#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u96 n THR 2 N 0.00 0.00 -1.72 2.03 -2.24 -1.26 -5.10 114.28 105.99 1u96 n THR 2 Ca 0.00 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.48 1u96 n THR 2 Cb 0.00 -0.78 0.21 0.00 -2.10 0.00 0.00 70.33 67.66 1u96 n THR 2 CO 0.00 0.00 0.00 -1.83 -0.57 0.00 0.00 175.07 172.67 1u96 s GLU 3 N -1.86 0.05 0.06 -0.78 -1.05 -1.26 -5.10 118.70 108.77 1u96 s GLU 3 Ca 0.00 -0.37 0.03 0.00 -0.15 0.00 0.00 54.97 54.49 1u96 s GLU 3 Cb 0.00 -1.77 -0.03 0.00 -0.44 0.00 0.00 34.13 31.89 1u96 s GLU 3 CO 0.00 -2.81 -0.10 0.95 0.95 0.00 0.00 175.26 174.24 1u96 s THR 4 N -3.69 0.80 -0.27 1.83 -4.23 -1.26 -5.13 115.64 103.70 1u96 s THR 4 Ca 0.74 -1.25 -0.01 0.00 -1.18 0.00 0.00 61.69 59.99 1u96 s THR 4 Cb -0.05 -0.89 0.13 0.00 1.34 0.00 0.00 72.50 73.03 1u96 s THR 4 CO 0.54 -0.36 0.28 -1.81 -0.54 0.00 0.00 174.62 172.73 1u96 s ASP 5 N -1.78 1.57 0.15 3.99 1.01 -1.26 -5.15 116.67 115.21 1u96 s ASP 5 Ca -0.05 -0.59 0.09 0.00 0.71 0.00 0.00 52.55 52.71 1u96 s ASP 5 Cb -0.09 0.50 -0.04 0.00 1.01 0.00 0.00 42.92 44.30 1u96 s ASP 5 CO 0.01 -0.37 -0.19 -0.54 0.21 0.00 0.00 175.17 174.28 1u96 s LYS 6 N 2.36 1.27 -0.50 8.23 -0.14 -1.26 -5.07 119.74 124.63 1u96 s LYS 6 Ca 0.09 -1.37 -0.26 0.00 -1.36 0.00 0.00 55.97 53.07 1u96 s LYS 6 Cb -0.14 -1.39 -0.05 0.00 -1.68 0.00 0.00 37.83 34.56 1u96 s LYS 6 CO -0.27 0.29 2.18 0.15 -0.76 0.00 0.00 175.35 176.94 1u96 s LYS 7 N -2.60 2.43 -0.18 1.68 -0.14 -1.26 -4.07 119.74 115.61 1u96 s LYS 7 Ca 0.14 1.20 -0.06 0.00 -1.36 0.00 0.00 55.97 55.89 1u96 s LYS 7 Cb -0.07 -4.48 0.02 0.00 -1.68 0.00 0.00 37.83 31.63 1u96 s LYS 7 CO 0.06 -2.92 0.12 0.94 -0.76 0.00 0.00 175.35 172.80 1u96 n GLN 8 N 9.01 -3.47 -4.02 1.68 7.27 -1.26 -4.98 117.38 121.61 1u96 n GLN 8 Ca 0.30 2.74 -0.35 0.00 0.07 0.00 0.00 57.00 59.76 1u96 n GLN 8 Cb 0.53 -4.25 -0.12 0.00 2.41 0.00 0.00 30.24 28.80 1u96 n GLN 8 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1u96 s GLU 9 N -0.91 3.70 -0.23 3.69 2.12 -1.26 -5.07 118.70 120.73 1u96 s GLU 9 Ca -0.14 -0.48 -0.03 0.00 0.36 0.00 0.00 54.97 54.68 1u96 s GLU 9 Cb 0.01 -3.15 0.13 0.00 0.26 0.00 0.00 34.13 31.38 1u96 s GLU 9 CO 0.62 0.03 0.38 -1.14 -0.54 0.00 0.00 175.26 174.61 1u96 s GLN 10 N 0.98 0.34 0.12 4.30 2.00 -1.26 -5.08 119.66 121.06 1u96 s GLN 10 Ca 0.02 0.60 