#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 0.40 -4.63 3.17 1.08 -1.94 -3.47 115.11 109.71 2klg h GLN 2 Ca 0.00 -0.68 -0.25 0.00 -1.45 0.00 0.00 58.65 56.26 2klg h GLN 2 Cb 0.00 0.25 -0.15 0.00 -0.05 0.00 0.00 27.48 27.54 2klg h GLN 2 CO 0.00 1.32 -0.63 0.42 -0.95 0.00 0.00 178.83 178.99 2klg s ILE 3 N -2.58 0.16 -0.32 2.54 1.01 -1.26 0.12 121.20 120.86 2klg s ILE 3 Ca -0.15 -1.98 0.02 0.00 0.00 0.00 0.00 60.65 58.54 2klg s ILE 3 Cb 0.05 -2.44 0.09 0.00 0.01 0.00 0.00 42.46 40.17 2klg s ILE 3 CO 0.86 -0.10 0.02 -0.36 0.00 0.00 0.00 174.94 175.37 2klg s PHE 4 N -4.04 3.56 0.12 3.97 0.08 -1.26 -4.80 117.98 115.60 2klg s PHE 4 Ca 0.36 -2.62 0.06 0.00 0.12 0.00 0.00 56.93 54.84 2klg s PHE 4 Cb 0.07 -2.61 -0.04 0.00 -0.57 0.00 0.00 43.02 39.88 2klg s PHE 4 CO 0.10 -0.92 -0.14 0.08 -0.10 0.00 0.00 175.22 174.24 2klg s VAL 5 N 1.02 1.31 0.13 -0.44 1.01 -1.26 -4.17 120.40 118.01 2klg s VAL 5 Ca 0.03 -1.69 0.05 0.00 0.00 0.00 0.00 61.98 60.37 2klg s VAL 5 Cb -0.20 -1.50 -0.04 0.00 0.00 0.00 0.00 36.38 34.64 2klg s VAL 5 CO -0.06 -0.41 0.08 -0.54 0.00 0.00 0.00 175.10 174.18 2klg s LYS 6 N -2.61 2.78 0.00 2.72 1.02 -1.26 -4.08 119.74 118.31 2klg s LYS 6 Ca 0.08 -0.85 0.00 0.00 0.02 0.00 0.00 55.97 55.22 2klg s LYS 6 Cb -0.05 -2.61 0.00 0.00 -0.52 0.00 0.00 37.83 34.65 2klg s LYS 6 CO 0.03 0.51 0.00 2.41 -0.92 0.00 0.00 175.35 177.38 2klg n THR 7 N 0.02 0.00 -0.21 2.17 -1.04 -1.26 -4.84 114.28 109.12 2klg n THR 7 Ca -0.09 0.00 -0.08 0.00 -2.04 0.00 0.00 64.05 61.84 2klg n THR 7 Cb 0.54 0.00 0.02 0.00 -1.82 0.00 0.00 70.33 69.07 2klg n THR 7 CO 0.00 0.00 0.00 0.17 -0.64 0.00 0.00 175.07 174.60 2klg h LEU 8 N 0.00 0.91 0.00 -4.42 -0.00 -1.98 -3.41 115.31 106.41 2klg h LEU 8 Ca 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 57.88 57.64 2klg h LEU 8 Cb 0.00 -0.24 0.00 0.00 -0.00 0.00 0.00 40.66 40.42 2klg h LEU 8 CO 0.00 0.92 -0.22 0.41 -0.00 0.00 0.00 178.44 179.55 2klg n THR 9 N -4.34 0.69 0.00 0.15 -1.04 -1.26 -4.77 114.28 103.70 2klg n THR 9 Ca 0.03 0.26 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 2klg n THR 9 Cb 0.25 -1.57 0.00 0.00 -1.82 0.00 0.00 70.33 67.19 2klg n THR 9 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2klg n GLY 10 N 2.63 0.00 3.83 3.41 0.00 -1.26 -5.08 105.19 108.71 2klg n GLY 10 Ca -0.03 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.72 2klg n GLY 10 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 2klg n LYS 11 N 0.00 -0.86 -3.61 1.61 4.81 -1.26 -4.87 118.16 