#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 4.89 -0.15 3.17 -4.23 -1.26 -5.04 115.64 113.02 1u96 s THR 2 Ca 0.00 1.51 0.01 0.00 -1.18 0.00 0.00 61.69 62.04 1u96 s THR 2 Cb 0.00 -4.09 0.02 0.00 1.34 0.00 0.00 72.50 69.77 1u96 s THR 2 CO 0.00 -0.00 -0.19 -0.70 -0.54 0.00 0.00 174.62 173.19 1u96 s GLU 3 N 2.41 2.72 0.64 3.99 2.56 -1.26 -5.13 118.70 124.64 1u96 s GLU 3 Ca 0.35 -0.73 0.04 0.00 0.00 0.00 0.00 54.97 54.63 1u96 s GLU 3 Cb -0.16 -2.31 0.10 0.00 2.00 0.00 0.00 34.13 33.76 1u96 s GLU 3 CO 0.10 -0.13 0.88 0.95 -0.56 0.00 0.00 175.26 176.50 1u96 s THR 4 N 1.13 2.19 0.00 -1.70 -4.23 -1.26 -5.04 115.64 106.72 1u96 s THR 4 Ca -0.01 -0.80 0.00 0.00 -1.18 0.00 0.00 61.69 59.70 1u96 s THR 4 Cb -0.14 -2.39 0.00 0.00 1.34 0.00 0.00 72.50 71.31 1u96 s THR 4 CO -0.07 0.00 0.68 -0.67 -0.54 0.00 0.00 174.62 174.02 1u96 n ASP 5 N -2.52 0.00 -0.39 3.99 2.03 -1.26 -5.14 116.55 113.27 1u96 n ASP 5 Ca 0.15 -1.37 0.00 0.00 0.52 0.00 0.00 54.79 54.09 1u96 n ASP 5 Cb 0.61 -0.07 0.00 0.00 -0.72 0.00 0.00 41.12 40.93 1u96 n ASP 5 CO 0.00 0.00 0.00 0.29 -1.92 0.00 0.00 177.20 175.57 1u96 n LYS 6 N 0.00 0.00 -3.68 -0.67 5.02 -1.26 -4.85 118.16 112.72 1u96 n LYS 6 Ca 0.00 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.17 1u96 n LYS 6 Cb 0.57 0.00 -0.12 0.00 -0.02 0.00 0.00 35.03 35.46 1u96 n LYS 6 CO 0.00 0.00 0.00 0.21 -0.52 0.00 0.00 177.40 177.09 1u96 s LYS 7 N 0.00 0.23 0.00 1.97 2.36 -1.26 -5.16 119.74 117.88 1u96 s LYS 7 Ca 0.00 0.77 -0.07 0.00 -2.55 0.00 0.00 55.97 54.12 1u96 s LYS 7 Cb 0.00 0.03 0.00 0.00 -1.05 0.00 0.00 37.83 36.81 1u96 s LYS 7 CO 0.00 -0.24 0.13 -1.14 1.55 0.00 0.00 175.35 175.65 1u96 s GLN 8 N 2.10 0.47 0.58 4.03 0.74 -1.26 -5.16 119.66 121.16 1u96 s GLN 8 Ca -0.03 -0.39 -0.15 0.00 0.05 0.00 0.00 55.36 54.84 1u96 s GLN 8 Cb -0.11 0.19 -0.05 0.00 1.10 0.00 0.00 33.01 34.15 1u96 s GLN 8 CO -0.10 -0.11 1.03 -1.21 -0.55 0.00 0.00 175.29 174.35 1u96 s GLU 9 N -1.35 3.54 0.24 1.67 0.41 -1.26 -5.08 118.70 116.87 1u96 s GLU 9 Ca -0.14 1.00 0.04 0.00 -0.41 0.00 0.00 54.97 55.46 1u96 s GLU 9 Cb -0.08 -2.07 -0.02 0.00 -1.78 0.00 0.00 34.13 30.19 1u96 s GLU 9 CO 0.01 -0.61 0.15 0.00 -0.49 0.00 0.00 175.26 174.33 1u96 n GLN 10 N -2.14 0.43 -0.01 1.61 10.64 -1.26 -5.09 117.38 121.56 1u96 n GLN 10 Ca 0.07 -2.25 -0.01 