#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3m62 s LEU 4 N 0.00 3.43 -0.06 -3.43 1.43 -0.93 -0.20 118.68 118.91 3m62 s LEU 4 Ca 0.00 -0.51 0.06 0.00 -1.03 0.00 0.00 54.13 52.65 3m62 s LEU 4 Cb 0.00 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.26 3m62 s LEU 4 CO 0.00 -0.04 -0.24 -0.89 0.23 0.00 0.00 176.35 175.42 3m62 s THR 5 N -2.26 1.97 -0.30 5.49 2.01 -0.08 -1.95 115.64 120.52 3m62 s THR 5 Ca 0.32 -1.01 -0.01 0.00 0.31 0.00 0.00 61.69 61.31 3m62 s THR 5 Cb -0.07 -1.67 0.06 0.00 0.01 0.00 0.00 72.50 70.83 3m62 s THR 5 CO 0.22 0.55 -0.01 -0.36 -0.69 0.00 0.00 174.62 174.32 3m62 s PHE 6 N -0.05 3.30 -0.01 4.92 0.08 -1.11 -0.67 117.98 124.44 3m62 s PHE 6 Ca -0.06 -2.03 -0.08 0.00 0.12 0.00 0.00 56.93 54.88 3m62 s PHE 6 Cb -0.14 -2.15 -0.05 0.00 -0.57 0.00 0.00 43.02 40.11 3m62 s PHE 6 CO 0.04 -0.83 0.27 0.15 -0.10 0.00 0.00 175.22 174.75 3m62 s LYS 7 N 1.20 3.61 0.94 0.44 1.02 -1.02 -1.32 119.74 124.61 3m62 s LYS 7 Ca -0.05 -0.01 -0.14 0.00 0.02 0.00 0.00 55.97 55.78 3m62 s LYS 7 Cb -0.20 -3.11 0.19 0.00 -0.52 0.00 0.00 37.83 34.20 3m62 s LYS 7 CO -0.02 0.67 1.29 1.21 -0.92 0.00 0.00 175.35 177.58 3m62 s ASN 8 N -1.52 3.23 0.05 2.83 3.84 -0.29 -2.15 114.94 120.92 3m62 s ASN 8 Ca 0.25 0.19 -0.26 0.00 0.21 0.00 0.00 52.86 53.25 3m62 s ASN 8 Cb -0.13 -0.26 -0.17 0.00 -0.55 0.00 0.00 41.25 40.14 3m62 s ASN 8 CO 0.14 -2.65 1.49 -0.26 -2.79 0.00 0.00 177.10 173.03 3m62 h PHE 9 N -1.53 -0.32 -0.10 0.43 0.04 -1.91 -3.26 116.94 110.29 3m62 h PHE 9 Ca -0.43 -0.01 -0.05 0.00 2.80 0.00 0.00 57.97 60.27 3m62 h PHE 9 Cb 1.24 0.11 -0.03 0.00 2.20 0.00 0.00 35.95 39.46 3m62 h PHE 9 CO -1.07 -0.08 0.07 0.36 -0.60 0.00 0.00 178.31 176.98 3m62 n LYS 10 N -5.17 1.13 -0.97 1.51 0.00 -1.26 -4.95 118.16 108.45 3m62 n LYS 10 Ca -0.10 -0.30 0.13 0.00 -0.00 0.00 0.00 58.31 58.05 3m62 n LYS 10 Cb 0.21 -1.12 -0.03 0.00 -0.00 0.00 0.00 35.03 34.09 3m62 n LYS 10 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 3m62 n LYS 11 N 0.54 -1.96 0.00 -1.58 4.76 -1.23 -5.08 118.16 113.61 3m62 n LYS 11 Ca 0.06 1.29 0.00 0.00 -2.87 0.00 0.00 58.31 56.79 3m62 n LYS 11 Cb 0.59 -2.39 0.00 0.00 -1.84 0.00 0.00 35.03 31.39 3m62 n LYS 11 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 3m62 n GLU 12 N -3.24 0.00 -4.21 1.97 2.13 -1.26 -4.22 120.64 111.81 3m62 n GLU 