113.98 2klg n LYS 11 Ca 0.00 -2.27 -0.39 0.00 -0.87 0.00 0.00 58.31 54.77 2klg n LYS 11 Cb 0.00 -1.10 -0.11 0.00 0.02 0.00 0.00 35.03 33.84 2klg n LYS 11 CO 0.00 0.00 0.00 -0.08 1.17 0.00 0.00 177.40 178.49 2klg s THR 12 N -3.58 4.80 -0.04 3.15 -1.32 -1.26 -4.24 115.64 113.14 2klg s THR 12 Ca 0.71 -0.44 0.05 0.00 -1.21 0.00 0.00 61.69 60.81 2klg s THR 12 Cb -0.03 -3.49 -0.01 0.00 -1.51 0.00 0.00 72.50 67.46 2klg s THR 12 CO 0.49 -0.01 -0.20 -0.51 -2.21 0.00 0.00 174.62 172.18 2klg s ILE 13 N 1.64 1.68 0.39 5.08 2.07 -1.26 -5.08 121.20 125.71 2klg s ILE 13 Ca 0.05 -0.86 0.08 0.00 -1.41 0.00 0.00 60.65 58.50 2klg s ILE 13 Cb -0.17 -1.42 -0.02 0.00 0.13 0.00 0.00 42.46 40.97 2klg s ILE 13 CO 0.08 0.47 0.36 0.28 -1.91 0.00 0.00 174.94 174.22 2klg s THR 14 N -0.13 3.01 -0.43 4.00 -1.32 -1.26 -4.21 115.64 115.30 2klg s THR 14 Ca -0.01 -1.32 0.02 0.00 -1.21 0.00 0.00 61.69 59.16 2klg s THR 14 Cb -0.12 -3.07 0.15 0.00 -1.51 0.00 0.00 72.50 67.95 2klg s THR 14 CO 0.02 -0.06 0.27 -0.22 -2.21 0.00 0.00 174.62 172.41 2klg s LEU 15 N -4.10 2.07 -0.70 9.08 1.98 -1.26 -4.98 118.68 120.76 2klg s LEU 15 Ca 0.46 -2.66 -0.14 0.00 -2.89 0.00 0.00 54.13 48.90 2klg s LEU 15 Cb -0.05 -0.76 0.18 0.00 0.66 0.00 0.00 46.19 46.22 2klg s LEU 15 CO 0.28 -0.25 0.64 -1.61 -1.89 0.00 0.00 176.35 173.52 2klg s GLU 16 N 0.39 3.29 0.35 1.98 8.01 -1.26 -4.84 118.70 126.61 2klg s GLU 16 Ca 0.21 -2.18 0.03 0.00 0.01 0.00 0.00 54.97 53.04 2klg s GLU 16 Cb -0.17 -4.32 -0.04 0.00 -4.31 0.00 0.00 34.13 25.29 2klg s GLU 16 CO -0.05 -1.29 0.12 0.14 0.01 0.00 0.00 175.26 174.19 2klg s VAL 17 N 0.68 0.66 0.37 2.63 -7.23 -1.26 -5.14 120.40 111.12 2klg s VAL 17 Ca 0.12 -2.00 0.04 0.00 -1.81 0.00 0.00 61.98 58.33 2klg s VAL 17 Cb -0.18 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.23 2klg s VAL 17 CO -0.04 0.00 0.55 -1.61 -0.31 0.00 0.00 175.10 173.68 2klg s GLU 18 N -3.81 3.14 0.29 4.82 8.01 -1.26 -5.00 118.70 124.89 2klg s GLU 18 Ca 0.31 -0.75 -0.03 0.00 0.01 0.00 0.00 54.97 54.51 2klg s GLU 18 Cb 0.05 -2.71 0.41 0.00 -4.31 0.00 0.00 34.13 27.56 2klg s GLU 18 CO 0.15 -0.04 1.95 -1.00 0.01 0.00 0.00 175.26 176.34 2klg h PRO 19 N 0.71 1.11 0.00 0.39 0.13 -2.02 -2.26 132.00 130.06 2klg h PRO 19 Ca -0.47 -0.08 -0.09 0.00 -0.87 0.00 0.00 66.00 64.50 2klg h PRO 19 Cb 1.25 -0.25 -0.01 0.00 0.13 0.00 0.00 31.00 32.12 2klg h PRO 19 CO 0.56 0.75 -0.41 0.66 -0.23 0.00 0.00 178.00 179.33 2klg h SER 20 N 1.14 0.00 -2.52 1.44 4.64 -2.05 -3.45 113.55 112.75 2klg h