#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 2.27 -0.40 -2.13 2.34 -1.26 -5.09 118.68 114.41 2kum s LEU 2 Ca 0.00 -0.57 -0.29 0.00 0.06 0.00 0.00 54.13 53.34 2kum s LEU 2 Cb 0.00 -1.33 0.02 0.00 -0.56 0.00 0.00 46.19 44.31 2kum s LEU 2 CO 0.00 0.25 1.27 -0.76 -1.06 0.00 0.00 176.35 176.06 2kum s LEU 3 N -1.33 3.69 0.21 1.48 2.01 -1.26 -4.99 118.68 118.49 2kum s LEU 3 Ca 0.12 0.80 -0.32 0.00 0.01 0.00 0.00 54.13 54.75 2kum s LEU 3 Cb -0.10 -3.54 -0.12 0.00 0.01 0.00 0.00 46.19 42.44 2kum s LEU 3 CO 0.03 -1.26 1.69 -2.84 1.01 0.00 0.00 176.35 174.98 2kum s PRO 4 N 4.53 4.14 -0.35 1.29 0.02 -1.26 -3.86 135.00 139.50 2kum s PRO 4 Ca 0.55 2.57 -0.37 0.00 0.02 0.00 0.00 61.00 63.77 2kum s PRO 4 Cb -0.12 -3.08 -0.13 0.00 0.02 0.00 0.00 34.50 31.19 2kum s PRO 4 CO 0.29 -0.72 2.11 -2.30 -0.33 0.00 0.00 177.00 176.05 2kum n PRO 5 N 3.78 0.97 -0.95 5.54 -0.02 -1.26 -0.54 135.00 142.51 2kum n PRO 5 Ca 0.15 0.29 0.00 0.00 -2.02 0.00 0.00 63.50 61.91 2kum n PRO 5 Cb 0.36 -2.28 0.00 0.00 -0.02 0.00 0.00 33.50 31.56 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 8.74 -2.54 -4.46 2.55 7.64 -1.26 -4.93 113.62 119.35 2kum n SER 6 Ca 0.40 0.00 -0.44 0.00 1.01 0.00 0.00 58.87 59.84 2kum n SER 6 Cb 0.18 -1.13 -0.00 0.00 -1.01 0.00 0.00 64.21 62.25 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 -2.21 5.07 -1.06 0.44 2.01 0.29 -4.95 115.64 115.24 2kum s THR 7 Ca 0.00 -2.66 -0.22 0.00 0.31 0.00 0.00 61.69 59.12 2kum s THR 7 Cb 0.00 -4.90 0.03 0.00 0.01 0.00 0.00 72.50 67.64 2kum s THR 7 CO 0.00 -1.60 1.63 0.00 -0.69 0.00 0.00 174.62 173.96 2kum s ALA 8 N 1.46 2.56 -0.17 7.40 0.00 -1.26 -4.62 121.76 127.13 2kum s ALA 8 Ca 0.42 -2.23 0.18 0.00 0.00 0.00 0.00 51.96 50.33 2kum s ALA 8 Cb -0.03 -4.57 0.45 0.00 0.00 0.00 0.00 23.12 18.97 2kum s ALA 8 CO -0.00 -3.90 1.17 0.00 0.00 0.00 0.00 175.76 173.02 2kum n THR 11 N 5.89 0.00 -4.40 0.00 -2.24 -1.26 -4.88 114.28 107.40 2kum n THR 11 Ca 0.17 -0.35 -0.21 0.00 -2.27 0.00 0.00 64.05 61.38 2kum n THR 11 Cb 0.45 1.29 -0.10 0.00 -2.10 0.00 0.00 70.33 69.87 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 -2.08 1.47 0.01 -0.78 1.03 -1.26 -5.16 119.66 112.89 2kum s GLN 12 Ca 0.19 -1.65 0.02 0.00 0.04 0.00 0.00 55.36 53.96 2kum s GLN 12 Cb 0.16 -1.40 -0.01 0.00 0.03 0.00 0.00 33.01 31.79 2kum s GLN 12 CO 0.43 0.25 -0.08 -0.51 -2.54 0.00 0.00 175.29 172.84 2kum s LEU 13 N -3.36 2.08 0.12 2.60 1.43 -1.26 -4.81 118.68 115.49 2kum s LEU 13 Ca 0.25 -0.25 -0.16 0.00 -1.03 0.00 0.00 54.13 52.95 2kum s LEU 13 Cb -0.03 -0.32 -0.02 0.00 0.03 0.00 0.00 46.19 45.85 2kum s LEU 13 CO 0.10 0.01 1.59 0.22 0.23 0.00 0.00 176.35 178.51 2kum h TYR 14 N 5.55 0.68 0.00 0.29 3.20 -0.81 -3.46 