#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2klg h GLN 2 N 0.00 0.00 -4.87 3.17 7.50 -1.90 -3.48 115.11 115.53 2klg h GLN 2 Ca 0.00 0.00 -0.44 0.00 0.50 0.00 0.00 58.65 58.71 2klg h GLN 2 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 27.48 27.39 2klg h GLN 2 CO 0.00 0.00 -0.52 0.96 -1.50 0.00 0.00 178.83 177.77 2klg s ILE 3 N -3.20 0.09 -0.34 2.54 -4.36 -1.26 -3.94 121.20 110.72 2klg s ILE 3 Ca 0.06 -2.00 0.03 0.00 -0.26 0.00 0.00 60.65 58.48 2klg s ILE 3 Cb 0.10 -2.48 0.10 0.00 1.25 0.00 0.00 42.46 41.43 2klg s ILE 3 CO 0.70 0.00 0.05 -0.36 0.24 0.00 0.00 174.94 175.57 2klg s PHE 4 N -3.55 3.68 0.11 1.37 0.08 -1.26 -4.87 117.98 113.53 2klg s PHE 4 Ca 0.38 -2.82 0.08 0.00 0.12 0.00 0.00 56.93 54.69 2klg s PHE 4 Cb 0.03 -2.85 -0.04 0.00 -0.57 0.00 0.00 43.02 39.60 2klg s PHE 4 CO 0.23 -0.94 -0.15 0.08 -0.10 0.00 0.00 175.22 174.34 2klg s VAL 5 N 0.96 3.04 -0.16 -0.44 1.01 -1.26 -4.50 120.40 119.06 2klg s VAL 5 Ca 0.08 -1.39 -0.05 0.00 0.00 0.00 0.00 61.98 60.62 2klg s VAL 5 Cb -0.20 -2.40 -0.03 0.00 0.00 0.00 0.00 36.38 33.75 2klg s VAL 5 CO -0.07 0.12 0.00 -0.54 0.00 0.00 0.00 175.10 174.62 2klg s LYS 6 N -2.11 3.74 0.00 2.72 -0.14 -1.26 -4.48 119.74 118.21 2klg s LYS 6 Ca 0.19 -0.45 0.00 0.00 -1.36 0.00 0.00 55.97 54.35 2klg s LYS 6 Cb -0.11 -3.02 0.00 0.00 -1.68 0.00 0.00 37.83 33.03 2klg s LYS 6 CO 0.11 0.29 0.00 0.25 -0.76 0.00 0.00 175.35 175.24 2klg n THR 7 N 3.42 0.00 -0.13 2.17 -2.24 -1.24 -4.59 114.28 111.67 2klg n THR 7 Ca -0.17 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.50 2klg n THR 7 Cb 0.52 -1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 67.71 2klg n THR 7 CO 0.00 0.00 0.00 0.17 -0.57 0.00 0.00 175.07 174.67 2klg h LEU 8 N 0.00 0.70 -3.89 3.22 -0.00 -1.92 -3.20 115.31 110.22 2klg h LEU 8 Ca 0.00 -0.34 -0.61 0.00 -0.00 0.00 0.00 57.88 56.93 2klg h LEU 8 Cb 0.00 -0.19 -0.37 0.00 -0.00 0.00 0.00 40.66 40.10 2klg h LEU 8 CO 0.00 0.88 -0.07 0.35 -0.00 0.00 0.00 178.44 179.59 2klg n THR 9 N -4.41 3.01 -3.82 0.15 -2.24 -1.26 -4.91 114.28 100.80 2klg n THR 9 Ca -0.01 -3.69 -0.28 0.00 -2.27 0.00 0.00 64.05 57.79 2klg n THR 9 Cb 0.32 -1.15 0.04 0.00 -2.10 0.00 0.00 70.33 67.44 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2klg n GLY 10 N -0.79 -0.51 3.90 3.38 0.00 -1.21 -4.97 105.19 104.99 2klg n GLY 10 Ca 0.52 0.21 -0.28 0.00 0.00 0.00 0.00 46.02 46.47 2klg n GLY 10 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 11 N -6.54 3.11 -0.24 1.61 2.36 -1.26 -4.82 119.74 