0.00 0.00 -2.00 0.00 0.00 55.36 53.98 1u96 s GLN 10 Cb -0.14 -0.37 0.00 0.00 0.80 0.00 0.00 33.01 33.29 1u96 s GLN 10 CO 0.02 -0.58 0.00 0.39 -0.50 0.00 0.00 175.29 174.62 1u96 n GLU 11 N 5.37 -4.69 -4.85 1.67 1.02 -1.26 -5.02 120.64 112.87 1u96 n GLU 11 Ca -0.04 3.42 -0.33 0.00 -0.02 0.00 0.00 57.16 60.19 1u96 n GLU 11 Cb 0.50 -3.84 -0.13 0.00 -0.02 0.00 0.00 31.44 27.95 1u96 n GLU 11 CO 0.00 0.00 0.00 -0.80 1.18 0.00 0.00 177.13 177.51 1u96 s ASN 12 N -0.47 4.11 -0.07 1.62 0.01 -1.26 -5.12 114.94 113.77 1u96 s ASN 12 Ca 0.00 -0.18 -0.00 0.00 -0.71 0.00 0.00 52.86 51.97 1u96 s ASN 12 Cb 0.00 -0.92 0.02 0.00 0.41 0.00 0.00 41.25 40.76 1u96 s ASN 12 CO 0.00 0.34 -0.04 -2.28 -1.51 0.00 0.00 177.10 173.61 1u96 s HIS 13 N -0.69 0.90 0.00 2.20 5.65 -1.26 -4.94 115.29 117.14 1u96 s HIS 13 Ca 0.11 -0.31 0.00 0.00 0.25 0.00 0.00 55.06 55.10 1u96 s HIS 13 Cb -0.11 -0.85 0.00 0.00 -1.18 0.00 0.00 32.58 30.44 1u96 s HIS 13 CO 0.01 -0.32 0.00 0.00 -0.65 0.00 0.00 174.74 173.78 1u96 n ALA 14 N 4.67 0.00 -1.31 1.58 0.00 -1.26 -5.14 120.51 119.05 1u96 n ALA 14 Ca -0.15 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 52.96 1u96 n ALA 14 Cb 0.50 0.00 0.09 0.00 0.00 0.00 0.00 19.45 20.04 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 -1.02 2.22 0.03 0.00 1.03 -1.26 -4.67 118.70 115.03 1u96 s GLU 15 Ca 0.00 1.53 0.00 0.00 0.03 0.00 0.00 54.97 56.53 1u96 s GLU 15 Cb 0.00 -1.87 0.00 0.00 -0.80 0.00 0.00 34.13 31.46 1u96 s GLU 15 CO 0.00 -1.72 0.00 0.00 -1.33 0.00 0.00 175.26 172.21 1u96 n GLU 17 N 1.54 0.00 -4.53 0.00 4.07 -1.26 -5.15 120.64 115.31 1u96 n GLU 17 Ca 0.00 0.00 -0.26 0.00 -0.06 0.00 0.00 57.16 56.84 1u96 n GLU 17 Cb 0.00 0.00 -0.10 0.00 -0.06 0.00 0.00 31.44 31.28 1u96 n GLU 17 CO 0.00 0.00 0.00 -0.51 -0.06 0.00 0.00 177.13 176.56 1u96 s ASP 18 N -3.95 3.81 -0.05 4.31 1.01 -1.26 -4.79 116.67 115.75 1u96 s ASP 18 Ca 0.00 -1.21 -0.04 0.00 0.71 0.00 0.00 52.55 52.01 1u96 s ASP 18 Cb 0.00 -0.38 0.02 0.00 1.01 0.00 0.00 42.92 43.57 1u96 s ASP 18 CO 0.00 -0.25 0.08 0.29 0.21 0.00 0.00 175.17 175.50 1u96 n LYS 19 N -0.84 -5.02 0.00 8.23 4.01 -1.26 -4.92 118.16 118.35 1u96 n LYS 19 Ca -0.05 3.68 0.00 0.00 -0.51 0.00 0.00 58.31 61.43 1u96 n LYS 19 Cb 0.64 -4.84 0.00 0.00 -0.51 0.00 0.00 35.03 30.32 1u96 n LYS 19 CO 0.00 0.00 0.00 -0.35 -1.11 0.00 