#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 h THR 2 N 0.00 1.24 -2.43 2.03 1.35 -2.12 -3.43 112.91 109.55 1u96 h THR 2 Ca 0.00 -2.06 -0.53 0.00 -0.55 0.00 0.00 66.41 63.27 1u96 h THR 2 Cb 0.00 2.47 -0.05 0.00 -1.73 0.00 0.00 68.15 68.85 1u96 h THR 2 CO 0.00 0.42 1.23 -1.61 -0.25 0.00 0.00 175.52 175.31 1u96 s GLU 3 N -2.17 3.03 -0.06 4.72 2.02 -1.26 -4.87 118.70 120.11 1u96 s GLU 3 Ca -0.19 0.64 -0.01 0.00 0.02 0.00 0.00 54.97 55.42 1u96 s GLU 3 Cb -0.00 -4.25 -0.00 0.00 0.10 0.00 0.00 34.13 29.98 1u96 s GLU 3 CO 0.55 -2.26 -0.03 1.79 0.02 0.00 0.00 175.26 175.33 1u96 h THR 4 N 6.63 0.00 -3.12 3.63 1.35 -2.07 -3.45 112.91 115.88 1u96 h THR 4 Ca -0.28 -0.53 -0.58 0.00 -0.55 0.00 0.00 66.41 64.47 1u96 h THR 4 Cb 1.13 0.00 -0.06 0.00 -1.73 0.00 0.00 68.15 67.49 1u96 h THR 4 CO 1.18 0.00 0.78 -1.81 -0.25 0.00 0.00 175.52 175.42 1u96 s ASP 5 N -4.46 7.06 0.32 5.36 1.11 -1.26 -4.77 116.67 120.03 1u96 s ASP 5 Ca -0.02 1.31 0.00 0.00 0.18 0.00 0.00 52.55 54.02 1u96 s ASP 5 Cb 0.00 -2.53 0.00 0.00 1.07 0.00 0.00 42.92 41.46 1u96 s ASP 5 CO 0.03 -0.68 0.00 1.17 1.18 0.00 0.00 175.17 176.87 1u96 n LYS 6 N 6.36 0.00 -1.79 8.23 4.81 -1.26 -5.07 118.16 129.45 1u96 n LYS 6 Ca 0.12 0.00 -0.42 0.00 -0.87 0.00 0.00 58.31 57.13 1u96 n LYS 6 Cb 0.46 0.00 -0.03 0.00 0.02 0.00 0.00 35.03 35.48 1u96 n LYS 6 CO 0.00 0.00 0.00 0.15 1.17 0.00 0.00 177.40 178.72 1u96 s LYS 7 N -2.00 3.94 0.43 1.64 3.01 -1.26 -4.98 119.74 120.51 1u96 s LYS 7 Ca 0.00 2.31 -0.05 0.00 -1.01 0.00 0.00 55.97 57.23 1u96 s LYS 7 Cb 0.00 -4.14 0.09 0.00 -1.01 0.00 0.00 37.83 32.77 1u96 s LYS 7 CO 0.00 -1.16 0.58 1.04 0.51 0.00 0.00 175.35 176.32 1u96 n GLN 8 N 7.67 -0.24 0.19 1.68 6.02 -1.26 -4.97 117.38 126.46 1u96 n GLN 8 Ca 0.21 -1.16 0.04 0.00 -0.01 0.00 0.00 57.00 56.08 1u96 n GLN 8 Cb 0.43 -0.52 0.37 0.00 1.02 0.00 0.00 30.24 31.54 1u96 n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1u96 h GLU 9 N 0.00 0.00 0.00 -1.09 4.81 -2.07 -3.49 114.58 112.74 1u96 h GLU 9 Ca -0.19 0.00 0.20 0.00 -0.13 0.00 0.00 59.36 59.24 1u96 h GLU 9 Cb 0.59 0.00 -0.05 0.00 0.63 0.00 0.00 28.75 29.92 1u96 h GLU 9 CO 0.16 0.38 -0.27 1.04 -0.73 0.00 0.00 179.01 179.59 1u96 n GLN 10 N -3.78 -1.52 -1.75 1.92 6.02 -1.26 -4.81 117.38 112.21 1u96 n GLN 10 Ca -0.01 1.00 -0.32 0.00 -0.01 0.00 0.00 57.00 57.66 1u96 n GLN 10 Cb 0.45 -1.85 0.03 0.00 1.02 0.00 0.00 30.24 29.90 1u96 n GLN 10 CO 0.00 0.00 0.00 -1.21 -1.01 0.00 0.00 177.06 174.84 1u96 s GLU 11 N -1.15 3.09 -0.08 -1.09 8.01 -1.26 -4.95 118.70 121.26 1u96 s GLU 11 Ca 0.00 1.04 0.14 0.00 0.01 0.00 0.00 54.97 56.16 1u96 s GLU 11 Cb 0.00 -2.01 0.53 0.00 -4.31 0.00 0.00 34.13 28.34 1u96 s GLU 11 CO 0.00 -0.98 1.40 0.09 0.01 0.00 0.00 175.26 175.78 1u96 n ASN 12 N -2.72 3.58 -2.59 -0.19 3.02 -1.26 -4.99 115.26 110.10 1u96 n ASN 12 Ca 0.08 -2.30 -0.05 0.00 -0.03 0.00 0.00 54.58 52.28 1u96 n ASN 12 Cb 0.53 -0.48 -0.04 0.00 -0.61 0.00 0.00 39.78 39.18 1u96 n ASN 12 CO 0.00 0.00 0.00 1.41 -2.62 0.00 0.00 177.26 176.05 1u96 n HIS 13 N 0.81 -4.38 0.00 3.10 8.25 -1.26 -5.01 115.22 116.72 1u96 n HIS 13 Ca 0.19 2.47 0.00 0.00 -0.26 0.00 0.00 57.72 60.12 1u96 n HIS 13 Cb 0.67 -3.92 0.00 0.00 1.12 0.00 0.00 29.99 27.86 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1u96 n ALA 14 N 1.53 0.03 -1.33 -1.41 0.00 -1.26 -5.13 120.51 112.94 1u96 n ALA 14 Ca -0.36 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 52.76 1u96 n ALA 14 Cb 0.56 0.00 0.08 0.00 0.00 0.00 0.00 19.45 20.09 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 177.50 175.67 1u96 s GLU 15 N -0.13 2.40 0.61 0.00 -1.05 -1.26 -5.02 118.70 114.25 1u96 s GLU 15 Ca 0.00 1.28 -0.13 0.00 -0.15 0.00 0.00 54.97 55.97 1u96 s GLU 15 Cb 0.00 -1.91 -0.04 0.00 -0.44 0.00 0.00 34.13 31.74 1u96 s GLU 15 CO 0.00 -1.54 1.03 0.00 0.95 0.00 0.00 175.26 175.70 1u96 n GLU 17 N -2.46 2.81 -2.00 0.00 4.07 -1.26 -5.08 120.64 116.72 1u96 n GLU 17 Ca 0.07 0.00 -0.03 0.00 -0.06 0.00 0.00 57.16 57.14 1u96 n GLU 17 Cb 0.54 -0.94 -0.00 0.00 -0.06 0.00 0.00 31.44 30.98 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1u96 n ASP 18 N -1.69 1.68 -3.02 4.31 8.00 -1.26 -4.45 116.55 120.13 1u96 n ASP 18 Ca 0.00 -1.19 -0.11 0.00 0.71 0.00 0.00 54.79 54.20 1u96 n ASP 18 Cb 0.33 0.02 0.01 0.00 -0.02 0.00 0.00 41.12 41.46 1u96 n ASP 18 CO 0.00 0.00 0.00 2.29 -0.39 0.00 0.00 177.20 179.10 1u96 n LYS 19 N -0.35 -0.69 -0.02 -1.24 2.85 -1.26 -4.88 118.16 112.56 1u96 n LYS 19 Ca -0.01 0.86 -0.20 0.00 -1.05 0.00 0.00 58.31 57.92 1u96 n LYS 19 Cb 0.06 -1.15 -0.13 0.00 -0.65 0.00 0.00 35.03 33.15 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 -0.05 0.00 0.00 177.40 176.35 1u96 h PRO 20 N 2.87 0.15 0.00 -1.58 0.13 -1.92 -3.45 132.00 128.21 1u96 h PRO 20 Ca -0.16 -0.26 -0.16 0.00 -0.87 0.00 0.00 66.00 64.55 1u96 h PRO 20 Cb 1.01 0.10 -0.12 0.00 0.13 0.00 0.00 31.00 32.12 1u96 h PRO 20 CO 0.06 1.13 -0.17 0.36 -0.23 0.00 0.00 178.00 179.15 1u96 n LYS 21 N -4.21 0.87 -1.25 0.86 2.85 -1.26 -5.09 118.16 110.93 1u96 n LYS 21 Ca -0.21 -1.27 -0.51 0.00 -1.05 0.00 0.00 58.31 55.27 1u96 n LYS 21 Cb 0.75 0.06 -0.08 0.00 -0.65 0.00 0.00 35.03 35.11 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 -0.05 0.00 0.00 177.40 175.05 1u96 n PRO 22 N -0.71 0.00 -0.08 -1.58 -0.01 -1.26 -4.94 135.00 126.42 1u96 n PRO 22 Ca -0.12 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.37 1u96 n PRO 22 Cb 0.78 -1.17 0.00 0.00 -0.01 0.00 0.00 33.50 33.10 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 175.50 175.49 1u96 n VAL 25 N -3.20 0.61 1.38 0.00 3.14 -1.26 -2.56 118.33 116.44 1u96 n VAL 25 Ca 0.02 0.15 0.11 0.00 -2.96 0.00 0.00 64.34 61.66 1u96 n VAL 25 Cb 0.46 -0.88 0.66 0.00 -1.06 0.00 0.00 33.84 33.02 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1u96 n LYS 27 N -1.04 -2.96 0.26 0.00 4.76 -1.06 -4.15 118.16 113.97 1u96 n LYS 27 Ca 0.16 2.39 0.18 0.00 -2.87 0.00 0.00 58.31 58.17 1u96 n LYS 27 Cb 0.09 -3.47 0.87 0.00 -1.84 0.00 0.00 35.03 30.69 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1u96 h PRO 28 N -1.27 0.00 -1.01 1.97 0.13 -1.94 -3.06 132.00 126.83 1u96 h PRO 28 Ca -0.16 0.00 0.29 0.00 -0.87 0.00 0.00 66.00 65.26 1u96 h PRO 28 Cb 1.23 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.22 1u96 h PRO 28 CO 0.06 0.00 0.58 0.93 -0.23 0.00 0.00 178.00 179.35 1u96 h GLU 29 N 0.00 0.41 -0.15 0.86 4.39 -2.00 0.16 114.58 118.26 1u96 h GLU 29 Ca 0.00 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.67 1u96 h GLU 29 Cb 0.16 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1u96 h GLU 29 CO 0.00 0.27 0.07 -0.22 -1.16 0.00 0.00 179.01 177.97 1u96 h LYS 30 N 0.43 0.21 -0.97 2.33 3.64 -1.69 -1.06 116.57 119.45 1u96 h LYS 30 Ca 0.70 -0.03 0.03 0.00 -1.27 0.00 0.00 60.65 60.07 1u96 h LYS 30 Cb 1.50 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 33.23 1u96 h LYS 30 CO -0.55 0.27 0.64 0.93 -2.27 0.00 0.00 179.45 178.47 1u96 h GLU 31 N 0.11 1.22 -0.30 1.90 4.39 -0.95 -1.71 114.58 119.24 1u96 h GLU 31 Ca 0.05 -0.07 -0.10 0.00 0.34 0.00 0.00 59.36 59.58 1u96 h GLU 31 Cb 