113.96 2klg s LYS 11 Ca 0.65 0.25 -0.09 0.00 -2.55 0.00 0.00 55.97 54.23 2klg s LYS 11 Cb -0.31 -2.20 -0.04 0.00 -1.05 0.00 0.00 37.83 34.22 2klg s LYS 11 CO 0.80 -0.68 0.11 0.95 1.55 0.00 0.00 175.35 178.09 2klg s THR 12 N -3.06 4.84 0.12 3.43 -4.23 -1.26 -3.63 115.64 111.84 2klg s THR 12 Ca 0.54 0.00 0.08 0.00 -1.18 0.00 0.00 61.69 61.14 2klg s THR 12 Cb -0.11 -3.26 -0.04 0.00 1.34 0.00 0.00 72.50 70.44 2klg s THR 12 CO 0.48 0.34 -0.20 0.27 -0.54 0.00 0.00 174.62 174.97 2klg s ILE 13 N 1.32 1.75 -0.17 2.99 -4.36 -1.26 -5.10 121.20 116.37 2klg s ILE 13 Ca 0.06 -1.65 -0.06 0.00 -0.26 0.00 0.00 60.65 58.74 2klg s ILE 13 Cb -0.15 -1.65 -0.04 0.00 1.25 0.00 0.00 42.46 41.88 2klg s ILE 13 CO 0.05 -0.13 0.02 -0.89 0.24 0.00 0.00 174.94 174.23 2klg s THR 14 N -1.41 4.45 -0.03 8.37 2.01 -1.26 -4.54 115.64 123.22 2klg s THR 14 Ca 0.09 -0.16 0.01 0.00 0.31 0.00 0.00 61.69 61.94 2klg s THR 14 Cb -0.09 -2.98 0.03 0.00 0.01 0.00 0.00 72.50 69.47 2klg s THR 14 CO 0.05 0.48 -0.00 -0.22 -0.69 0.00 0.00 174.62 174.24 2klg s LEU 15 N 0.29 1.22 0.51 4.42 0.20 -1.26 -5.03 118.68 119.02 2klg s LEU 15 Ca 0.01 -0.03 0.09 0.00 0.69 0.00 0.00 54.13 54.88 2klg s LEU 15 Cb -0.13 -0.23 0.05 0.00 -0.43 0.00 0.00 46.19 45.45 2klg s LEU 15 CO 0.01 -0.09 0.67 -1.61 -0.29 0.00 0.00 176.35 175.04 2klg s GLU 16 N 0.96 2.50 -0.21 1.98 2.02 -1.26 -4.38 118.70 120.30 2klg s GLU 16 Ca -0.10 -1.52 -0.02 0.00 0.02 0.00 0.00 54.97 53.36 2klg s GLU 16 Cb -0.13 -2.64 0.06 0.00 0.10 0.00 0.00 34.13 31.52 2klg s GLU 16 CO -0.01 -0.60 0.03 0.08 0.02 0.00 0.00 175.26 174.77 2klg s VAL 17 N -2.55 0.73 0.22 2.63 1.01 -1.26 -4.98 120.40 116.20 2klg s VAL 17 Ca 0.57 -0.76 0.07 0.00 0.00 0.00 0.00 61.98 61.86 2klg s VAL 17 Cb -0.07 -1.23 -0.04 0.00 0.00 0.00 0.00 36.38 35.05 2klg s VAL 17 CO 0.35 -0.24 0.14 -1.83 0.00 0.00 0.00 175.10 173.52 2klg s GLU 18 N 1.76 2.80 0.19 2.72 1.03 -1.26 -4.74 118.70 121.19 2klg s GLU 18 Ca -0.01 -1.05 -0.20 0.00 0.03 0.00 0.00 54.97 53.74 2klg s GLU 18 Cb -0.17 -2.52 0.14 0.00 -0.80 0.00 0.00 34.13 30.77 2klg s GLU 18 CO -0.09 0.42 1.60 -1.00 -1.33 0.00 0.00 175.26 174.85 2klg h PRO 19 N 1.88 -0.14 -1.54 -4.83 0.13 -2.02 -0.29 132.00 125.19 2klg h PRO 19 Ca -0.48 0.01 -0.37 0.00 -0.87 0.00 0.00 66.00 64.29 2klg h PRO 19 Cb 1.23 0.03 -0.15 0.00 0.13 0.00 0.00 31.00 32.24 2klg h PRO 19 CO 0.61 -0.10 0.45 -1.13 -0.23 0.00 0.00 178.00 177.60 2klg n SER 20 N -5.43 6.57 -4.56 1.44 3.41 -1.26 -4.86 113.62 108.93 2klg n SER 20 Ca 0.04 -3.14 -0.36 0.00 -0.26 0.00 0.00 58.87 55.15 2klg n SER 20 Cb 0.35 -1.07 -0.04 0.00 -0.26 0.00 0.00 64.21 63.19 2klg n SER 20 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2klg s ASP 21 N 0.05 5.73 -0.08 4.04 -1.08 -0.12 -4.97 116.67 120.25 2klg s ASP 21 Ca 0.37 -0.55 -0.25 0.00 -0.52 0.00 0.00 52.55 51.60 2klg s ASP 21 Cb 0.28 -2.55 -0.03 0.00 -1.46 0.00 0.00 42.92 39.15 2klg s ASP 21 CO -0.03 -2.15 0.77 0.42 0.52 0.00 0.00 175.17 174.70 2klg s THR 22 N 7.61 4.99 0.39 1.71 -4.23 -1.26 -1.65 115.64 123.19 2klg s THR 22 Ca 0.56 1.57 0.08 0.00 -1.18 0.00 0.00 61.69 62.72 2klg s THR 22 Cb -0.07 -4.10 0.30 0.00 1.34 0.00 0.00 72.50 69.97 2klg s THR 22 CO 0.06 0.19 1.99 0.40 -0.54 0.00 0.00 174.62 176.72 2klg h ILE 23 N 4.85 1.01 -0.25 2.99 2.04 -0.09 0.24 117.51 128.30 2klg h ILE 23 Ca -0.39 -0.21 -0.16 0.00 1.00 0.00 0.00 64.86 65.10 2klg h ILE 23 Cb 1.19 0.34 0.00 0.00 -0.74 0.00 0.00 36.82 37.61 2klg h ILE 23 CO 0.77 0.11 -0.48 -0.33 0.00 0.00 0.00 178.15 178.22 2klg h GLU 24 N 0.62 0.77 -0.15 2.37 4.39 -1.74 -2.29 114.58 118.55 2klg h GLU 24 Ca 0.26 -0.49 -0.18 0.00 0.34 0.00 0.00 59.36 59.29 2klg h GLU 24 Cb 0.26 0.06 0.01 0.00 -0.10 0.00 0.00 28.75 28.97 2klg h GLU 24 CO -0.08 1.12 -0.60 -0.91 -1.16 0.00 0.00 179.01 177.38 2klg h ASN 25 N 0.52 0.78 -0.41 1.42 4.21 -1.75 -3.23 115.58 117.13 2klg h ASN 25 Ca 0.01 -0.62 -0.05 0.00 1.21 0.00 0.00 56.30 56.85 2klg h ASN 25 Cb 1.09 -0.23 -0.02 0.00 -1.12 0.00 0.00 38.32 38.03 2klg h ASN 25 CO 0.11 1.27 0.09 1.62 -1.29 0.00 0.00 177.43 179.23 2klg h VAL 26 N 0.34 1.22 -0.92 2.81 3.04 -0.60 -2.72 116.25 119.42 2klg h VAL 26 Ca -0.03 -0.80 0.09 0.00 -1.01 0.00 0.00 66.70 64.95 2klg h VAL 26 Cb 1.23 0.75 -0.07 0.00 -2.01 0.00 0.00 31.29 31.19 2klg h VAL 26 CO 0.13 0.29 0.56 0.50 -1.01 0.00 0.00 177.57 178.04 2klg h LYS 27 N 0.71 0.93 -0.60 4.17 3.11 -1.42 -0.87 116.57 122.60 2klg h LYS 27 Ca 0.16 -0.06 0.06 0.00 -2.81 0.00 0.00 60.65 58.00 2klg h LYS 27 Cb 0.30 -0.21 -0.03 0.00 -1.00 0.00 0.00 32.23 31.29 2klg h LYS 27 CO 0.00 0.62 0.39 0.00 -2.81 0.00 0.00 179.45 177.65 2klg h ALA 28 N 1.47 1.80 -0.54 5.00 0.00 -1.53 -1.57 119.26 123.88 2klg h ALA 28 Ca 0.43 -0.02 -0.04 0.00 0.00 0.00 0.00 54.91 55.28 2klg h ALA 28 Cb 0.32 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 2klg h ALA 28 CO -0.22 0.11 0.19 0.87 0.00 0.00 0.00 179.25 180.20 2klg h LYS 29 N 0.60 0.82 -0.04 0.00 1.57 -1.21 0.17 116.57 118.48 2klg h LYS 29 Ca 0.25 -0.16 -0.01 0.00 -1.87 0.00 0.00 60.65 58.86 