#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 2.39 0.61 3.17 -4.23 -1.26 -5.16 115.64 111.17 1u96 s THR 2 Ca 0.00 -2.35 -0.00 0.00 -1.18 0.00 0.00 61.69 58.16 1u96 s THR 2 Cb 0.00 -2.37 0.12 0.00 1.34 0.00 0.00 72.50 71.59 1u96 s THR 2 CO 0.00 -0.36 0.84 -0.62 -0.54 0.00 0.00 174.62 173.93 1u96 n GLU 3 N -0.65 0.02 0.23 3.99 1.02 -1.26 -5.05 120.64 118.94 1u96 n GLU 3 Ca -0.05 -2.29 -0.09 0.00 -0.02 0.00 0.00 57.16 54.71 1u96 n GLU 3 Cb 0.61 -0.55 -0.04 0.00 -0.02 0.00 0.00 31.44 31.43 1u96 n GLU 3 CO 0.00 0.00 0.00 1.79 1.18 0.00 0.00 177.13 180.10 1u96 h THR 4 N -0.56 0.00 -4.13 2.62 1.35 -2.07 -3.47 112.91 106.65 1u96 h THR 4 Ca -0.28 -0.13 -0.12 0.00 -0.55 0.00 0.00 66.41 65.33 1u96 h THR 4 Cb 1.03 0.00 -0.15 0.00 -1.73 0.00 0.00 68.15 67.30 1u96 h THR 4 CO 0.30 0.00 -0.56 1.51 -0.25 0.00 0.00 175.52 176.51 1u96 s ASP 5 N -3.44 0.33 0.11 5.36 -4.77 -1.26 -5.09 116.67 107.90 1u96 s ASP 5 Ca -0.09 -0.93 0.00 0.00 -3.30 0.00 0.00 52.55 48.23 1u96 s ASP 5 Cb 0.01 0.27 0.00 0.00 -1.09 0.00 0.00 42.92 42.11 1u96 s ASP 5 CO 0.26 -0.68 0.00 1.17 0.70 0.00 0.00 175.17 176.63 1u96 n LYS 6 N 0.01 0.00 -1.86 2.11 4.81 -1.26 -5.02 118.16 116.94 1u96 n LYS 6 Ca -0.12 0.00 -0.41 0.00 -0.87 0.00 0.00 58.31 56.90 1u96 n LYS 6 Cb 0.62 -0.08 -0.03 0.00 0.02 0.00 0.00 35.03 35.56 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 -1.47 3.00 0.25 1.64 3.01 -1.26 -4.60 119.74 120.31 1u96 s LYS 7 Ca 0.00 1.41 0.00 0.00 -1.01 0.00 0.00 55.97 56.37 1u96 s LYS 7 Cb 0.00 -4.32 0.00 0.00 -1.01 0.00 0.00 37.83 32.50 1u96 s LYS 7 CO 0.00 -2.26 0.00 0.94 0.51 0.00 0.00 175.35 174.54 1u96 n GLN 8 N 8.71 0.00 0.00 1.68 7.27 -1.26 -4.95 117.38 128.83 1u96 n GLN 8 Ca 0.26 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.33 1u96 n GLN 8 Cb 0.48 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.13 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 -3.32 1.07 -2.47 3.69 1.02 -1.26 -5.09 120.64 114.28 1u96 n GLU 9 Ca 0.00 -0.84 -0.03 0.00 -0.02 0.00 0.00 57.16 56.27 1u96 n GLU 9 Cb 0.00 -0.74 -0.03 0.00 -0.02 0.00 0.00 31.44 30.65 1u96 n GLU 9 CO 0.00 0.00 0.00 1.04 1.18 0.00 0.00 177.13 179.35 1u96 n GLN 10 N -0.19 -4.88 0.00 3.49 3.00 -1.26 -4.60 117.38 112.94 1u96 n GLN 10 Ca 0.00 3.61 0.00 0.00 -0.01 0.00 0.00 57.00 60.60 1u96 n GLN 10 Cb 0.33 -4.90 0.00 0.00 0.00 0.00 0.00 30.24 25.67 1u96 n GLN 10 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 1u96 n GLU 11 N 1.76 0.00 -0.04 -1.09 1.02 -1.26 -3.30 120.64 117.73 1u96 n GLU 11 Ca -0.23 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 56.97 1u96 n GLU 11 Cb 0.36 0.00 0.30 0.00 -0.02 0.00 0.00 31.44 32.08 1u96 n GLU 11 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1u96 n