#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 s THR 2 N 0.00 4.19 -0.04 2.03 -1.32 -1.26 -5.04 115.64 114.19 1u96 s THR 2 Ca 0.00 0.23 -0.04 0.00 -1.21 0.00 0.00 61.69 60.66 1u96 s THR 2 Cb 0.00 -3.64 -0.02 0.00 -1.51 0.00 0.00 72.50 67.32 1u96 s THR 2 CO 0.00 -0.70 0.27 -0.33 -2.21 0.00 0.00 174.62 171.65 1u96 h GLU 3 N -0.11 -0.16 -6.11 7.08 3.07 -2.14 -3.47 114.58 112.75 1u96 h GLU 3 Ca -0.46 0.01 -0.52 0.00 -0.50 0.00 0.00 59.36 57.89 1u96 h GLU 3 Cb 1.23 0.04 -0.03 0.00 -0.84 0.00 0.00 28.75 29.15 1u96 h GLU 3 CO 0.61 -0.10 -0.47 0.95 -1.40 0.00 0.00 179.01 178.60 1u96 s THR 4 N -2.01 5.18 0.46 1.13 -4.23 -1.26 -5.13 115.64 109.78 1u96 s THR 4 Ca -0.02 -0.84 0.06 0.00 -1.18 0.00 0.00 61.69 59.71 1u96 s THR 4 Cb 0.00 -3.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.11 1u96 s THR 4 CO 0.07 -0.17 0.25 -1.81 -0.54 0.00 0.00 174.62 172.42 1u96 s ASP 5 N -3.45 4.53 -0.07 3.99 1.01 -1.26 -5.08 116.67 116.34 1u96 s ASP 5 Ca 0.34 -1.14 -0.07 0.00 0.71 0.00 0.00 52.55 52.40 1u96 s ASP 5 Cb -0.10 -0.15 -0.04 0.00 1.01 0.00 0.00 42.92 43.64 1u96 s ASP 5 CO 0.28 -0.74 0.28 0.11 0.21 0.00 0.00 175.17 175.31 1u96 h LYS 6 N 1.18 -0.23 -5.00 8.23 1.79 -2.03 -3.50 116.57 117.00 1u96 h LYS 6 Ca -0.41 0.02 0.01 0.00 -2.18 0.00 0.00 60.65 58.08 1u96 h LYS 6 Cb 1.27 0.05 -0.13 0.00 -1.58 0.00 0.00 32.23 31.85 1u96 h LYS 6 CO 0.65 -0.16 -1.58 1.63 -1.08 0.00 0.00 179.45 178.92 1u96 n LYS 7 N -4.92 -4.67 0.00 3.15 4.76 -1.26 -5.01 118.16 110.22 1u96 n LYS 7 Ca -0.03 3.50 0.00 0.00 -2.87 0.00 0.00 58.31 58.91 1u96 n LYS 7 Cb 0.10 -5.04 0.00 0.00 -1.84 0.00 0.00 35.03 28.24 1u96 n LYS 7 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 1u96 n GLN 8 N 1.75 0.00 -1.72 1.97 7.27 -1.26 -5.10 117.38 120.29 1u96 n GLN 8 Ca -0.41 0.00 -0.43 0.00 0.07 0.00 0.00 57.00 56.24 1u96 n GLN 8 Cb 0.63 -0.39 -0.02 0.00 2.41 0.00 0.00 30.24 32.88 1u96 n GLN 8 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52 1u96 n GLU 9 N 0.00 2.46 -3.78 3.69 4.71 -1.26 -5.01 120.64 121.46 1u96 n GLU 9 Ca 0.00 0.87 -0.14 0.00 -0.01 0.00 0.00 57.16 57.88 1u96 n GLU 9 Cb 0.21 -2.60 -0.15 0.00 -1.01 0.00 0.00 31.44 27.90 1u96 n GLU 9 CO 0.00 0.00 0.00 -1.14 0.09 0.00 0.00 177.13 176.08 1u96 s GLN 10 N -0.81 0.02 0.13 3.49 -0.44 -1.26 -5.04 119.66 115.76 1u96 s GLN 10 Ca 0.63 0.23 0.00 