12 Ca 0.01 0.00 -0.31 0.00 0.66 0.00 0.00 57.16 57.52 3m62 n GLU 12 Cb 0.44 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 32.07 3m62 n GLU 12 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 3m62 s LYS 13 N -2.20 2.54 -0.29 5.31 1.02 -1.26 -1.14 119.74 123.72 3m62 s LYS 13 Ca 0.00 -0.81 -0.04 0.00 0.02 0.00 0.00 55.97 55.14 3m62 s LYS 13 Cb 0.00 -2.53 0.10 0.00 -0.52 0.00 0.00 37.83 34.88 3m62 s LYS 13 CO 0.00 0.56 0.13 0.08 -0.92 0.00 0.00 175.35 175.20 3m62 s VAL 14 N -1.22 -0.07 -0.09 3.17 1.01 -0.43 -4.96 120.40 117.81 3m62 s VAL 14 Ca 0.23 -0.77 -0.30 0.00 0.00 0.00 0.00 61.98 61.15 3m62 s VAL 14 Cb -0.12 -0.98 -0.03 0.00 0.00 0.00 0.00 36.38 35.25 3m62 s VAL 14 CO 0.15 -0.73 1.35 -2.16 0.00 0.00 0.00 175.10 173.71 3m62 s PRO 15 N 2.09 4.26 -0.07 2.72 0.04 -1.26 -2.76 135.00 140.01 3m62 s PRO 15 Ca 0.09 1.83 0.02 0.00 0.04 0.00 0.00 61.00 62.97 3m62 s PRO 15 Cb -0.16 -3.72 -0.03 0.00 0.04 0.00 0.00 34.50 30.64 3m62 s PRO 15 CO -0.37 -0.65 -0.10 -0.51 0.04 0.00 0.00 177.00 175.41 3m62 s LEU 16 N 3.08 2.97 -0.33 -3.56 1.43 -0.82 -5.02 118.68 116.42 3m62 s LEU 16 Ca 0.60 -0.12 -0.16 0.00 -1.03 0.00 0.00 54.13 53.42 3m62 s LEU 16 Cb -0.27 -1.63 -0.01 0.00 0.03 0.00 0.00 46.19 44.31 3m62 s LEU 16 CO 0.21 0.33 0.42 -0.62 0.23 0.00 0.00 176.35 176.92 3m62 s ASP 17 N -0.62 6.24 0.02 2.29 3.68 -1.26 -2.20 116.67 124.82 3m62 s ASP 17 Ca 0.09 -0.05 0.05 0.00 2.13 0.00 0.00 52.55 54.77 3m62 s ASP 17 Cb -0.11 -2.23 -0.02 0.00 -1.45 0.00 0.00 42.92 39.11 3m62 s ASP 17 CO 0.01 -0.36 -0.16 -0.76 0.13 0.00 0.00 175.17 174.04 3m62 s LEU 18 N 2.16 2.12 0.37 -1.34 1.43 -1.26 -5.05 118.68 117.12 3m62 s LEU 18 Ca 0.15 -0.41 -0.21 0.00 -1.03 0.00 0.00 54.13 52.63 3m62 s LEU 18 Cb -0.16 -0.74 -0.10 0.00 0.03 0.00 0.00 46.19 45.22 3m62 s LEU 18 CO 0.12 0.11 0.90 -1.83 0.23 0.00 0.00 176.35 175.87 3m62 s GLU 19 N -0.89 4.28 -1.45 1.70 -1.05 -1.26 -4.93 118.70 115.10 3m62 s GLU 19 Ca 0.04 1.07 -0.11 0.00 -0.15 0.00 0.00 54.97 55.82 3m62 s GLU 19 Cb -0.07 -2.42 0.05 0.00 -0.44 0.00 0.00 34.13 31.24 3m62 s GLU 19 CO 0.01 0.11 2.33 -0.35 0.95 0.00 0.00 175.26 178.31 3m62 n PRO 20 N -0.21 3.36 0.00 -4.83 -0.05 -1.26 -3.18 135.00 128.82 3m62 n PRO 20 Ca 0.05 -2.78 0.00 0.00 -0.05 0.00 0.00 63.50 60.71 3m62 n PRO 20 Cb 0.53 -3.05 0.00 0.00 -0.05 0.00 0.00 