ASN 12 N -3.11 0.53 -4.69 1.62 5.03 -1.26 -4.88 115.26 108.50 1u96 n ASN 12 Ca 0.00 -1.72 -0.42 0.00 0.87 0.00 0.00 54.58 53.31 1u96 n ASN 12 Cb 0.00 -0.05 -0.03 0.00 -1.02 0.00 0.00 39.78 38.68 1u96 n ASN 12 CO 0.00 0.00 0.00 -2.28 -1.83 0.00 0.00 177.26 173.15 1u96 s HIS 13 N -1.90 2.08 0.00 3.10 2.46 -1.21 -4.69 115.29 115.13 1u96 s HIS 13 Ca 0.20 -0.07 0.00 0.00 0.47 0.00 0.00 55.06 55.65 1u96 s HIS 13 Cb 0.10 -4.20 0.00 0.00 -0.13 0.00 0.00 32.58 28.35 1u96 s HIS 13 CO 0.15 -4.98 0.00 0.00 -2.47 0.00 0.00 174.74 167.44 1u96 n ALA 14 N 5.77 0.00 -1.21 1.58 0.00 -1.26 -4.82 120.51 120.57 1u96 n ALA 14 Ca 0.18 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.75 1u96 n ALA 14 Cb 0.38 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.76 1u96 n ALA 14 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1u96 n GLU 15 N 0.00 -2.85 -3.64 0.00 4.07 -1.26 -4.95 120.64 112.00 1u96 n GLU 15 Ca 0.00 2.32 -0.26 0.00 -0.06 0.00 0.00 57.16 59.17 1u96 n GLU 15 Cb 0.00 -3.25 -0.17 0.00 -0.06 0.00 0.00 31.44 27.96 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.06 0.00 0.00 177.13 177.07 1u96 n GLU 17 N 5.24 0.50 -3.97 0.00 1.02 -1.26 -5.09 120.64 117.08 1u96 n GLU 17 Ca -0.07 -2.75 -0.11 0.00 -0.02 0.00 0.00 57.16 54.20 1u96 n GLU 17 Cb 0.49 1.84 -0.13 0.00 -0.02 0.00 0.00 31.44 33.62 1u96 n GLU 17 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1u96 s ASP 18 N -2.97 0.26 -0.25 1.62 2.15 -1.26 -3.65 116.67 112.58 1u96 s ASP 18 Ca 0.24 -0.28 -0.01 0.00 0.43 0.00 0.00 52.55 52.93 1u96 s ASP 18 Cb 0.01 0.04 0.00 0.00 -0.30 0.00 0.00 42.92 42.67 1u96 s ASP 18 CO 0.17 -0.14 0.03 0.29 -0.17 0.00 0.00 175.17 175.35 1u96 n LYS 19 N 2.28 -2.75 -0.03 4.34 4.76 -1.26 -4.90 118.16 120.59 1u96 n LYS 19 Ca -0.18 2.32 -0.17 0.00 -2.87 0.00 0.00 58.31 57.41 1u96 n LYS 19 Cb 0.57 -4.40 -0.06 0.00 -1.84 0.00 0.00 35.03 29.31 1u96 n LYS 19 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 1u96 h PRO 20 N 3.14 0.81 0.00 1.97 0.13 -1.92 -3.48 132.00 132.66 1u96 h PRO 20 Ca -0.01 -0.62 0.00 0.00 -0.87 0.00 0.00 66.00 64.50 1u96 h PRO 20 Cb 0.27 0.12 0.00 0.00 0.13 0.00 0.00 31.00 31.52 1u96 h PRO 20 CO 0.08 1.23 0.00 1.17 -0.23 0.00 0.00 178.00 180.26 1u96 n LYS 21 N -3.95 0.00 0.00 0.86 3.00 -1.26 -5.13 118.16 111.68 1u96 n LYS 21 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.24 1u96 n LYS 21 Cb 0.72 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.75 1u96 n LYS 21 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.40 177.05 1u96 n PRO 22 N 0.00 0.00 -1.97 1.64 -0.04 -1.26 -4.79 135.00 128.57 1u96 n PRO 22 Ca 0.00 0.00 -0.15 0.00 -0.04 0.00 0.00 63.50 63.31 1u96 n PRO 22 Cb 0.00 0.00 -0.03 0.00 -0.04 0.00 0.00 33.50 33.43 