2klg h LYS 29 Cb 0.24 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 2klg h LYS 29 CO -0.07 0.74 -0.00 0.82 -0.57 0.00 0.00 179.45 180.36 2klg h ILE 30 N 0.73 1.26 0.00 1.86 2.04 -1.25 -2.91 117.51 119.24 2klg h ILE 30 Ca 0.18 -0.79 -0.03 0.00 1.00 0.00 0.00 64.86 65.21 2klg h ILE 30 Cb 0.24 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 38.03 2klg h ILE 30 CO -0.01 0.21 -0.15 -0.61 0.00 0.00 0.00 178.15 177.59 2klg h GLN 31 N -0.24 0.00 -0.91 2.37 5.75 -1.24 -2.86 115.11 117.99 2klg h GLN 31 Ca 0.01 0.00 0.25 0.00 -0.15 0.00 0.00 58.65 58.76 2klg h GLN 31 Cb 0.34 0.00 -0.04 0.00 1.07 0.00 0.00 27.48 28.85 2klg h GLN 31 CO 0.00 0.15 0.64 0.22 -2.65 0.00 0.00 178.83 177.20 2klg h ASP 32 N 0.00 0.10 1.34 -0.69 3.58 -0.44 0.34 116.42 120.64 2klg h ASP 32 Ca -0.00 0.01 -0.09 0.00 0.42 0.00 0.00 57.03 57.37 2klg h ASP 32 Cb 0.38 -0.00 -0.01 0.00 1.72 0.00 0.00 39.33 41.41 2klg h ASP 32 CO 0.02 0.03 -0.43 0.07 -2.88 0.00 0.00 179.24 176.06 2klg h LYS 33 N 0.09 0.00 -2.11 0.28 2.10 -1.63 -3.48 116.57 111.83 2klg h LYS 33 Ca 0.44 0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.90 2klg h LYS 33 Cb 1.61 0.00 0.02 0.00 -0.90 0.00 0.00 32.23 32.96 2klg h LYS 33 CO -0.05 0.43 -0.28 0.39 -2.00 0.00 0.00 179.45 177.94 2klg n GLU 34 N -3.29 -1.90 0.01 0.07 1.02 0.12 -4.95 120.64 111.72 2klg n GLU 34 Ca 0.01 0.45 -0.22 0.00 -0.02 0.00 0.00 57.16 57.39 2klg n GLU 34 Cb 0.65 -4.37 -0.14 0.00 -0.02 0.00 0.00 31.44 27.57 2klg n GLU 34 CO 0.00 0.00 0.00 0.78 1.18 0.00 0.00 177.13 179.09 2klg h GLY 35 N -0.48 0.32 -7.08 0.62 0.00 -1.81 -3.44 103.07 91.20 2klg h GLY 35 Ca -0.25 -0.81 -0.63 0.00 0.00 0.00 0.00 47.33 45.64 2klg h GLY 35 CO 0.27 0.71 0.29 -0.42 0.00 0.00 0.00 176.54 177.39 2klg s ILE 36 N -2.56 4.70 0.16 2.60 1.01 -1.26 -4.81 121.20 121.04 2klg s ILE 36 Ca -0.22 0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.62 2klg s ILE 36 Cb 0.06 -4.29 0.03 0.00 0.01 0.00 0.00 42.46 38.27 2klg s ILE 36 CO 0.78 -0.68 1.77 -0.65 0.00 0.00 0.00 174.94 176.15 2klg h PRO 37 N 8.95 0.36 -6.17 2.79 0.11 -1.97 -3.41 132.00 132.66 2klg h PRO 37 Ca -0.25 -0.02 -0.56 0.00 0.11 0.00 0.00 66.00 65.27 2klg h PRO 37 Cb 1.09 -0.08 -0.04 0.00 0.11 0.00 0.00 31.00 32.08 2klg h PRO 37 CO 0.94 0.24 0.92 -1.25 -0.21 0.00 0.00 178.00 178.65 2klg s PRO 38 N -6.15 4.23 0.50 1.05 0.04 -1.26 -4.90 135.00 128.51 2klg s PRO 38 Ca -0.13 1.74 0.33 0.00 0.04 0.00 0.00 61.00 62.97 2klg s PRO 38 Cb 0.12 -3.79 1.41 0.00 0.04 0.00 0.00 34.50 32.28 