0.00 -1.83 0.00 0.00 57.00 52.98 1u96 n GLN 10 Cb 0.54 1.61 -0.01 0.00 -0.86 0.00 0.00 30.24 31.52 1u96 n GLN 10 CO 0.00 0.00 0.00 -0.85 -1.83 0.00 0.00 177.06 174.38 1u96 n GLU 11 N -0.49 0.03 0.00 2.61 0.28 -1.26 -5.03 120.64 116.78 1u96 n GLU 11 Ca 0.02 0.01 0.00 0.00 -0.16 0.00 0.00 57.16 57.03 1u96 n GLU 11 Cb 0.40 -0.91 0.00 0.00 1.43 0.00 0.00 31.44 32.37 1u96 n GLU 11 CO 0.00 0.00 0.00 -1.71 -0.16 0.00 0.00 177.13 175.26 1u96 n ASN 12 N -2.66 0.00 -3.82 -1.84 5.15 -1.26 -4.45 115.26 106.38 1u96 n ASN 12 Ca -0.02 0.00 -0.14 0.00 -0.60 0.00 0.00 54.58 53.82 1u96 n ASN 12 Cb 0.52 0.00 -0.15 0.00 -0.53 0.00 0.00 39.78 39.62 1u96 n ASN 12 CO 0.00 0.00 0.00 -2.28 1.40 0.00 0.00 177.26 176.38 1u96 s HIS 13 N 0.00 0.05 0.31 1.20 5.04 -1.26 -5.15 115.29 115.48 1u96 s HIS 13 Ca 0.00 0.07 -0.16 0.00 -1.54 0.00 0.00 55.06 53.42 1u96 s HIS 13 Cb 0.00 -0.16 0.02 0.00 0.04 0.00 0.00 32.58 32.48 1u96 s HIS 13 CO 0.00 -0.06 0.67 0.00 -2.34 0.00 0.00 174.74 173.02 1u96 s ALA 14 N 0.64 -0.72 -0.11 1.58 0.00 -1.26 -5.16 121.76 116.73 1u96 s ALA 14 Ca -0.05 -0.66 -0.13 0.00 0.00 0.00 0.00 51.96 51.12 1u96 s ALA 14 Cb -0.08 0.87 -0.05 0.00 0.00 0.00 0.00 23.12 23.86 1u96 s ALA 14 CO -0.02 -0.97 0.30 -2.00 0.00 0.00 0.00 175.76 173.07 1u96 s GLU 15 N -3.39 4.02 0.06 0.00 2.12 -1.26 -5.08 118.70 115.17 1u96 s GLU 15 Ca 0.16 0.14 -0.13 0.00 0.36 0.00 0.00 54.97 55.50 1u96 s GLU 15 Cb -0.04 -3.33 0.02 0.00 0.26 0.00 0.00 34.13 31.03 1u96 s GLU 15 CO 0.10 0.45 0.29 0.00 -0.54 0.00 0.00 175.26 175.56 1u96 n GLU 17 N 0.41 0.47 -4.79 0.00 2.13 -1.26 -4.77 120.64 112.83 1u96 n GLU 17 Ca -0.18 0.37 -0.29 0.00 0.66 0.00 0.00 57.16 57.72 1u96 n GLU 17 Cb 0.60 -1.54 -0.14 0.00 0.27 0.00 0.00 31.44 30.63 1u96 n GLU 17 CO 0.00 0.00 0.00 0.34 -0.41 0.00 0.00 177.13 177.06 1u96 s ASP 18 N -5.75 3.04 -0.21 4.31 -1.08 -1.26 -4.28 116.67 111.46 1u96 s ASP 18 Ca -0.21 -0.60 -0.11 0.00 -0.52 0.00 0.00 52.55 51.12 1u96 s ASP 18 Cb 0.03 -0.26 0.04 0.00 -1.46 0.00 0.00 42.92 41.27 1u96 s ASP 18 CO 0.31 0.23 0.22 1.17 0.52 0.00 0.00 175.17 177.62 1u96 n LYS 19 N 1.69 -4.50 -0.07 4.34 4.81 -1.26 -4.96 118.16 118.20 1u96 n LYS 19 Ca -0.17 3.40 -0.06 0.00 -0.87 0.00 0.00 58.31 60.61 1u96 n LYS 19 Cb 0.52 -5.14 -0.02 0.00 0.02 0.00 0.00 35.03 30.42 