#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 3.64 0.00 2.03 -4.23 -1.26 -5.02 115.64 110.81 1u96 s THR 2 Ca 0.00 1.27 0.00 0.00 -1.18 0.00 0.00 61.69 61.78 1u96 s THR 2 Cb 0.00 -3.66 0.00 0.00 1.34 0.00 0.00 72.50 70.18 1u96 s THR 2 CO 0.00 0.02 0.00 -0.62 -0.54 0.00 0.00 174.62 173.48 1u96 n GLU 3 N -0.07 0.00 0.07 3.99 1.02 -1.26 -5.02 120.64 119.38 1u96 n GLU 3 Ca 0.05 0.29 0.00 0.00 -0.02 0.00 0.00 57.16 57.48 1u96 n GLU 3 Cb 0.49 -0.76 0.00 0.00 -0.02 0.00 0.00 31.44 31.15 1u96 n GLU 3 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1u96 n THR 4 N -1.90 0.13 -1.60 2.62 -2.24 -1.26 -5.01 114.28 105.02 1u96 n THR 4 Ca 0.00 0.04 -0.16 0.00 -2.27 0.00 0.00 64.05 61.66 1u96 n THR 4 Cb 0.00 -0.48 -0.06 0.00 -2.10 0.00 0.00 70.33 67.69 1u96 n THR 4 CO 0.00 0.00 0.00 0.47 -0.57 0.00 0.00 175.07 174.97 1u96 n ASP 5 N -3.04 -4.34 -4.75 3.42 9.92 -1.26 -4.91 116.55 111.58 1u96 n ASP 5 Ca 0.00 0.36 -0.36 0.00 -0.53 0.00 0.00 54.79 54.26 1u96 n ASP 5 Cb 0.00 -3.91 0.04 0.00 -0.64 0.00 0.00 41.12 36.62 1u96 n ASP 5 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1u96 s LYS 6 N -3.60 2.85 0.17 -1.24 2.20 -1.26 -4.95 119.74 113.91 1u96 s LYS 6 Ca 0.00 1.93 -0.30 0.00 -0.36 0.00 0.00 55.97 57.24 1u96 s LYS 6 Cb 0.00 -1.92 -0.08 0.00 -1.51 0.00 0.00 37.83 34.32 1u96 s LYS 6 CO 0.00 -1.33 1.19 -1.59 -0.36 0.00 0.00 175.35 173.27 1u96 s LYS 7 N -3.31 4.49 0.46 4.03 0.00 -1.26 -5.04 119.74 119.11 1u96 s LYS 7 Ca 0.79 1.85 0.04 0.00 0.00 0.00 0.00 55.97 58.65 1u96 s LYS 7 Cb -0.33 -3.25 -0.05 0.00 0.00 0.00 0.00 37.83 34.20 1u96 s LYS 7 CO 0.36 -0.09 0.02 1.14 0.00 0.00 0.00 175.35 176.78 1u96 s GLN 8 N -0.11 2.08 1.20 1.78 -2.07 -1.26 -5.15 119.66 116.14 1u96 s GLN 8 Ca 0.53 -2.23 -0.19 0.00 -1.82 0.00 0.00 55.36 51.65 1u96 s GLN 8 Cb -0.32 -1.61 0.29 0.00 -1.09 0.00 0.00 33.01 30.27 1u96 s GLN 8 CO 0.36 -0.20 1.11 -1.21 -1.32 0.00 0.00 175.29 174.02 1u96 s GLU 9 N -3.80 -1.23 0.61 9.60 0.41 -1.26 -4.99 118.70 118.04 1u96 s GLU 9 Ca 0.22 -0.06 -0.18 0.00 -0.41 0.00 0.00 54.97 54.55 1u96 s GLU 9 Cb 0.06 -1.59 -0.03 0.00 -1.78 0.00 0.00 34.13 30.79 1u96 s GLU 9 CO 0.11 -3.72 1.16 -0.65 -0.49 0.00 0.00 175.26 171.68 1u96 s GLN 10 N -5.39 2.95 0.40 1.61 -0.21 -1.26 -5.05 119.66 112.71 1u96 s GLN 10 Ca 0.71 1.66 0.08 0.00 0.02 0.00 0.00 55.36 57.82 1u96 s GLN 10 Cb -0.10 -1.95 -0.01 0.00 1.00 0.00 0.00 33.01 31.96 1u96 s GLN 10 CO 0.56 -1.18 0.46 -1.83 -2.12 0.00 0.00 175.29 171.18 1u96 s GLU 11 N -3.55 2.75 2.52 2.91 1.03 -1.26 -5.01 118.70 118.10 1u96 s GLU 11 Ca 0.73 -1.32 0.00 0.00 0.03 0.00 0.00 54.97 54.42 1u96 s GLU 11 Cb -0.26 -2.60 0.00 0.00 -0.80 0.00 0.00 34.13 30.46 1u96 s GLU 11 CO 0.34 -0.16 