33.50 30.93 3m62 n PRO 20 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 3m62 n SER 21 N 4.68 0.00 -4.75 3.54 2.88 -1.26 -4.32 113.62 114.39 3m62 n SER 21 Ca 0.56 0.00 -0.36 0.00 -1.33 0.00 0.00 58.87 57.74 3m62 n SER 21 Cb 0.34 0.13 0.05 0.00 -0.75 0.00 0.00 64.21 63.97 3m62 n SER 21 CO 0.00 0.00 0.00 0.54 -1.23 0.00 0.00 175.04 174.35 3m62 s ASN 22 N -1.51 4.97 0.80 -3.46 6.03 -1.19 -4.63 114.94 115.95 3m62 s ASN 22 Ca 0.00 2.49 -0.12 0.00 -1.03 0.00 0.00 52.86 54.20 3m62 s ASN 22 Cb 0.00 -2.61 0.07 0.00 -3.03 0.00 0.00 41.25 35.69 3m62 s ASN 22 CO 0.00 -1.75 1.13 0.42 -2.03 0.00 0.00 177.10 174.87 3m62 s THR 23 N -1.51 2.68 0.09 0.54 -4.23 -1.26 -1.57 115.64 110.37 3m62 s THR 23 Ca 0.79 0.22 0.25 0.00 -1.18 0.00 0.00 61.69 61.78 3m62 s THR 23 Cb -0.33 -3.09 0.26 0.00 1.34 0.00 0.00 72.50 70.68 3m62 s THR 23 CO 0.36 -0.29 1.83 0.40 -0.54 0.00 0.00 174.62 176.38 3m62 h ILE 24 N -1.06 0.43 -0.56 2.99 2.04 -1.00 -0.93 117.51 119.42 3m62 h ILE 24 Ca -0.47 -1.04 -0.10 0.00 1.00 0.00 0.00 64.86 64.25 3m62 h ILE 24 Cb 1.29 1.76 -0.02 0.00 -0.74 0.00 0.00 36.82 39.11 3m62 h ILE 24 CO 0.63 0.18 -0.03 0.25 0.00 0.00 0.00 178.15 179.18 3m62 h LEU 25 N 0.00 1.00 -1.00 1.44 5.85 -1.69 -1.03 115.31 119.88 3m62 h LEU 25 Ca -0.00 -0.32 -0.08 0.00 0.84 0.00 0.00 57.88 58.32 3m62 h LEU 25 Cb 0.74 -0.27 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 3m62 h LEU 25 CO 0.02 1.08 -0.12 -0.33 -0.34 0.00 0.00 178.44 178.75 3m62 h GLU 26 N 0.90 0.58 0.13 1.25 5.08 -1.74 -1.11 114.58 119.66 3m62 h GLU 26 Ca 0.16 -0.17 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 3m62 h GLU 26 Cb 0.58 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.78 3m62 h GLU 26 CO 0.03 0.69 -0.06 1.15 -1.00 0.00 0.00 179.01 179.82 3m62 h THR 27 N 0.53 0.99 -0.17 1.13 2.02 -1.06 -2.00 112.91 114.35 3m62 h THR 27 Ca 0.10 -0.48 0.05 0.00 0.77 0.00 0.00 66.41 66.84 3m62 h THR 27 Cb 0.53 1.29 -0.05 0.00 -1.74 0.00 0.00 68.15 68.17 3m62 h THR 27 CO 0.03 0.11 -0.15 0.11 0.37 0.00 0.00 175.52 176.00 3m62 h LYS 28 N -0.40 -0.16 -0.66 6.66 1.57 -1.09 0.39 116.57 122.88 3m62 h LYS 28 Ca -0.02 0.01 0.16 0.00 -1.87 0.00 0.00 60.65 58.93 3m62 h LYS 28 Cb 0.32 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.63 3m62 h LYS 28 CO 0.03 -0.10 0.46 1.15 -0.57 0.00 0.00 179.45 180.41 3m62 