0.00 -2.50 0.00 0.00 55.36 53.72 1u96 s GLN 10 Cb -0.54 -0.17 0.00 0.00 -1.64 0.00 0.00 33.01 30.65 1u96 s GLN 10 CO 0.52 -0.14 0.00 -1.91 0.50 0.00 0.00 175.29 174.26 1u96 n GLU 11 N 3.98 0.00 -4.74 1.67 2.13 -1.26 -5.07 120.64 117.35 1u96 n GLU 11 Ca -0.25 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.25 1u96 n GLU 11 Cb 0.52 -0.32 -0.14 0.00 0.27 0.00 0.00 31.44 31.77 1u96 n GLU 11 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1u96 s ASN 12 N -5.51 4.11 0.00 4.31 2.20 -1.26 -4.99 114.94 113.80 1u96 s ASN 12 Ca 0.00 -0.29 0.14 0.00 -0.94 0.00 0.00 52.86 51.77 1u96 s ASN 12 Cb 0.00 -1.58 0.60 0.00 -2.00 0.00 0.00 41.25 38.27 1u96 s ASN 12 CO 0.00 0.18 1.42 0.00 -2.94 0.00 0.00 177.10 175.76 1u96 n HIS 13 N 3.44 0.17 -0.08 1.54 1.44 -1.26 -3.90 115.22 116.56 1u96 n HIS 13 Ca -0.18 -0.09 -0.16 0.00 -2.01 0.00 0.00 57.72 55.29 1u96 n HIS 13 Cb 0.53 0.00 -0.12 0.00 0.12 0.00 0.00 29.99 30.51 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1u96 h ALA 14 N 3.63 0.07 -4.69 1.59 0.00 -2.06 -3.50 119.26 114.29 1u96 h ALA 14 Ca 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 54.91 54.24 1u96 h ALA 14 Cb 0.26 0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.19 1u96 h ALA 14 CO 0.00 0.18 -1.16 0.39 0.00 0.00 0.00 179.25 178.66 1u96 n GLU 15 N -4.57 -4.76 -3.54 0.00 1.02 -1.25 -5.03 120.64 102.52 1u96 n GLU 15 Ca -0.16 3.52 -0.29 0.00 -0.02 0.00 0.00 57.16 60.21 1u96 n GLU 15 Cb 0.52 -4.66 -0.13 0.00 -0.02 0.00 0.00 31.44 27.15 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1u96 s GLU 17 N 1.23 0.63 0.55 0.00 2.12 -1.26 -5.16 118.70 116.81 1u96 s GLU 17 Ca 0.15 0.05 0.03 0.00 0.36 0.00 0.00 54.97 55.57 1u96 s GLU 17 Cb -0.21 0.29 0.05 0.00 0.26 0.00 0.00 34.13 34.52 1u96 s GLU 17 CO -0.09 -0.22 0.77 0.16 -0.54 0.00 0.00 175.26 175.34 1u96 s ASP 18 N -1.40 5.18 -0.22 -1.70 1.47 -1.26 -4.31 116.67 114.43 1u96 s ASP 18 Ca -0.00 -0.24 -0.09 0.00 1.18 0.00 0.00 52.55 53.40 1u96 s ASP 18 Cb -0.01 -0.56 0.03 0.00 -0.34 0.00 0.00 42.92 42.04 1u96 s ASP 18 CO -0.01 -1.20 0.17 0.29 0.68 0.00 0.00 175.17 175.11 1u96 n LYS 19 N -2.31 -4.17 -1.17 2.11 5.02 -1.26 -4.84 118.16 111.54 1u96 n LYS 19 Ca 0.10 3.20 -0.20 0.00 -2.02 0.00 0.00 58.31 59.38 1u96 n LYS 19 Cb 0.60 -5.06 -0.04 0.00 -0.02 0.00 0.00 35.03 30.51 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 -0.52 0.00 0.00 177.40 176.53 1u96 n PRO 20 N 1.36 2.07 -2.57 1.97 -0.04 -1.26 -4.83 135.00 131.70 1u96 n PRO 20 Ca -0.29 -1.78 -0.00 0.00 -0.04 0.00 0.00 63.50 61.39 1u96 n PRO 20 Cb 0.45 -1.89 -0.00 0.00 -0.04 0.00 0.00 33.50 32.03 1u96 n PRO 20 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1u96 n LYS 21 N 0.95 -3.14 -1.30 0.54 4.81 -1.26 -4.71 118.16 114.04 1u96 n LYS 21 Ca 0.39 2.56 -0.57 0.00 -0.87 0.00 0.00 58.31 59.82 1u96 n LYS 21 Cb 0.61 -4.88 -0.12 0.00 0.02 0.00 0.00 35.03 30.66 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 1.17 0.00 0.00 177.40 176.27 1u96 n PRO 22 N 0.65 0.08 0.00 1.64 -0.02 -1.26 -4.89 135.00 131.20 1u96 n PRO 22 Ca -0.01 0.02 0.00 0.00 -2.02 0.00 0.00 63.50 61.49 1u96 n PRO 22 Cb 0.02 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.92 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u96 h VAL 25 N 0.00 0.74 -3.39 0.00 -1.51 -1.93 -3.37 116.25 106.79 1u96 h VAL 25 Ca 0.00 -0.04 -0.66 0.00 -1.23 0.00 0.00 66.70 64.77 1u96 h VAL 25 Cb 0.00 0.62 -0.29 0.00 -2.13 0.00 0.00 31.29 29.49 1u96 h VAL 25 CO 0.00 0.02 -0.73 0.00 -1.23 0.00 0.00 177.57 175.63 1u96 n LYS 27 N 4.77 0.00 -0.28 0.00 4.81 -1.26 -4.59 118.16 121.61 1u96 n LYS 27 Ca -0.18 0.00 -0.02 0.00 -0.87 0.00 0.00 58.31 57.24 1u96 n LYS 27 Cb 0.50 0.00 0.10 0.00 0.02 0.00 0.00 35.03 35.66 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 1.17 0.00 0.00 177.40 177.57 1u96 h PRO 28 N 0.00 0.92 -0.33 1.64 0.13 -1.91 -1.96 132.00 130.49 1u96 h PRO 28 Ca 0.00 -0.06 0.03 0.00 -0.87 0.00 0.00 66.00 65.10 1u96 h PRO 28 Cb 0.00 -0.21 -0.03 0.00 0.13 0.00 0.00 31.00 30.89 1u96 h PRO 28 CO 0.00 0.61 0.16 0.93 -0.23 0.00 0.00 178.00 179.47 1u96 h GLU 29 N 0.95 0.32 -0.53 0.86 4.39 -1.95 -1.73 114.58 116.88 1u96 h GLU 29 Ca 0.32 -0.02 0.02 0.00 0.34 0.00 0.00 59.36 60.02 1u96 h GLU 29 Cb 0.05 -0.07 -0.03 0.00 -0.10 0.00 0.00 28.75 28.60 1u96 h GLU 29 CO -0.13 0.21 0.33 -0.22 -1.16 0.00 0.00 179.01 178.04 1u96 h LYS 30 N 0.33 0.63 -0.49 2.33 3.64 -1.83 -1.69 116.57 119.50 1u96 h LYS 30 Ca 0.14 -0.04 0.06 0.00 -1.27 0.00 0.00 60.65 59.54 1u96 h LYS 30 Cb 0.06 -0.14 -0.05 0.00 -0.41 0.00 0.00 32.23 31.69 1u96 h LYS 30 CO -0.11 0.42 0.20 0.93 -2.27 0.00 0.00 179.45 178.62 1u96 h GLU 31 N 0.65 0.38 -0.91 1.90 4.39 -0.91 -1.08 114.58 119.00 1u96 