#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g91 n ASP 2 N 0.00 -7.06 -4.69 6.12 8.00 -1.26 -4.96 116.55 112.70 1g91 n ASP 2 Ca 0.00 -0.28 -0.29 0.00 0.71 0.00 0.00 54.79 54.94 1g91 n ASP 2 Cb 0.00 -4.39 0.16 0.00 -0.02 0.00 0.00 41.12 36.87 1g91 n ASP 2 CO 0.00 0.00 0.00 -0.60 -0.39 0.00 0.00 177.20 176.21 1g91 s ARG 3 N -3.46 0.70 -0.05 -1.24 6.06 -1.26 -5.01 118.95 114.69 1g91 s ARG 3 Ca 0.01 0.34 -0.17 0.00 -2.50 0.00 0.00 55.73 53.40 1g91 s ARG 3 Cb -0.00 -1.78 -0.05 0.00 0.06 0.00 0.00 34.95 33.17 1g91 s ARG 3 CO 0.79 -2.50 0.47 -0.06 -2.50 0.00 0.00 175.30 171.49 1g91 s PHE 4 N -3.16 3.63 0.00 5.12 0.40 -1.26 -4.92 117.98 117.79 1g91 s PHE 4 Ca 0.65 0.98 0.00 0.00 -0.60 0.00 0.00 56.93 57.96 1g91 s PHE 4 Cb -0.16 -2.45 0.00 0.00 0.51 0.00 0.00 43.02 40.92 1g91 s PHE 4 CO 0.55 0.40 0.00 -2.39 0.70 0.00 0.00 175.22 174.48 1g91 n HIS 5 N 2.73 0.00 -2.78 0.36 1.44 -1.26 -5.14 115.22 110.57 1g91 n HIS 5 Ca -0.10 0.00 0.05 0.00 -2.01 0.00 0.00 57.72 55.66 1g91 n HIS 5 Cb 0.52 0.02 -0.01 0.00 0.12 0.00 0.00 29.99 30.64 1g91 n HIS 5 CO 0.00 0.00 0.00 0.00 -2.81 0.00 0.00 176.34 173.53 1g91 n ALA 6 N -1.91 -1.04 -2.59 1.59 0.00 -1.26 -3.80 120.51 111.51 1g91 n ALA 6 Ca 0.00 0.10 -0.42 0.00 0.00 0.00 0.00 53.44 53.12 1g91 n ALA 6 Cb 0.17 -0.34 -0.01 0.00 0.00 0.00 0.00 19.45 19.27 1g91 n ALA 6 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 1g91 s THR 7 N -0.60 4.08 -0.99 0.00 -4.23 -1.26 -4.74 115.64 107.90 1g91 s THR 7 Ca 0.00 -1.46 0.21 0.00 -1.18 0.00 0.00 61.69 59.26 1g91 s THR 7 Cb 0.00 -5.12 0.17 0.00 1.34 0.00 0.00 72.50 68.89 1g91 s THR 7 CO 0.00 -1.97 1.67 -1.20 -0.54 0.00 0.00 174.62 172.58 1g91 n SER 8 N 8.48 0.01 -4.62 3.99 7.64 -1.25 -4.71 113.62 123.16 1g91 n SER 8 Ca 0.41 0.50 -0.43 0.00 1.01 0.00 0.00 58.87 60.37 1g91 n SER 8 Cb 0.48 -0.50 -0.03 0.00 -1.01 0.00 0.00 64.21 63.15 1g91 n SER 8 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g91 s ALA 9 N -3.00 3.08 -0.30 -0.43 0.00 -1.26 -4.92 121.76 114.92 1g91 s ALA 9 Ca 0.10 0.63 -0.08 0.00 0.00 0.00 0.00 51.96 52.61 1g91 s ALA 9 Cb 0.14 -3.95 0.15 0.00 0.00 0.00 0.00 23.12 19.45 1g91 s ALA 9 CO 0.38 -2.28 0.66 0.34 0.00 0.00 0.00 175.76 174.87 1g91 s ASP 10 N 5.78 -1.16 0.45 0.00 -1.08 -1.26 -5.07 116.67 114.32 1g91 s ASP 10 Ca 0.84 1.37 -0.02 0.00 -0.52 0.00 0.00 52.55 54.21 1g91 s ASP 10 Cb -0.29 2.23 -0.02 0.00 -1.46 0.00 0.00 42.92 43.38 