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u96 h VAL 25 N 0.00 0.97 -4.05 0.00 2.07 -1.95 -3.43 116.25 109.87 1u96 h VAL 25 Ca -0.19 -0.06 -0.55 0.00 0.82 0.00 0.00 66.70 66.72 1u96 h VAL 25 Cb 1.39 0.77 0.14 0.00 -1.52 0.00 0.00 31.29 32.07 1u96 h VAL 25 CO 0.01 0.03 0.60 0.00 0.02 0.00 0.00 177.57 178.23 1u96 n LYS 27 N -1.09 0.00 0.26 0.00 4.81 -1.26 -4.93 118.16 115.95 1u96 n LYS 27 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.39 1u96 n LYS 27 Cb 0.45 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.42 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.35 1.17 0.00 0.00 177.40 177.22 1u96 h PRO 28 N 0.00 -0.58 0.00 1.64 0.11 -2.00 -1.96 132.00 129.21 1u96 h PRO 28 Ca 0.00 0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.14 1u96 h PRO 28 Cb 0.00 0.13 -0.00 0.00 0.11 0.00 0.00 31.00 31.24 1u96 h PRO 28 CO 0.00 -0.39 -0.04 1.49 -0.21 0.00 0.00 178.00 178.85 1u96 h GLU 29 N -0.61 0.00 -0.43 1.05 4.57 -1.99 -1.68 114.58 115.49 1u96 h GLU 29 Ca -0.06 0.00 -0.07 0.00 -1.18 0.00 0.00 59.36 58.05 1u96 h GLU 29 Cb 0.46 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 1u96 h GLU 29 CO 0.10 0.04 0.02 -0.22 -1.18 0.00 0.00 179.01 177.77 1u96 h LYS 30 N 0.00 0.76 -0.52 1.92 3.64 -1.83 -1.29 116.57 119.24 1u96 h LYS 30 Ca -0.00 -0.23 -0.12 0.00 -1.27 0.00 0.00 60.65 59.02 1u96 h LYS 30 Cb 0.07 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.80 1u96 h LYS 30 CO 0.01 0.82 -0.16 0.93 -2.27 0.00 0.00 179.45 178.78 1u96 h GLU 31 N 0.60 1.02 0.43 1.90 4.39 -0.62 -1.94 114.58 120.37 1u96 h GLU 31 Ca 0.13 -0.40 -0.02 0.00 0.34 0.00 0.00 59.36 59.40 1u96 h GLU 31 Cb 0.46 -0.05 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1u96 h GLU 31 CO 0.02 1.09 -0.21 0.93 -1.16 0.00 0.00 179.01 179.68 1u96 h GLU 32 N 0.90 -0.56 -0.30 2.33 5.08 -1.20 -1.75 114.58 119.08 1u96 h GLU 32 Ca 0.13 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1u96 h GLU 32 Cb 0.73 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.06 1u96 h GLU 32 CO 0.06 -0.33 0.02 -0.09 -1.00 0.00 0.00 179.01 177.66 1u96 h ARG 33 N -0.67 0.10 -0.55 2.33 2.43 -1.25 -1.58 114.38 115.19 1u96 h ARG 33 Ca -0.06 -0.01 0.10 0.00 -0.81 0.00 0.00 59.98 59.20 1u96 h ARG 33 Cb 0.49 -0.02 -0.08 0.00 -0.42 0.00 0.00 29.97 29.94 1u96 h ARG 33 CO 0.10 0.07 0.11 0.22 -1.51 0.00 0.00 179.97 178.96 1u96 h ASP 34 N 0.11 -0.00 -0.92 -3.80 1.82 -1.28 0.17 116.42 112.51 1u96 h ASP 34 Ca 0.14 0.10 0.04 0.00 -0.39 0.00 0.00 57.03 56.92 1u96 h ASP 34 Cb 0.18 0.14 -0.06 0.00 0.68 0.00 0.00 39.33 40.28 1u96 h ASP 34 CO -0.23 0.02 0.60 0.74 -1.61 0.00 0.00 179.24 178.76 1u96 h THR 35 N 0.25 1.14 0.00 2.25 2.02 -0.69 -0.52 112.91 117.36 1u96 h THR 35 Ca 0.28 -0.39 -0.08 