0.13 -0.28 -0.01 0.00 -0.10 0.00 0.00 28.75 28.49 1u96 h GLU 31 CO -0.01 0.81 -0.21 0.93 -1.16 0.00 0.00 179.01 179.37 1u96 h GLU 32 N 1.26 0.57 0.21 2.33 5.08 -0.98 -1.55 114.58 121.51 1u96 h GLU 32 Ca 0.38 -0.21 -0.01 0.00 -1.00 0.00 0.00 59.36 58.52 1u96 h GLU 32 Cb -0.05 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.17 1u96 h GLU 32 CO -0.11 0.75 -0.10 -0.09 -1.00 0.00 0.00 179.01 178.46 1u96 h ARG 33 N 0.51 -0.28 -0.77 2.33 2.43 -0.35 -0.55 114.38 117.70 1u96 h ARG 33 Ca 0.08 0.02 0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1u96 h ARG 33 Cb 0.65 0.06 -0.04 0.00 -0.42 0.00 0.00 29.97 30.23 1u96 h ARG 33 CO 0.05 -0.06 0.51 0.22 -1.51 0.00 0.00 179.97 179.17 1u96 h ASP 34 N -0.45 0.87 -0.74 -3.80 3.58 -1.30 -1.78 116.42 112.79 1u96 h ASP 34 Ca -0.03 -0.02 -0.01 0.00 0.42 0.00 0.00 57.03 57.39 1u96 h ASP 34 Cb 0.35 -0.21 -0.04 0.00 1.72 0.00 0.00 39.33 41.14 1u96 h ASP 34 CO 0.05 0.63 0.42 0.74 -2.88 0.00 0.00 179.24 178.19 1u96 h THR 35 N 1.03 1.22 -0.19 2.25 2.02 -1.16 0.14 112.91 118.22 1u96 h THR 35 Ca 0.29 -0.54 -0.01 0.00 0.77 0.00 0.00 66.41 66.91 1u96 h THR 35 Cb -0.10 0.19 -0.01 0.00 -1.74 0.00 0.00 68.15 66.49 1u96 h THR 35 CO -0.07 0.25 0.07 0.00 0.37 0.00 0.00 175.52 176.13 1u96 h ILE 37 N 0.14 0.10 0.01 0.00 2.04 -1.01 0.14 117.51 118.93 1u96 h ILE 37 Ca 0.06 -0.69 -0.05 0.00 1.00 0.00 0.00 64.86 65.18 1u96 h ILE 37 Cb 0.21 1.63 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 1u96 h ILE 37 CO -0.00 0.04 -0.22 0.25 0.00 0.00 0.00 178.15 178.22 1u96 h LEU 38 N 0.00 0.17 0.00 1.44 6.46 -0.33 -3.03 115.31 120.02 1u96 h LEU 38 Ca -0.00 -0.82 -0.03 0.00 -0.12 0.00 0.00 57.88 56.91 1u96 h LEU 38 Cb 0.63 -0.05 -0.00 0.00 -0.73 0.00 0.00 40.66 40.50 1u96 h LEU 38 CO 0.01 0.98 -0.41 -0.26 -0.62 0.00 0.00 178.44 178.13 1u96 h PHE 39 N -0.61 0.00 0.18 1.25 -1.00 -1.24 -3.42 116.94 112.10 1u96 h PHE 39 Ca -0.03 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.74 1u96 h PHE 39 Cb 1.02 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.58 1u96 h PHE 39 CO 0.20 0.26 -0.09 -0.91 -1.61 0.00 0.00 178.31 176.16 1u96 h ASN 40 N -1.00 -0.21 -4.83 2.17 4.21 -0.98 -3.51 115.58 111.43 1u96 h ASN 40 Ca -0.04 0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.47 1u96 h ASN 40 Cb 0.49 0.05 0.00 0.00 -1.12 0.00 0.00 38.32 37.74 1u96 h ASN 40 CO -0.03 