0.00 177.40 175.94 1u96 n PRO 20 N 1.79 0.00 -0.07 1.97 -0.04 -1.26 -4.81 135.00 132.58 1u96 n PRO 20 Ca -0.14 0.06 -0.15 0.00 -0.04 0.00 0.00 63.50 63.23 1u96 n PRO 20 Cb 0.22 -0.78 -0.05 0.00 -0.04 0.00 0.00 33.50 32.85 1u96 n PRO 20 CO 0.00 0.00 0.00 1.63 -0.04 0.00 0.00 175.50 177.09 1u96 n LYS 21 N -0.67 0.29 0.00 0.54 4.76 -1.26 -4.88 118.16 116.93 1u96 n LYS 21 Ca 0.00 0.13 0.00 0.00 -2.87 0.00 0.00 58.31 55.57 1u96 n LYS 21 Cb 0.00 -0.99 0.00 0.00 -1.84 0.00 0.00 35.03 32.20 1u96 n LYS 21 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 1u96 n PRO 22 N -3.61 0.00 -1.50 1.97 -0.02 -1.26 -4.77 135.00 125.80 1u96 n PRO 22 Ca -0.27 0.24 -0.13 0.00 -2.02 0.00 0.00 63.50 61.32 1u96 n PRO 22 Cb 0.69 -0.91 -0.05 0.00 -0.02 0.00 0.00 33.50 33.21 1u96 n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1u96 n VAL 25 N -2.62 3.73 -3.21 0.00 0.31 -1.26 -4.68 118.33 110.59 1u96 n VAL 25 Ca -0.25 -2.55 0.04 0.00 -0.01 0.00 0.00 64.34 61.57 1u96 n VAL 25 Cb 0.93 -2.05 -0.02 0.00 -0.91 0.00 0.00 33.84 31.78 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 5.36 0.00 0.03 0.00 5.02 -1.26 -4.72 118.16 122.60 1u96 n LYS 27 Ca -0.06 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.11 1u96 n LYS 27 Cb 0.53 -0.09 -0.09 0.00 -0.02 0.00 0.00 35.03 35.35 1u96 n LYS 27 CO 0.00 0.00 0.00 -1.00 -0.52 0.00 0.00 177.40 175.88 1u96 h PRO 28 N 0.00 -0.15 -0.33 1.97 0.13 -1.99 -1.93 132.00 129.70 1u96 h PRO 28 Ca 0.00 0.01 -0.07 0.00 -0.87 0.00 0.00 66.00 65.07 1u96 h PRO 28 Cb 0.11 0.03 -0.02 0.00 0.13 0.00 0.00 31.00 31.25 1u96 h PRO 28 CO 0.00 0.33 -0.09 1.49 -0.23 0.00 0.00 178.00 179.50 1u96 h GLU 29 N -0.75 0.56 0.11 0.86 4.57 -1.99 -1.82 114.58 116.11 1u96 h GLU 29 Ca -0.02 -0.15 -0.01 0.00 -1.18 0.00 0.00 59.36 58.01 1u96 h GLU 29 Cb 0.55 -0.06 0.00 0.00 -0.16 0.00 0.00 28.75 29.08 1u96 h GLU 29 CO 0.03 0.65 -0.05 -0.22 -1.18 0.00 0.00 179.01 178.23 1u96 h LYS 30 N 0.52 -0.14 -0.08 1.92 3.11 -1.84 -1.28 116.57 118.78 1u96 h LYS 30 Ca 0.10 0.01 0.01 0.00 -2.81 0.00 0.00 60.65 57.96 1u96 h LYS 30 Cb 0.47 0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.72 1u96 h LYS 30 CO 0.03 0.14 0.02 1.49 -2.81 0.00 0.00 179.45 178.32 1u96 h GLU 31 N -0.41 0.06 -0.94 1.90 4.81 -1.25 -1.86 114.58 116.89 1u96 h GLU 31 Ca -0.01 -0.00 0.03 0.00 -0.13 0.00 0.00 