h THR 29 N -0.16 0.75 -0.06 -0.16 2.02 -1.19 1.11 112.91 115.22 3m62 h THR 29 Ca 0.11 -0.07 -0.14 0.00 0.77 0.00 0.00 66.41 67.07 3m62 h THR 29 Cb 0.32 0.54 0.01 0.00 -1.74 0.00 0.00 68.15 67.27 3m62 h THR 29 CO -0.26 0.04 -0.53 0.11 0.37 0.00 0.00 175.52 175.24 3m62 h LYS 30 N 0.19 0.47 -0.30 6.66 1.57 -0.32 -2.24 116.57 122.59 3m62 h LYS 30 Ca 0.32 -0.42 -0.05 0.00 -1.87 0.00 0.00 60.65 58.64 3m62 h LYS 30 Cb 0.99 0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.39 3m62 h LYS 30 CO -0.06 1.06 0.01 1.25 -0.57 0.00 0.00 179.45 181.14 3m62 h LEU 31 N 0.02 0.51 -0.59 2.94 6.46 0.21 -1.19 115.31 123.67 3m62 h LEU 31 Ca -0.05 -0.30 0.08 0.00 -0.12 0.00 0.00 57.88 57.50 3m62 h LEU 31 Cb 1.19 -0.14 -0.06 0.00 -0.73 0.00 0.00 40.66 40.92 3m62 h LEU 31 CO 0.11 0.68 0.25 0.00 -0.62 0.00 0.00 178.44 178.86 3m62 h ALA 32 N 0.85 0.77 -0.66 1.25 0.00 0.10 -2.03 119.26 119.54 3m62 h ALA 32 Ca 0.09 0.06 0.05 0.00 0.00 0.00 0.00 54.91 55.11 3m62 h ALA 32 Cb 0.41 0.01 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 3m62 h ALA 32 CO 0.01 -0.15 0.38 0.37 0.00 0.00 0.00 179.25 179.86 3m62 h GLN 33 N 0.45 0.70 0.00 0.00 5.75 -1.21 -2.22 115.11 118.57 3m62 h GLN 33 Ca 0.29 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.75 3m62 h GLN 33 Cb 0.31 -0.16 0.00 0.00 1.07 0.00 0.00 27.48 28.71 3m62 h GLN 33 CO -0.27 0.46 0.00 0.45 -2.65 0.00 0.00 178.83 176.83 3m62 n SER 34 N -4.76 0.00 0.00 -0.69 2.88 -0.46 -4.63 113.62 105.95 3m62 n SER 34 Ca 0.08 -0.39 0.00 0.00 -1.33 0.00 0.00 58.87 57.22 3m62 n SER 34 Cb 0.14 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.60 3m62 n SER 34 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 3m62 n ILE 35 N -0.97 0.00 -2.56 2.46 5.41 -0.84 -5.06 119.36 117.79 3m62 n ILE 35 Ca 0.08 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.83 3m62 n ILE 35 Cb 0.04 0.00 0.03 0.00 -0.71 0.00 0.00 39.64 39.00 3m62 n ILE 35 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 3m62 n SER 36 N 0.00 0.47 -4.41 4.38 2.88 -1.22 -5.03 113.62 110.69 3m62 n SER 36 Ca 0.00 -2.04 -0.23 0.00 -1.33 0.00 0.00 58.87 55.27 3m62 n SER 36 Cb 0.00 -0.10 -0.10 0.00 -0.75 0.00 0.00 64.21 63.25 3m62 n SER 36 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3m62 s GLU 38 N -3.86 3.90 0.56 0.00 0.41 -1.26 -4.47 118.70 113.98 3m62 s GLU 