0.00 0.77 0.00 0.00 66.41 67.00 1u96 h THR 35 Cb 0.40 -0.11 -0.01 0.00 -1.74 0.00 0.00 68.15 66.70 1u96 h THR 35 CO -0.37 0.21 -0.36 0.00 0.37 0.00 0.00 175.52 175.37 1u96 h ILE 37 N 0.00 1.30 0.00 0.00 1.08 0.82 0.89 117.51 121.60 1u96 h ILE 37 Ca -0.00 -1.18 -0.14 0.00 -0.39 0.00 0.00 64.86 63.15 1u96 h ILE 37 Cb 0.67 1.54 -0.02 0.00 -3.07 0.00 0.00 36.82 35.95 1u96 h ILE 37 CO 0.05 0.37 -0.68 -0.07 -0.69 0.00 0.00 178.15 177.12 1u96 h LEU 38 N 0.24 0.00 0.00 1.44 3.38 -1.22 0.31 115.31 119.46 1u96 h LEU 38 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 1u96 h LEU 38 Cb 0.61 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.35 1u96 h LEU 38 CO 0.03 0.68 -0.69 -0.26 0.09 0.00 0.00 178.44 178.29 1u96 h PHE 39 N 0.00 0.00 0.00 1.13 -1.00 -1.15 -3.43 116.94 112.49 1u96 h PHE 39 Ca -0.01 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u96 h PHE 39 Cb 1.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.91 1u96 h PHE 39 CO 0.00 0.08 0.00 0.09 -1.61 0.00 0.00 178.31 176.87 1u96 n ASN 40 N -2.86 0.55 -3.77 2.17 3.02 0.30 -5.06 115.26 109.61 1u96 n ASN 40 Ca 0.01 0.09 0.04 0.00 -0.03 0.00 0.00 54.58 54.68 1u96 n ASN 40 Cb 0.58 -0.15 0.01 0.00 -0.61 0.00 0.00 39.78 39.60 1u96 n ASN 40 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1u96 s GLY 41 N -3.60 -0.32 0.59 7.41 0.00 0.09 -4.95 107.32 106.55 1u96 s GLY 41 Ca 0.00 0.48 0.32 0.00 0.00 0.00 0.00 44.72 45.51 1u96 s GLY 41 CO 0.00 3.51 1.95 -1.61 0.00 0.00 0.00 173.10 176.95 1u96 h GLN 42 N 2.00 0.00 0.00 2.90 5.75 -1.92 -3.37 115.11 120.47 1u96 h GLN 42 Ca -0.26 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.24 1u96 h GLN 42 Cb 1.18 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.73 1u96 h GLN 42 CO 0.30 0.00 0.00 -0.40 -2.65 0.00 0.00 178.83 176.08 1u96 n ASP 43 N -2.78 0.00 0.00 -0.69 5.75 -1.26 -4.98 116.55 112.59 1u96 n ASP 43 Ca -0.02 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.76 1u96 n ASP 43 Cb 0.24 0.19 0.00 0.00 -1.03 0.00 0.00 41.12 40.53 1u96 n ASP 43 CO 0.00 0.00 0.00 -1.54 -0.11 0.00 0.00 177.20 175.55 1u96 n SER 44 N -1.84 -1.20 0.00 -1.12 3.41 -1.26 -3.81 113.62 107.81 1u96 n SER 44 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1u96 n SER 44 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1u96 n GLU 45 N 0.00 0.82 -0.06 4.33 1.02 -1.26 -4.55 120.64 120.95 1u96 n GLU 45 Ca 0.00 -0.35 0.09 0.00 -0.02 0.00 0.00 57.16 56.88 1u96 n GLU 45 Cb 0.00 -0.84 0.11 0.00 -0.02 0.00 0.00 31.44 30.69 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 -0.22 1.85 -0.00 3.49 4.01 -1.26 -4.30 118.16 121.72 1u96 n LYS 46 Ca 0.00 -1.78 0.03 0.00 -0.51 0.00 0.00 58.31 56.05 1u96 n LYS 46 Cb 0.01 -1.38 -0.04 0.00 -0.51 0.00 0.00 35.03 