#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 -0.21 -2.13 2.96 -1.26 -4.90 118.68 117.49 2kum s LEU 2 Ca 0.00 2.95 -0.29 0.00 -0.22 0.00 0.00 54.13 56.57 2kum s LEU 2 Cb 0.00 -3.63 -0.03 0.00 0.50 0.00 0.00 46.19 43.04 2kum s LEU 2 CO 0.00 -0.94 1.58 -0.76 -1.32 0.00 0.00 176.35 174.91 2kum s LEU 3 N -0.20 3.94 0.31 -0.68 2.01 -1.26 -4.95 118.68 117.86 2kum s LEU 3 Ca 0.66 1.64 -0.29 0.00 0.01 0.00 0.00 54.13 56.15 2kum s LEU 3 Cb -0.48 -3.53 -0.13 0.00 0.01 0.00 0.00 46.19 42.06 2kum s LEU 3 CO 0.45 -1.19 1.29 -2.65 1.01 0.00 0.00 176.35 175.26 2kum n PRO 4 N 7.54 2.04 -1.63 1.29 -0.02 -1.25 -4.81 135.00 138.16 2kum n PRO 4 Ca 0.18 0.72 -0.49 0.00 -2.02 0.00 0.00 63.50 61.89 2kum n PRO 4 Cb 0.45 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.58 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 0.91 1.82 -1.08 0.52 -0.02 -1.26 -0.46 135.00 135.43 2kum n PRO 5 Ca 0.07 0.63 -0.03 0.00 -2.02 0.00 0.00 63.50 62.14 2kum n PRO 5 Cb 0.35 -2.62 -0.01 0.00 -0.02 0.00 0.00 33.50 31.20 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 7.75 -3.48 -3.69 2.55 7.64 -1.26 -4.97 113.62 118.16 2kum n SER 6 Ca 0.28 0.07 -0.28 0.00 1.01 0.00 0.00 58.87 59.95 2kum n SER 6 Cb 0.28 -1.23 -0.12 0.00 -1.01 0.00 0.00 64.21 62.13 2kum n SER 6 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 2kum s THR 7 N -2.06 1.71 -0.52 0.44 2.01 0.40 -5.08 115.64 112.54 2kum s THR 7 Ca 0.00 -3.35 -0.19 0.00 0.31 0.00 0.00 61.69 58.45 2kum s THR 7 Cb 0.00 -2.15 0.06 0.00 0.01 0.00 0.00 72.50 70.42 2kum s THR 7 CO 0.00 -1.06 0.65 0.00 -0.69 0.00 0.00 174.62 173.53 2kum s ALA 8 N -0.55 3.37 -0.42 7.40 0.00 -1.26 -3.91 121.76 126.39 2kum s ALA 8 Ca 0.26 -1.75 0.06 0.00 0.00 0.00 0.00 51.96 50.53 2kum s ALA 8 Cb -0.06 -3.39 0.22 0.00 0.00 0.00 0.00 23.12 19.88 2kum s ALA 8 CO -0.14 -2.07 0.52 0.00 0.00 0.00 0.00 175.76 174.07 2kum h THR 11 N 5.52 1.23 -3.31 0.00 1.35 -1.99 -3.46 112.91 112.24 2kum h THR 11 Ca -0.23 -2.63 -0.50 0.00 -0.55 0.00 0.00 66.41 62.50 2kum h THR 11 Cb 1.09 3.00 0.01 0.00 -1.73 0.00 0.00 68.15 70.52 2kum h THR 11 CO 0.90 0.80 -0.04 0.00 -0.25 0.00 0.00 175.52 176.93 2kum s GLN 12 N -2.57 3.61 0.05 4.72 1.03 -1.26 -5.11 119.66 120.13 2kum s GLN 12 Ca -0.11 0.08 0.02 0.00 0.04 0.00 0.00 55.36 55.39 2kum s GLN 12 Cb 0.04 -2.54 -0.03 0.00 0.03 0.00 0.00 33.01 30.51 2kum s GLN 12 CO 0.91 0.06 -0.08 -0.51 -2.54 0.00 0.00 175.29 173.13 2kum s LEU 13 N -4.02 2.31 -0.07 2.60 1.43 -1.26 -4.83 118.68 114.84 2kum s LEU 13 Ca 0.45 -0.64 -0.25 0.00 -1.03 0.00 0.00 54.13 52.66 2kum s LEU 13 Cb -0.10 -0.14 -0.25 0.00 0.03 0.00 0.00 46.19 45.73 2kum s LEU 13 CO 0.35 -0.26 0.97 0.22 0.23 0.00 0.00 176.35 177.86 2kum h TYR 14 N 4.20 0.23 0.00 0.29 3.20 -0.93 -3.47 116.97 120.49 2kum h TYR 14 Ca -0.36 -0.14 0.00 0.00 3.14 0.00 0.00 58.73 61.37 2kum h TYR 14 Cb 1.19 -0.02 0.00 0.00 1.54 0.00 0.00 36.73 39.44 2kum h TYR 14 CO 0.64 0.98 0.00 0.54 -1.64 0.00 0.00 178.16 178.68 2kum n ARG 15 N -4.49 -0.82 -4.36 1.82 1.74 -1.26 -4.97 116.66 104.32 2kum n ARG 15 Ca -0.10 0.21 -0.29 0.00 -0.77 0.00 0.00 57.85 56.90 2kum n ARG 15 Cb 0.53 -4.06 -0.12 0.00 -1.02 0.00 0.00 32.46 27.79 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 -1.03 1.61 0.06 5.56 1.02 -1.26 -5.06 119.74 120.65 2kum s LYS 16 Ca 0.00 -1.31 -0.31 0.00 0.02 0.00 0.00 55.97 54.37 2kum s LYS 16 Cb 0.00 -1.99 -0.08 0.00 -0.52 0.00 0.00 37.83 35.24 2kum s LYS 16 CO 0.00 0.45 1.60 -2.14 -0.92 0.00 0.00 175.35 174.34 2kum s PRO 17 N -2.26 4.21 0.29 -1.68 0.02 -1.26 -4.90 135.00 129.43 2kum s PRO 17 Ca 0.17 2.27 -0.28 0.00 0.02 0.00 0.00 61.00 63.18 2kum s PRO 17 Cb -0.10 -3.56 -0.09 0.00 0.02 0.00 0.00 34.50 30.77 2kum s PRO 17 CO 0.09 -0.70 1.01 -0.51 -0.33 0.00 0.00 177.00 176.56 2kum s LEU 18 N 2.49 4.50 0.45 -5.54 1.43 -1.26 -5.01 118.68 115.74 2kum s LEU 18 Ca 0.72 2.05 -0.23 0.00 -1.03 0.00 0.00 54.13 55.63 2kum s LEU 18 Cb -0.39 -3.75 -0.08 0.00 0.03 0.00 0.00 46.19 42.00 2kum s LEU 18 CO 0.31 -0.06 1.15 -0.44 0.23 0.00 0.00 176.35 177.55 2kum s SER 19 N -1.20 6.25 0.45 2.29 0.01 -1.26 -4.86 113.70 115.38 2kum s SER 19 Ca 0.46 2.28 0.15 0.00 1.31 0.00 0.00 55.95 60.15 2kum s SER 19 Cb -0.26 -2.60 1.08 0.00 0.21 0.00 0.00 66.02 64.44 2kum s SER 19 CO 0.33 -0.86 2.01 -0.78 0.41 0.00 0.00 173.24 174.35 2kum h ASP 20 N 2.13 0.30 -0.43 2.44 1.82 -1.97 -0.11 116.42 120.60 2kum h ASP 20 Ca -0.49 0.00 -0.11 0.00 -0.39 0.00 0.00 57.03 56.04 2kum h ASP 20 Cb 1.24 -0.06 -0.02 0.00 0.68 0.00 0.00 39.33 41.18 2kum h ASP 20 CO 0.61 0.19 -0.13 0.11 -1.61 0.00 0.00 179.24 178.40 2kum h LYS 21 N 0.34 0.90 -0.07 0.28 1.79 -1.99 0.13 116.57 117.95 2kum h LYS 21 Ca 0.23 -0.33 -0.21 0.00 -2.18 0.00 0.00 60.65 58.16 2kum h LYS 21 Cb 0.48 -0.06 0.00 0.00 -1.58 0.00 0.00 32.23 31.07 2kum h LYS 21 CO -0.06 0.98 -0.83 -0.07 -1.08 0.00 0.00 179.45 178.40 2kum h LEU 22 N 0.80 0.67 -0.68 2.94 3.38 -1.67 -3.33 115.31 117.42 2kum h LEU 22 Ca 0.13 -0.47 -0.07 0.00 0.09 0.00 0.00 57.88 57.56 2kum h LEU 22 Cb 0.66 -0.20 -0.03 0.00 0.09 0.00 0.00 40.66 41.19 2kum h LEU 22 CO 0.05 1.25 0.17 -0.07 0.09 0.00 0.00 178.44 179.92 2kum h LEU 23 N 0.35 1.03 0.00 1.67 3.38 -0.44 -1.46 115.31 119.84 2kum h LEU 23 Ca -0.06 -0.23 0.00 0.00 0.09 0.00 0.00 57.88 57.68 2kum h LEU 23 Cb 1.44 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.92 2kum h LEU 23 CO 0.15 1.00 0.00 -2.11 0.09 0.00 0.00 178.44 177.57 2kum n ARG 24 N -4.27 0.31 -0.08 1.13 1.85 0.41 -1.42 116.66 114.59 2kum n ARG 24 