116.97 122.42 2kum h TYR 14 Ca -0.31 -0.10 0.00 0.00 3.14 0.00 0.00 58.73 61.46 2kum h TYR 14 Cb 1.19 -0.18 0.00 0.00 1.54 0.00 0.00 36.73 39.28 2kum h TYR 14 CO 0.47 0.69 0.00 0.54 -1.64 0.00 0.00 178.16 178.22 2kum n ARG 15 N -4.53 -1.05 -4.86 1.82 1.74 -1.26 -4.95 116.66 103.57 2kum n ARG 15 Ca -0.01 0.26 -0.26 0.00 -0.77 0.00 0.00 57.85 57.07 2kum n ARG 15 Cb 0.24 -4.25 -0.15 0.00 -1.02 0.00 0.00 32.46 27.27 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 -1.21 1.56 0.16 5.56 -0.14 -1.26 -5.06 119.74 119.35 2kum s LYS 16 Ca 0.00 -0.83 -0.32 0.00 -1.36 0.00 0.00 55.97 53.47 2kum s LYS 16 Cb 0.00 -1.58 -0.10 0.00 -1.68 0.00 0.00 37.83 34.47 2kum s LYS 16 CO 0.00 0.42 1.65 -2.14 -0.76 0.00 0.00 175.35 174.52 2kum s PRO 17 N -0.78 4.18 0.58 -1.68 0.02 -1.26 -4.98 135.00 131.08 2kum s PRO 17 Ca 0.08 2.46 -0.14 0.00 0.02 0.00 0.00 61.00 63.41 2kum s PRO 17 Cb -0.08 -3.23 -0.05 0.00 0.02 0.00 0.00 34.50 31.16 2kum s PRO 17 CO 0.00 -0.69 1.03 -0.51 -0.33 0.00 0.00 177.00 176.50 2kum s LEU 18 N 1.50 3.44 0.21 -5.54 1.43 -1.26 -5.01 118.68 113.44 2kum s LEU 18 Ca 0.73 1.63 -0.30 0.00 -1.03 0.00 0.00 54.13 55.16 2kum s LEU 18 Cb -0.45 -4.51 -0.08 0.00 0.03 0.00 0.00 46.19 41.18 2kum s LEU 18 CO 0.32 -0.94 1.20 -0.44 0.23 0.00 0.00 176.35 176.71 2kum s SER 19 N -3.28 7.08 0.49 2.29 0.01 -1.26 -4.92 113.70 114.11 2kum s SER 19 Ca 0.60 2.27 0.18 0.00 1.31 0.00 0.00 55.95 60.31 2kum s SER 19 Cb -0.13 -2.61 1.20 0.00 0.21 0.00 0.00 66.02 64.69 2kum s SER 19 CO 0.41 -0.36 2.06 -0.78 0.41 0.00 0.00 173.24 174.98 2kum h ASP 20 N 4.97 0.00 -0.08 2.44 3.58 -1.96 0.14 116.42 125.50 2kum h ASP 20 Ca -0.45 0.00 0.00 0.00 0.42 0.00 0.00 57.03 57.00 2kum h ASP 20 Cb 1.21 0.00 -0.00 0.00 1.72 0.00 0.00 39.33 42.26 2kum h ASP 20 CO 0.73 0.12 0.05 0.11 -2.88 0.00 0.00 179.24 177.38 2kum h LYS 21 N 0.00 0.10 0.00 0.28 1.57 -2.00 0.12 116.57 116.63 2kum h LYS 21 Ca -0.00 -0.01 -0.13 0.00 -1.87 0.00 0.00 60.65 58.65 2kum h LYS 21 Cb 0.24 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.51 2kum h LYS 21 CO 0.02 0.07 -0.61 1.37 -0.57 0.00 0.00 179.45 179.73 2kum h LEU 22 N 0.10 0.00 -0.71 2.94 8.10 -1.83 -3.31 115.31 120.59 2kum h LEU 22 Ca 0.03 0.00 -0.11 0.00 0.11 0.00 0.00 57.88 57.90 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 -0.01 0.61 -0.23 0.25 -4.11 0.00 0.00 178.44 174.95 2kum h LEU 23 N 0.00 0.77 0.00 0.17 5.85 -0.14 -1.88 115.31 120.08 2kum h LEU 23 Ca -0.01 -0.28 0.00 0.00 0.84 0.00 0.00 57.88 58.44 2kum h LEU 23 Cb 1.26 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 42.08 2kum h LEU 23 CO 0.08 0.97 0.00 -2.11 -0.34 0.00 0.00 178.44 177.04 2kum n ARG 24 N -4.11 0.14 -0.20 1.25 1.85 -0.03 -0.90 116.66 