2klg s PRO 38 CO 0.72 -0.72 1.97 0.22 0.04 0.00 0.00 177.00 179.23 2klg h ASP 39 N 8.36 0.00 -0.65 6.66 1.82 -1.90 -2.93 116.42 127.78 2klg h ASP 39 Ca -0.28 0.00 -0.38 0.00 -0.39 0.00 0.00 57.03 55.98 2klg h ASP 39 Cb 1.12 0.00 -0.20 0.00 0.68 0.00 0.00 39.33 40.93 2klg h ASP 39 CO 0.96 0.00 0.49 0.00 -1.61 0.00 0.00 179.24 179.08 2klg n GLN 40 N -2.90 1.93 -2.71 0.28 6.02 -1.26 -4.91 117.38 113.82 2klg n GLN 40 Ca 0.00 -2.03 -0.43 0.00 -0.01 0.00 0.00 57.00 54.53 2klg n GLN 40 Cb 0.26 -1.80 -0.03 0.00 1.02 0.00 0.00 30.24 29.69 2klg n GLN 40 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 2klg s GLN 41 N -2.28 3.74 0.33 -1.09 2.00 -1.11 -4.85 119.66 116.39 2klg s GLN 41 Ca 0.39 0.52 0.07 0.00 -2.00 0.00 0.00 55.36 54.34 2klg s GLN 41 Cb 0.32 -3.87 -0.03 0.00 0.80 0.00 0.00 33.01 30.23 2klg s GLN 41 CO 0.04 -1.18 0.27 -0.98 -0.50 0.00 0.00 175.29 172.93 2klg s ARG 42 N 3.94 1.74 0.40 1.67 1.70 -1.26 -4.92 118.95 122.21 2klg s ARG 42 Ca 0.42 -2.01 0.05 0.00 -0.47 0.00 0.00 55.73 53.73 2klg s ARG 42 Cb -0.10 0.29 0.00 0.00 -0.57 0.00 0.00 34.95 34.58 2klg s ARG 42 CO 0.25 -0.63 0.56 -0.48 -1.08 0.00 0.00 175.30 173.93 2klg s LEU 43 N -3.37 3.77 -0.70 -1.89 2.34 -1.26 -1.85 118.68 115.72 2klg s LEU 43 Ca 0.40 -0.11 -0.05 0.00 0.06 0.00 0.00 54.13 54.43 2klg s LEU 43 Cb 0.03 -2.84 0.18 0.00 -0.56 0.00 0.00 46.19 43.00 2klg s LEU 43 CO 0.27 -0.63 0.55 -0.51 -1.06 0.00 0.00 176.35 174.97 2klg s ILE 44 N -2.35 4.22 -0.24 1.48 2.07 -0.99 -4.74 121.20 120.64 2klg s ILE 44 Ca 0.49 -2.97 -0.02 0.00 -1.41 0.00 0.00 60.65 56.74 2klg s ILE 44 Cb -0.10 -3.69 0.13 0.00 0.13 0.00 0.00 42.46 38.93 2klg s ILE 44 CO 0.34 -0.94 0.37 0.12 -1.91 0.00 0.00 174.94 172.92 2klg s PHE 45 N -0.18 -0.79 -1.53 3.50 2.19 -1.26 -4.90 117.98 115.01 2klg s PHE 45 Ca 0.18 0.73 -0.03 0.00 0.33 0.00 0.00 56.93 58.15 2klg s PHE 45 Cb -0.17 -0.03 0.00 0.00 -1.31 0.00 0.00 43.02 41.52 2klg s PHE 45 CO -0.05 -0.73 0.41 0.00 1.83 0.00 0.00 175.22 176.67 2klg n ALA 46 N 5.36 -0.82 -4.14 11.12 0.00 -1.26 -2.75 120.51 128.02 2klg n ALA 46 Ca -0.03 0.24 -0.32 0.00 0.00 0.00 0.00 53.44 53.33 2klg n ALA 46 Cb 0.50 -3.24 -0.04 0.00 0.00 0.00 0.00 19.45 16.67 2klg n ALA 46 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2klg n GLY 47 N -1.35 -0.31 3.69 0.00 0.00 -1.26 -4.93 105.19 101.03 2klg n GLY 47 Ca -0.14 0.14 -0.35 0.00 0.00 0.00 0.00 46.02 45.67 2klg n GLY 47 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2klg s LYS 48 N -6.85 4.11 0.41 1.61 