h GLU 31 Ca 0.21 -0.02 -0.00 0.00 0.34 0.00 0.00 59.36 59.88 1u96 h GLU 31 Cb 0.00 -0.09 -0.04 0.00 -0.10 0.00 0.00 28.75 28.52 1u96 h GLU 31 CO -0.09 0.25 0.55 0.93 -1.16 0.00 0.00 179.01 179.50 1u96 h GLU 32 N 0.39 1.23 0.07 2.33 5.08 -0.88 -1.33 114.58 121.47 1u96 h GLU 32 Ca 0.23 -0.11 -0.00 0.00 -1.00 0.00 0.00 59.36 58.47 1u96 h GLU 32 Cb 0.21 -0.26 0.00 0.00 0.50 0.00 0.00 28.75 29.20 1u96 h GLU 32 CO -0.21 0.86 -0.03 -0.09 -1.00 0.00 0.00 179.01 178.54 1u96 h ARG 33 N 1.25 -0.08 -0.42 2.33 2.43 -0.44 -1.52 114.38 117.92 1u96 h ARG 33 Ca 0.33 0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.51 1u96 h ARG 33 Cb -0.06 0.02 -0.02 0.00 -0.42 0.00 0.00 29.97 29.49 1u96 h ARG 33 CO -0.06 -0.00 0.28 -0.44 -1.51 0.00 0.00 179.97 178.23 1u96 h ASP 34 N -0.15 0.45 0.05 -3.80 3.32 -0.99 -2.02 116.42 113.29 1u96 h ASP 34 Ca -0.01 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.03 1u96 h ASP 34 Cb 0.12 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 39.56 1u96 h ASP 34 CO 0.01 0.32 -0.02 0.74 -1.72 0.00 0.00 179.24 178.58 1u96 h THR 35 N 0.53 1.11 -0.26 0.35 2.02 -0.81 -0.57 112.91 115.29 1u96 h THR 35 Ca 0.16 -0.53 0.05 0.00 0.77 0.00 0.00 66.41 66.86 1u96 h THR 35 Cb -0.01 1.46 -0.05 0.00 -1.74 0.00 0.00 68.15 67.81 1u96 h THR 35 CO -0.04 0.13 -0.07 0.00 0.37 0.00 0.00 175.52 175.92 1u96 h ILE 37 N -0.00 1.13 -0.48 0.00 2.04 -1.33 0.16 117.51 119.03 1u96 h ILE 37 Ca 0.13 -0.38 0.01 0.00 1.00 0.00 0.00 64.86 65.62 1u96 h ILE 37 Cb 0.20 -0.08 -0.02 0.00 -0.74 0.00 0.00 36.82 36.17 1u96 h ILE 37 CO -0.27 0.20 0.32 0.25 0.00 0.00 0.00 178.15 178.65 1u96 h LEU 38 N 1.12 0.53 0.00 1.44 5.85 -0.03 -3.22 115.31 120.99 1u96 h LEU 38 Ca 0.37 -0.01 0.00 0.00 0.84 0.00 0.00 57.88 59.08 1u96 h LEU 38 Cb 0.04 -0.13 0.00 0.00 0.37 0.00 0.00 40.66 40.94 1u96 h LEU 38 CO -0.13 0.38 0.00 0.49 -0.34 0.00 0.00 178.44 178.83 1u96 n PHE 39 N -4.47 0.00 -1.73 1.25 3.72 -0.39 -4.88 117.46 110.96 1u96 n PHE 39 Ca 0.05 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.45 1u96 n PHE 39 Cb 0.08 -0.23 0.00 0.00 -0.94 0.00 0.00 39.48 38.39 1u96 n PHE 39 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 1u96 n ASN 40 N -1.20 0.00 0.08 4.37 3.02 -0.52 -4.90 115.26 116.11 1u96 n ASN 40 Ca 0.00 -1.07 0.07 0.00 -0.03 0.00 0.00 54.58 53.55 1u96 n ASN 40 Cb 0.00 -0.01 