SER 20 Ca 0.31 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 61.08 2klg h SER 20 Cb -0.11 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 61.98 2klg h SER 20 CO -0.06 0.41 1.16 -1.81 -0.87 0.00 0.00 176.83 175.65 2klg s ASP 21 N -6.40 6.50 0.82 4.97 1.11 -0.85 -4.99 116.67 117.83 2klg s ASP 21 Ca 0.04 2.28 -0.05 0.00 0.18 0.00 0.00 52.55 54.99 2klg s ASP 21 Cb 0.08 -2.53 0.11 0.00 1.07 0.00 0.00 42.92 41.64 2klg s ASP 21 CO 0.72 -1.06 0.66 0.35 1.18 0.00 0.00 175.17 177.03 2klg n THR 22 N 5.73 0.00 -0.28 -1.27 -2.24 -1.26 -4.68 114.28 110.28 2klg n THR 22 Ca 0.19 -0.68 -0.06 0.00 -2.27 0.00 0.00 64.05 61.23 2klg n THR 22 Cb 0.43 -1.47 0.06 0.00 -2.10 0.00 0.00 70.33 67.25 2klg n THR 22 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2klg h ILE 23 N -1.04 1.26 -0.76 2.28 2.04 -1.53 -2.81 117.51 116.94 2klg h ILE 23 Ca -0.22 -0.79 0.13 0.00 1.00 0.00 0.00 64.86 64.99 2klg h ILE 23 Cb 0.67 0.34 -0.09 0.00 -0.74 0.00 0.00 36.82 37.00 2klg h ILE 23 CO 0.18 0.32 0.33 -0.33 0.00 0.00 0.00 178.15 178.65 2klg h GLU 24 N 1.11 0.48 -0.39 2.37 4.39 -1.82 0.62 114.58 121.33 2klg h GLU 24 Ca 0.26 -0.03 -0.04 0.00 0.34 0.00 0.00 59.36 59.89 2klg h GLU 24 Cb 0.20 -0.11 -0.02 0.00 -0.10 0.00 0.00 28.75 28.72 2klg h GLU 24 CO -0.02 0.32 0.08 -0.97 -1.16 0.00 0.00 179.01 177.26 2klg h ASN 25 N 0.49 0.54 0.89 1.42 -0.73 -1.87 -1.68 115.58 114.65 2klg h ASN 25 Ca 0.41 -0.08 0.00 0.00 1.87 0.00 0.00 56.30 58.50 2klg h ASN 25 Cb 0.59 -0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.04 2klg h ASN 25 CO -0.37 0.55 0.00 0.52 -0.37 0.00 0.00 177.43 177.76 2klg n VAL 26 N -4.32 0.69 -0.33 2.57 0.31 0.15 -3.41 118.33 113.98 2klg n VAL 26 Ca 0.02 0.08 0.07 0.00 -0.01 0.00 0.00 64.34 64.50 2klg n VAL 26 Cb 0.20 -0.89 0.26 0.00 -0.91 0.00 0.00 33.84 32.50 2klg n VAL 26 CO 0.00 0.00 0.00 0.11 -1.32 0.00 0.00 176.83 175.62 2klg h LYS 27 N 0.00 0.94 -0.39 5.55 1.79 -0.62 0.61 116.57 124.46 2klg h LYS 27 Ca 0.00 -0.06 -0.10 0.00 -2.18 0.00 0.00 60.65 58.32 2klg h LYS 27 Cb 0.45 -0.21 -0.01 0.00 -1.58 0.00 0.00 32.23 30.87 2klg h LYS 27 CO 0.00 0.62 -0.14 0.00 -1.08 0.00 0.00 179.45 178.86 2klg h ALA 28 N 1.53 0.54 -0.09 3.86 0.00 -1.74 -0.71 119.26 122.67 2klg h ALA 28 Ca 0.46 -0.34 -0.24 0.00 0.00 0.00 0.00 54.91 54.78 2klg h ALA 28 Cb 0.43 -0.14 0.02 0.00 0.00 0.00 0.00 17.79 18.10 2klg h ALA 28 CO -0.22 0.44 -0.90 0.87 0.00 0.00 0.00 179.25 179.45 2klg h LYS 29 N 0.58 0.76 0.00 0.00 1.57 -1.53 -3.25 116.57 114.71 2klg