38 Ca 0.33 0.49 0.25 0.00 -0.41 0.00 0.00 54.97 55.63 3m62 s GLU 38 Cb 0.08 -2.52 1.55 0.00 -1.78 0.00 0.00 34.13 31.46 3m62 s GLU 38 CO 0.15 0.22 2.14 1.05 -0.49 0.00 0.00 175.26 178.33 3m62 h GLU 39 N 2.32 0.00 0.00 1.61 9.09 -1.94 -2.31 114.58 123.35 3m62 h GLU 39 Ca -0.47 0.00 -0.04 0.00 0.05 0.00 0.00 59.36 58.90 3m62 h GLU 39 Cb 1.17 0.00 -0.01 0.00 -1.65 0.00 0.00 28.75 28.27 3m62 h GLU 39 CO 0.67 0.00 -0.17 0.66 0.05 0.00 0.00 179.01 180.22 3m62 h SER 40 N 0.00 0.00 0.43 3.06 4.64 -1.96 -2.72 113.55 117.00 3m62 h SER 40 Ca 0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.38 3m62 h SER 40 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 3m62 h SER 40 CO -0.00 0.17 -0.22 0.00 -0.87 0.00 0.00 176.83 175.91 3m62 n GLN 41 N -3.72 0.50 -3.47 4.77 6.02 -0.87 -4.89 117.38 115.73 3m62 n GLN 41 Ca -0.02 -0.22 -0.38 0.00 -0.01 0.00 0.00 57.00 56.37 3m62 n GLN 41 Cb 0.28 -1.50 -0.08 0.00 1.02 0.00 0.00 30.24 29.97 3m62 n GLN 41 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3m62 s ILE 42 N -2.65 5.24 0.06 5.09 1.01 -1.03 -1.65 121.20 127.28 3m62 s ILE 42 Ca 0.22 0.52 0.04 0.00 0.00 0.00 0.00 60.65 61.44 3m62 s ILE 42 Cb 0.19 -3.66 -0.04 0.00 0.01 0.00 0.00 42.46 38.97 3m62 s ILE 42 CO 0.54 0.26 -0.03 -0.54 0.00 0.00 0.00 174.94 175.17 3m62 s LYS 43 N 1.39 2.52 -0.04 2.79 3.01 0.51 -4.94 119.74 124.99 3m62 s LYS 43 Ca 0.15 -0.81 0.05 0.00 -1.01 0.00 0.00 55.97 54.35 3m62 s LYS 43 Cb -0.15 -2.52 -0.01 0.00 -1.01 0.00 0.00 37.83 34.15 3m62 s LYS 43 CO 0.07 0.56 -0.18 -0.51 0.51 0.00 0.00 175.35 175.81 3m62 s LEU 44 N -1.99 1.96 -0.11 3.17 1.43 -1.26 -0.77 118.68 121.10 3m62 s LEU 44 Ca 0.22 -0.36 -0.01 0.00 -1.03 0.00 0.00 54.13 52.96 3m62 s LEU 44 Cb -0.11 -0.99 0.03 0.00 0.03 0.00 0.00 46.19 45.15 3m62 s LEU 44 CO 0.14 0.18 -0.03 -0.63 0.23 0.00 0.00 176.35 176.24 3m62 s ILE 45 N -0.11 0.76 -0.05 -0.59 1.09 0.69 -0.77 121.20 122.23 3m62 s ILE 45 Ca -0.01 -0.22 0.04 0.00 -1.10 0.00 0.00 60.65 59.37 3m62 s ILE 45 Cb -0.10 -0.90 -0.00 0.00 -1.06 0.00 0.00 42.46 40.39 3m62 s ILE 45 CO 0.01 0.24 -0.18 -0.47 -0.10 0.00 0.00 174.94 174.44 3m62 s TYR 46 N 1.81 1.79 -1.05 3.97 5.04 -0.11 -2.39 117.35 126.42 3m62 s TYR 46 Ca 0.04 -0.53 -0.24 0.00 -2.44 0.00 0.00 57.07 53.90 3m62 s TYR 46 Cb -0.13 -1.21 0.03 0.00 0.35 0.00 0.00 41.96 41.00 