33.11 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1u96 h LYS 48 N 0.00 0.00 -0.24 0.00 1.57 -1.75 -2.51 116.57 113.64 1u96 h LYS 48 Ca 0.00 0.00 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 1u96 h LYS 48 Cb 0.24 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.54 1u96 h LYS 48 CO 0.00 0.03 0.10 0.93 -0.57 0.00 0.00 179.45 179.94 1u96 h GLU 49 N 0.00 0.36 -0.16 3.15 3.07 -1.84 -1.93 114.58 117.24 1u96 h GLU 49 Ca -0.00 -0.07 -0.08 0.00 -0.50 0.00 0.00 59.36 58.71 1u96 h GLU 49 Cb 0.12 -0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.96 1u96 h GLU 49 CO 0.00 0.41 -0.26 0.74 -1.40 0.00 0.00 179.01 178.50 1u96 h PHE 50 N 0.24 0.33 0.58 4.33 0.04 -1.76 -1.45 116.94 119.25 1u96 h PHE 50 Ca 0.08 -0.06 -0.03 0.00 2.80 0.00 0.00 57.97 60.76 1u96 h PHE 50 Cb 0.18 -0.08 0.01 0.00 2.20 0.00 0.00 35.95 38.25 1u96 h PHE 50 CO -0.01 0.54 -0.28 0.82 -0.60 0.00 0.00 178.31 178.78 1u96 h ILE 51 N 0.27 0.00 -0.94 -0.55 2.04 -1.40 -0.85 117.51 116.07 1u96 h ILE 51 Ca 0.04 -0.26 0.04 0.00 1.00 0.00 0.00 64.86 65.68 1u96 h ILE 51 Cb 0.61 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.63 1u96 h ILE 51 CO 0.04 0.00 0.61 -0.33 0.00 0.00 0.00 178.15 178.47 1u96 h GLU 52 N -1.04 1.12 -0.81 2.37 5.08 -1.40 -1.67 114.58 118.22 1u96 h GLU 52 Ca -0.08 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1u96 h GLU 52 Cb 0.60 -0.25 -0.04 0.00 0.50 0.00 0.00 28.75 29.56 1u96 h GLU 52 CO 0.13 0.74 0.40 -0.22 -1.00 0.00 0.00 179.01 179.06 1u96 h LYS 53 N 1.15 1.17 0.92 2.33 3.11 -1.31 -1.95 116.57 121.99 1u96 h LYS 53 Ca 0.38 -0.17 -0.04 0.00 -2.81 0.00 0.00 60.65 58.01 1u96 h LYS 53 Cb 0.06 -0.21 0.01 0.00 -1.00 0.00 0.00 32.23 31.08 1u96 h LYS 53 CO -0.14 0.90 -0.45 -0.92 -2.81 0.00 0.00 179.45 176.03 1u96 h TYR 54 N 1.15 -1.18 -0.04 1.91 3.20 -0.25 -0.34 116.97 121.42 1u96 h TYR 54 Ca 0.28 -0.03 0.03 0.00 3.14 0.00 0.00 58.73 62.16 1u96 h TYR 54 Cb 0.11 0.39 -0.06 0.00 1.54 0.00 0.00 36.73 38.71 1u96 h TYR 54 CO 0.01 -0.72 -0.44 0.87 -1.64 0.00 0.00 178.16 176.24 1u96 h LYS 55 N -1.25 -0.55 -0.62 1.82 1.57 -1.34 0.21 116.57 116.41 1u96 h LYS 55 Ca -0.13 0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.76 1u96 h LYS 55 Cb 0.96 0.12 -0.04 0.00 0.08 0.00 0.00 32.23 33.36 1u96 h LYS 55 CO 0.20 -0.36 0.41 1.49 -0.57 0.00 0.00 179.45 180.62 1u96 h GLU 56 N -0.57 0.53 0.00 3.15 4.81 -1.38 1.00 114.58 122.12 1u96 h GLU 56 Ca 0.05 -0.03 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1u96 h GLU 56 Cb 0.66 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.92 1u96 h GLU 56 CO -0.35 0.35 -0.36 0.00 -0.73 0.00 0.00 179.01 177.92 1u96 n MET 58 N -2.17 1.55 -0.00 0.00 2.81 0.64 -4.38 117.12 115.57 1u96 n MET 58 Ca 0.04 -0.02 