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 1.59 0.47 -2.69 1.64 -0.04 -1.26 -4.93 135.00 129.78 1u96 n PRO 20 Ca -0.37 0.49 -0.06 0.00 -0.04 0.00 0.00 63.50 63.52 1u96 n PRO 20 Cb 0.58 -1.66 0.07 0.00 -0.04 0.00 0.00 33.50 32.45 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 -4.59 0.61 -3.45 0.54 2.85 -1.26 -5.11 118.16 107.75 1u96 n LYS 21 Ca -0.09 -1.25 -0.38 0.00 -1.05 0.00 0.00 58.31 55.54 1u96 n LYS 21 Cb 0.32 -0.28 -0.06 0.00 -0.65 0.00 0.00 35.03 34.36 1u96 n LYS 21 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 177.40 176.10 1u96 s PRO 22 N 0.13 4.10 0.00 -1.58 0.04 -1.26 -4.87 135.00 131.56 1u96 s PRO 22 Ca 0.16 0.38 0.00 0.00 0.04 0.00 0.00 61.00 61.58 1u96 s PRO 22 Cb 0.26 -3.32 0.00 0.00 0.04 0.00 0.00 34.50 31.48 1u96 s PRO 22 CO -0.09 0.46 0.09 0.00 0.04 0.00 0.00 177.00 177.50 1u96 n VAL 25 N -1.60 0.66 -4.06 0.00 0.31 -1.26 -5.07 118.33 107.32 1u96 n VAL 25 Ca 0.02 -0.72 -0.10 0.00 -0.01 0.00 0.00 64.34 63.53 1u96 n VAL 25 Cb 0.33 0.56 -0.11 0.00 -0.91 0.00 0.00 33.84 33.71 1u96 n VAL 25 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1u96 n LYS 27 N 0.98 0.00 0.07 0.00 3.00 -1.26 -4.81 118.16 116.14 1u96 n LYS 27 Ca -0.20 0.00 -0.13 0.00 -0.00 0.00 0.00 58.31 57.99 1u96 n LYS 27 Cb 0.57 0.00 -0.04 0.00 0.00 0.00 0.00 35.03 35.56 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.40 176.40 1u96 h PRO 28 N 0.00 0.37 -0.17 1.64 0.13 -2.01 -3.32 132.00 128.65 1u96 h PRO 28 Ca 0.00 -0.40 0.05 0.00 -0.87 0.00 0.00 66.00 64.78 1u96 h PRO 28 Cb 0.00 0.11 -0.05 0.00 0.13 0.00 0.00 31.00 31.19 1u96 h PRO 28 CO 0.00 1.08 -0.17 1.49 -0.23 0.00 0.00 178.00 180.17 1u96 h GLU 29 N 0.21 -0.18 -0.98 0.86 4.22 -1.98 -1.18 114.58 115.55 1u96 h GLU 29 Ca -0.07 0.01 0.14 0.00 0.08 0.00 0.00 59.36 59.52 1u96 h GLU 29 Cb 1.56 0.04 -0.09 0.00 0.50 0.00 0.00 28.75 30.77 1u96 h GLU 29 CO 0.16 -0.12 0.62 0.87 -2.18 0.00 0.00 179.01 178.35 1u96 h LYS 30 N -0.19 0.85 -0.49 1.92 1.57 -1.97 -0.28 116.57 117.99 1u96 h LYS 30 Ca 0.11 -0.05 -0.10 0.00 -1.87 0.00 0.00 60.65 58.73 1u96 h LYS 30 Cb 0.35 -0.19 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1u96 h LYS 30 CO -0.28 0.57 -0.10 1.49 -0.57 0.00 0.00 179.45 180.55 1u96 h GLU 31 N 0.88 0.90 0.64 3.15 4.81 -1.40 -0.94 114.58 122.63 1u96 h GLU 31 Ca 0.51 -0.31 -0.03 0.00 -0.13 