114.66 2kum n ARG 24 Ca 0.00 0.19 0.09 0.00 -1.00 0.00 0.00 57.85 57.13 2kum n ARG 24 Cb 0.43 -1.50 0.20 0.00 -1.05 0.00 0.00 32.46 30.54 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 -1.28 2.43 -2.84 2.89 5.02 -0.71 -4.29 118.16 119.39 2kum n LYS 25 Ca 0.05 -2.15 -0.41 0.00 -2.02 0.00 0.00 58.31 53.78 2kum n LYS 25 Cb 0.08 -1.40 -0.04 0.00 -0.02 0.00 0.00 35.03 33.65 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 -1.13 4.88 -0.23 -0.18 1.01 -0.08 -2.51 120.40 122.17 2kum s VAL 26 Ca 0.32 1.84 0.07 0.00 0.00 0.00 0.00 61.98 64.21 2kum s VAL 26 Cb 0.18 -4.22 -0.20 0.00 0.00 0.00 0.00 36.38 32.14 2kum s VAL 26 CO 0.24 0.22 -0.07 2.30 0.00 0.00 0.00 175.10 177.79 2kum n ILE 27 N 3.67 1.48 -3.98 2.22 -5.35 0.38 -4.88 119.36 112.89 2kum n ILE 27 Ca 0.03 -0.68 -0.08 0.00 -0.27 0.00 0.00 62.75 61.75 2kum n ILE 27 Cb 0.51 -1.11 -0.09 0.00 -1.74 0.00 0.00 39.64 37.21 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 -2.51 0.63 -0.26 6.28 -1.52 -1.01 -5.02 119.66 116.24 2kum s GLN 28 Ca -0.25 -0.96 -0.04 0.00 -1.95 0.00 0.00 55.36 52.15 2kum s GLN 28 Cb 0.08 0.24 0.01 0.00 -0.22 0.00 0.00 33.01 33.12 2kum s GLN 28 CO 0.69 -0.15 -0.00 0.54 -0.25 0.00 0.00 175.29 176.12 2kum s VAL 29 N -3.28 3.40 -0.27 1.09 0.11 -1.26 -0.64 120.40 119.55 2kum s VAL 29 Ca 0.01 -0.80 -0.07 0.00 -2.93 0.00 0.00 61.98 58.19 2kum s VAL 29 Cb 0.03 -2.71 -0.01 0.00 -1.53 0.00 0.00 36.38 32.16 2kum s VAL 29 CO -0.08 0.19 0.06 -1.83 -3.33 0.00 0.00 175.10 170.11 2kum s GLU 30 N 1.42 3.32 -0.22 1.54 -1.05 0.64 -4.96 118.70 119.39 2kum s GLU 30 Ca 0.02 -0.70 -0.29 0.00 -0.15 0.00 0.00 54.97 53.85 2kum s GLU 30 Cb -0.16 -3.30 -0.00 0.00 -0.44 0.00 0.00 34.13 30.22 2kum s GLU 30 CO -0.01 -0.32 1.20 -1.17 0.95 0.00 0.00 175.26 175.91 2kum s LEU 31 N 1.53 4.08 -0.46 1.83 2.96 -1.26 -1.17 118.68 126.19 2kum s LEU 31 Ca 0.04 1.46 -0.29 0.00 -0.22 0.00 0.00 54.13 55.13 2kum s LEU 31 Cb -0.16 -3.54 0.03 0.00 0.50 0.00 0.00 46.19 43.02 2kum s LEU 31 CO 0.02 -0.82 1.14 -1.58 -1.32 0.00 0.00 176.35 173.79 2kum s GLN 32 N 3.58 3.76 0.37 1.98 0.74 0.14 -4.96 119.66 125.27 2kum s GLN 32 Ca 0.52 0.62 -0.23 0.00 0.05 0.00 0.00 55.36 56.32 2kum s GLN 32 Cb -0.18 -3.89 -0.10 0.00 1.10 0.00 0.00 33.01 29.93 2kum s GLN 32 CO 0.14 -1.34 0.93 -1.21 -0.55 0.00 0.00 175.29 173.26 2kum s GLU 33 N 4.39 4.38 0.00 1.67 2.02 -1.26 -1.43 118.70 128.47 2kum s GLU 33 Ca 0.48 1.18 0.00 0.00 0.02 0.00 0.00 54.97 56.65 2kum s GLU 33 Cb -0.08 -2.50 0.00 0.00 0.10 0.00 0.00 34.13 31.65 2kum s GLU 33 CO 0.30 0.14 0.78 0.00 0.02 0.00 0.00 175.26 176.50 2kum n ALA 34 N -0.02 2.35 -0.07 5.21 0.00 -1.26 -2.98 120.51 123.73 2kum n ALA 34 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.48 