h LYS 29 Ca 0.09 -0.71 -0.05 0.00 -1.87 0.00 0.00 60.65 58.11 2klg h LYS 29 Cb 0.67 0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.15 2klg h LYS 29 CO 0.05 1.29 -0.26 0.97 -0.57 0.00 0.00 179.45 180.93 2klg h ILE 30 N 0.48 0.55 -0.14 1.86 2.10 0.18 -3.40 117.51 119.14 2klg h ILE 30 Ca -0.09 -1.35 -0.39 0.00 1.08 0.00 0.00 64.86 64.12 2klg h ILE 30 Cb 1.54 1.94 0.04 0.00 -1.09 0.00 0.00 36.82 39.25 2klg h ILE 30 CO 0.18 0.25 1.16 0.00 -1.08 0.00 0.00 178.15 178.66 2klg n GLN 31 N -3.31 0.79 0.11 2.19 10.64 -0.27 -4.73 117.38 122.80 2klg n GLN 31 Ca 0.01 -1.77 -0.04 0.00 -1.83 0.00 0.00 57.00 53.37 2klg n GLN 31 Cb 0.51 -3.30 -0.02 0.00 -0.86 0.00 0.00 30.24 26.57 2klg n GLN 31 CO 0.00 0.00 0.00 0.22 -1.83 0.00 0.00 177.06 175.45 2klg h ASP 32 N 9.87 -0.24 0.00 2.61 3.58 -1.88 -3.43 116.42 126.93 2klg h ASP 32 Ca 0.22 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.68 2klg h ASP 32 Cb 0.83 0.06 0.00 0.00 1.72 0.00 0.00 39.33 41.94 2klg h ASP 32 CO 1.54 -0.17 0.00 2.29 -2.88 0.00 0.00 179.24 180.02 2klg n LYS 33 N -2.77 0.00 -1.96 0.28 0.00 -1.26 -5.03 118.16 107.42 2klg n LYS 33 Ca -0.04 0.00 -0.01 0.00 -0.00 0.00 0.00 58.31 58.26 2klg n LYS 33 Cb 0.11 -0.13 -0.00 0.00 -0.00 0.00 0.00 35.03 35.01 2klg n LYS 33 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 2klg n GLU 34 N -0.29 0.11 -1.40 -1.58 0.00 -1.26 -5.02 120.64 111.19 2klg n GLU 34 Ca 0.00 -0.27 -0.02 0.00 0.00 0.00 0.00 57.16 56.87 2klg n GLU 34 Cb 0.00 0.02 -0.02 0.00 0.00 0.00 0.00 31.44 31.45 2klg n GLU 34 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2klg n GLY 35 N -0.26 0.87 0.03 -1.84 0.00 -1.26 -4.99 105.19 97.74 2klg n GLY 35 Ca -0.11 -0.40 -0.02 0.00 0.00 0.00 0.00 46.02 45.49 2klg n GLY 35 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 2klg h ILE 36 N 5.74 0.00 -0.94 -0.61 5.03 -1.95 -3.38 117.51 121.41 2klg h ILE 36 Ca -0.41 -0.45 0.18 0.00 -0.12 0.00 0.00 64.86 64.06 2klg h ILE 36 Cb 1.59 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 35.20 2klg h ILE 36 CO -0.11 0.00 -0.27 -2.65 -0.68 0.00 0.00 178.15 174.44 2klg n PRO 37 N -3.30 -0.12 -0.97 2.37 -0.01 -1.26 -3.78 135.00 127.92 2klg n PRO 37 Ca -0.03 1.46 -0.37 0.00 -0.01 0.00 0.00 63.50 64.55 2klg n PRO 37 Cb 0.10 -2.17 0.05 0.00 -0.01 0.00 0.00 33.50 31.47 2klg n PRO 37 CO 0.00 0.00 0.00 -2.30 -0.01 0.00 0.00 175.50 173.19 2klg n PRO 38 N -5.49 -0.09 0.00 0.52 -0.02 -1.26 -4.78 135.00 123.89 2klg n PRO 38 Ca 0.14 -0.02 0.06 0.00 -2.02 0.00 0.00 63.50 