0.00 0.00 59.36 59.39 1u96 h GLU 31 Cb 0.63 -0.07 0.01 0.00 0.63 0.00 0.00 28.75 29.95 1u96 h GLU 31 CO -0.28 0.96 -0.31 0.93 -0.73 0.00 0.00 179.01 179.59 1u96 h GLU 32 N 0.81 -0.83 -0.72 1.92 5.08 0.05 -2.03 114.58 118.86 1u96 h GLU 32 Ca 0.13 0.06 0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1u96 h GLU 32 Cb 0.63 0.19 -0.05 0.00 0.50 0.00 0.00 28.75 30.02 1u96 h GLU 32 CO 0.04 -0.51 0.44 -0.09 -1.00 0.00 0.00 179.01 177.89 1u96 h ARG 33 N -1.08 0.82 0.08 2.33 2.43 -1.30 -2.01 114.38 115.65 1u96 h ARG 33 Ca -0.09 -0.05 0.02 0.00 -0.81 0.00 0.00 59.98 59.06 1u96 h ARG 33 Cb 0.70 -0.19 -0.04 0.00 -0.42 0.00 0.00 29.97 30.03 1u96 h ARG 33 CO 0.14 0.54 -0.32 0.22 -1.51 0.00 0.00 179.97 179.05 1u96 h ASP 34 N 0.85 -0.92 -0.53 -3.80 3.58 -1.15 -1.01 116.42 113.43 1u96 h ASP 34 Ca 0.30 0.11 0.08 0.00 0.42 0.00 0.00 57.03 57.94 1u96 h ASP 34 Cb 0.08 0.36 -0.06 0.00 1.72 0.00 0.00 39.33 41.42 1u96 h ASP 34 CO -0.14 -0.40 0.18 0.74 -2.88 0.00 0.00 179.24 176.75 1u96 h THR 35 N -0.52 0.80 -0.91 2.25 2.02 -1.09 -0.43 112.91 115.03 1u96 h THR 35 Ca 0.04 -0.12 0.10 0.00 0.77 0.00 0.00 66.41 67.20 1u96 h THR 35 Cb 0.57 0.42 -0.07 0.00 -1.74 0.00 0.00 68.15 67.33 1u96 h THR 35 CO -0.21 0.06 0.59 0.00 0.37 0.00 0.00 175.52 176.33 1u96 h ILE 37 N 0.93 1.13 -0.21 0.00 2.04 0.05 -0.14 117.51 121.31 1u96 h ILE 37 Ca 0.42 -2.06 -0.19 0.00 1.00 0.00 0.00 64.86 64.04 1u96 h ILE 37 Cb 0.39 2.20 -0.00 0.00 -0.74 0.00 0.00 36.82 38.67 1u96 h ILE 37 CO -0.18 0.53 -0.61 -0.07 0.00 0.00 0.00 178.15 177.81 1u96 h LEU 38 N 0.00 0.81 0.00 1.44 3.38 0.50 0.12 115.31 121.56 1u96 h LEU 38 Ca -0.01 -0.46 -0.28 0.00 0.09 0.00 0.00 57.88 57.22 1u96 h LEU 38 Cb 1.16 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.62 1u96 h LEU 38 CO 0.07 1.23 -1.63 -0.26 0.09 0.00 0.00 178.44 177.94 1u96 h PHE 39 N 0.53 0.01 0.00 1.13 -1.00 -1.30 -3.42 116.94 112.89 1u96 h PHE 39 Ca -0.01 -0.01 0.00 0.00 2.81 0.00 0.00 57.97 60.77 1u96 h PHE 39 Cb 1.20 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 40.76 1u96 h PHE 39 CO 0.06 1.01 -0.53 0.09 -1.61 0.00 0.00 178.31 177.34 1u96 n ASN 40 N -3.09 1.10 0.00 2.17 4.13 -0.07 -5.11 115.26 114.39 1u96 n ASN 40 Ca -0.15 0.23 0.00 0.00 1.68 0.00 0.00 54.58 56.34 1u96 n ASN 40 Cb 1.04 -0.65 0.00 0.00 -1.54 0.00 0.00 39.78 