2.47 -1.11 -5.10 119.74 115.28 2klg s LYS 48 Ca 0.36 -0.27 -0.05 0.00 -1.56 0.00 0.00 55.97 54.45 2klg s LYS 48 Cb -0.20 -3.34 -0.04 0.00 -1.46 0.00 0.00 37.83 32.79 2klg s LYS 48 CO 0.93 0.29 0.70 -0.65 0.16 0.00 0.00 175.35 176.78 2klg s GLN 49 N 0.37 3.59 0.09 4.03 -0.21 -1.26 -4.70 119.66 121.56 2klg s GLN 49 Ca 0.06 0.12 -0.04 0.00 0.02 0.00 0.00 55.36 55.52 2klg s GLN 49 Cb -0.12 -2.47 -0.24 0.00 1.00 0.00 0.00 33.01 31.18 2klg s GLN 49 CO -0.01 -0.05 1.18 -0.07 -2.12 0.00 0.00 175.29 174.22 2klg h LEU 50 N 0.73 0.42 -0.01 2.90 4.07 -1.93 -3.23 115.31 118.27 2klg h LEU 50 Ca -0.48 -0.43 0.00 0.00 0.08 0.00 0.00 57.88 57.06 2klg h LEU 50 Cb 1.20 -0.14 0.00 0.00 1.08 0.00 0.00 40.66 42.81 2klg h LEU 50 CO 0.63 1.31 0.00 -1.84 -1.08 0.00 0.00 178.44 177.46 2klg n GLU 51 N -3.57 0.02 -0.31 1.13 0.28 -1.26 -3.62 120.64 113.32 2klg n GLU 51 Ca -0.08 0.05 0.14 0.00 -0.16 0.00 0.00 57.16 57.11 2klg n GLU 51 Cb 0.98 -1.53 0.32 0.00 1.43 0.00 0.00 31.44 32.64 2klg n GLU 51 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 177.13 176.53 2klg h ASP 52 N 0.00 0.27 -0.27 -1.84 3.32 -1.96 -3.46 116.42 112.48 2klg h ASP 52 Ca 0.00 0.17 0.00 0.00 0.02 0.00 0.00 57.03 57.22 2klg h ASP 52 Cb 0.50 0.16 0.00 0.00 0.22 0.00 0.00 39.33 40.21 2klg h ASP 52 CO 0.00 -0.05 0.00 0.61 -1.72 0.00 0.00 179.24 178.08 2klg n GLY 53 N -1.34 1.09 3.91 2.75 0.00 -1.25 -5.03 105.19 105.32 2klg n GLY 53 Ca 0.23 -0.26 -0.23 0.00 0.00 0.00 0.00 46.02 45.76 2klg n GLY 53 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 2klg s ARG 54 N -1.88 2.38 -0.15 1.61 6.06 -1.26 -4.85 118.95 120.86 2klg s ARG 54 Ca 0.00 -1.76 -0.09 0.00 -2.50 0.00 0.00 55.73 51.38 2klg s ARG 54 Cb 0.00 -2.30 -0.05 0.00 0.06 0.00 0.00 34.95 32.67 2klg s ARG 54 CO 0.00 -0.48 0.17 0.99 -2.50 0.00 0.00 175.30 173.48 2klg s THR 55 N -2.63 5.42 0.34 4.11 2.01 -1.26 0.65 115.64 124.28 2klg s THR 55 Ca 0.44 0.28 0.09 0.00 0.31 0.00 0.00 61.69 62.81 2klg s THR 55 Cb -0.03 -3.47 0.32 0.00 0.01 0.00 0.00 72.50 69.34 2klg s THR 55 CO 0.27 0.53 1.82 -0.07 -0.69 0.00 0.00 174.62 176.47 2klg h LEU 56 N 5.77 0.68 -1.73 4.42 3.38 -1.62 0.12 115.31 126.32 2klg h LEU 56 Ca -0.48 0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.54 2klg h LEU 56 Cb 1.19 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 41.88 2klg h LEU 56 CO 0.67 0.28 0.02 -1.28 0.09 0.00 0.00 178.44 178.22 2klg h SER 57 N 0.68 0.17 -0.92 -0.43 0.87 -1.80 0.13 113.55 112.24 2klg h SER 57 Ca 0.52 -0.01 0.15 0.00 -1.23 