2kum n ALA 34 Cb 0.52 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.97 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 0.48 0.00 0.00 0.00 2.03 0.14 -3.65 116.55 115.55 2kum n ASP 35 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 2kum n ASP 35 Cb 0.39 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.79 2kum n ASP 35 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 2kum n GLY 36 N 0.00 -2.33 0.12 0.27 0.00 -1.16 -4.34 105.19 97.75 2kum n GLY 36 Ca 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.81 2kum n GLY 36 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 2kum h ASP 37 N 0.00 0.37 -3.04 1.61 1.82 -1.79 -3.49 116.42 111.90 2kum h ASP 37 Ca 0.00 -0.87 -0.16 0.00 -0.39 0.00 0.00 57.03 55.61 2kum h ASP 37 Cb 0.00 -0.12 -0.04 0.00 0.68 0.00 0.00 39.33 39.86 2kum h ASP 37 CO 0.00 1.52 -0.04 0.00 -1.61 0.00 0.00 179.24 179.10 2kum s HIS 39 N -3.76 2.14 0.05 0.00 -3.43 -1.26 -0.68 115.29 108.35 2kum s HIS 39 Ca 0.18 0.58 0.00 0.00 -0.80 0.00 0.00 55.06 55.02 2kum s HIS 39 Cb -0.01 -3.72 0.00 0.00 -1.43 0.00 0.00 32.58 27.42 2kum s HIS 39 CO 0.13 -2.40 0.00 -0.11 -2.00 0.00 0.00 174.74 170.36 2kum n LEU 40 N -3.69 -2.89 -4.74 5.38 -0.00 -1.24 -4.72 117.00 105.10 2kum n LEU 40 Ca 0.11 0.70 -0.37 0.00 -0.00 0.00 0.00 56.01 56.45 2kum n LEU 40 Cb 0.60 -1.21 -0.07 0.00 -0.00 0.00 0.00 43.42 42.75 2kum n LEU 40 CO 0.52 -0.34 0.06 -1.58 -0.00 0.00 0.00 177.39 176.05 2kum s GLN 41 N -2.67 4.24 0.14 1.96 0.74 -1.26 -4.11 119.66 118.69 2kum s GLN 41 Ca 0.00 0.26 -0.09 0.00 0.05 0.00 0.00 55.36 55.57 2kum s GLN 41 Cb 0.00 -3.40 -0.00 0.00 1.10 0.00 0.00 33.01 30.70 2kum s GLN 41 CO 0.00 0.26 0.26 0.00 -0.55 0.00 0.00 175.29 175.27 2kum s ALA 42 N 0.34 -0.16 -0.41 1.58 0.00 -0.51 -4.64 121.76 117.96 2kum s ALA 42 Ca 0.21 -0.72 -0.07 0.00 0.00 0.00 0.00 51.96 51.38 2kum s ALA 42 Cb -0.14 0.72 0.09 0.00 0.00 0.00 0.00 23.12 23.78 2kum s ALA 42 CO 0.07 -0.60 0.22 -0.06 0.00 0.00 0.00 175.76 175.40 2kum s PHE 43 N -3.92 3.40 -0.19 0.00 0.08 0.16 0.27 117.98 117.78 2kum s PHE 43 Ca 0.12 -1.83 -0.10 0.00 0.12 0.00 0.00 56.93 55.24 2kum s PHE 43 Cb 0.04 -2.99 -0.05 0.00 -0.57 0.00 0.00 43.02 39.45 2kum s PHE 43 CO -0.05 -0.89 0.14 0.08 -0.10 0.00 0.00 175.22 174.41 2kum s VAL 44 N 1.33 5.41 -0.21 -0.44 1.01 -0.32 -2.39 120.40 124.79 2kum s VAL 44 Ca 0.04 0.22 -0.16 0.00 0.00 0.00 0.00 61.98 62.08 2kum s VAL 44 Cb -0.23 -3.48 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 2kum s VAL 44 CO -0.00 0.46 0.40 -0.76 0.00 0.00 0.00 175.10 175.20 2kum s LEU 45 N 0.21 4.14 -0.47 3.92 1.43 -0.24 -0.26 118.68 127.40 2kum s LEU 45 Ca 0.09 0.49 -0.14 0.00 -1.03 0.00 0.00 