0.11 0.00 0.61 -1.29 0.00 0.00 177.43 176.83 1u96 n GLY 41 N 0.98 2.77 0.09 2.83 0.00 -0.41 -4.67 105.19 106.78 1u96 n GLY 41 Ca -0.03 -2.06 0.13 0.00 0.00 0.00 0.00 46.02 44.06 1u96 n GLY 41 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1u96 n GLN 42 N -1.17 0.20 0.14 1.61 7.27 -1.26 -2.95 117.38 121.22 1u96 n GLN 42 Ca 0.00 0.22 0.06 0.00 0.07 0.00 0.00 57.00 57.35 1u96 n GLN 42 Cb 0.00 -1.76 0.04 0.00 2.41 0.00 0.00 30.24 30.94 1u96 n GLN 42 CO 0.00 0.00 0.00 0.38 0.07 0.00 0.00 177.06 177.51 1u96 h ASP 43 N 0.00 0.00 -1.49 1.69 3.04 -1.93 -3.42 116.42 114.30 1u96 h ASP 43 Ca 0.00 0.00 -0.48 0.00 -3.24 0.00 0.00 57.03 53.31 1u96 h ASP 43 Cb 0.61 0.00 -0.00 0.00 -1.04 0.00 0.00 39.33 38.89 1u96 h ASP 43 CO 0.00 0.32 1.63 -1.20 -2.04 0.00 0.00 179.24 177.95 1u96 n SER 44 N -3.08 2.23 0.00 4.15 7.64 -1.15 -4.47 113.62 118.95 1u96 n SER 44 Ca 0.01 -0.36 0.00 0.00 1.01 0.00 0.00 58.87 59.52 1u96 n SER 44 Cb 0.67 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.35 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 8.92 0.00 0.00 1.43 -0.58 -1.26 -3.61 120.64 125.54 1u96 n GLU 45 Ca 0.39 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 57.13 1u96 n GLU 45 Cb 0.49 0.00 0.00 0.00 -0.57 0.00 0.00 31.44 31.36 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.48 0.00 0.00 177.13 178.28 1u96 n LYS 46 N 0.00 0.00 -1.66 3.49 4.76 -1.26 -5.01 118.16 118.48 1u96 n LYS 46 Ca 0.00 0.00 -0.17 0.00 -2.87 0.00 0.00 58.31 55.27 1u96 n LYS 46 Cb 0.00 -0.11 -0.06 0.00 -1.84 0.00 0.00 35.03 33.02 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 h LYS 48 N 0.00 0.00 -0.96 0.00 3.64 -1.95 -3.12 116.57 114.17 1u96 h LYS 48 Ca -0.36 0.00 0.04 0.00 -1.27 0.00 0.00 60.65 59.05 1u96 h LYS 48 Cb 1.16 0.00 -0.06 0.00 -0.41 0.00 0.00 32.23 32.92 1u96 h LYS 48 CO 0.51 0.39 0.63 1.49 -2.27 0.00 0.00 179.45 180.21 1u96 h GLU 49 N 0.00 1.18 -0.16 1.90 4.57 -2.00 -1.14 114.58 118.93 1u96 h GLU 49 Ca -0.00 -0.07 -0.12 0.00 -1.18 0.00 0.00 59.36 57.98 1u96 h GLU 49 Cb 0.95 -0.27 -0.01 0.00 -0.16 0.00 0.00 28.75 29.26 1u96 h GLU 49 CO 0.05 0.78 -0.42 0.74 -1.18 0.00 0.00 179.01 178.98 1u96 h PHE 50 N 1.22 0.45 0.16 0.92 0.04 -1.94 -1.65 116.94 116.13 1u96 h PHE 50 Ca 0.38 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 61.02 1u96 h PHE 50 Cb 0.01 