0.00 0.00 61.79 61.22 2klg h SER 57 Cb 0.91 -0.04 -0.08 0.00 -0.44 0.00 0.00 62.40 62.75 2klg h SER 57 CO -0.28 0.19 0.59 0.44 -0.53 0.00 0.00 176.83 177.24 2klg h ASP 58 N 0.19 0.70 -0.88 6.23 3.32 -1.13 -0.61 116.42 124.24 2klg h ASP 58 Ca 0.05 0.05 -0.53 0.00 0.02 0.00 0.00 57.03 56.62 2klg h ASP 58 Cb 0.10 -0.09 -0.28 0.00 0.22 0.00 0.00 39.33 39.28 2klg h ASP 58 CO -0.00 0.34 0.50 -1.22 -1.72 0.00 0.00 179.24 177.15 2klg n TYR 59 N -4.59 2.79 -2.23 4.55 4.02 -0.96 -4.89 117.16 115.85 2klg n TYR 59 Ca 0.18 -2.26 -0.16 0.00 -0.01 0.00 0.00 57.90 55.65 2klg n TYR 59 Cb 0.47 -1.01 -0.02 0.00 -0.02 0.00 0.00 39.34 38.76 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 176.86 174.14 2klg n ASN 60 N -1.03 -4.56 -4.07 7.72 2.85 -0.24 -4.87 115.26 111.06 2klg n ASN 60 Ca 0.56 0.17 -0.43 0.00 -0.11 0.00 0.00 54.58 54.77 2klg n ASN 60 Cb 1.16 -3.89 0.00 0.00 1.24 0.00 0.00 39.78 38.29 2klg n ASN 60 CO 0.00 0.00 0.00 -0.38 -2.11 0.00 0.00 177.26 174.77 2klg n ILE 61 N -3.31 4.32 -2.75 -1.44 5.41 -0.01 -4.98 119.36 116.61 2klg n ILE 61 Ca -0.18 -4.51 -0.22 0.00 1.00 0.00 0.00 62.75 58.84 2klg n ILE 61 Cb 0.61 -2.39 0.09 0.00 -0.71 0.00 0.00 39.64 37.24 2klg n ILE 61 CO 0.00 0.00 0.00 -1.10 0.00 0.00 0.00 176.55 175.45 2klg s GLN 62 N 0.79 1.92 0.50 0.38 -1.52 -1.26 -4.14 119.66 116.32 2klg s GLN 62 Ca 0.41 -1.29 -0.21 0.00 -1.95 0.00 0.00 55.36 52.32 2klg s GLN 62 Cb 0.05 -2.45 -0.10 0.00 -0.22 0.00 0.00 33.01 30.30 2klg s GLN 62 CO 0.00 -1.22 0.72 1.63 -0.25 0.00 0.00 175.29 176.17 2klg n LYS 63 N -2.61 0.80 -1.56 2.91 5.02 -1.26 -1.58 118.16 119.87 2klg n LYS 63 Ca 0.15 0.30 -0.17 0.00 -2.02 0.00 0.00 58.31 56.57 2klg n LYS 63 Cb 0.61 -1.81 -0.07 0.00 -0.02 0.00 0.00 35.03 33.74 2klg n LYS 63 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 2klg n GLU 64 N 0.02 -1.21 -1.59 1.97 2.13 -1.25 -4.99 120.64 115.72 2klg n GLU 64 Ca 0.11 1.08 -0.30 0.00 0.66 0.00 0.00 57.16 58.72 2klg n GLU 64 Cb 0.43 -5.33 0.20 0.00 0.27 0.00 0.00 31.44 27.01 2klg n GLU 64 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 2klg s SER 65 N -2.78 2.43 -1.01 4.31 0.01 -0.62 -4.99 113.70 111.06 2klg s SER 65 Ca 0.00 0.49 -0.09 0.00 1.31 0.00 0.00 55.95 57.66 2klg s SER 65 Cb 0.00 -0.68 0.25 0.00 0.21 0.00 0.00 66.02 65.80 2klg s SER 65 CO 0.00 -3.17 0.97 0.28 0.41 0.00 0.00 173.24 171.73 2klg s THR 66 N -3.50 5.68 -0.43 1.44 -1.32 -1.26 -4.64 115.64 111.60 2klg s THR 66 Ca 0.71 -3.23 -0.16 0.00 -1.21 0.00 0.00 61.69 57.81 2klg s THR 66 