0.34 0.00 -0.61 0.00 0.00 39.78 39.49 1u96 n ASN 40 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1u96 n GLY 41 N 0.00 -0.85 0.00 7.41 0.00 0.44 -1.11 105.19 111.09 1u96 n GLY 41 Ca 0.00 0.07 0.03 0.00 0.00 0.00 0.00 46.02 46.12 1u96 n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1u96 n GLN 42 N -1.88 0.30 0.00 1.61 6.02 -1.24 -2.79 117.38 119.39 1u96 n GLN 42 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.00 1u96 n GLN 42 Cb 0.08 -1.28 0.00 0.00 1.02 0.00 0.00 30.24 30.06 1u96 n GLN 42 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1u96 n ASP 43 N -0.78 0.00 0.00 1.08 2.03 -0.98 -4.86 116.55 113.05 1u96 n ASP 43 Ca 0.04 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.35 1u96 n ASP 43 Cb 0.02 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 40.42 1u96 n ASP 43 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1u96 n SER 44 N -0.85 0.00 -1.03 1.67 7.64 -0.27 -3.41 113.62 117.37 1u96 n SER 44 Ca 0.00 0.88 0.10 0.00 1.01 0.00 0.00 58.87 60.85 1u96 n SER 44 Cb 0.00 -0.38 0.23 0.00 -1.01 0.00 0.00 64.21 63.05 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1u96 n GLU 45 N -2.10 2.56 -1.09 1.43 1.02 -1.26 -4.93 120.64 116.26 1u96 n GLU 45 Ca 0.00 -2.28 -0.04 0.00 -0.02 0.00 0.00 57.16 54.82 1u96 n GLU 45 Cb 0.00 -1.44 -0.02 0.00 -0.02 0.00 0.00 31.44 29.96 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1u96 n LYS 46 N 1.20 -1.91 -1.37 3.49 4.01 -1.17 -2.58 118.16 119.84 1u96 n LYS 46 Ca 0.18 0.62 -0.11 0.00 -0.51 0.00 0.00 58.31 58.49 1u96 n LYS 46 Cb 0.54 -5.08 -0.04 0.00 -0.51 0.00 0.00 35.03 29.93 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u96 n LYS 48 N -1.77 0.64 -0.08 0.00 5.02 -1.06 -3.98 118.16 116.93 1u96 n LYS 48 Ca -0.11 0.15 -0.11 0.00 -2.02 0.00 0.00 58.31 56.22 1u96 n LYS 48 Cb 0.37 -1.72 -0.04 0.00 -0.02 0.00 0.00 35.03 33.62 1u96 n LYS 48 CO 0.00 0.00 0.00 0.93 -0.52 0.00 0.00 177.40 177.81 1u96 h GLU 49 N 0.00 0.39 -0.57 1.97 4.39 -1.86 -1.95 114.58 116.95 1u96 h GLU 49 Ca -0.24 -0.09 -0.04 0.00 0.34 0.00 0.00 59.36 59.33 1u96 h GLU 49 Cb 1.72 -0.05 -0.03 0.00 -0.10 0.00 0.00 28.75 30.29 1u96 h GLU 49 CO 0.04 0.48 0.20 0.74 -1.16 0.00 0.00 179.01 179.32 1u96 h PHE 50 N 0.22 0.84 -0.21 4.33 -1.00 -1.91 -0.73 116.94 118.47 1u96 h PHE 50 Ca 0.08 -0.05 -0.03 0.00 2.81 0.00 0.00 57.97 60.77 