54.13 53.55 2kum s LEU 45 Cb -0.11 -2.51 0.09 0.00 0.03 0.00 0.00 46.19 43.69 2kum s LEU 45 CO -0.01 -0.10 0.38 -2.28 0.23 0.00 0.00 176.35 174.57 2kum s HIS 46 N 1.45 3.28 0.66 0.29 2.46 0.19 -0.90 115.29 122.72 2kum s HIS 46 Ca 0.19 -1.23 -0.11 0.00 0.47 0.00 0.00 55.06 54.38 2kum s HIS 46 Cb -0.15 -3.28 -0.02 0.00 -0.13 0.00 0.00 32.58 29.01 2kum s HIS 46 CO 0.08 -0.87 1.06 -0.51 -2.47 0.00 0.00 174.74 172.03 2kum s LEU 47 N 1.56 3.09 0.25 8.88 1.02 0.38 -0.47 118.68 133.39 2kum s LEU 47 Ca 0.04 1.30 0.18 0.00 0.02 0.00 0.00 54.13 55.66 2kum s LEU 47 Cb -0.25 -4.24 0.94 0.00 0.02 0.00 0.00 46.19 42.66 2kum s LEU 47 CO 0.04 -1.08 1.55 0.00 0.02 0.00 0.00 176.35 176.88 2kum n ALA 48 N -2.86 1.11 -0.07 4.21 0.00 -1.04 -2.79 120.51 119.07 2kum n ALA 48 Ca 0.06 0.15 -0.11 0.00 0.00 0.00 0.00 53.44 53.55 2kum n ALA 48 Cb 0.55 -1.27 -0.06 0.00 0.00 0.00 0.00 19.45 18.68 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 -2.11 0.32 -3.82 0.00 3.00 -1.26 -5.10 117.38 108.41 2kum n GLN 49 Ca -0.01 0.09 -0.08 0.00 -0.01 0.00 0.00 57.00 57.00 2kum n GLN 49 Cb 0.05 -1.19 -0.02 0.00 0.00 0.00 0.00 30.24 29.08 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 -2.26 1.72 0.21 -1.09 1.04 -1.12 -4.86 118.95 112.60 2kum s ARG 50 Ca -0.18 -0.94 0.08 0.00 -1.04 0.00 0.00 55.73 53.65 2kum s ARG 50 Cb 0.05 0.60 -0.04 0.00 -2.04 0.00 0.00 34.95 33.53 2kum s ARG 50 CO 0.29 -0.78 0.03 -1.12 -0.04 0.00 0.00 175.30 173.67 2kum s SER 51 N -2.90 4.82 0.03 -2.89 0.01 -1.25 -0.47 113.70 111.04 2kum s SER 51 Ca 0.10 -0.45 0.07 0.00 1.31 0.00 0.00 55.95 56.98 2kum s SER 51 Cb -0.05 -1.02 -0.02 0.00 0.21 0.00 0.00 66.02 65.13 2kum s SER 51 CO 0.05 0.04 -0.19 -0.63 0.41 0.00 0.00 173.24 172.92 2kum s ILE 52 N -1.98 1.54 -0.27 1.44 1.01 -0.08 -4.65 121.20 118.21 2kum s ILE 52 Ca 0.30 -1.08 -0.11 0.00 0.00 0.00 0.00 60.65 59.76 2kum s ILE 52 Cb -0.08 -1.33 -0.05 0.00 0.01 0.00 0.00 42.46 41.01 2kum s ILE 52 CO 0.20 0.22 0.18 0.00 0.00 0.00 0.00 174.94 175.55 2kum s ILE 54 N 1.55 1.47 0.14 0.00 1.01 -1.01 -0.01 121.20 124.37 2kum s ILE 54 Ca 0.07 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.31 2kum s ILE 54 Cb -0.15 -1.29 -0.09 0.00 0.01 0.00 0.00 42.46 40.93 2kum s ILE 54 CO 0.09 0.16 1.53 -2.28 0.00 0.00 0.00 174.94 174.44 2kum s HIS 55 N -0.78 3.04 0.29 3.97 5.65 -1.26 -0.67 115.29 125.53 2kum s HIS 55 Ca 0.06 0.68 0.03 0.00 0.25 0.00 0.00 55.06 56.07 2kum s HIS 55 Cb -0.08 -3.87 0.69 0.00 -1.18 0.00 0.00 32.58 28.14 2kum s HIS 55 CO 0.01 -3.20 1.71 -1.35 -0.65 0.00 0.00 174.74 171.26 2kum h PRO 56 N 6.96 0.44 -4.18 2.88 0.11 -1.87 -2.63 132.00 133.71 2kum h PRO 56 Ca -0.42 -0.03 -0.76 0.00 0.11 0.00 0.00 66.00 64.90 2kum h PRO 