0.10 0.00 -1.81 0.00 0.00 57.70 56.01 1u96 n MET 58 Cb 0.43 -1.27 -0.14 0.00 -0.71 0.00 0.00 33.22 31.53 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 -1.48 0.41 0.14 0.03 2.85 0.22 -0.22 118.16 120.12 1u96 n LYS 59 Ca 0.02 -0.09 -0.11 0.00 -1.05 0.00 0.00 58.31 57.08 1u96 n LYS 59 Cb 0.27 -1.49 -0.06 0.00 -0.65 0.00 0.00 35.03 33.11 1u96 n LYS 59 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 177.40 178.13 1u96 h GLY 60 N 4.40 -1.10 -0.38 2.58 0.00 -1.75 -3.40 103.07 103.42 1u96 h GLY 60 Ca 0.00 0.53 0.00 0.00 0.00 0.00 0.00 47.33 47.86 1u96 h GLY 60 CO 0.00 -0.34 -0.16 -1.72 0.00 0.00 0.00 176.54 174.33 1u96 n TYR 61 N -4.29 0.00 0.00 5.60 4.01 -1.26 -5.07 117.16 116.14 1u96 n TYR 61 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1u96 n TYR 61 Cb 0.28 0.02 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1u96 n GLY 62 N 0.00 0.87 2.95 2.72 0.00 -1.21 -5.14 105.19 105.38 1u96 n GLY 62 Ca 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.89 1u96 n GLY 62 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1u96 s PHE 63 N 3.51 -0.14 0.03 1.61 0.08 0.70 -4.87 117.98 118.90 1u96 s PHE 63 Ca 0.00 0.39 -0.12 0.00 0.12 0.00 0.00 56.93 57.32 1u96 s PHE 63 Cb 0.00 -0.03 0.04 0.00 -0.57 0.00 0.00 43.02 42.46 1u96 s PHE 63 CO 0.00 -0.12 0.57 -1.91 -0.10 0.00 0.00 175.22 173.66 1u96 n GLU 64 N 3.66 0.18 -0.63 0.44 0.00 -1.24 -4.53 120.64 118.51 1u96 n GLU 64 Ca -0.20 -0.50 -0.31 0.00 0.00 0.00 0.00 57.16 56.15 1u96 n GLU 64 Cb 0.55 0.75 0.19 0.00 0.00 0.00 0.00 31.44 32.93 1u96 n GLU 64 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.13 178.46 1u96 n VAL 65 N -0.40 0.00 0.17 6.31 0.24 -1.26 -4.54 118.33 118.85 1u96 n VAL 65 Ca 0.01 -0.15 0.10 0.00 -2.04 0.00 0.00 64.34 62.26 1u96 n VAL 65 Cb 0.28 -0.94 0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1u96 n VAL 65 CO 0.00 0.00 0.00 1.55 -2.14 0.00 0.00 176.83 176.24 1u96 h PRO 66 N -2.09 0.00 -7.30 7.34 0.14 -1.91 -3.47 132.00 124.71 1u96 h PRO 66 Ca -0.49 0.00 -0.52 0.00 0.14 0.00 0.00 66.00 65.14 1u96 h PRO 66 Cb 1.29 0.00 0.14 0.00 0.14 0.00 0.00 31.00 32.57 1u96 h PRO 66 CO 0.42 0.07 0.31 0.45 0.14 0.00 0.00 178.00 179.39 1u96 s SER 67 N -6.00 4.35 -0.30 1.44 0.15 -1.24 -4.90 113.70 107.19 1u96 s SER 67 Ca 0.04 1.89 -0.03 0.00 0.70 0.00 0.00 55.95 58.56 1u96 s SER 67 Cb 0.07 -2.53 0.19 0.00 -1.71 0.00 0.00 66.02 62.03 1u96 s SER 67 CO 0.71 -2.14 0.66 0.00 1.20 0.00 0.00 173.24 173.67 1u96 s ALA 68 N -2.81 -2.43 0.00 5.45 0.00 -1.26 -5.09 121.76 115.62 1u96 s ALA 68 Ca 0.62 1.78 0.00 0.00 0.00 0.00 0.00 51.96 54.37 1u96 s ALA 68 Cb -0.18 -2.22 0.00 0.00 0.00 0.00 0.00 23.12 20.72 1u96 s ALA 68 CO 0.55 -1.35 0.32 -1.71 0.00 0.00 0.00 175.76 173.56