3m62 s TYR 46 CO -0.07 -0.18 0.44 0.45 -1.34 0.00 0.00 175.55 174.85 3m62 n SER 47 N 3.16 -2.52 0.00 4.32 2.88 -1.26 -1.62 113.62 118.58 3m62 n SER 47 Ca -0.18 -1.07 0.00 0.00 -1.33 0.00 0.00 58.87 56.29 3m62 n SER 47 Cb 0.53 -1.29 0.00 0.00 -0.75 0.00 0.00 64.21 62.70 3m62 n SER 47 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 3m62 n GLY 48 N -1.98 0.52 3.49 0.46 0.00 -1.26 -5.05 105.19 101.37 3m62 n GLY 48 Ca -0.12 -0.87 -0.17 0.00 0.00 0.00 0.00 46.02 44.86 3m62 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3m62 s LYS 49 N -1.66 1.07 0.16 1.61 -2.85 -0.64 -5.15 119.74 112.28 3m62 s LYS 49 Ca 0.00 0.11 -0.30 0.00 -1.00 0.00 0.00 55.97 54.78 3m62 s LYS 49 Cb 0.00 0.50 -0.07 0.00 -2.06 0.00 0.00 37.83 36.20 3m62 s LYS 49 CO 0.00 -0.36 0.97 0.08 0.10 0.00 0.00 175.35 176.15 3m62 s VAL 50 N -1.62 4.29 0.48 1.79 1.01 -1.26 -0.94 120.40 124.15 3m62 s VAL 50 Ca -0.09 2.02 -0.17 0.00 0.00 0.00 0.00 61.98 63.74 3m62 s VAL 50 Cb -0.00 -4.29 -0.08 0.00 0.00 0.00 0.00 36.38 32.01 3m62 s VAL 50 CO 0.06 0.37 0.95 -0.76 0.00 0.00 0.00 175.10 175.72 3m62 s LEU 51 N -0.41 3.71 -0.09 3.92 1.43 0.05 -4.91 118.68 122.40 3m62 s LEU 51 Ca 0.45 1.55 0.03 0.00 -1.03 0.00 0.00 54.13 55.13 3m62 s LEU 51 Cb -0.25 -4.46 -0.02 0.00 0.03 0.00 0.00 46.19 41.49 3m62 s LEU 51 CO 0.31 -0.52 -0.17 -1.10 0.23 0.00 0.00 176.35 175.10 3m62 s GLN 52 N -3.86 2.92 0.48 1.70 -0.21 -1.26 -4.73 119.66 114.70 3m62 s GLN 52 Ca 0.59 -0.76 0.38 0.00 0.02 0.00 0.00 55.36 55.59 3m62 s GLN 52 Cb -0.10 -2.42 1.57 0.00 1.00 0.00 0.00 33.01 33.06 3m62 s GLN 52 CO 0.27 0.36 1.57 -0.25 -2.12 0.00 0.00 175.29 175.13 3m62 n ASP 53 N 3.05 0.15 0.07 5.90 9.92 -1.26 -1.31 116.55 133.07 3m62 n ASP 53 Ca -0.18 1.29 -0.11 0.00 -0.53 0.00 0.00 54.79 55.26 3m62 n ASP 53 Cb 0.52 -0.63 -0.13 0.00 -0.64 0.00 0.00 41.12 40.24 3m62 n ASP 53 CO 0.00 0.00 0.00 0.28 0.13 0.00 0.00 177.20 177.61 3m62 h SER 54 N 0.00 0.19 -3.90 -2.24 0.02 -1.95 -2.43 113.55 103.23 3m62 h SER 54 Ca 0.91 -0.22 -0.52 0.00 -0.84 0.00 0.00 61.79 61.11 3m62 h SER 54 Cb 3.13 -0.06 0.06 0.00 0.14 0.00 0.00 62.40 65.67 3m62 h SER 54 CO -0.34 1.18 0.60 -0.54 -1.14 0.00 0.00 176.83 176.58 3m62 s LYS 55 N -2.67 4.22 0.40 3.45 -0.14 -0.43 -4.71 119.74 119.85 3m62 s LYS 55 Ca -0.03 2.11 -0.17 0.00 -1.36 0.00 0.00 55.97 56.52 3m62 s