0.00 0.00 54.58 54.61 2kum n ASN 80 Cb 0.65 0.00 0.32 0.00 -0.61 0.00 0.00 39.78 40.14 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 2kum n PHE 81 N 0.42 1.42 0.00 3.10 3.72 -1.26 -4.94 117.46 119.93 2kum n PHE 81 Ca 0.00 -0.83 0.00 0.00 -0.05 0.00 0.00 57.45 56.57 2kum n PHE 81 Cb 0.00 -0.40 0.00 0.00 -0.94 0.00 0.00 39.48 38.14 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 -0.06 2.73 1.51 1.37 0.00 -1.26 -4.72 105.19 104.75 2kum n GLY 82 Ca 0.24 -0.41 0.10 0.00 0.00 0.00 0.00 46.02 45.95 2kum n GLY 82 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 2kum n MET 83 N 0.00 3.59 -0.05 1.61 0.00 -1.26 -4.29 117.12 116.72 2kum n MET 83 Ca 0.00 -2.84 0.07 0.00 0.00 0.00 0.00 57.70 54.93 2kum n MET 83 Cb 0.00 -1.84 0.34 0.00 0.00 0.00 0.00 33.22 31.72 2kum n MET 83 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 175.97 177.25 2kum n LEU 84 N 1.10 0.76 -2.09 3.17 7.99 -1.26 -4.83 117.00 121.83 2kum n LEU 84 Ca 0.25 -0.34 -0.19 0.00 -0.01 0.00 0.00 56.01 55.72 2kum n LEU 84 Cb 0.85 -0.06 -0.04 0.00 -0.11 0.00 0.00 43.42 44.06 2kum n LEU 84 CO 0.22 0.17 -0.22 0.54 -1.51 0.00 0.00 177.39 176.59 2kum n ARG 85 N -0.22 -1.66 -1.48 3.23 5.12 -1.26 -1.42 116.66 118.97 2kum n ARG 85 Ca 0.12 1.00 -0.09 0.00 -1.93 0.00 0.00 57.85 56.95 2kum n ARG 85 Cb 0.16 -5.54 -0.03 0.00 -1.16 0.00 0.00 32.46 25.89 2kum n ARG 85 CO 0.00 0.00 0.00 1.17 -1.93 0.00 0.00 177.63 176.87 2kum n LYS 86 N -2.71 -1.43 0.00 5.56 4.81 -1.26 -4.71 118.16 118.42 2kum n LYS 86 Ca -0.21 0.50 0.02 0.00 -0.87 0.00 0.00 58.31 57.75 2kum n LYS 86 Cb 0.65 -4.74 0.01 0.00 0.02 0.00 0.00 35.03 30.98 2kum n LYS 86 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 2kum n MET 87 N -1.80 0.30 0.00 1.64 0.00 -0.51 -5.15 117.12 111.61 2kum n MET 87 Ca -0.09 -0.68 0.07 0.00 0.00 0.00 0.00 57.70 57.00 2kum n MET 87 Cb 0.34 -1.04 0.06 0.00 0.00 0.00 0.00 33.22 32.58 2kum n MET 87 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38