59.36 59.24 1u96 h GLU 31 Cb 0.34 -0.01 -0.05 0.00 0.63 0.00 0.00 28.75 29.66 1u96 h GLU 31 CO 0.02 0.04 0.62 0.93 -0.73 0.00 0.00 179.01 179.89 1u96 h GLU 32 N 0.06 1.17 0.61 1.92 5.08 -1.35 -1.51 114.58 120.56 1u96 h GLU 32 Ca 0.03 -0.07 -0.03 0.00 -1.00 0.00 0.00 59.36 58.29 1u96 h GLU 32 Cb 0.02 -0.26 0.01 0.00 0.50 0.00 0.00 28.75 29.01 1u96 h GLU 32 CO -0.03 0.77 -0.29 -0.09 -1.00 0.00 0.00 179.01 178.37 1u96 h ARG 33 N 1.21 -0.79 -0.77 2.33 2.43 -0.84 -1.96 114.38 115.99 1u96 h ARG 33 Ca 0.36 0.05 0.10 0.00 -0.81 0.00 0.00 59.98 59.69 1u96 h ARG 33 Cb -0.03 0.18 -0.05 0.00 -0.42 0.00 0.00 29.97 29.64 1u96 h ARG 33 CO -0.10 -0.49 0.50 -0.44 -1.51 0.00 0.00 179.97 177.93 1u96 h ASP 34 N -0.92 0.59 0.03 -3.80 3.32 -1.18 -1.85 116.42 112.61 1u96 h ASP 34 Ca -0.08 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 1u96 h ASP 34 Cb 0.66 -0.10 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1u96 h ASP 34 CO 0.14 0.34 -0.01 0.74 -1.72 0.00 0.00 179.24 178.73 1u96 h THR 35 N 0.64 1.03 -0.64 0.35 2.02 -1.06 0.95 112.91 116.21 1u96 h THR 35 Ca 0.36 -0.19 0.04 0.00 0.77 0.00 0.00 66.41 67.39 1u96 h THR 35 Cb 0.52 1.16 -0.05 0.00 -1.74 0.00 0.00 68.15 68.04 1u96 h THR 35 CO -0.13 0.05 0.37 0.00 0.37 0.00 0.00 175.52 176.18 1u96 h ILE 37 N 0.72 0.51 0.11 0.00 2.04 -1.17 0.58 117.51 120.30 1u96 h ILE 37 Ca 0.27 -0.95 -0.01 0.00 1.00 0.00 0.00 64.86 65.17 1u96 h ILE 37 Cb 0.09 1.66 0.00 0.00 -0.74 0.00 0.00 36.82 37.83 1u96 h ILE 37 CO -0.14 0.18 -0.05 0.25 0.00 0.00 0.00 178.15 178.39 1u96 h LEU 38 N 0.00 -0.13 0.00 1.44 7.12 0.59 -2.51 115.31 121.82 1u96 h LEU 38 Ca -0.00 -0.42 -0.01 0.00 0.13 0.00 0.00 57.88 57.58 1u96 h LEU 38 Cb 0.64 0.03 -0.00 0.00 -0.53 0.00 0.00 40.66 40.80 1u96 h LEU 38 CO 0.02 0.40 -0.08 -0.26 -0.13 0.00 0.00 178.44 178.40 1u96 h PHE 39 N -0.71 0.00 0.16 1.25 0.04 -1.35 -3.41 116.94 112.92 1u96 h PHE 39 Ca -0.02 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 1u96 h PHE 39 Cb 0.54 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.69 1u96 h PHE 39 CO 0.09 0.56 -0.08 -0.91 -0.60 0.00 0.00 178.31 177.37 1u96 h ASN 40 N -1.00 -0.18 -4.07 2.17 2.35 -1.08 -3.51 115.58 110.26 1u96 h ASN 40 Ca -0.02 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.74 1u96 h ASN 40 Cb 0.57 0.05 0.00 0.00 0.05 0.00 0.00 38.32 38.98 