38.63 1u96 n ASN 40 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1u96 n GLY 41 N 1.50 2.10 0.00 7.41 0.00 0.41 -4.83 105.19 111.78 1u96 n GLY 41 Ca -0.07 -1.96 0.13 0.00 0.00 0.00 0.00 46.02 44.12 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 -1.68 0.43 -3.22 1.61 6.02 -1.26 -4.46 117.38 114.81 1u96 n GLN 42 Ca 0.00 0.03 -0.02 0.00 -0.01 0.00 0.00 57.00 57.00 1u96 n GLN 42 Cb 0.00 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1u96 n GLN 42 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1u96 s ASP 43 N -2.51 -0.88 -0.30 1.08 2.15 -1.26 -4.89 116.67 110.07 1u96 s ASP 43 Ca 0.27 -0.42 -0.14 0.00 0.43 0.00 0.00 52.55 52.68 1u96 s ASP 43 Cb 0.18 1.66 0.17 0.00 -0.30 0.00 0.00 42.92 44.63 1u96 s ASP 43 CO 0.40 -0.27 1.01 -0.55 -0.17 0.00 0.00 175.17 175.58 1u96 s SER 44 N 2.32 -0.55 -1.80 -0.34 0.15 -1.26 -4.93 113.70 107.28 1u96 s SER 44 Ca 0.13 0.65 0.00 0.00 0.70 0.00 0.00 55.95 57.43 1u96 s SER 44 Cb -0.09 1.59 0.00 0.00 -1.71 0.00 0.00 66.02 65.81 1u96 s SER 44 CO -0.19 -0.10 0.00 -0.62 1.20 0.00 0.00 173.24 173.53 1u96 n GLU 45 N 5.05 -1.41 -2.75 5.44 4.71 -1.26 -3.54 120.64 126.88 1u96 n GLU 45 Ca -0.08 1.00 -0.01 0.00 -0.01 0.00 0.00 57.16 58.06 1u96 n GLU 45 Cb 0.53 -5.35 0.00 0.00 -1.01 0.00 0.00 31.44 25.61 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1u96 n LYS 46 N -2.19 -3.33 -0.13 3.49 4.01 -1.26 -4.87 118.16 113.88 1u96 n LYS 46 Ca -0.17 2.69 0.03 0.00 -0.51 0.00 0.00 58.31 60.34 1u96 n LYS 46 Cb 0.57 -5.34 0.09 0.00 -0.51 0.00 0.00 35.03 29.85 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 0.10 0.20 -0.16 0.00 2.85 -1.26 -3.29 118.16 116.60 1u96 n LYS 48 Ca 0.07 0.12 -0.07 0.00 -1.05 0.00 0.00 58.31 57.39 1u96 n LYS 48 Cb 0.25 -1.50 0.02 0.00 -0.65 0.00 0.00 35.03 33.15 1u96 n LYS 48 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 177.40 178.84 1u96 h GLU 49 N 0.00 0.61 -0.61 -1.58 4.57 -1.95 -1.70 114.58 113.92 1u96 h GLU 49 Ca 0.00 -0.04 -0.06 0.00 -1.18 0.00 0.00 59.36 58.08 1u96 h GLU 49 Cb 0.22 -0.14 -0.03 0.00 -0.16 0.00 0.00 28.75 28.64 1u96 h GLU 49 CO 0.00 0.40 0.13 0.74 -1.18 0.00 0.00 179.01 179.11 1u96 h PHE 50 N 0.63 1.00 -0.34 0.92 -1.00 -1.90 -1.80 116.94 114.44 1u96 h PHE 50 Ca 0.18 -0.11 -0.01 0.00 2.81 0.00 0.00 57.97 60.84 1u96 h PHE 50 Cb -0.04 -0.29 -0.02 0.00 3.61 0.00 0.00 35.95 39.22 1u96 h PHE 50 CO -0.05 0.83 0.16 0.82 -1.61 0.00 0.00 178.31 178.46 1u96 h ILE 51 N 0.92 1.17 0.16 -0.55 2.04 -1.63 -1.06 117.51 118.55 1u96 h ILE 51 Ca 0.19 -0.50 -0.01 0.00 1.00 0.00 0.00 64.86 65.55 1u96 h ILE 51 Cb 0.35 0.86 0.00 0.00 -0.74 0.00 0.00 36.82 37.29 1u96 h ILE 51 CO 0.00 0.18 -0.08 -0.33 0.00 0.00 0.00 178.15 177.93 1u96 h GLU 52 N 0.42 -0.21 -0.88 2.37 5.08 -1.14 -2.14 114.58 118.08 1u96 h GLU 52 Ca 0.12 0.01 0.14 0.00 -1.00 0.00 0.00 59.36 58.63 1u96 h GLU 52 Cb 0.14 0.05 -0.07 0.00 0.50 0.00 0.00 28.75 29.37 1u96 h GLU 52 CO -0.01 -0.05 0.57 -0.22 -1.00 0.00 0.00 179.01 178.29 1u96 h LYS 53 N -0.32 0.65 0.89 2.33 3.64 -1.25 -1.37 116.57 121.15 1u96 h LYS 53 Ca -0.02 -0.04 -0.04 0.00 -1.27 0.00 0.00 60.65 59.27 1u96 h LYS 53 Cb 0.25 -0.15 0.01 0.00 -0.41 0.00 0.00 32.23 31.93 1u96 h LYS 53 CO 0.04 0.43 -0.43 -0.92 -2.27 0.00 0.00 179.45 176.30 1u96 h TYR 54 N 0.67 -1.11 0.22 1.91 3.20 -0.75 -0.81 116.97 120.29 1u96 h TYR 54 Ca 0.44 -0.03 0.01 0.00 3.14 0.00 0.00 58.73 62.30 1u96 h TYR 54 Cb 0.72 0.37 -0.04 0.00 1.54 0.00 0.00 36.73 39.33 1u96 h TYR 54 CO -0.00 -0.69 -0.39 0.87 -1.64 0.00 0.00 178.16 176.31 1u96 h LYS 55 N -1.20 -0.66 -0.78 1.82 1.57 -0.94 0.18 116.57 116.56 1u96 h LYS 55 Ca -0.12 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.84 1u96 h LYS 55 Cb 0.92 0.15 -0.05 0.00 0.08 0.00 0.00 32.23 33.33 1u96 h LYS 55 CO 0.20 -0.44 0.52 1.05 -0.57 0.00 0.00 179.45 180.21 1u96 h GLU 56 N -0.68 0.52 0.00 3.15 4.11 -1.32 0.26 114.58 120.62 1u96 h GLU 56 Ca 0.00 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.40 1u96 h GLU 56 Cb 0.67 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.80 1u96 h GLU 56 CO -0.17 0.35 -0.35 0.00 0.07 0.00 0.00 179.01 178.91 1u96 n MET 58 N -2.13 0.00 0.00 0.00 2.81 0.59 -4.54 117.12 113.84 1u96 n MET 58 Ca 0.04 0.02 0.06 0.00 -1.81 0.00 0.00 57.70 56.01 1u96 n MET 58 Cb 0.43 -0.35 0.28 0.00 -0.71 0.00 0.00 33.22 32.87 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 -2.06 0.13 0.14 0.03 -0.00 0.63 -2.82 118.16 114.21 1u96 n LYS 59 Ca 0.00 0.20 0.09 0.00 -0.00 0.00 0.00 58.31 58.61 1u96 n LYS 59 Cb 0.00 -1.50 0.50 0.00 -0.00 0.00 0.00 35.03 34.03 1u96 n LYS 59 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1u96 n GLY 