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 38.06 1u96 h PHE 50 CO -0.00 0.75 -0.08 0.82 -0.60 0.00 0.00 178.31 179.20 1u96 h ILE 51 N 0.32 0.98 -0.61 -0.55 2.04 -1.39 -1.19 117.51 117.11 1u96 h ILE 51 Ca 0.03 -0.90 -0.02 0.00 1.00 0.00 0.00 64.86 64.97 1u96 h ILE 51 Cb 0.88 1.50 -0.03 0.00 -0.74 0.00 0.00 36.82 38.43 1u96 h ILE 51 CO 0.07 0.20 0.30 -0.33 0.00 0.00 0.00 178.15 178.39 1u96 h GLU 52 N -0.67 0.87 0.13 2.37 5.08 -1.28 -1.65 114.58 119.42 1u96 h GLU 52 Ca -0.02 -0.12 -0.01 0.00 -1.00 0.00 0.00 59.36 58.21 1u96 h GLU 52 Cb 0.49 -0.16 0.00 0.00 0.50 0.00 0.00 28.75 29.58 1u96 h GLU 52 CO 0.04 0.69 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.45 1u96 h LYS 53 N 0.83 -0.16 0.37 2.33 3.64 -1.35 -0.89 116.57 121.32 1u96 h LYS 53 Ca 0.21 0.01 -0.01 0.00 -1.27 0.00 0.00 60.65 59.59 1u96 h LYS 53 Cb 0.10 0.04 -0.03 0.00 -0.41 0.00 0.00 32.23 31.93 1u96 h LYS 53 CO -0.03 -0.00 -0.45 -0.92 -2.27 0.00 0.00 179.45 175.77 1u96 h TYR 54 N -0.29 -1.27 -0.76 1.91 3.20 -1.10 -0.75 116.97 117.91 1u96 h TYR 54 Ca -0.02 0.02 0.14 0.00 3.14 0.00 0.00 58.73 62.01 1u96 h TYR 54 Cb 0.24 0.51 -0.09 0.00 1.54 0.00 0.00 36.73 38.92 1u96 h TYR 54 CO -0.03 -0.58 0.32 0.87 -1.64 0.00 0.00 178.16 177.10 1u96 h LYS 55 N -0.84 0.46 -0.49 1.82 1.57 -1.33 0.23 116.57 117.99 1u96 h LYS 55 Ca -0.04 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.74 1u96 h LYS 55 Cb 0.75 -0.10 -0.03 0.00 0.08 0.00 0.00 32.23 32.93 1u96 h LYS 55 CO -0.10 0.30 0.32 1.49 -0.57 0.00 0.00 179.45 180.89 1u96 h GLU 56 N 0.47 0.52 0.00 3.15 4.81 -0.73 0.29 114.58 123.09 1u96 h GLU 56 Ca 0.42 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.62 1u96 h GLU 56 Cb 0.62 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.89 1u96 h GLU 56 CO -0.39 0.34 -0.33 0.00 -0.73 0.00 0.00 179.01 177.90 1u96 n MET 58 N -2.61 0.00 0.00 0.00 2.81 0.23 -4.26 117.12 113.29 1u96 n MET 58 Ca 0.03 0.31 0.08 0.00 -1.81 0.00 0.00 57.70 56.32 1u96 n MET 58 Cb 0.49 -0.79 0.42 0.00 -0.71 0.00 0.00 33.22 32.63 1u96 n MET 58 CO 0.00 0.00 0.00 0.36 1.51 0.00 0.00 175.97 177.84 1u96 n LYS 59 N -1.85 0.20 0.30 0.03 -0.00 -0.29 -2.34 118.16 114.20 1u96 n LYS 59 Ca 0.00 0.14 0.20 0.00 -0.00 0.00 0.00 58.31 58.65 1u96 n LYS 59 Cb 0.00 -1.50 0.94 0.00 -0.00 0.00 0.00 35.03 34.47 1u96 n LYS 59 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1u96 