56 Cb 1.20 -0.10 -0.21 0.00 0.11 0.00 0.00 31.00 32.00 2kum h PRO 56 CO 0.90 0.29 1.09 1.04 -0.21 0.00 0.00 178.00 181.12 2kum n GLN 57 N -5.01 3.50 -3.78 1.05 1.13 -1.26 -4.89 117.38 108.13 2kum n GLN 57 Ca 0.21 -4.06 -0.14 0.00 -1.94 0.00 0.00 57.00 51.07 2kum n GLN 57 Cb 0.61 -2.85 -0.16 0.00 0.11 0.00 0.00 30.24 27.96 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 1.96 0.04 0.42 1.08 2.47 -0.99 -5.05 114.94 114.87 2kum s ASN 58 Ca 0.38 0.06 0.16 0.00 0.42 0.00 0.00 52.86 53.88 2kum s ASN 58 Cb -0.04 -0.04 1.05 0.00 -1.45 0.00 0.00 41.25 40.78 2kum s ASN 58 CO -0.02 -0.11 1.88 -0.65 -3.72 0.00 0.00 177.10 174.47 2kum h PRO 59 N 7.13 0.42 -0.02 0.43 0.11 -1.92 -0.22 132.00 137.93 2kum h PRO 59 Ca -0.43 -0.03 -0.04 0.00 0.11 0.00 0.00 66.00 65.62 2kum h PRO 59 Cb 1.13 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 2kum h PRO 59 CO 0.48 0.28 -0.18 1.03 -0.21 0.00 0.00 178.00 179.40 2kum h SER 60 N 0.43 0.03 0.17 -2.05 0.87 -1.95 0.62 113.55 111.65 2kum h SER 60 Ca 0.44 -0.00 -0.22 0.00 -1.23 0.00 0.00 61.79 60.77 2kum h SER 60 Cb 1.03 -0.01 0.03 0.00 -0.44 0.00 0.00 62.40 63.01 2kum h SER 60 CO -0.16 0.21 -0.95 0.25 -0.53 0.00 0.00 176.83 175.65 2kum h LEU 61 N 0.03 0.55 -0.31 2.23 7.12 -1.38 -1.92 115.31 121.62 2kum h LEU 61 Ca 0.00 -0.95 -0.06 0.00 0.13 0.00 0.00 57.88 57.01 2kum h LEU 61 Cb 0.33 -0.18 -0.01 0.00 -0.53 0.00 0.00 40.66 40.27 2kum h LEU 61 CO 0.02 1.46 -0.02 0.77 -0.13 0.00 0.00 178.44 180.54 2kum h SER 62 N -0.27 0.56 0.03 1.25 4.64 -1.34 -1.99 113.55 116.44 2kum h SER 62 Ca -0.17 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 60.82 2kum h SER 62 Cb 1.75 -0.15 -0.00 0.00 -0.31 0.00 0.00 62.40 63.69 2kum h SER 62 CO 0.18 0.75 -0.02 1.56 -0.87 0.00 0.00 176.83 178.43 2kum h GLN 63 N 0.36 0.00 -0.36 4.77 4.20 -0.97 -2.19 115.11 120.92 2kum h GLN 63 Ca 0.09 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.79 2kum h GLN 63 Cb 0.48 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.24 2kum h GLN 63 CO 0.02 0.02 0.19 2.35 -0.67 0.00 0.00 178.83 180.75 2kum h TRP 64 N 0.00 0.49 -0.93 2.96 -0.00 -0.58 0.48 115.95 118.37 2kum h TRP 64 Ca -0.00 -0.01 0.14 0.00 -0.00 0.00 0.00 58.89 59.02 2kum h TRP 64 Cb 0.05 -0.16 -0.09 0.00 -0.00 0.00 0.00 29.16 28.96 2kum h TRP 64 CO 0.00 0.39 0.55 0.74 -0.00 0.00 0.00 178.44 180.11 2kum h PHE 65 N 0.45 0.98 0.02 2.65 0.04 -1.15 0.74 116.94 120.66 2kum h PHE 65 Ca 0.13 0.03 -0.26 0.00 2.80 0.00 0.00 57.97 60.67 2kum h PHE 65 Cb 0.06 -0.29 0.02 0.00 2.20 0.00 0.00 35.95 37.93 2kum h PHE 65 CO -0.03 0.31 -1.05 0.93 -0.60 0.00 0.00 178.31 177.87 2kum h GLU 66 N 0.80 0.62 -0.14 1.51 5.08 -1.37 -2.84 114.58 118.24 2kum h GLU 66 Ca 0.49 -0.69 -0.07 0.00 -1.00 0.00 0.00 59.36 58.09 2kum h GLU 66 Cb 0.62 0.20 -0.00 0.00 0.50 0.00 0.00 28.75 30.07 2kum h GLU 66 CO -0.32 1.28 -0.19 0.45 -1.00 0.00 0.00 179.01 179.23 2kum h HIS 67 N 0.34 0.47 0.00 4.33 3.86 0.11 -2.99 115.15 121.27 2kum h HIS 67 Ca -0.13 -0.15 -0.05 0.00 -1.16 0.00 0.00 60.37 58.88 2kum h HIS 67 Cb 1.70 -0.09 -0.01 0.00 1.06 0.00 0.00 27.41 30.07 2kum h HIS 67 CO 0.09 0.80 -0.26 -0.56 0.86 0.00 0.00 177.93 178.87 2kum h GLN 68 N 0.00 0.00 -0.60 2.45 3.07 0.32 -0.56 115.11 119.79 2kum h GLN 68 Ca 0.02 0.00 0.06 0.00 0.09 0.00 0.00 58.65 58.82 2kum h GLN 68 Cb 0.74 0.00 -0.04 0.00 0.08 0.00 0.00 27.48 28.27 2kum h GLN 68 CO 0.04 0.26 0.40 1.49 0.09 0.00 0.00 178.83 181.12 2kum h GLU 69 N 0.00 0.55 -0.25 0.06 4.57 -1.36 -2.23 114.58 115.92 2kum h GLU 69 Ca -0.00 -0.03 -0.11 0.00 -1.18 0.00 0.00 59.36 58.03 2kum h GLU 69 Cb 0.47 -0.13 -0.07 0.00 -0.16 0.00 0.00 28.75 28.87 2kum h GLU 69 CO 0.03 0.37 -0.12 2.89 -1.18 0.00 0.00 179.01 181.00 2kum n ARG 70 N -4.48 1.93 0.00 1.92 1.85 -0.35 -4.87 116.66 112.66 2kum n ARG 70 Ca 0.09 -3.10 0.00 0.00 -1.00 0.00 0.00 57.85 53.84 2kum n ARG 70 Cb 0.24 -1.77 0.00 0.00 -1.05 0.00 0.00 32.46 29.89 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 -1.05 0.00 0.00 2.89 4.81 -0.43 -5.03 118.16 119.35 2kum n LYS 71 Ca 0.28 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.72 2kum n LYS 71 Cb 0.93 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.98 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 -0.34 3.14 4.32 -1.26 -2.53 117.00 120.32 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 0.21 1.57 -1.22 0.00 0.00 177.39 177.95 2kum n HIS 73 N 0.00 0.00 -0.40 -1.77 -0.00 -1.26 -4.97 115.22 106.82 2kum n HIS 73 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 2kum n HIS 73 Cb 0.00 0.11 0.00 0.00 -0.12 0.00 0.00 29.99 29.98 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 2.03 3.57 1.57 0.00 -1.05 -4.97 105.19 106.35 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 -3.26 3.93 0.04 2.61 -4.23 -1.26 -4.98 115.64 108.50 2kum s THR 75 Ca 0.00 0.78 -0.05 0.00 -1.18 0.00 0.00 61.69 61.24 2kum s THR 75 Cb 0.00 -4.74 -0.01 0.00 1.34 0.00 0.00 72.50 69.09 2kum s THR 75 CO 0.00 -1.43 0.09 -0.76 -0.54 0.00 0.00 174.62 171.98 2kum s LEU 76 N 5.23 1.84 0.00 4.79 1.43 -1.26 -5.06 118.68 125.64 2kum s LEU 76 Ca 0.42 -0.58 0.00 0.00 -1.03 0.00 0.00 54.13 52.94 2kum s LEU 76 Cb -0.08 0.59 0.00 0.00 0.03 0.00 0.00 46.19 46.73 2kum s LEU 76 CO 0.23 -0.53 0.00 -0.81 0.23 0.00 0.00 176.35 175.47 2kum n PRO 77 N 0.67 0.57 -3.10 1.29 -0.04 -1.26 -5.02 135.00 128.11 2kum n PRO 77 Ca -0.18 0.00 -0.45 0.00 -0.04 0.00 0.00 63.50 62.83 2kum n PRO 77 Cb 