LYS 55 Cb 0.08 -2.93 -0.09 0.00 -1.68 0.00 0.00 37.83 33.21 3m62 s LYS 55 CO 0.85 -0.26 0.86 0.95 -0.76 0.00 0.00 175.35 176.98 3m62 s THR 56 N -1.22 4.56 0.50 2.17 -4.23 -1.26 -0.72 115.64 115.43 3m62 s THR 56 Ca 0.52 1.16 0.20 0.00 -1.18 0.00 0.00 61.69 62.39 3m62 s THR 56 Cb -0.37 -3.63 0.34 0.00 1.34 0.00 0.00 72.50 70.18 3m62 s THR 56 CO 0.49 -0.34 2.03 1.62 -0.54 0.00 0.00 174.62 177.88 3m62 h VAL 57 N 1.72 0.85 -0.01 2.29 3.04 -1.55 0.06 116.25 122.66 3m62 h VAL 57 Ca -0.48 -0.04 -0.00 0.00 -1.01 0.00 0.00 66.70 65.17 3m62 h VAL 57 Cb 1.18 0.73 -0.00 0.00 -2.01 0.00 0.00 31.29 31.18 3m62 h VAL 57 CO 0.63 0.02 0.00 -1.28 -1.01 0.00 0.00 177.57 175.93 3m62 h SER 58 N 0.12 0.01 0.38 3.17 0.87 -1.84 -2.97 113.55 113.28 3m62 h SER 58 Ca 0.19 -0.12 0.00 0.00 -1.23 0.00 0.00 61.79 60.63 3m62 h SER 58 Cb 0.61 -0.00 0.00 0.00 -0.44 0.00 0.00 62.40 62.56 3m62 h SER 58 CO -0.02 0.13 0.00 -0.33 -0.53 0.00 0.00 176.83 176.08 3m62 h GLU 59 N -0.11 0.00 0.00 2.24 5.08 -1.35 -2.04 114.58 118.40 3m62 h GLU 59 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3m62 h GLU 59 Cb 0.12 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.37 3m62 h GLU 59 CO -0.00 0.00 -0.00 0.00 -1.00 0.00 0.00 179.01 178.01 3m62 n GLY 61 N 1.25 0.33 3.67 0.00 0.00 -0.77 -5.04 105.19 104.64 3m62 n GLY 61 Ca 0.05 -0.85 -0.39 0.00 0.00 0.00 0.00 46.02 44.83 3m62 n GLY 61 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3m62 s LEU 62 N -0.30 4.16 0.50 0.99 1.43 -1.16 -5.08 118.68 119.23 3m62 s LEU 62 Ca 0.00 0.74 0.05 0.00 -1.03 0.00 0.00 54.13 53.89 3m62 s LEU 62 Cb 0.00 -2.76 0.01 0.00 0.03 0.00 0.00 46.19 43.46 3m62 s LEU 62 CO 0.00 -0.18 0.28 -1.59 0.23 0.00 0.00 176.35 175.09 3m62 s LYS 63 N 1.59 2.26 0.38 1.70 -2.85 -1.26 -4.72 119.74 116.84 3m62 s LYS 63 Ca 0.26 -2.02 -0.25 0.00 -1.00 0.00 0.00 55.97 52.96 3m62 s LYS 63 Cb -0.16 -1.99 -0.09 0.00 -2.06 0.00 0.00 37.83 33.54 3m62 s LYS 63 CO 0.10 -0.43 1.06 0.16 0.10 0.00 0.00 175.35 176.34 3m62 s ASP 64 N -4.11 6.83 0.00 0.03 -4.77 -1.26 -3.27 116.67 110.11 3m62 s ASP 64 Ca 0.31 2.07 0.00 0.00 -3.30 0.00 0.00 52.55 51.64 3m62 s ASP 64 Cb -0.00 -2.59 0.00 0.00 -1.09 0.00 0.00 42.92 39.24 3m62 s ASP 64 CO 0.19 -0.44 0.00 0.61 0.70 0.00 0.00 175.17 176.22 3m62 n GLY 65 N 0.47 3.28 3.77 2.12 0.00 0.72 -4.99 105.19 110.56 