h GLY 60 N 2.84 0.00 0.00 2.58 0.00 -1.57 -3.35 103.07 103.57 1u96 h GLY 60 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1u96 h GLY 60 CO 0.00 0.00 -0.51 2.98 0.00 0.00 0.00 176.54 179.01 1u96 n TYR 61 N -3.03 -0.15 0.00 5.60 9.36 -1.12 -5.05 117.16 122.76 1u96 n TYR 61 Ca -0.01 0.03 0.00 0.00 3.32 0.00 0.00 57.90 61.24 1u96 n TYR 61 Cb 0.18 0.21 0.00 0.00 -0.63 0.00 0.00 39.34 39.10 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 0.22 0.00 0.00 176.86 177.49 1u96 n GLY 62 N 2.43 1.41 0.00 2.98 0.00 -0.99 -5.09 105.19 105.93 1u96 n GLY 62 Ca 0.00 -0.88 0.00 0.00 0.00 0.00 0.00 46.02 45.14 1u96 n GLY 62 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 1u96 n PHE 63 N 1.21 0.00 -3.11 1.61 1.16 -1.26 -5.09 117.46 111.98 1u96 n PHE 63 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 57.45 55.58 1u96 n PHE 63 Cb 0.00 0.00 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.91 -1.87 0.00 0.00 176.76 172.98 1u96 n GLU 64 N 0.00 0.00 -1.19 3.97 4.07 -1.26 -5.03 120.64 121.20 1u96 n GLU 64 Ca 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 57.16 57.10 1u96 n GLU 64 Cb 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 31.44 31.38 1u96 n GLU 64 CO 0.00 0.00 0.00 0.28 -0.06 0.00 0.00 177.13 177.35 1u96 n VAL 65 N 0.00 -4.06 0.18 6.31 0.31 -1.26 -4.81 118.33 114.99 1u96 n VAL 65 Ca 0.00 1.70 0.06 0.00 -0.01 0.00 0.00 64.34 66.09 1u96 n VAL 65 Cb 0.00 -2.53 0.18 0.00 -0.91 0.00 0.00 33.84 30.57 1u96 n VAL 65 CO 0.00 0.00 0.00 -0.65 -1.32 0.00 0.00 176.83 174.86 1u96 h PRO 66 N 1.81 0.00 -6.27 5.55 0.11 -1.90 -3.45 132.00 127.85 1u96 h PRO 66 Ca 0.00 0.00 -0.56 0.00 0.11 0.00 0.00 66.00 65.55 1u96 h PRO 66 Cb 0.00 0.00 -0.04 0.00 0.11 0.00 0.00 31.00 31.07 1u96 h PRO 66 CO 0.00 0.34 0.03 -1.12 -0.21 0.00 0.00 178.00 177.05 1u96 s SER 67 N -6.34 7.13 -0.20 -2.05 0.01 -1.26 -4.69 113.70 106.30 1u96 s SER 67 Ca 0.03 1.34 -0.12 0.00 1.31 0.00 0.00 55.95 58.52 1u96 s SER 67 Cb 0.08 -2.40 0.05 0.00 0.21 0.00 0.00 66.02 63.95 1u96 s SER 67 CO 0.70 0.20 0.23 0.00 0.41 0.00 0.00 173.24 174.79 1u96 n ALA 68 N 1.99 -3.72 -1.10 1.44 0.00 -1.26 -4.96 120.51 112.91 1u96 n ALA 68 Ca -0.08 2.32 0.00 0.00 0.00 0.00 0.00 53.44 55.68 1u96 n ALA 68 Cb 0.50 -4.52 0.00 0.00 0.00 0.00 0.00 19.45 15.43 1u96 n ALA 68 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77