Ca 0.05 0.00 0.05 0.00 -1.00 0.00 0.00 57.85 56.94 2kum n ARG 24 Cb 0.25 -1.49 0.09 0.00 -1.05 0.00 0.00 32.46 30.26 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 -0.99 2.41 -2.62 2.89 5.02 -0.55 -4.55 118.16 119.77 2kum n LYS 25 Ca 0.07 -2.04 -0.41 0.00 -2.02 0.00 0.00 58.31 53.92 2kum n LYS 25 Cb 0.03 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 33.73 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 -1.78 4.07 -0.05 -0.18 1.01 -0.51 -3.83 120.40 119.14 2kum s VAL 26 Ca 0.17 1.83 0.08 0.00 0.00 0.00 0.00 61.98 64.06 2kum s VAL 26 Cb 0.14 -4.16 -0.12 0.00 0.00 0.00 0.00 36.38 32.23 2kum s VAL 26 CO 0.04 0.33 0.11 2.30 0.00 0.00 0.00 175.10 177.88 2kum n ILE 27 N 2.29 0.29 -3.83 2.22 -5.35 0.34 -4.81 119.36 110.52 2kum n ILE 27 Ca 0.02 -0.28 -0.12 0.00 -0.27 0.00 0.00 62.75 62.10 2kum n ILE 27 Cb 0.47 -0.25 -0.10 0.00 -1.74 0.00 0.00 39.64 38.02 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 -2.40 0.53 -0.18 6.28 -1.52 -0.80 -4.72 119.66 116.85 2kum s GLN 28 Ca -0.04 -0.27 0.01 0.00 -1.95 0.00 0.00 55.36 53.11 2kum s GLN 28 Cb 0.04 0.23 0.04 0.00 -0.22 0.00 0.00 33.01 33.10 2kum s GLN 28 CO 0.35 -0.13 -0.12 0.54 -0.25 0.00 0.00 175.29 175.68 2kum s VAL 29 N -1.25 1.63 0.05 1.09 0.11 -1.26 -0.54 120.40 120.23 2kum s VAL 29 Ca -0.13 -0.89 0.09 0.00 -2.93 0.00 0.00 61.98 58.12 2kum s VAL 29 Cb -0.06 -1.65 -0.03 0.00 -1.53 0.00 0.00 36.38 33.11 2kum s VAL 29 CO 0.02 0.27 -0.24 -1.83 -3.33 0.00 0.00 175.10 169.99 2kum s GLU 30 N 1.42 1.84 -0.34 1.54 -1.05 -0.19 -4.84 118.70 117.07 2kum s GLU 30 Ca 0.01 -1.10 -0.12 0.00 -0.15 0.00 0.00 54.97 53.61 2kum s GLU 30 Cb -0.15 -2.03 -0.01 0.00 -0.44 0.00 0.00 34.13 31.50 2kum s GLU 30 CO -0.09 0.51 0.22 -1.17 0.95 0.00 0.00 175.26 175.69 2kum s LEU 31 N -1.36 4.50 -0.58 1.83 2.96 -1.26 -0.91 118.68 123.85 2kum s LEU 31 Ca 0.13 -0.54 -0.26 0.00 -0.22 0.00 0.00 54.13 53.23 2kum s LEU 31 Cb -0.10 -2.10 0.04 0.00 0.50 0.00 0.00 46.19 44.53 2kum s LEU 31 CO 0.03 -0.26 1.09 -1.58 -1.32 0.00 0.00 176.35 174.31 2kum s GLN 32 N 1.68 3.41 0.48 1.98 0.74 0.12 -4.98 119.66 123.09 2kum s GLN 32 Ca 0.05 -0.03 -0.22 0.00 0.05 0.00 0.00 55.36 55.22 2kum s GLN 32 Cb -0.18 -4.05 -0.07 0.00 1.10 0.00 0.00 33.01 29.81 2kum s GLN 32 CO 0.09 -1.63 1.12 -1.21 -0.55 0.00 0.00 175.29 173.11 2kum s GLU 33 N 4.56 3.69 0.00 1.67 2.02 -1.26 -1.27 118.70 128.12 2kum s GLU 33 Ca 0.37 1.63 0.26 0.00 0.02 0.00 0.00 54.97 57.25 2kum s GLU 33 Cb -0.10 -2.26 1.58 0.00 0.10 0.00 0.00 34.13 33.45 2kum s GLU 33 CO 0.22 -0.57 1.93 0.00 0.02 0.00 0.00 175.26 176.85 2kum n ALA 34 N -0.75 2.49 -3.38 5.21 0.00 -1.25 -2.32 120.51 120.52 2kum n ALA 34 Ca 0.09 -0.16 -0.06 0.00 0.00 0.00 0.00 53.44 53.30 2kum n ALA 34 Cb 0.50 -1.43 -0.07 0.00 0.00 0.00 0.00 19.45 18.45 2kum n ALA 34 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 177.50 177.66 2kum s ASP 35 N -2.00 -0.18 0.00 0.00 -4.77 -1.09 -4.14 116.67 104.49 2kum s ASP 35 Ca 0.40 0.52 0.00 0.00 -3.30 0.00 0.00 52.55 50.16 2kum s ASP 35 Cb 0.18 1.38 0.00 0.00 -1.09 0.00 0.00 42.92 43.39 2kum s ASP 35 CO 0.31 -0.28 0.00 0.61 0.70 0.00 0.00 175.17 176.51 2kum n GLY 36 N 5.38 2.34 0.27 2.12 0.00 -1.26 -4.78 105.19 109.26 2kum n GLY 36 Ca -0.04 -0.67 -0.10 0.00 0.00 0.00 0.00 46.02 45.20 2kum n GLY 36 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 2kum h ASP 37 N 0.00 0.95 -1.14 1.61 3.32 -1.85 -3.48 116.42 115.83 2kum h ASP 37 Ca 0.00 -0.34 0.00 0.00 0.02 0.00 0.00 57.03 56.71 2kum h ASP 37 Cb 0.00 -0.26 0.00 0.00 0.22 0.00 0.00 39.33 39.29 2kum h ASP 37 CO 0.00 1.06 0.00 0.00 -1.72 0.00 0.00 179.24 178.58 2kum n HIS 39 N 0.00 0.11 -4.46 0.00 8.25 -1.26 -2.66 115.22 115.20 2kum n HIS 39 Ca 0.00 0.03 -0.24 0.00 -0.26 0.00 0.00 57.72 57.25 2kum n HIS 39 Cb 0.00 -0.60 -0.10 0.00 1.12 0.00 0.00 29.99 30.41 2kum n HIS 39 CO 0.00 0.00 0.00 -0.48 0.64 0.00 0.00 176.34 176.50 2kum s LEU 40 N -4.72 2.69 -0.12 2.41 2.34 -1.26 -4.62 118.68 115.41 2kum s LEU 40 Ca -0.07 -1.03 -0.06 0.00 0.06 0.00 0.00 54.13 53.02 2kum s LEU 40 Cb 0.13 -1.15 -0.04 0.00 -0.56 0.00 0.00 46.19 44.57 2kum s LEU 40 CO 0.89 -0.03 0.11 -1.58 -1.06 0.00 0.00 176.35 174.68 2kum s GLN 41 N -3.56 3.46 -0.14 1.48 0.74 -1.26 -3.77 119.66 116.62 2kum s GLN 41 Ca 0.31 -0.19 -0.19 0.00 0.05 0.00 0.00 55.36 55.34 2kum s GLN 41 Cb -0.03 -3.15 0.05 0.00 1.10 0.00 0.00 33.01 30.98 2kum s GLN 41 CO 0.16 0.70 0.49 0.00 -0.55 0.00 0.00 175.29 176.09 2kum s ALA 42 N -0.81 -1.22 -0.49 1.58 0.00 -0.39 -4.60 121.76 115.83 2kum s ALA 42 Ca 0.13 1.19 -0.19 0.00 0.00 0.00 0.00 51.96 53.09 2kum s ALA 42 Cb -0.12 -0.55 0.05 0.00 0.00 0.00 0.00 23.12 22.51 2kum s ALA 42 CO 0.03 -0.26 0.63 -0.06 0.00 0.00 0.00 175.76 176.10 2kum s PHE 43 N -0.22 3.05 -0.13 0.00 0.08 0.85 0.14 117.98 121.75 2kum s PHE 43 Ca -0.04 -0.43 -0.05 0.00 0.12 0.00 0.00 56.93 56.53 2kum s PHE 43 Cb -0.03 -3.49 -0.04 0.00 -0.57 0.00 0.00 43.02 38.89 2kum s PHE 43 CO 0.03 -1.00 0.04 0.08 -0.10 0.00 0.00 175.22 174.27 2kum s VAL 44 N 2.69 4.66 -0.18 -0.44 1.01 -0.09 -2.60 120.40 125.45 2kum s VAL 44 Ca 0.17 -0.10 -0.07 0.00 0.00 0.00 0.00 61.98 61.97 2kum s VAL 44 Cb -0.18 -3.03 -0.04 0.00 0.00 0.00 0.00 36.38 33.13 2kum s VAL 44 CO 0.13 0.55 0.07 -0.76 0.00 0.00 0.00 175.10 175.09 2kum s LEU 45 N -0.39 3.87 -0.25 3.92 1.43 0.35 -1.03 118.68 126.59 2kum s LEU 45 Ca 0.09 0.12 -0.04 0.00 -1.03 0.00 0.00 54.13 53.26 2kum s LEU 45 Cb -0.12 -1.98 0.01 0.00 0.03 0.00 0.00 46.19 44.13 2kum s LEU 45 CO 0.02 0.19 -0.01 -2.28 0.23 0.00 0.00 176.35 174.50 2kum s HIS 46 N 0.26 3.05 0.43 0.29 2.46 0.30 -0.70 115.29 121.37 2kum s HIS 46 Ca 0.04 -1.17 0.07 0.00 0.47 0.00 0.00 55.06 54.48 2kum s HIS 46 Cb -0.12 -2.13 0.01 0.00 -0.13 0.00 0.00 32.58 30.21 2kum s HIS 46 CO 0.00 -0.62 0.59 -0.51 -2.47 0.00 0.00 174.74 171.73 2kum s LEU 47 N 1.43 3.63 0.61 8.88 1.02 0.20 -0.50 118.68 133.95 2kum s LEU 47 Ca 0.03 -0.37 0.31 0.00 0.02 0.00 0.00 54.13 54.12 2kum s LEU 47 Cb -0.16 -2.68 1.79 0.00 0.02 0.00 0.00 46.19 45.16 2kum s LEU 47 CO -0.02 -0.79 2.14 0.00 0.02 0.00 0.00 176.35 177.70 2kum h ALA 48 N 0.59 1.61 0.00 4.21 0.00 -1.94 -2.95 119.26 120.77 2kum h ALA 48 Ca -0.40 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.50 2kum h ALA 48 Cb 1.28 0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.08 2kum h ALA 48 CO 0.46 -0.22 0.00 1.04 0.00 0.00 0.00 179.25 180.53 2kum n GLN 49 N -3.61 -0.06 -3.99 0.00 3.00 -1.26 -5.10 117.38 106.36 2kum n GLN 49 Ca 0.00 -0.10 -0.10 0.00 -0.01 0.00 0.00 57.00 56.79 2kum n GLN 49 Cb 0.26 -0.56 -0.12 0.00 0.00 0.00 0.00 30.24 29.83 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 -0.02 0.31 -0.11 -1.09 0.52 -1.12 -5.14 118.95 112.30 2kum s ARG 50 Ca 0.00 -0.53 0.01 0.00 -0.52 0.00 0.00 55.73 54.69 2kum s ARG 50 Cb 0.00 0.00 0.02 0.00 0.52 0.00 0.00 34.95 35.49 2kum s ARG 50 CO 0.00 -0.02 -0.12 -1.12 0.02 0.00 0.00 175.30 174.06 2kum s SER 51 N -1.21 2.30 -0.15 0.23 0.01 -1.26 0.63 113.70 114.24 2kum s SER 51 Ca -0.12 -0.38 -0.01 0.00 1.31 0.00 0.00 55.95 56.75 2kum s SER 51 Cb -0.08 -0.99 -0.01 0.00 0.21 0.00 0.00 66.02 65.15 2kum s SER 51 CO -0.01 -0.04 -0.12 -0.63 0.41 0.00 0.00 173.24 172.86 2kum s ILE 52 N 1.25 3.04 -0.24 1.44 1.01 0.12 -4.87 121.20 122.95 2kum s ILE 52 Ca -0.02 -0.65 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 2kum s ILE 52 Cb -0.14 -2.30 -0.05 0.00 0.01 0.00 0.00 42.46 39.98 2kum s ILE 52 CO -0.05 0.50 0.14 0.00 0.00 0.00 0.00 174.94 175.53 2kum s ILE 54 N 1.12 0.81 0.29 0.00 1.01 -1.07 -0.13 121.20 123.22 2kum s ILE 54 Ca 0.06 -0.35 -0.29 0.00 0.00 0.00 0.00 60.65 60.07 2kum s ILE 54 Cb -0.14 -0.73 -0.10 0.00 0.01 0.00 0.00 42.46 41.50 2kum s ILE 54 CO 0.05 0.26 1.32 -1.38 0.00 0.00 0.00 174.94 175.19 2kum s HIS 55 N 0.36 3.11 0.44 3.97 -3.43 -1.26 -0.11 115.29 118.37 2kum s HIS 55 Ca -0.06 1.32 0.20 0.00 -0.80 0.00 0.00 55.06 55.73 2kum s HIS 55 Cb -0.11 -3.67 1.16 0.00 -1.43 0.00 0.00 32.58 28.54 2kum s HIS 55 CO 0.01 -1.94 1.85 -1.35 -2.00 0.00 0.00 174.74 171.30 2kum h PRO 56 N 4.07 0.32 -2.59 -0.38 0.11 -1.89 -2.84 132.00 128.80 2kum h PRO 56 Ca -0.47 -0.02 -0.59 0.00 0.11 0.00 0.00 66.00 65.03 2kum h PRO 56 Cb 1.22 -0.07 -0.06 0.00 0.11 0.00 0.00 31.00 32.20 2kum h PRO 56 CO 0.70 0.21 