1u96 h ASN 40 CO -0.01 0.09 0.00 0.61 -1.65 0.00 0.00 177.43 176.47 1u96 n GLY 41 N 1.01 1.15 0.33 2.83 0.00 -0.95 -4.73 105.19 104.83 1u96 n GLY 41 Ca -0.03 -1.97 0.22 0.00 0.00 0.00 0.00 46.02 44.25 1u96 n GLY 41 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1u96 h GLN 42 N 0.00 0.00 0.00 1.61 5.75 -1.90 -3.37 115.11 117.19 1u96 h GLN 42 Ca 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1u96 h GLN 42 Cb 0.00 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.55 1u96 h GLN 42 CO 0.00 0.00 0.00 -0.25 -2.65 0.00 0.00 178.83 175.93 1u96 n ASP 43 N -3.09 0.00 0.00 -0.69 8.00 -1.26 -4.47 116.55 115.04 1u96 n ASP 43 Ca -0.02 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.48 1u96 n ASP 43 Cb 0.12 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.22 1u96 n ASP 43 CO 0.00 0.00 0.00 -0.24 -0.39 0.00 0.00 177.20 176.57 1u96 n SER 44 N -0.27 0.00 -2.32 -2.24 2.88 -1.26 -1.62 113.62 108.78 1u96 n SER 44 Ca 0.00 0.00 -0.30 0.00 -1.33 0.00 0.00 58.87 57.24 1u96 n SER 44 Cb 0.00 0.00 0.04 0.00 -0.75 0.00 0.00 64.21 63.50 1u96 n SER 44 CO 0.00 0.00 0.00 1.21 -1.23 0.00 0.00 175.04 175.02 1u96 n GLU 45 N 0.00 3.16 -2.80 -1.46 4.07 -1.26 -4.96 120.64 117.39 1u96 n GLU 45 Ca 0.00 -3.84 -0.04 0.00 -0.06 0.00 0.00 57.16 53.22 1u96 n GLU 45 Cb 0.00 -2.28 0.00 0.00 -0.06 0.00 0.00 31.44 29.11 1u96 n GLU 45 CO 0.00 0.00 0.00 1.63 -0.06 0.00 0.00 177.13 178.70 1u96 n LYS 46 N -0.72 -2.97 -0.28 5.31 4.76 -0.64 -4.94 118.16 118.68 1u96 n LYS 46 Ca 0.51 2.47 0.09 0.00 -2.87 0.00 0.00 58.31 58.51 1u96 n LYS 46 Cb 0.71 -5.32 0.25 0.00 -1.84 0.00 0.00 35.03 28.83 1u96 n LYS 46 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1u96 n LYS 48 N 1.18 0.25 -0.23 0.00 2.85 -1.26 -3.46 118.16 117.48 1u96 n LYS 48 Ca 0.19 0.07 -0.02 0.00 -1.05 0.00 0.00 58.31 57.50 1u96 n LYS 48 Cb 0.54 -1.50 0.09 0.00 -0.65 0.00 0.00 35.03 33.51 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 0.69 -0.19 -1.58 4.22 -1.98 -1.02 114.58 114.73 1u96 h GLU 49 Ca 0.00 -0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.34 1u96 h GLU 49 Cb 0.28 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1u96 h GLU 49 CO 0.00 0.46 -0.15 0.74 -2.18 0.00 0.00 179.01 177.88 1u96 h PHE 50 N 0.72 0.32 0.28 0.92 -1.00 -1.92 -1.94 116.94 114.32 1u96 h PHE 50 Ca 0.29 -0.04 -0.01 0.00 