61.65 2klg n PRO 38 Cb 0.44 -1.09 0.36 0.00 -0.02 0.00 0.00 33.50 33.20 2klg n PRO 38 CO 0.00 0.00 0.00 -3.47 1.98 0.00 0.00 175.50 174.01 2klg n ASP 39 N 2.96 0.00 0.09 2.55 2.03 -1.26 -2.73 116.55 120.19 2klg n ASP 39 Ca -0.01 -0.59 0.08 0.00 0.52 0.00 0.00 54.79 54.79 2klg n ASP 39 Cb 0.63 0.00 -0.02 0.00 -0.72 0.00 0.00 41.12 41.01 2klg n ASP 39 CO 0.00 0.00 0.00 1.56 -1.92 0.00 0.00 177.20 176.84 2klg h GLN 40 N 0.00 0.00 -5.26 -0.67 4.20 -1.86 -3.44 115.11 108.08 2klg h GLN 40 Ca 0.00 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 58.05 2klg h GLN 40 Cb 0.00 0.00 -0.16 0.00 0.30 0.00 0.00 27.48 27.62 2klg h GLN 40 CO 0.00 0.09 0.04 -1.14 -0.67 0.00 0.00 178.83 177.15 2klg s GLN 41 N -3.23 3.23 0.08 1.46 2.00 -1.11 -4.81 119.66 117.28 2klg s GLN 41 Ca -0.01 -0.48 -0.04 0.00 -2.00 0.00 0.00 55.36 52.84 2klg s GLN 41 Cb 0.09 -3.96 -0.03 0.00 0.80 0.00 0.00 33.01 29.92 2klg s GLN 41 CO 0.79 -0.97 0.06 -0.98 -0.50 0.00 0.00 175.29 173.69 2klg s ARG 42 N 2.64 0.74 0.26 1.67 1.70 -1.26 -4.38 118.95 120.32 2klg s ARG 42 Ca 0.20 -1.17 0.08 0.00 -0.47 0.00 0.00 55.73 54.37 2klg s ARG 42 Cb -0.15 0.26 -0.04 0.00 -0.57 0.00 0.00 34.95 34.45 2klg s ARG 42 CO 0.18 -0.19 0.14 -0.48 -1.08 0.00 0.00 175.30 173.87 2klg s LEU 43 N -2.92 3.61 -0.84 -1.89 2.34 -1.26 -3.43 118.68 114.30 2klg s LEU 43 Ca 0.09 -0.39 0.02 0.00 0.06 0.00 0.00 54.13 53.90 2klg s LEU 43 Cb 0.07 -2.15 0.28 0.00 -0.56 0.00 0.00 46.19 43.83 2klg s LEU 43 CO -0.09 -0.05 1.09 -0.38 -1.06 0.00 0.00 176.35 175.86 2klg n ILE 44 N -1.11 3.73 -3.67 1.48 2.08 -1.11 -4.65 119.36 116.10 2klg n ILE 44 Ca -0.07 -5.56 -0.10 0.00 0.56 0.00 0.00 62.75 57.59 2klg n ILE 44 Cb 0.58 -2.07 -0.10 0.00 -0.75 0.00 0.00 39.64 37.30 2klg n ILE 44 CO 0.00 0.00 0.00 0.12 0.56 0.00 0.00 176.55 177.23 2klg s PHE 45 N -2.66 -0.70 -1.48 1.39 5.36 -1.26 -4.78 117.98 113.85 2klg s PHE 45 Ca 0.36 1.38 -0.02 0.00 -0.96 0.00 0.00 56.93 57.69 2klg s PHE 45 Cb 0.11 0.24 0.01 0.00 -0.34 0.00 0.00 43.02 43.04 2klg s PHE 45 CO 0.04 -0.43 0.22 0.00 -1.46 0.00 0.00 175.22 173.58 2klg n ALA 46 N 5.16 -0.81 -3.83 11.12 0.00 -1.26 -2.07 120.51 128.82 2klg n ALA 46 Ca -0.11 0.17 -0.30 0.00 0.00 0.00 0.00 53.44 53.20 2klg n ALA 46 Cb 0.51 -2.54 -0.03 0.00 0.00 0.00 0.00 19.45 17.39 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 -1.11 -0.46 3.53 0.00 0.00 -1.26 -4.93 105.19 100.95 2klg n GLY 47 Ca -0.16 0.09 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 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 -6.50 3.26 0.50 1.61 2.47 -0.88 -5.12 119.74 115.08 2klg s LYS 48 Ca 0.58 -0.54 -0.04 0.00 -1.56 0.00 0.00 55.97 54.41 2klg s LYS 48 Cb -0.32 -2.75 -0.01 0.00 -1.46 0.00 0.00 37.83 33.28 2klg s LYS 48 CO 0.71 0.42 0.77 -0.65 0.16 0.00 0.00 175.35 176.77 2klg s GLN 49 N -0.15 3.20 0.14 4.03 -0.21 -1.26 -4.26 119.66 121.15 2klg s GLN 49 Ca 0.02 -0.09 0.27 0.00 0.02 0.00 0.00 55.36 55.58 2klg s GLN 49 Cb -0.13 -2.41 0.95 0.00 1.00 0.00 0.00 33.01 32.41 2klg s GLN 49 CO 0.03 -0.36 1.81 -0.11 -2.12 0.00 0.00 175.29 174.54 2klg n LEU 50 N -2.28 0.54 0.11 2.90 0.00 -1.26 -3.52 117.00 113.48 2klg n LEU 50 Ca 0.02 0.56 -0.21 0.00 0.00 0.00 0.00 56.01 56.37 2klg n LEU 50 Cb 0.57 -0.39 -0.13 0.00 0.00 0.00 0.00 43.42 43.46 2klg n LEU 50 CO 0.51 -0.15 -0.10 -0.08 0.00 0.00 0.00 177.39 177.57 2klg h GLU 51 N 0.00 0.49 -6.12 1.96 4.57 -1.90 -3.43 114.58 110.16 2klg h GLU 51 Ca 0.00 -0.74 -0.73 0.00 -1.18 0.00 0.00 59.36 56.71 2klg h GLU 51 Cb 0.63 0.26 0.01 0.00 -0.16 0.00 0.00 28.75 29.49 2klg h GLU 51 CO 0.00 1.34 1.00 -0.25 -1.18 0.00 0.00 179.01 179.92 2klg n ASP 52 N -3.69 2.28 -2.64 1.04 9.92 -1.23 -4.74 116.55 117.48 2klg n ASP 52 Ca -0.13 0.96 -0.10 0.00 -0.53 0.00 0.00 54.79 55.00 2klg n ASP 52 Cb 1.03 -1.14 -0.05 0.00 -0.64 0.00 0.00 41.12 40.32 2klg n ASP 52 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2klg n GLY 53 N 4.71 2.20 3.90 0.44 0.00 -1.26 -4.73 105.19 110.45 2klg n GLY 53 Ca 0.30 -0.55 -0.22 0.00 0.00 0.00 0.00 46.02 45.55 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 2.87 2.41 -0.13 1.61 3.52 -1.26 -4.90 118.95 123.07 2klg s ARG 54 Ca 0.28 -1.71 -0.09 0.00 -0.13 0.00 0.00 55.73 54.08 2klg s ARG 54 Cb 0.11 -2.31 -0.04 0.00 -1.56 0.00 0.00 34.95 31.14 2klg s ARG 54 CO -0.01 -0.41 0.17 0.99 -0.81 0.00 0.00 175.30 175.22 2klg s THR 55 N -2.60 5.44 0.28 4.11 2.01 -1.26 -1.42 115.64 122.20 2klg s THR 55 Ca 0.45 0.27 0.01 0.00 0.31 0.00 0.00 61.69 62.74 2klg s THR 55 Cb -0.03 -3.45 0.27 0.00 0.01 0.00 0.00 72.50 69.29 2klg s THR 55 CO 0.27 0.56 1.78 -0.07 -0.69 0.00 0.00 174.62 176.47 2klg h LEU 56 N 5.45 0.66 -2.05 4.42 3.38 -1.85 0.14 115.31 125.46 2klg h LEU 56 Ca -0.51 0.09 0.02 0.00 0.09 0.00 0.00 57.88 57.57 2klg h LEU 56 Cb 1.21 -0.03 -0.00 0.00 0.09 0.00 0.00 40.66 41.93 2klg h LEU 56 CO 0.63 0.28 0.05 -1.28 0.09 0.00 0.00 178.44 178.22 2klg h SER 57 N 0.72 0.00 -0.98 -0.43 0.87 -1.92 0.96 113.55 112.77 2klg h SER 57 Ca 0.50 0.00 0.14 0.00 -1.23 0.00 0.00 61.79 