0.00 0.09 -1.33 0.00 0.00 175.26 174.20 1u96 n ASN 12 N -1.67 -2.99 -4.63 0.83 4.13 -1.26 -4.73 115.26 104.94 1u96 n ASN 12 Ca 0.04 0.00 -0.33 0.00 1.68 0.00 0.00 54.58 55.97 1u96 n ASN 12 Cb 0.60 0.00 0.13 0.00 -1.54 0.00 0.00 39.78 38.97 1u96 n ASN 12 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1u96 n HIS 13 N -0.23 0.61 -1.15 3.10 1.44 -1.26 -4.95 115.22 112.77 1u96 n HIS 13 Ca 0.00 0.38 0.00 0.00 -2.01 0.00 0.00 57.72 56.09 1u96 n HIS 13 Cb 0.00 -2.02 0.00 0.00 0.12 0.00 0.00 29.99 28.09 1u96 n HIS 13 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1u96 n ALA 14 N -3.44 0.57 -1.43 1.59 0.00 -1.26 -5.09 120.51 111.44 1u96 n ALA 14 Ca 0.12 -0.24 0.19 0.00 0.00 0.00 0.00 53.44 53.51 1u96 n ALA 14 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.91 1u96 n ALA 14 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1u96 n GLU 15 N 0.00 -2.92 -1.68 0.00 -0.58 -1.26 -4.53 120.64 109.66 1u96 n GLU 15 Ca 0.00 1.96 -0.43 0.00 -0.42 0.00 0.00 57.16 58.27 1u96 n GLU 15 Cb 0.39 -3.55 -0.03 0.00 -0.57 0.00 0.00 31.44 27.68 1u96 n GLU 15 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1u96 n GLU 17 N 8.72 1.11 -1.33 0.00 2.13 -1.26 -5.13 120.64 124.88 1u96 n GLU 17 Ca 0.29 -1.51 0.07 0.00 0.66 0.00 0.00 57.16 56.66 1u96 n GLU 17 Cb 0.46 -0.93 -0.04 0.00 0.27 0.00 0.00 31.44 31.20 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.25 -0.41 0.00 0.00 177.13 176.47 1u96 n ASP 18 N -0.57 -7.18 -2.74 4.31 8.00 -1.26 -4.99 116.55 112.13 1u96 n ASP 18 Ca 0.05 1.49 -0.02 0.00 0.71 0.00 0.00 54.79 57.02 1u96 n ASP 18 Cb 0.54 -4.34 -0.02 0.00 -0.02 0.00 0.00 41.12 37.28 1u96 n ASP 18 CO 0.00 0.00 0.00 1.17 -0.39 0.00 0.00 177.20 177.98 1u96 n LYS 19 N -3.15 -3.52 0.00 -1.24 4.81 -1.26 -4.89 118.16 108.91 1u96 n LYS 19 Ca -0.04 2.79 0.00 0.00 -0.87 0.00 0.00 58.31 60.19 1u96 n LYS 19 Cb 0.50 -4.72 0.00 0.00 0.02 0.00 0.00 35.03 30.84 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1u96 n PRO 20 N 1.18 0.00 -2.62 1.64 -0.04 -1.26 -4.92 135.00 128.98 1u96 n PRO 20 Ca -0.14 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.28 1u96 n PRO 20 Cb 0.26 -0.56 0.01 0.00 -0.04 0.00 0.00 33.50 33.17 1u96 n PRO 20 CO 0.00 0.00 0.00 0.36 -0.04 0.00 0.00 175.50 175.82 1u96 n LYS 21 N -0.48 0.39 0.00 0.54 2.85 -1.26 -5.08 118.16 115.12 1u96 n LYS 21 Ca 0.00 -0.90 0.00 0.00 -1.05 0.00 0.00 58.31 56.36 1u96 n LYS 21 Cb 0.00 -0.00 0.00 0.00 -0.65 0.00 0.00 35.03 34.38 1u96 n LYS 21 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1u96 n PRO 22 N -0.53 0.00 -1.38 -1.58 -0.04 -1.26 -4.93 135.00 125.27 1u96 n PRO 22 Ca -0.22 0.10 -0.14 0.00 -0.04 0.00 0.00 63.50 63.20 1u96 n PRO 22 Cb 0.68 -0.44 -0.06 0.00 -0.04 0.00 0.00 33.50 33.65 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1u96 n VAL 25 N -0.19 0.65 -4.27 0.00 0.24 -1.26 -4.99 118.33 108.50 1u96 n VAL 25 Ca 0.04 -0.82 -0.17 0.00 -2.04 0.00 0.00 64.34 61.35 1u96 n VAL 25 Cb 0.21 0.72 -0.15 0.00 -1.47 0.00 0.00 33.84 33.16 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1u96 n LYS 27 N 2.88 0.00 0.04 0.00 4.81 -1.26 -4.94 118.16 119.69 1u96 n LYS 27 Ca -0.13 0.00 -0.11 0.00 -0.87 0.00 0.00 58.31 57.19 1u96 n LYS 27 Cb 0.57 0.00 -0.08 0.00 0.02 0.00 0.00 35.03 35.54 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 -0.17 -0.35 1.64 0.13 -2.00 -2.59 132.00 128.67 1u96 h PRO 28 Ca 0.00 0.01 0.02 0.00 -0.87 0.00 0.00 66.00 65.16 1u96 h PRO 28 Cb 0.00 0.04 -0.02 0.00 0.13 0.00 0.00 31.00 31.15 1u96 h PRO 28 CO 0.00 0.30 0.24 1.49 -0.23 0.00 0.00 178.00 179.80 1u96 h GLU 29 N -0.80 0.40 -0.43 0.86 4.81 -1.97 -1.71 114.58 115.75 1u96 h GLU 29 Ca -0.02 -0.02 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 1u96 h GLU 29 Cb 0.55 -0.09 -0.01 0.00 0.63 0.00 0.00 28.75 29.82 1u96 h GLU 29 CO 0.03 0.27 -0.20 -0.22 -0.73 0.00 0.00 179.01 178.16 1u96 h LYS 30 N 0.42 0.89 -0.47 1.92 3.64 -1.92 -1.85 116.57 119.19 1u96 h LYS 30 Ca 0.14 -0.38 -0.05 0.00 -1.27 0.00 0.00 60.65 59.09 1u96 h LYS 30 Cb 0.04 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 31.82 1u96 h LYS 30 CO -0.03 1.03 0.11 1.49 -2.27 0.00 0.00 179.45 179.78 1u96 h GLU 31 N 0.71 0.75 -0.42 1.90 4.81 -0.92 -1.48 114.58 119.93 1u96 h GLU 31 Ca 0.10 -0.19 -0.03 0.00 -0.13 0.00 0.00 59.36 59.11 1u96 h GLU 31 Cb 0.76 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 30.03 1u96 h GLU 31 CO 0.06 0.75 0.15 0.93 -0.73 0.00 0.00 179.01 180.16 1u96 h GLU 32 N 0.63 0.64 0.52 1.92 4.39 -1.30 -1.20 114.58 120.19 1u96 h GLU 32 Ca 0.15 -0.13 -0.03 0.00 0.34 0.00 0.00 59.36 59.69 1u96 h GLU 32 Cb 0.34 -0.10 0.01 0.00 -0.10 0.00 0.00 28.75 28.90 1u96 h GLU 32 CO 0.00 0.62 -0.25 -0.09 -1.16 0.00 0.00 179.01 178.13 1u96 h ARG 33 N 0.54 -0.68 -0.05 2.33 2.43 -1.23 -1.71 114.38 116.01 1u96 h ARG 33 Ca 0.14 0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.38 1u96 h ARG 33 Cb 0.23 0.15 -0.03 0.00 -0.42 0.00 0.00 29.97 29.91 1u96 h ARG 33 CO -0.01 -0.41 -0.11 0.22 -1.51 0.00 0.00 179.97 178.15 1u96 h ASP 34 N -0.80 -0.32 -0.67 -3.80 1.82 -1.28 -1.90 116.42 109.47 1u96 h ASP 34 Ca -0.07 0.06 0.10 0.00 -0.39 0.00 0.00 57.03 56.72 1u96 h ASP 34 Cb 0.58 0.15 -0.07 0.00 0.68 0.00 0.00 39.33 40.66 1u96 h ASP 34 CO 0.12 -0.15 0.29 0.74 -1.61 0.00 0.00 179.24 178.62 1u96 h THR 35 N -0.16 0.78 -0.07 2.25 2.02 -1.22 0.20 112.91 116.71 1u96 h THR 35 Ca 0.06 -0.17 0.01 0.00 0.77 0.00 0.00 66.41 67.08 1u96 h