2.81 0.00 0.00 57.97 61.02 1u96 h PHE 50 Cb 0.15 -0.09 0.00 0.00 3.61 0.00 0.00 35.95 39.63 1u96 h PHE 50 CO -0.07 0.45 -0.14 0.82 -1.61 0.00 0.00 178.31 177.76 1u96 h ILE 51 N 0.29 0.76 -0.49 -0.55 2.04 -1.41 -0.23 117.51 117.92 1u96 h ILE 51 Ca 0.05 -0.42 0.01 0.00 1.00 0.00 0.00 64.86 65.50 1u96 h ILE 51 Cb 0.44 0.99 -0.03 0.00 -0.74 0.00 0.00 36.82 37.48 1u96 h ILE 51 CO 0.03 0.09 0.31 -0.33 0.00 0.00 0.00 178.15 178.25 1u96 h GLU 52 N -0.61 0.62 -0.62 2.37 5.08 -1.26 -1.94 114.58 118.22 1u96 h GLU 52 Ca -0.04 -0.04 -0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1u96 h GLU 52 Cb 0.44 -0.14 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 1u96 h GLU 52 CO 0.06 0.41 0.29 0.87 -1.00 0.00 0.00 179.01 179.65 1u96 h LYS 53 N 0.64 0.88 0.73 2.33 1.79 -1.33 0.02 116.57 121.63 1u96 h LYS 53 Ca 0.18 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.50 1u96 h LYS 53 Cb -0.05 -0.17 0.01 0.00 -1.58 0.00 0.00 32.23 30.44 1u96 h LYS 53 CO -0.05 0.69 -0.35 -0.92 -1.08 0.00 0.00 179.45 177.74 1u96 h TYR 54 N 0.88 -0.91 -0.61 -1.35 3.20 -0.44 -1.09 116.97 116.65 1u96 h TYR 54 Ca 0.22 -0.02 0.08 0.00 3.14 0.00 0.00 58.73 62.15 1u96 h TYR 54 Cb 0.10 0.30 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 1u96 h TYR 54 CO 0.01 -0.56 0.40 0.87 -1.64 0.00 0.00 178.16 177.24 1u96 h LYS 55 N -1.07 0.49 -0.36 1.82 1.57 -1.32 0.15 116.57 117.84 1u96 h LYS 55 Ca -0.10 -0.03 -0.02 0.00 -1.87 0.00 0.00 60.65 58.63 1u96 h LYS 55 Cb 0.75 -0.11 -0.02 0.00 0.08 0.00 0.00 32.23 32.93 1u96 h LYS 55 CO 0.16 0.32 0.16 1.49 -0.57 0.00 0.00 179.45 181.02 1u96 h GLU 56 N 0.50 0.53 -0.00 3.15 4.81 -0.84 0.14 114.58 122.87 1u96 h GLU 56 Ca 0.27 -0.09 0.00 0.00 -0.13 0.00 0.00 59.36 59.42 1u96 h GLU 56 Cb 0.42 -0.09 0.00 0.00 0.63 0.00 0.00 28.75 29.70 1u96 h GLU 56 CO -0.08 0.49 -0.22 0.00 -0.73 0.00 0.00 179.01 178.47 1u96 n MET 58 N -1.43 0.60 0.07 0.00 2.81 0.45 -3.87 117.12 115.75 1u96 n MET 58 Ca 0.07 -0.08 0.12 0.00 -1.81 0.00 0.00 57.70 56.00 1u96 n MET 58 Cb 0.33 -1.44 0.05 0.00 -0.71 0.00 0.00 33.22 31.45 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 -1.77 0.44 -0.00 0.03 2.85 0.46 -1.21 118.16 118.95 1u96 n LYS 59 Ca 0.01 0.07 0.10 0.00 -1.05 0.00 0.00 58.31 57.43 1u96 n LYS 59 Cb 0.40 -1.72 -0.12 0.00 -0.65 0.00 0.00 35.03 32.94 1u96 n LYS 59 