2.26 1.04 -0.21 0.00 0.00 178.00 182.00 2kum n GLN 57 N -4.48 3.51 -3.98 1.05 3.00 -1.26 -4.76 117.38 110.47 2kum n GLN 57 Ca 0.20 -2.38 -0.18 0.00 -0.01 0.00 0.00 57.00 54.63 2kum n GLN 57 Cb 0.78 -2.53 -0.16 0.00 0.00 0.00 0.00 30.24 28.33 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 1.38 0.62 0.35 1.08 2.47 -1.07 -5.04 114.94 114.72 2kum s ASN 58 Ca 0.63 -0.05 0.11 0.00 0.42 0.00 0.00 52.86 53.97 2kum s ASN 58 Cb 0.23 -0.29 0.88 0.00 -1.45 0.00 0.00 41.25 40.62 2kum s ASN 58 CO -0.08 -0.10 1.80 -0.65 -3.72 0.00 0.00 177.10 174.36 2kum h PRO 59 N 7.30 0.61 -0.78 0.43 0.11 -1.90 -0.76 132.00 137.00 2kum h PRO 59 Ca -0.40 -0.04 0.05 0.00 0.11 0.00 0.00 66.00 65.72 2kum h PRO 59 Cb 1.14 -0.14 -0.05 0.00 0.11 0.00 0.00 31.00 32.06 2kum h PRO 59 CO 0.46 0.40 0.51 1.03 -0.21 0.00 0.00 178.00 180.19 2kum h SER 60 N 0.63 0.80 0.02 -2.05 0.87 -1.96 0.39 113.55 112.24 2kum h SER 60 Ca 0.54 -0.00 -0.11 0.00 -1.23 0.00 0.00 61.79 60.98 2kum h SER 60 Cb 1.03 -0.18 0.01 0.00 -0.44 0.00 0.00 62.40 62.82 2kum h SER 60 CO -0.30 0.53 -0.45 0.25 -0.53 0.00 0.00 176.83 176.33 2kum h LEU 61 N 0.92 0.37 -0.12 2.23 7.12 -1.48 -0.24 115.31 124.10 2kum h LEU 61 Ca 0.32 -0.81 -0.01 0.00 0.13 0.00 0.00 57.88 57.52 2kum h LEU 61 Cb 0.12 -0.11 -0.01 0.00 -0.53 0.00 0.00 40.66 40.13 2kum h LEU 61 CO -0.10 1.13 0.05 -1.28 -0.13 0.00 0.00 178.44 178.11 2kum h SER 62 N -0.35 0.17 -0.09 1.25 0.87 -1.36 -0.33 113.55 113.70 2kum h SER 62 Ca -0.06 -0.14 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 2kum h SER 62 Cb 1.22 -0.04 -0.01 0.00 -0.44 0.00 0.00 62.40 63.13 2kum h SER 62 CO 0.09 0.26 0.02 1.56 -0.53 0.00 0.00 176.83 178.24 2kum h GLN 63 N 0.06 0.21 -0.21 2.24 4.20 -0.99 -2.05 115.11 118.56 2kum h GLN 63 Ca 0.04 -0.02 -0.16 0.00 0.06 0.00 0.00 58.65 58.57 2kum h GLN 63 Cb 0.15 -0.04 -0.01 0.00 0.30 0.00 0.00 27.48 27.88 2kum h GLN 63 CO -0.00 0.21 -0.51 2.35 -0.67 0.00 0.00 178.83 180.20 2kum h TRP 64 N 0.21 0.72 -0.79 2.96 -0.00 -0.34 -1.38 115.95 117.32 2kum h TRP 64 Ca 0.05 -0.24 0.14 0.00 -0.00 0.00 0.00 58.89 58.84 2kum h TRP 64 Cb 0.11 -0.14 -0.09 0.00 -0.00 0.00 0.00 29.16 29.03 2kum h TRP 64 CO 0.00 0.97 0.37 0.74 -0.00 0.00 0.00 178.44 180.53 2kum h PHE 65 N 0.46 0.65 0.50 2.65 -1.00 -0.33 0.92 116.94 120.78 2kum h PHE 65 Ca 0.02 0.03 -0.02 0.00 2.81 0.00 0.00 57.97 60.81 2kum h PHE 65 Cb 1.05 -0.17 0.00 0.00 3.61 0.00 0.00 35.95 40.44 2kum h PHE 65 CO 0.04 0.14 -0.24 0.93 -1.61 0.00 0.00 178.31 177.58 2kum h GLU 66 N 0.55 -0.64 -0.08 1.51 4.39 -1.42 -2.94 114.58 115.94 2kum h GLU 66 Ca 0.43 0.04 -0.12 0.00 0.34 0.00 0.00 59.36 60.06 2kum h GLU 66 Cb 0.61 0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 29.39 2kum h GLU 66 CO -0.37 -0.34 -0.48 0.45 -1.16 0.00 0.00 179.01 177.12 2kum h HIS 67 N -0.90 0.24 -0.09 4.33 3.86 -0.20 -2.61 115.15 119.79 2kum h HIS 67 Ca -0.07 -0.07 -0.19 0.00 -1.16 0.00 0.00 60.37 58.88 2kum h HIS 67 Cb 0.60 -0.05 -0.00 0.00 1.06 0.00 0.00 27.41 29.01 2kum h HIS 67 CO 0.00 0.64 -0.72 -0.56 0.86 0.00 0.00 177.93 178.15 2kum h GLN 68 N 0.16 0.44 -0.42 2.45 3.07 0.71 -2.48 115.11 119.03 2kum h GLN 68 Ca 0.01 -0.35 0.05 0.00 0.09 0.00 0.00 58.65 58.45 2kum h GLN 68 Cb 0.90 0.07 -0.02 0.00 0.08 0.00 0.00 27.48 28.51 2kum h GLN 68 CO 0.07 0.99 0.28 1.49 0.09 0.00 0.00 178.83 181.75 2kum h GLU 69 N 0.30 0.35 -0.56 0.06 4.81 -1.28 -1.59 114.58 116.67 2kum h GLU 69 Ca -0.03 -0.02 -0.38 0.00 -0.13 0.00 0.00 59.36 58.80 2kum h GLU 69 Cb 1.30 -0.08 -0.25 0.00 0.63 0.00 0.00 28.75 30.35 2kum h GLU 69 CO 0.13 0.23 -0.30 2.89 -0.73 0.00 0.00 179.01 181.23 2kum n ARG 70 N -4.48 2.63 -0.81 1.92 1.85 -1.15 -4.71 116.66 111.91 2kum n ARG 70 Ca 0.05 -3.61 0.00 0.00 -1.00 0.00 0.00 57.85 53.29 2kum n ARG 70 Cb 0.23 -2.04 0.00 0.00 -1.05 0.00 0.00 32.46 29.60 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 -0.93 0.00 -3.71 2.89 4.81 -0.60 -4.97 118.16 115.65 2kum n LYS 71 Ca 0.40 0.00 -0.05 0.00 -0.87 0.00 0.00 58.31 57.79 2kum n LYS 71 Cb 0.92 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.97 2kum n LYS 71 CO 0.00 0.00 0.00 1.47 1.17 0.00 0.00 177.40 180.04 2kum n LEU 72 N 0.00 -0.02 0.00 3.14 -0.00 -1.26 0.23 117.00 119.09 2kum n LEU 72 Ca 0.00 -0.13 0.00 0.00 -0.00 0.00 0.00 56.01 55.88 2kum n LEU 72 Cb 0.00 -0.16 0.00 0.00 -0.00 0.00 0.00 43.42 43.26 2kum n LEU 72 CO 0.00 0.08 0.00 1.41 -0.00 0.00 0.00 177.39 178.88 2kum n HIS 73 N -1.32 0.00 -1.19 1.47 8.25 -1.26 -2.30 115.22 118.86 2kum n HIS 73 Ca -0.01 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 2kum n HIS 73 Cb 0.06 -0.40 -0.00 0.00 1.12 0.00 0.00 29.99 30.77 2kum n HIS 73 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2kum n GLY 74 N -1.86 0.41 3.35 -1.41 0.00 0.13 -5.01 105.19 100.80 2kum n GLY 74 Ca 0.00 -1.03 -0.45 0.00 0.00 0.00 0.00 46.02 44.53 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 -2.02 5.04 0.09 2.61 -4.23 -0.97 -5.01 115.64 111.14 2kum s THR 75 Ca 0.00 -1.19 -0.17 0.00 -1.18 0.00 0.00 61.69 59.15 2kum s THR 75 Cb 0.00 -4.37 0.03 0.00 1.34 0.00 0.00 72.50 69.50 2kum s THR 75 CO 0.00 -0.93 0.40 -0.76 -0.54 0.00 0.00 174.62 172.79 2kum s LEU 76 N 2.09 0.43 0.13 4.79 1.43 -1.26 -4.75 118.68 121.53 2kum s LEU 76 Ca 0.07 -0.19 -0.35 0.00 -1.03 0.00 0.00 54.13 52.64 2kum s LEU 76 Cb -0.26 1.78 -0.16 0.00 0.03 0.00 0.00 46.19 47.57 2kum s LEU 76 CO 0.05 -0.77 1.25 -2.65 0.23 0.00 0.00 176.35 174.46 2kum n PRO 77 N 0.10 1.12 -2.37 1.29 -0.02 -1.26 -4.90 135.00 128.97 2kum n PRO 77 Ca -0.17 0.40 -0.42 0.00 -2.02 0.00 0.00 63.50 61.29 2kum n PRO 77 Cb 0.62 -1.97 0.00 0.00 -0.02 0.00 0.00 33.50 32.13 2kum n PRO 77 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 2kum n LYS 78 N 2.13 4.14 -0.34 -0.52 0.00 -1.26 -4.60 118.16 117.71 2kum n LYS 78 Ca 0.17 -3.74 0.10 0.00 0.00 0.00 0.00 58.31 54.83 2kum n LYS 78 Cb 0.21 -2.75 0.28 0.00 0.00 0.00 0.00 35.03 32.78 2kum n LYS 78 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.40 178.87 2kum n LEU 79 N 2.63 3.75 -2.19 3.14 -0.00 -1.26 -5.02 117.00 118.04 2kum n LEU 79 Ca 0.44 -2.04 -0.04 0.00 -0.00 0.00 0.00 56.01 54.38 2kum n LEU 79 Cb 0.32 -0.43 -0.03 0.00 -0.00 0.00 0.00 43.42 43.28 2kum n LEU 79 CO 0.75 0.91 -0.43 0.59 -0.00 0.00 0.00 177.39 179.21 2kum n ASN 80 N 1.31 -0.85 0.10 1.45 3.02 -1.26 -4.89 115.26 114.13 2kum n ASN 80 Ca 0.21 0.86 0.13 0.00 -0.03 0.00 0.00 54.58 55.75 2kum n ASN 80 Cb 0.59 -3.72 0.44 0.00 -0.61 0.00 0.00 39.78 36.48 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 1.09 0.80 0.83 3.10 3.72 -1.26 -3.11 117.46 122.64 2kum n PHE 81 Ca -0.28 0.25 0.08 0.00 -0.05 0.00 0.00 57.45 57.45 2kum n PHE 81 Cb 0.43 -0.90 0.44 0.00 -0.94 0.00 0.00 39.48 38.51 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 1.09 -0.84 0.00 1.37 0.00 -1.26 -2.18 105.19 103.37 2kum n GLY 82 Ca 0.05 -0.08 0.14 0.00 0.00 0.00 0.00 46.02 46.13 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 -1.27 0.47 0.00 1.61 0.00 -1.18 -3.89 117.12 112.86 2kum n MET 83 Ca 0.08 0.01 0.00 0.00 0.00 0.00 0.00 57.70 57.80 2kum n MET 83 Cb 0.13 -1.50 0.00 0.00 0.00 0.00 0.00 33.22 31.85 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 -1.25 1.33 -4.71 3.17 0.00 -0.98 -4.98 117.00 109.58 2kum n LEU 84 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 56.01 55.82 2kum n LEU 84 Cb 0.21 0.00 0.11 0.00 0.00 0.00 0.00 43.42 43.74 2kum n LEU 84 CO 0.21 0.22 0.78 -0.13 0.00 0.00 0.00 177.39 178.47 2kum s ARG 85 N -1.60 1.91 0.00 1.96 0.52 -0.93 -2.58 118.95 118.24 2kum s ARG 85 Ca 0.00 1.73 0.00 0.00 -0.52 0.00 0.00 55.73 56.94 2kum s ARG 85 Cb 0.00 -1.81 0.00 0.00 0.52 0.00 0.00 34.95 33.66 2kum s ARG 85 CO 0.00 -2.00 0.00 1.63 0.02 0.00 0.00 175.30 174.95 2kum n LYS 86 N -3.02 0.00 0.04 3.54 4.76 -1.26 -4.59 118.16 117.62 2kum n LYS 86 Ca 0.13 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.39 2kum n LYS 86 Cb 0.50 -1.47 -0.14 0.00 -1.84 0.00 0.00 35.03 32.08 2kum n LYS 86 CO 0.00 0.00 0.00 0.52 -1.37 0.00 0.00 177.40 176.55 2kum h MET 87 N 0.45 0.24 0.00 1.97 2.86 -1.85 -3.55 114.93 115.06 2kum h MET 87 Ca 0.00 -0.41 0.00 0.00 -2.06 0.00 0.00 59.70 57.23 2kum h MET 87 Cb 0.00 0.15 0.00 0.00 0.06 0.00 0.00 31.60 31.81 2kum h MET 87 CO 0.00 1.08 0.00 0.41 1.06 0.00 0.00 176.91 179.46