60 N -0.32 -0.82 0.00 2.58 0.00 -1.13 -3.50 105.19 102.00 1u96 n GLY 60 Ca 0.05 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.24 1u96 n GLY 60 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 1u96 n TYR 61 N -2.15 0.00 0.00 1.61 9.36 -1.14 -5.06 117.16 119.78 1u96 n TYR 61 Ca -0.01 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.21 1u96 n TYR 61 Cb 0.03 0.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.74 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 1.31 -0.26 1.29 2.98 0.00 -1.13 -5.17 105.19 104.22 1u96 n GLY 62 Ca 0.00 0.54 0.17 0.00 0.00 0.00 0.00 46.02 46.73 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 -3.21 -3.67 1.61 7.35 -1.25 -3.96 117.46 114.33 1u96 n PHE 63 Ca 0.00 1.64 -0.39 0.00 -0.76 0.00 0.00 57.45 57.94 1u96 n PHE 63 Cb 0.00 -2.91 -0.11 0.00 0.35 0.00 0.00 39.48 36.80 1u96 n PHE 63 CO 0.00 0.00 0.00 -1.21 -0.76 0.00 0.00 176.76 174.79 1u96 s GLU 64 N -2.71 2.67 -0.02 -4.13 0.41 -1.26 -4.90 118.70 108.76 1u96 s GLU 64 Ca 0.00 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.34 1u96 s GLU 64 Cb 0.00 -3.62 0.01 0.00 -1.78 0.00 0.00 34.13 28.74 1u96 s GLU 64 CO 0.00 -0.75 -0.01 0.08 -0.49 0.00 0.00 175.26 174.10 1u96 s VAL 65 N 1.45 0.14 1.03 2.63 1.01 -1.26 -4.62 120.40 120.77 1u96 s VAL 65 Ca 0.01 0.03 -0.13 0.00 0.00 0.00 0.00 61.98 61.88 1u96 s VAL 65 Cb -0.20 -0.19 0.20 0.00 0.00 0.00 0.00 36.38 36.20 1u96 s VAL 65 CO 0.04 0.09 1.09 -2.84 0.00 0.00 0.00 175.10 173.48 1u96 s PRO 66 N 0.54 0.19 0.54 2.72 0.02 -1.26 -5.02 135.00 132.73 1u96 s PRO 66 Ca -0.05 0.43 -0.16 0.00 0.02 0.00 0.00 61.00 61.24 1u96 s PRO 66 Cb -0.08 -1.72 -0.07 0.00 0.02 0.00 0.00 34.50 32.66 1u96 s PRO 66 CO -0.01 -2.87 1.00 -1.12 -0.33 0.00 0.00 177.00 173.67 1u96 s SER 67 N -3.50 6.45 0.00 2.53 0.01 -1.26 -4.90 113.70 113.03 1u96 s SER 67 Ca 0.66 1.60 0.30 0.00 1.31 0.00 0.00 55.95 59.82 1u96 s SER 67 Cb -0.18 -2.51 1.45 0.00 0.21 0.00 0.00 66.02 64.99 1u96 s SER 67 CO 0.58 -0.71 2.00 0.00 0.41 0.00 0.00 173.24 175.52 1u96 n ALA 68 N -1.76 2.59 -0.43 1.44 0.00 -1.26 -4.79 120.51 116.29 1u96 n ALA 68 Ca 0.07 -0.18 0.00 0.00 0.00 0.00 0.00 53.44 53.32 1u96 n ALA 68 Cb 0.54 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1u96 n ALA 68 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79