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1u96 n GLY 60 N 1.27 -0.92 0.11 2.58 0.00 -1.24 -4.40 105.19 102.59 1u96 n GLY 60 Ca 0.01 -0.57 -0.12 0.00 0.00 0.00 0.00 46.02 45.34 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 -1.55 0.03 0.00 1.61 9.36 -1.25 -5.04 117.16 120.32 1u96 n TYR 61 Ca 0.03 0.01 0.00 0.00 3.32 0.00 0.00 57.90 61.26 1u96 n TYR 61 Cb 0.34 -1.00 0.00 0.00 -0.63 0.00 0.00 39.34 38.04 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 1.90 0.64 2.72 2.98 0.00 -1.19 -5.11 105.19 107.14 1u96 n GLY 62 Ca -0.37 -0.69 -0.20 0.00 0.00 0.00 0.00 46.02 44.76 1u96 n GLY 62 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1u96 s PHE 63 N -0.12 -0.07 0.04 1.61 5.36 -0.35 -5.04 117.98 119.41 1u96 s PHE 63 Ca 0.00 0.17 -0.30 0.00 -0.96 0.00 0.00 56.93 55.84 1u96 s PHE 63 Cb 0.00 -0.45 -0.04 0.00 -0.34 0.00 0.00 43.02 42.19 1u96 s PHE 63 CO 0.00 -0.44 1.08 -1.83 -1.46 0.00 0.00 175.22 172.57 1u96 s GLU 64 N 2.24 4.51 0.33 10.12 -1.05 -1.26 -4.60 118.70 129.00 1u96 s GLU 64 Ca 0.04 1.59 0.10 0.00 -0.15 0.00 0.00 54.97 56.55 1u96 s GLU 64 Cb -0.14 -3.40 -0.06 0.00 -0.44 0.00 0.00 34.13 30.09 1u96 s GLU 64 CO -0.08 -0.12 -0.07 0.14 0.95 0.00 0.00 175.26 176.07 1u96 s VAL 65 N 0.92 2.43 0.41 1.83 -7.23 -1.26 -4.35 120.40 113.16 1u96 s VAL 65 Ca 0.55 -2.15 0.21 0.00 -1.81 0.00 0.00 61.98 58.77 1u96 s VAL 65 Cb -0.25 -2.65 0.23 0.00 0.56 0.00 0.00 36.38 34.27 1u96 s VAL 65 CO 0.29 -0.23 2.00 -0.65 -0.31 0.00 0.00 175.10 176.20 1u96 h PRO 66 N 1.99 0.00 -6.47 4.82 0.11 -1.88 -3.43 132.00 127.13 1u96 h PRO 66 Ca -0.42 0.00 -0.53 0.00 0.11 0.00 0.00 66.00 65.16 1u96 h PRO 66 Cb 1.25 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.35 1u96 h PRO 66 CO 0.68 0.18 0.42 -1.54 -0.21 0.00 0.00 178.00 177.53 1u96 s SER 67 N -6.51 7.32 -0.38 -2.05 1.04 -1.26 -5.02 113.70 106.83 1u96 s SER 67 Ca -0.03 1.80 0.01 0.00 0.48 0.00 0.00 55.95 58.21 1u96 s SER 67 Cb 0.14 -2.58 0.11 0.00 0.10 0.00 0.00 66.02 63.79 1u96 s SER 67 CO 0.64 -0.27 0.13 0.00 0.98 0.00 0.00 173.24 174.72 1u96 s ALA 68 N 0.75 3.04 -2.81 5.32 0.00 -1.26 -5.15 121.76 121.65 1u96 s ALA 68 Ca 0.52 -2.59 0.25 0.00 0.00 0.00 0.00 51.96 50.15 1u96 s ALA 68 Cb -0.24 -2.18 0.51 0.00 0.00 0.00 0.00 23.12 21.21 1u96 s ALA 68 CO 0.29 -1.76 1.44 0.09 0.00 0.00 0.00 175.76 175.82