THR 35 Cb 0.24 0.25 -0.01 0.00 -1.74 0.00 0.00 68.15 66.89 1u96 h THR 35 CO -0.14 0.09 0.00 0.00 0.37 0.00 0.00 175.52 175.84 1u96 h ILE 37 N 0.03 0.00 0.00 0.00 2.04 -0.70 -0.26 117.51 118.62 1u96 h ILE 37 Ca 0.03 -0.36 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 1u96 h ILE 37 Cb 0.04 1.22 0.00 0.00 -0.74 0.00 0.00 36.82 37.34 1u96 h ILE 37 CO -0.05 0.00 -0.11 0.25 0.00 0.00 0.00 178.15 178.24 1u96 h LEU 38 N 0.00 0.09 0.00 1.44 7.12 0.39 -0.66 115.31 123.69 1u96 h LEU 38 Ca 0.00 -0.81 -0.03 0.00 0.13 0.00 0.00 57.88 57.17 1u96 h LEU 38 Cb 0.45 -0.03 -0.01 0.00 -0.53 0.00 0.00 40.66 40.54 1u96 h LEU 38 CO 0.00 0.89 -0.67 -0.26 -0.13 0.00 0.00 178.44 178.27 1u96 h PHE 39 N -0.70 0.00 0.00 1.25 0.04 -1.30 -3.41 116.94 112.83 1u96 h PHE 39 Ca -0.01 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.76 1u96 h PHE 39 Cb 0.91 0.00 0.00 0.00 2.20 0.00 0.00 35.95 39.06 1u96 h PHE 39 CO 0.20 0.12 -0.43 0.09 -0.60 0.00 0.00 178.31 177.70 1u96 n ASN 40 N -2.90 1.00 0.00 2.17 3.02 -0.11 -5.11 115.26 113.32 1u96 n ASN 40 Ca 0.00 0.16 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1u96 n ASN 40 Cb 0.60 -0.53 0.00 0.00 -0.61 0.00 0.00 39.78 39.24 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 1.99 1.80 0.09 7.41 0.00 -0.25 -4.77 105.19 111.45 1u96 n GLY 41 Ca -0.06 -2.18 0.11 0.00 0.00 0.00 0.00 46.02 43.90 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 -1.15 0.16 -3.62 1.61 7.27 -1.26 -4.43 117.38 115.96 1u96 n GLN 42 Ca 0.00 0.30 -0.28 0.00 0.07 0.00 0.00 57.00 57.08 1u96 n GLN 42 Cb 0.00 -1.75 -0.16 0.00 2.41 0.00 0.00 30.24 30.74 1u96 n GLN 42 CO 0.00 0.00 0.00 0.16 0.07 0.00 0.00 177.06 177.29 1u96 s ASP 43 N -3.96 3.30 0.14 1.69 -4.77 -1.26 -4.63 116.67 107.18 1u96 s ASP 43 Ca 0.07 -1.15 0.00 0.00 -3.30 0.00 0.00 52.55 48.17 1u96 s ASP 43 Cb 0.11 -0.46 0.00 0.00 -1.09 0.00 0.00 42.92 41.48 1u96 s ASP 43 CO 0.43 -0.40 0.00 -0.24 0.70 0.00 0.00 175.17 175.67 1u96 n SER 44 N 5.15 -1.22 -0.30 2.11 2.88 -1.26 -4.96 113.62 116.01 1u96 n SER 44 Ca -0.06 0.36 0.01 0.00 -1.33 0.00 0.00 58.87 57.86 1u96 n SER 44 Cb 0.44 1.38 0.01 0.00 -0.75 0.00 0.00 64.21 65.29 1u96 n SER 44 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1u96 n GLU 45 N -2.76 0.26 -2.66 -1.46 1.02 -1.26 -5.07 120.64 108.70 1u96 n GLU 45 Ca 0.00 -1.05 -0.00 0.00 -0.02 0.00 0.00 57.16 56.09 1u96 n GLU 45 Cb 0.00 -0.62 -0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 -0.16 -3.38 -0.04 3.49 4.01 -1.26 -4.85 118.16 115.96 1u96 n LYS 46 Ca 0.02 2.71 0.01 0.00 -0.51 0.00 0.00 58.31 60.54 1u96 n LYS 46 Cb 0.62 -5.22 0.03 0.00 -0.51 0.00 0.00 35.03 29.95 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 0.35 0.00 -0.64 0.00 3.64 -1.93 -1.70 116.57 116.29 1u96 h LYS 48 Ca 0.00 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.39 1u96 h LYS 48 Cb 0.23 0.00 -0.03 0.00 -0.41 0.00 0.00 32.23 32.02 1u96 h LYS 48 CO 0.01 0.00 0.42 0.93 -2.27 0.00 0.00 179.45 178.54 1u96 h GLU 49 N 0.00 0.84 -0.21 1.90 4.39 -1.95 -0.77 114.58 118.79 1u96 h GLU 49 Ca 0.03 -0.05 -0.07 0.00 0.34 0.00 0.00 59.36 59.60 1u96 h GLU 49 Cb 0.20 -0.19 -0.01 0.00 -0.10 0.00 0.00 28.75 28.64 1u96 h GLU 49 CO -0.00 0.56 -0.20 0.74 -1.16 0.00 0.00 179.01 178.96 1u96 h PHE 50 N 0.86 0.39 0.44 4.33 0.04 -1.64 -1.14 116.94 120.22 1u96 h PHE 50 Ca 0.23 -0.07 -0.02 0.00 2.80 0.00 0.00 57.97 60.92 1u96 h PHE 50 Cb -0.09 -0.10 0.00 0.00 2.20 0.00 0.00 35.95 37.96 1u96 h PHE 50 CO -0.03 0.54 -0.21 0.82 -0.60 0.00 0.00 178.31 178.84 1u96 h ILE 51 N 0.33 0.19 -0.56 -0.55 2.04 -1.39 -1.56 117.51 116.01 1u96 h ILE 51 Ca 0.06 -0.60 0.06 0.00 1.00 0.00 0.00 64.86 65.38 1u96 h ILE 51 Cb 0.54 0.30 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 1u96 h ILE 51 CO 0.04 0.04 0.37 -0.33 0.00 0.00 0.00 178.15 178.27 1u96 h GLU 52 N -1.09 0.51 -0.06 2.37 4.39 -1.19 -1.51 114.58 118.01 1u96 h GLU 52 Ca -0.06 -0.03 -0.01 0.00 0.34 0.00 0.00 59.36 59.60 1u96 h GLU 52 Cb 0.52 -0.12 -0.00 0.00 -0.10 0.00 0.00 28.75 29.05 1u96 h GLU 52 CO 0.10 0.34 -0.00 -0.22 -1.16 0.00 0.00 179.01 178.06 1u96 h LYS 53 N 0.53 0.10 0.65 2.33 1.63 -1.23 -1.81 116.57 118.77 1u96 h LYS 53 Ca 0.24 -0.03 -0.02 0.00 -0.85 0.00 0.00 60.65 59.98 1u96 h LYS 53 Cb 0.29 -0.01 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 1u96 h LYS 53 CO -0.07 0.40 -0.49 -0.92 -3.45 0.00 0.00 179.45 174.92 1u96 h TYR 54 N -0.21 -1.34 -0.16 1.91 5.03 -0.63 0.82 116.97 122.39 1u96 h TYR 54 Ca 0.02 -0.00 0.05 0.00 2.58 0.00 0.00 58.73 61.37 1u96 h TYR 54 Cb 0.36 0.50 -0.07 0.00 1.55 0.00 0.00 36.73 39.06 1u96 h TYR 54 CO 0.04 -0.70 -0.41 0.87 -1.32 0.00 0.00 178.16 176.64 1u96 h LYS 55 N -1.10 -0.45 -0.10 1.82 1.57 -1.36 0.38 116.57 117.32 1u96 h LYS 55 Ca -0.08 0.03 0.02 0.00 -1.87 0.00 0.00 60.65 58.75 1u96 h LYS 55 Cb 0.92 0.10 -0.00 0.00 0.08 0.00 0.00 32.23 33.32 1u96 h LYS 55 CO 0.03 -0.30 0.07 1.49 -0.57 0.00 0.00 179.45 180.17 1u96 h GLU 56 N -0.47 0.04 0.00 3.15 4.57 -1.27 0.32 114.58 120.92 1u96 h GLU 56 Ca 0.08 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.26 1u96 h GLU 56 Cb 0.62 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.20 1u96 h GLU 56 CO -0.41 0.03 -0.34 0.00 -1.18 0.00 0.00 179.01 177.10 1u96 n MET 58 N -2.02 0.68 -0.10 0.00 2.81 0.12 -4.47 117.12 114.13 1u96 n MET 58 Ca 0.05 -0.13 -0.13 0.00 -1.81 0.00 0.00 57.70 55.67 1u96 n MET 58 Cb 0.41 -1.37 -0.11 0.00 -0.71 0.00 0.00 