1u96 h PHE 50 Cb 0.27 -0.26 -0.01 0.00 3.61 0.00 0.00 35.95 39.56 1u96 h PHE 50 CO 0.01 0.67 -0.00 0.82 -1.61 0.00 0.00 178.31 178.20 1u96 h ILE 51 N 0.82 1.25 -0.10 -0.55 2.04 -1.65 -0.97 117.51 118.35 1u96 h ILE 51 Ca 0.19 -0.88 -0.01 0.00 1.00 0.00 0.00 64.86 65.16 1u96 h ILE 51 Cb 0.20 1.41 -0.00 0.00 -0.74 0.00 0.00 36.82 37.69 1u96 h ILE 51 CO -0.01 0.27 0.01 -0.33 0.00 0.00 0.00 178.15 178.09 1u96 h GLU 52 N 0.14 0.18 -0.73 2.37 5.08 -1.17 -1.18 114.58 119.27 1u96 h GLU 52 Ca 0.06 -0.05 0.07 0.00 -1.00 0.00 0.00 59.36 58.44 1u96 h GLU 52 Cb 0.40 -0.02 -0.05 0.00 0.50 0.00 0.00 28.75 29.59 1u96 h GLU 52 CO 0.01 0.40 0.48 0.87 -1.00 0.00 0.00 179.01 179.77 1u96 h LYS 53 N -0.08 0.72 0.78 2.33 1.57 -1.15 0.47 116.57 121.23 1u96 h LYS 53 Ca 0.03 -0.04 -0.04 0.00 -1.87 0.00 0.00 60.65 58.73 1u96 h LYS 53 Cb 0.32 -0.16 0.01 0.00 0.08 0.00 0.00 32.23 32.47 1u96 h LYS 53 CO 0.00 0.48 -0.38 -0.92 -0.57 0.00 0.00 179.45 178.07 1u96 h TYR 54 N 0.75 -0.98 -0.39 -1.35 3.20 -0.91 -1.31 116.97 115.98 1u96 h TYR 54 Ca 0.32 -0.02 0.11 0.00 3.14 0.00 0.00 58.73 62.28 1u96 h TYR 54 Cb 0.28 0.32 -0.02 0.00 1.54 0.00 0.00 36.73 38.86 1u96 h TYR 54 CO -0.00 -0.60 0.31 1.57 -1.64 0.00 0.00 178.16 177.80 1u96 h LYS 55 N -1.27 0.00 -0.12 1.82 2.10 -0.89 0.95 116.57 119.15 1u96 h LYS 55 Ca -0.11 0.00 -0.14 0.00 -2.00 0.00 0.00 60.65 58.40 1u96 h LYS 55 Cb 0.81 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 32.15 1u96 h LYS 55 CO 0.18 0.00 -0.49 1.49 -2.00 0.00 0.00 179.45 178.63 1u96 h GLU 56 N 0.00 0.54 -0.00 0.07 4.81 -0.72 -1.34 114.58 117.94 1u96 h GLU 56 Ca 0.18 -0.42 0.00 0.00 -0.13 0.00 0.00 59.36 58.99 1u96 h GLU 56 Cb 0.81 0.08 0.00 0.00 0.63 0.00 0.00 28.75 30.27 1u96 h GLU 56 CO -0.00 1.05 -0.22 0.00 -0.73 0.00 0.00 179.01 179.11 1u96 n MET 58 N -1.47 0.78 0.31 0.00 2.81 0.21 -4.28 117.12 115.48 1u96 n MET 58 Ca 0.07 0.00 0.19 0.00 -1.81 0.00 0.00 57.70 56.15 1u96 n MET 58 Cb 0.33 -1.50 1.03 0.00 -0.71 0.00 0.00 33.22 32.37 1u96 n MET 58 CO 0.00 0.00 0.00 1.57 1.51 0.00 0.00 175.97 179.05 1u96 h LYS 59 N 0.00 0.00 -2.90 0.03 2.10 -1.35 -0.14 116.57 114.31 1u96 h LYS 59 Ca -0.54 0.00 -0.70 0.00 -2.00 0.00 0.00 60.65 57.41 1u96 h LYS 59 Cb 2.19 0.00 -0.04 0.00 -0.90 0.00 0.00 32.23 33.47 1u96 h LYS 59 CO 0.02 0.02 3.17 0.41 -2.00 0.00 0.00 179.45 181.06 1u96 n