3m62 n GLY 65 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 3m62 n GLY 65 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3m62 s ASP 66 N -0.77 6.81 -0.27 1.61 1.11 -1.20 -4.76 116.67 119.19 3m62 s ASP 66 Ca 0.00 2.57 -0.10 0.00 0.18 0.00 0.00 52.55 55.21 3m62 s ASP 66 Cb 0.00 -2.64 -0.04 0.00 1.07 0.00 0.00 42.92 41.31 3m62 s ASP 66 CO 0.00 -0.50 0.14 0.00 1.18 0.00 0.00 175.17 175.99 3m62 s GLN 67 N -1.81 3.83 -0.13 8.23 1.03 -1.26 -0.90 119.66 128.65 3m62 s GLN 67 Ca 0.49 -0.38 0.02 0.00 0.04 0.00 0.00 55.36 55.53 3m62 s GLN 67 Cb -0.37 -3.53 0.01 0.00 0.03 0.00 0.00 33.01 29.16 3m62 s GLN 67 CO 0.49 -0.18 -0.17 0.54 -2.54 0.00 0.00 175.29 173.42 3m62 s VAL 68 N 1.70 1.71 0.23 3.63 0.11 0.16 -4.79 120.40 123.15 3m62 s VAL 68 Ca 0.07 -0.76 -0.31 0.00 -2.93 0.00 0.00 61.98 58.05 3m62 s VAL 68 Cb -0.16 -1.55 -0.11 0.00 -1.53 0.00 0.00 36.38 33.04 3m62 s VAL 68 CO 0.08 0.48 1.58 -0.69 -3.33 0.00 0.00 175.10 173.22 3m62 s VAL 69 N 1.03 2.34 0.12 2.04 1.01 -1.00 -2.44 120.40 123.50 3m62 s VAL 69 Ca -0.04 0.27 0.10 0.00 0.00 0.00 0.00 61.98 62.31 3m62 s VAL 69 Cb -0.15 -3.17 -0.04 0.00 0.00 0.00 0.00 36.38 33.02 3m62 s VAL 69 CO -0.04 0.03 -0.25 0.72 0.00 0.00 0.00 175.10 175.57 3m62 s PHE 70 N 0.57 2.36 -0.03 5.22 -0.12 -0.92 -0.23 117.98 124.84 3m62 s PHE 70 Ca 0.67 -0.35 0.03 0.00 -0.05 0.00 0.00 56.93 57.22 3m62 s PHE 70 Cb -0.46 -1.28 0.00 0.00 -0.63 0.00 0.00 43.02 40.65 3m62 s PHE 70 CO 0.39 0.34 -0.11 -1.64 -0.05 0.00 0.00 175.22 174.15 3m62 s MET 71 N -2.02 1.16 0.07 1.99 -1.94 0.05 -4.47 119.30 114.14 3m62 s MET 71 Ca 0.15 -0.37 0.02 0.00 -1.71 0.00 0.00 55.69 53.77 3m62 s MET 71 Cb -0.10 -1.06 -0.04 0.00 2.01 0.00 0.00 34.83 35.64 3m62 s MET 71 CO 0.07 0.14 0.13 0.14 -0.01 0.00 0.00 175.02 175.48 3m62 s VAL 72 N 0.18 4.87 0.06 -6.03 -7.23 -1.26 -0.36 120.40 110.63 3m62 s VAL 72 Ca -0.04 -0.61 0.04 0.00 -1.81 0.00 0.00 61.98 59.57 3m62 s VAL 72 Cb -0.09 -3.35 -0.03 0.00 0.56 0.00 0.00 36.38 33.46 3m62 s VAL 72 CO 0.01 0.14 -0.12 -0.44 -0.31 0.00 0.00 175.10 174.38 3m62 s SER 73 N -2.40 1.37 0.00 4.85 0.01 -0.66 -4.99 113.70 111.87 3m62 s SER 73 Ca 0.31 -0.59 0.00 0.00 1.31 0.00 0.00 55.95 56.98 3m62 s SER 73 Cb -0.12 -0.02 0.00 0.00 0.21 0.00 0.00 66.02 66.09 3m62 s SER 73 CO 0.24 -0.13 0.00 1.67 0.41 0.00 0.00 173.24 175.43