61.20 2klg h SER 57 Cb 0.70 0.00 -0.09 0.00 -0.44 0.00 0.00 62.40 62.57 2klg h SER 57 CO -0.35 0.00 0.60 0.44 -0.53 0.00 0.00 176.83 176.98 2klg h ASP 58 N 0.00 0.84 -0.88 6.23 3.32 -1.08 -1.13 116.42 123.72 2klg h ASP 58 Ca 0.03 0.06 -0.56 0.00 0.02 0.00 0.00 57.03 56.59 2klg h ASP 58 Cb 0.14 -0.10 -0.29 0.00 0.22 0.00 0.00 39.33 39.30 2klg h ASP 58 CO -0.00 0.41 0.45 -1.22 -1.72 0.00 0.00 179.24 177.16 2klg n TYR 59 N -4.69 2.84 -2.01 4.55 4.01 -0.89 -4.89 117.16 116.10 2klg n TYR 59 Ca 0.19 -2.45 -0.16 0.00 -0.16 0.00 0.00 57.90 55.32 2klg n TYR 59 Cb 0.40 -1.05 -0.03 0.00 -0.31 0.00 0.00 39.34 38.35 2klg n TYR 59 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 2klg n ASN 60 N -0.97 -4.59 -3.57 7.72 2.85 -0.43 -4.86 115.26 111.41 2klg n ASN 60 Ca 0.56 0.23 -0.41 0.00 -0.11 0.00 0.00 54.58 54.85 2klg n ASN 60 Cb 1.00 -3.99 -0.00 0.00 1.24 0.00 0.00 39.78 38.03 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 -2.98 5.01 -3.16 -1.44 5.41 0.28 -4.90 119.36 117.60 2klg n ILE 61 Ca -0.18 -4.32 -0.10 0.00 1.00 0.00 0.00 62.75 59.15 2klg n ILE 61 Cb 0.60 -2.15 0.03 0.00 -0.71 0.00 0.00 39.64 37.40 2klg n ILE 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 2klg n GLN 62 N 2.27 0.86 -1.43 0.38 10.64 -1.26 -4.11 117.38 124.72 2klg n GLN 62 Ca 0.57 -1.58 -0.43 0.00 -1.83 0.00 0.00 57.00 53.73 2klg n GLN 62 Cb 0.27 -0.06 -0.00 0.00 -0.86 0.00 0.00 30.24 29.59 2klg n GLN 62 CO 0.00 0.00 0.00 1.63 -1.83 0.00 0.00 177.06 176.86 2klg n LYS 63 N -1.53 0.46 -1.42 2.61 4.01 -1.26 -0.91 118.16 120.12 2klg n LYS 63 Ca 0.06 0.17 -0.15 0.00 -0.51 0.00 0.00 58.31 57.88 2klg n LYS 63 Cb 0.30 -1.36 -0.06 0.00 -0.51 0.00 0.00 35.03 33.39 2klg n LYS 63 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 2klg n GLU 64 N 0.82 -1.13 -1.60 1.97 -0.58 0.33 -4.97 120.64 115.47 2klg n GLU 64 Ca 0.12 1.00 -0.29 0.00 -0.42 0.00 0.00 57.16 57.58 2klg n GLU 64 Cb 0.36 -5.17 0.13 0.00 -0.57 0.00 0.00 31.44 26.19 2klg n GLU 64 CO 0.00 0.00 0.00 -1.54 -0.48 0.00 0.00 177.13 175.11 2klg s SER 65 N -2.77 3.67 -0.88 1.62 1.04 -0.09 -4.93 113.70 111.37 2klg s SER 65 Ca 0.00 0.92 -0.05 0.00 0.48 0.00 0.00 55.95 57.30 2klg s SER 65 Cb 0.00 -1.48 0.22 0.00 0.10 0.00 0.00 66.02 64.87 2klg s SER 65 CO 0.00 -2.45 0.78 0.28 0.98 0.00 0.00 173.24 172.84 2klg s THR 66 N -3.34 4.78 -0.49 2.02 -1.32 -1.26 -4.19 115.64 111.84 2klg s THR 66 Ca 0.64 -3.40 -0.16 0.00 -1.21 0.00 0.00 61.69 57.56 2klg s THR 66 Cb -0.14 -3.96 0.07 0.00 -1.51 0.00 0.00 72.50 