GLY 60 N -0.98 4.68 2.42 0.07 0.00 -1.26 -4.58 105.19 105.54 1u96 n GLY 60 Ca -0.02 -1.76 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1u96 n GLY 60 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1u96 n TYR 61 N 2.91 -0.14 0.04 1.61 4.02 -1.22 -4.79 117.16 119.58 1u96 n TYR 61 Ca 0.70 0.00 -0.00 0.00 -0.01 0.00 0.00 57.90 58.58 1u96 n TYR 61 Cb 0.25 -2.75 -0.07 0.00 -0.02 0.00 0.00 39.34 36.74 1u96 n TYR 61 CO 0.00 0.00 0.00 0.78 -1.01 0.00 0.00 176.86 176.63 1u96 h GLY 62 N 0.00 0.00 -5.93 2.72 0.00 -1.46 -3.48 103.07 94.93 1u96 h GLY 62 Ca -0.27 0.00 0.12 0.00 0.00 0.00 0.00 47.33 47.18 1u96 h GLY 62 CO 0.40 0.00 0.52 -0.12 0.00 0.00 0.00 176.54 177.35 1u96 s PHE 63 N -2.91 -0.40 0.40 5.60 5.36 -0.18 -4.88 117.98 120.97 1u96 s PHE 63 Ca -0.02 0.86 -0.27 0.00 -0.96 0.00 0.00 56.93 56.55 1u96 s PHE 63 Cb 0.09 0.32 -0.09 0.00 -0.34 0.00 0.00 43.02 43.00 1u96 s PHE 63 CO 0.80 -0.20 1.37 -1.83 -1.46 0.00 0.00 175.22 173.91 1u96 s GLU 64 N 0.83 3.96 -0.02 10.12 -1.05 -1.26 -4.43 118.70 126.85 1u96 s GLU 64 Ca -0.03 2.31 0.00 0.00 -0.15 0.00 0.00 54.97 57.10 1u96 s GLU 64 Cb -0.04 -2.81 0.02 0.00 -0.44 0.00 0.00 34.13 30.86 1u96 s GLU 64 CO -0.12 -0.55 0.00 0.08 0.95 0.00 0.00 175.26 175.62 1u96 s VAL 65 N -1.20 0.10 0.32 1.83 1.01 -1.26 -4.66 120.40 116.53 1u96 s VAL 65 Ca 0.56 0.08 0.01 0.00 0.00 0.00 0.00 61.98 62.63 1u96 s VAL 65 Cb -0.41 -0.18 0.19 0.00 0.00 0.00 0.00 36.38 35.98 1u96 s VAL 65 CO 0.54 0.10 1.90 -0.65 0.00 0.00 0.00 175.10 176.99 1u96 h PRO 66 N 6.94 0.76 -7.08 2.72 0.11 -1.94 -3.44 132.00 130.07 1u96 h PRO 66 Ca -0.39 -0.12 -0.55 0.00 0.11 0.00 0.00 66.00 65.06 1u96 h PRO 66 Cb 1.15 -0.13 0.14 0.00 0.11 0.00 0.00 31.00 32.26 1u96 h PRO 66 CO 0.49 0.63 0.55 0.45 -0.21 0.00 0.00 178.00 179.91 1u96 s SER 67 N -6.58 5.00 0.54 -2.05 0.15 -1.26 -4.77 113.70 104.73 1u96 s SER 67 Ca -0.09 2.64 0.00 0.00 0.70 0.00 0.00 55.95 59.19 1u96 s SER 67 Cb 0.16 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.85 1u96 s SER 67 CO 0.78 -1.74 0.00 0.00 1.20 0.00 0.00 173.24 173.48 1u96 n ALA 68 N -1.46 -2.54 0.68 5.45 0.00 -1.26 -5.16 120.51 116.23 1u96 n ALA 68 Ca 0.13 0.30 0.08 0.00 0.00 0.00 0.00 53.44 53.96 1u96 n ALA 68 Cb 0.47 -0.87 0.07 0.00 0.00 0.00 0.00 19.45 19.11 1u96 n ALA 68 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59