0.59 0.00 -0.02 0.00 -0.04 0.00 0.00 33.50 34.03 2kum n PRO 77 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 2kum s LYS 78 N -2.42 3.64 -0.27 0.54 -0.14 -1.26 -5.01 119.74 114.83 2kum s LYS 78 Ca 0.00 -2.12 -0.13 0.00 -1.36 0.00 0.00 55.97 52.36 2kum s LYS 78 Cb 0.00 -4.72 -0.04 0.00 -1.68 0.00 0.00 37.83 31.39 2kum s LYS 78 CO 0.00 -1.57 0.30 -0.51 -0.76 0.00 0.00 175.35 172.81 2kum s LEU 79 N 1.52 4.04 0.00 3.17 1.43 -1.26 -4.93 118.68 122.65 2kum s LEU 79 Ca 0.27 0.18 0.00 0.00 -1.03 0.00 0.00 54.13 53.56 2kum s LEU 79 Cb -0.07 -2.30 0.00 0.00 0.03 0.00 0.00 46.19 43.85 2kum s LEU 79 CO -0.09 -0.11 0.59 -0.46 0.23 0.00 0.00 176.35 176.51 2kum n ASN 80 N 5.12 1.47 -1.49 2.29 6.94 -1.26 -3.88 115.26 124.45 2kum n ASN 80 Ca -0.11 -1.76 0.10 0.00 -0.02 0.00 0.00 54.58 52.79 2kum n ASN 80 Cb 0.51 -0.44 0.34 0.00 -2.36 0.00 0.00 39.78 37.83 2kum n ASN 80 CO 0.00 0.00 0.00 0.49 -1.03 0.00 0.00 177.26 176.72 2kum n PHE 81 N 0.23 1.31 0.43 -2.53 3.01 -1.26 -4.07 117.46 114.57 2kum n PHE 81 Ca 0.00 -0.55 0.09 0.00 1.01 0.00 0.00 57.45 58.01 2kum n PHE 81 Cb 0.29 -0.17 0.39 0.00 -0.01 0.00 0.00 39.48 39.99 2kum n PHE 81 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2kum n GLY 82 N 1.26 -1.11 0.00 1.37 0.00 -1.25 -2.12 105.19 103.34 2kum n GLY 82 Ca 0.25 0.02 0.05 0.00 0.00 0.00 0.00 46.02 46.34 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 -1.87 0.03 0.00 1.61 0.00 -1.26 -1.65 117.12 113.98 2kum n MET 83 Ca 0.03 0.31 0.14 0.00 0.00 0.00 0.00 57.70 58.18 2kum n MET 83 Cb 0.19 -1.50 0.63 0.00 0.00 0.00 0.00 33.22 32.54 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 -1.46 0.84 -4.00 3.17 4.77 -0.90 -3.91 117.00 115.50 2kum n LEU 84 Ca 0.03 -0.23 -0.42 0.00 -0.03 0.00 0.00 56.01 55.36 2kum n LEU 84 Cb 0.11 -0.06 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 2kum n LEU 84 CO 0.09 0.14 2.41 0.54 -1.33 0.00 0.00 177.39 179.24 2kum n ARG 85 N -0.47 2.84 -1.22 3.23 1.74 -0.66 -4.31 116.66 117.80 2kum n ARG 85 Ca 0.18 -2.75 -0.08 0.00 -0.77 0.00 0.00 57.85 54.43 2kum n ARG 85 Cb 0.28 -3.34 -0.03 0.00 -1.02 0.00 0.00 32.46 28.34 2kum n ARG 85 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 2kum n LYS 86 N 6.91 -1.36 0.09 5.56 4.76 -1.26 -4.79 118.16 128.06 2kum n LYS 86 Ca 0.51 0.71 0.12 0.00 -2.87 0.00 0.00 58.31 56.78 2kum n LYS 86 Cb 0.41 -4.90 0.03 0.00 -1.84 0.00 0.00 35.03 28.74 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 -1.12 0.53 0.00 1.97 2.81 -1.25 -5.22 117.12 114.84 2kum n MET 87 Ca -0.08 0.10 0.13 0.00 -1.81 0.00 0.00 57.70 56.05 2kum n MET 87 Cb 0.46 -1.78 0.33 0.00 -0.71 0.00 0.00 33.22 31.52 2kum n MET 87 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89