33.22 31.44 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 -1.97 0.74 -2.13 0.03 2.85 0.93 -2.62 118.16 115.99 1u96 n LYS 59 Ca -0.02 0.09 -0.29 0.00 -1.05 0.00 0.00 58.31 57.03 1u96 n LYS 59 Cb 0.40 -1.45 -0.05 0.00 -0.65 0.00 0.00 35.03 33.29 1u96 n LYS 59 CO 0.00 0.00 0.00 0.20 -0.05 0.00 0.00 177.40 177.55 1u96 s GLY 60 N -5.85 0.36 -1.43 2.58 0.00 -0.83 -3.49 107.32 98.66 1u96 s GLY 60 Ca -0.23 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 42.71 1u96 s GLY 60 CO 0.58 3.38 0.00 -1.72 0.00 0.00 0.00 173.10 175.34 1u96 n TYR 61 N 13.25 0.00 0.00 1.90 4.02 -1.26 -4.89 117.16 130.18 1u96 n TYR 61 Ca 0.41 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 58.30 1u96 n TYR 61 Cb 0.47 -2.80 0.00 0.00 -0.02 0.00 0.00 39.34 37.00 1u96 n TYR 61 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1u96 n GLY 62 N -0.30 -0.31 0.00 2.72 0.00 -1.23 -5.06 105.19 101.02 1u96 n GLY 62 Ca -0.13 -0.16 0.00 0.00 0.00 0.00 0.00 46.02 45.72 1u96 n GLY 62 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1u96 n PHE 63 N 0.00 0.00 0.00 1.61 7.35 -1.08 -4.98 117.46 120.36 1u96 n PHE 63 Ca 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 57.45 56.69 1u96 n PHE 63 Cb 0.00 0.00 0.00 0.00 0.35 0.00 0.00 39.48 39.83 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.91 -0.76 0.00 0.00 176.76 174.09 1u96 n GLU 64 N -0.04 0.00 -0.74 -4.13 0.00 -1.24 -4.76 120.64 109.73 1u96 n GLU 64 Ca 0.00 0.05 -0.32 0.00 0.00 0.00 0.00 57.16 56.89 1u96 n GLU 64 Cb 0.00 -0.90 0.14 0.00 0.00 0.00 0.00 31.44 30.68 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 -0.45 0.00 -1.02 6.31 0.24 -1.25 -4.32 118.33 117.84 1u96 n VAL 65 Ca 0.00 -0.11 -0.14 0.00 -2.04 0.00 0.00 64.34 62.04 1u96 n VAL 65 Cb 0.00 -0.78 0.11 0.00 -1.47 0.00 0.00 33.84 31.71 1u96 n VAL 65 CO 0.00 0.00 0.00 -2.65 -2.14 0.00 0.00 176.83 172.04 1u96 n PRO 66 N -2.75 -1.50 -0.57 7.34 -0.02 -1.26 -4.86 135.00 131.37 1u96 n PRO 66 Ca 0.09 -0.90 -0.00 0.00 -2.02 0.00 0.00 63.50 60.67 1u96 n PRO 66 Cb 0.53 -0.74 -0.00 0.00 -0.02 0.00 0.00 33.50 33.27 1u96 n PRO 66 CO 0.00 0.00 0.00 0.45 1.98 0.00 0.00 175.50 177.93 1u96 n SER 67 N -3.72 -0.01 -2.68 2.55 2.88 -1.26 -4.97 113.62 106.41 1u96 n SER 67 Ca 0.08 -1.49 -0.02 0.00 -1.33 0.00 0.00 58.87 56.11 1u96 n SER 67 Cb 0.28 -0.07 -0.02 0.00 -0.75 0.00 0.00 64.21 63.65 1u96 n SER 67 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1u96 n ALA 68 N 0.02 -3.57 -0.47 -1.46 0.00 -1.26 -5.23 120.51 108.54 1u96 n ALA 68 Ca -0.01 1.17 0.00 0.00 0.00 0.00 0.00 53.44 54.60 1u96 n ALA 68 Cb 0.62 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.76 1u96 n ALA 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79