66.97 2klg s THR 66 CO 0.53 -1.06 0.45 -0.76 -2.21 0.00 0.00 174.62 171.57 2klg s LEU 67 N -0.87 5.54 -0.46 9.08 1.43 -1.26 -4.98 118.68 127.17 2klg s LEU 67 Ca 0.25 -1.29 -0.09 0.00 -1.03 0.00 0.00 54.13 51.97 2klg s LEU 67 Cb -0.11 -2.23 0.11 0.00 0.03 0.00 0.00 46.19 43.99 2klg s LEU 67 CO -0.09 -0.72 0.32 -2.28 0.23 0.00 0.00 176.35 173.81 2klg s HIS 68 N 1.84 3.42 0.41 0.29 2.46 -1.26 -4.53 115.29 117.92 2klg s HIS 68 Ca 0.06 -1.85 0.01 0.00 0.47 0.00 0.00 55.06 53.75 2klg s HIS 68 Cb -0.24 -3.39 -0.01 0.00 -0.13 0.00 0.00 32.58 28.81 2klg s HIS 68 CO 0.07 -0.97 0.62 -0.51 -2.47 0.00 0.00 174.74 171.49 2klg s LEU 69 N 1.36 3.77 -0.25 8.88 1.02 -1.26 -2.77 118.68 129.43 2klg s LEU 69 Ca 0.05 0.30 -0.08 0.00 0.02 0.00 0.00 54.13 54.42 2klg s LEU 69 Cb -0.25 -3.18 -0.04 0.00 0.02 0.00 0.00 46.19 42.74 2klg s LEU 69 CO -0.00 -0.57 0.10 -0.69 0.02 0.00 0.00 176.35 175.21 2klg s VAL 70 N -2.47 4.67 -0.35 -1.59 1.01 -1.22 -4.95 120.40 115.50 2klg s VAL 70 Ca 0.46 -0.05 -0.29 0.00 0.00 0.00 0.00 61.98 62.10 2klg s VAL 70 Cb -0.10 -3.19 0.01 0.00 0.00 0.00 0.00 36.38 33.10 2klg s VAL 70 CO 0.37 0.33 1.29 -1.48 0.00 0.00 0.00 175.10 175.60 2klg s LEU 71 N 1.49 3.78 -1.21 3.92 -0.00 -1.26 -4.72 118.68 120.68 2klg s LEU 71 Ca 0.06 1.01 -0.06 0.00 -0.00 0.00 0.00 54.13 55.14 2klg s LEU 71 Cb -0.15 -3.54 0.21 0.00 -0.00 0.00 0.00 46.19 42.71 2klg s LEU 71 CO 0.05 -1.17 1.88 0.54 -0.00 0.00 0.00 176.35 177.66 2klg n ARG 72 N 7.52 4.30 0.06 1.48 5.12 -1.26 -4.69 116.66 129.19 2klg n ARG 72 Ca 0.15 -3.93 -0.21 0.00 -1.93 0.00 0.00 57.85 51.93 2klg n ARG 72 Cb 0.47 -2.69 -0.15 0.00 -1.16 0.00 0.00 32.46 28.93 2klg n ARG 72 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 2klg h LEU 73 N 6.25 0.51 -9.49 0.55 5.85 -1.92 -3.42 115.31 113.64 2klg h LEU 73 Ca 0.43 -0.94 -0.57 0.00 0.84 0.00 0.00 57.88 57.64 2klg h LEU 73 Cb 0.51 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 41.32 2klg h LEU 73 CO 1.46 1.45 -0.02 -0.13 -0.34 0.00 0.00 178.44 180.87 2klg s ARG 74 N -2.45 4.33 -0.08 1.25 1.81 -1.26 -4.17 118.95 118.37 2klg s ARG 74 Ca -0.13 0.72 -0.00 0.00 -1.72 0.00 0.00 55.73 54.59 2klg s ARG 74 Cb 0.01 -3.36 0.00 0.00 -0.45 0.00 0.00 34.95 31.16 2klg s ARG 74 CO 0.84 0.32 0.07 0.41 -0.68 0.00 0.00 175.30 176.26 2klg n GLY 75 N 2.58 0.77 0.00 -3.53 0.00 -1.26 -5.20 105.19 98.54 2klg n GLY 75 Ca -0.06 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.37 2klg n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93