Cb -0.07 -4.45 0.03 0.00 -1.51 0.00 0.00 72.50 66.50 2klg s THR 66 CO 0.54 -1.13 0.37 -0.22 -2.21 0.00 0.00 174.62 171.97 2klg s LEU 67 N -0.89 5.17 -0.21 9.08 0.20 -1.26 -5.05 118.68 125.71 2klg s LEU 67 Ca 0.27 -0.95 -0.06 0.00 0.69 0.00 0.00 54.13 54.08 2klg s LEU 67 Cb -0.10 -2.23 -0.03 0.00 -0.43 0.00 0.00 46.19 43.40 2klg s LEU 67 CO -0.09 -0.55 0.03 -1.00 -0.29 0.00 0.00 176.35 174.45 2klg s HIS 68 N 1.83 3.08 0.16 5.38 3.76 -1.26 -4.44 115.29 123.80 2klg s HIS 68 Ca 0.07 -0.36 -0.07 0.00 -0.15 0.00 0.00 55.06 54.55 2klg s HIS 68 Cb -0.20 -2.12 -0.06 0.00 1.11 0.00 0.00 32.58 31.31 2klg s HIS 68 CO 0.10 -0.21 0.43 -0.51 -0.85 0.00 0.00 174.74 173.71 2klg s LEU 69 N 1.05 4.25 -0.03 0.89 1.02 -1.26 -2.34 118.68 122.26 2klg s LEU 69 Ca 0.03 0.72 -0.01 0.00 0.02 0.00 0.00 54.13 54.88 2klg s LEU 69 Cb -0.14 -3.38 -0.04 0.00 0.02 0.00 0.00 46.19 42.65 2klg s LEU 69 CO 0.02 0.03 0.08 -0.69 0.02 0.00 0.00 176.35 175.81 2klg s VAL 70 N -1.67 4.78 -1.15 -1.59 1.01 -0.77 -4.84 120.40 116.17 2klg s VAL 70 Ca 0.42 -0.31 -0.21 0.00 0.00 0.00 0.00 61.98 61.88 2klg s VAL 70 Cb -0.12 -3.15 0.04 0.00 0.00 0.00 0.00 36.38 33.15 2klg s VAL 70 CO 0.23 0.41 1.64 -0.76 0.00 0.00 0.00 175.10 176.62 2klg s LEU 71 N -1.55 3.60 -1.24 3.92 1.43 -1.26 -4.57 118.68 119.02 2klg s LEU 71 Ca 0.21 -1.87 -0.05 0.00 -1.03 0.00 0.00 54.13 51.39 2klg s LEU 71 Cb -0.12 -2.58 0.18 0.00 0.03 0.00 0.00 46.19 43.71 2klg s LEU 71 CO 0.11 -1.53 2.11 0.54 0.23 0.00 0.00 176.35 177.82 2klg n ARG 72 N 8.63 4.61 -0.01 1.70 5.12 -1.26 -4.69 116.66 130.76 2klg n ARG 72 Ca 0.41 -3.81 0.10 0.00 -1.93 0.00 0.00 57.85 52.62 2klg n ARG 72 Cb 0.48 -2.64 0.56 0.00 -1.16 0.00 0.00 32.46 29.71 2klg n ARG 72 CO 0.00 0.00 0.00 1.47 -1.93 0.00 0.00 177.63 177.17 2klg n LEU 73 N 1.67 0.13 -4.74 0.55 -0.00 -1.26 -4.59 117.00 108.77 2klg n LEU 73 Ca 0.52 -0.05 -0.41 0.00 -0.00 0.00 0.00 56.01 56.07 2klg n LEU 73 Cb 0.28 -0.01 -0.05 0.00 -0.00 0.00 0.00 43.42 43.64 2klg n LEU 73 CO 0.68 0.03 0.68 0.00 -0.00 0.00 0.00 177.39 178.77 2klg s ARG 74 N -1.98 4.74 0.00 1.47 1.70 -1.26 -4.70 118.95 118.91 2klg s ARG 74 Ca 0.29 1.50 0.00 0.00 -0.47 0.00 0.00 55.73 57.05 2klg s ARG 74 Cb 0.14 -3.33 0.00 0.00 -0.57 0.00 0.00 34.95 31.18 2klg s ARG 74 CO 0.23 0.30 0.00 0.41 -1.08 0.00 0.00 175.30 175.15 2klg n GLY 75 N 1.97 0.14 0.02 3.88 0.00 -1.26 -5.02 105.19 104.92 2klg n GLY 75 Ca 0.01 -0.60 0.16 0.00 0.00 0.00 0.00 46.02 45.58 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93