1g91 s ASP 10 CO 0.34 -0.22 0.70 0.00 0.52 0.00 0.00 175.17 176.51 1g91 n ILE 13 N 3.38 0.10 -3.64 0.00 3.06 -1.26 -4.68 119.36 116.32 1g91 n ILE 13 Ca -0.17 -0.11 -0.10 0.00 -2.50 0.00 0.00 62.75 59.87 1g91 n ILE 13 Cb 0.52 0.31 -0.07 0.00 0.54 0.00 0.00 39.64 40.94 1g91 n ILE 13 CO 0.00 0.00 0.00 -0.55 -2.50 0.00 0.00 176.55 173.50 1g91 s SER 14 N -3.45 -0.68 0.56 9.51 0.15 -1.26 -5.11 113.70 113.42 1g91 s SER 14 Ca 0.07 1.22 0.05 0.00 0.70 0.00 0.00 55.95 57.99 1g91 s SER 14 Cb 0.16 1.25 0.06 0.00 -1.71 0.00 0.00 66.02 65.78 1g91 s SER 14 CO 0.76 -0.20 0.78 -0.31 1.20 0.00 0.00 173.24 175.47 1g91 s TYR 15 N 0.73 2.18 -0.20 3.44 2.02 -1.26 -4.73 117.35 119.53 1g91 s TYR 15 Ca -0.02 -0.36 -0.24 0.00 -0.37 0.00 0.00 57.07 56.08 1g91 s TYR 15 Cb -0.05 -2.57 -0.01 0.00 -0.40 0.00 0.00 41.96 38.93 1g91 s TYR 15 CO -0.08 -1.02 0.81 -0.08 -1.57 0.00 0.00 175.55 173.61 1g91 s THR 16 N -2.72 4.88 -1.32 -0.71 -1.32 -1.03 -4.95 115.64 108.46 1g91 s THR 16 Ca 0.60 1.56 -0.16 0.00 -1.21 0.00 0.00 61.69 62.47 1g91 s THR 16 Cb -0.08 -4.11 0.01 0.00 -1.51 0.00 0.00 72.50 66.82 1g91 s THR 16 CO 0.39 -0.01 2.08 -0.81 -2.21 0.00 0.00 174.62 174.06 1g91 n PRO 17 N 5.53 2.68 -3.69 7.08 -0.04 -1.26 -4.86 135.00 140.44 1g91 n PRO 17 Ca 0.04 -2.62 -0.10 0.00 -0.04 0.00 0.00 63.50 60.78 1g91 n PRO 17 Cb 0.48 -3.30 -0.04 0.00 -0.04 0.00 0.00 33.50 30.61 1g91 n PRO 17 CO 0.00 0.00 0.00 1.03 -0.04 0.00 0.00 175.50 176.49 1g91 s ARG 18 N 3.77 1.30 -0.30 0.54 0.52 -1.26 -5.13 118.95 118.39 1g91 s ARG 18 Ca 0.51 -0.80 -0.17 0.00 -0.52 0.00 0.00 55.73 54.74 1g91 s ARG 18 Cb 0.12 0.51 -0.02 0.00 0.52 0.00 0.00 34.95 36.08 1g91 s ARG 18 CO -0.02 -0.54 0.48 -1.54 0.02 0.00 0.00 175.30 173.70 1g91 s SER 19 N -2.85 6.34 -0.21 0.23 1.04 -1.26 -5.05 113.70 111.95 1g91 s SER 19 Ca 0.07 0.25 -0.06 0.00 0.48 0.00 0.00 55.95 56.70 1g91 s SER 19 Cb -0.00 -2.26 -0.03 0.00 0.10 0.00 0.00 66.02 63.83 1g91 s SER 19 CO -0.06 -0.34 0.02 -0.63 0.98 0.00 0.00 173.24 173.21 1g91 s ILE 20 N 2.28 4.06 0.23 -1.02 1.01 -1.26 -5.08 121.20 121.42 1g91 s ILE 20 Ca 0.19 -0.27 -0.30 0.00 0.00 0.00 0.00 60.65 60.27 1g91 s ILE 20 Cb -0.16 -2.85 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 1g91 s ILE 20 CO 0.11 0.42 0.99 -2.16 0.00 0.00 0.00 174.94 174.29 1g91 s PRO 21 N 1.06 4.78 0.51 2.79 0.04 -1.26 -4.92 135.00 138.00 1g91 s PRO 21 Ca 0.03 1.57 0.27 0.00 0.04 0.00 0.00 61.00 62.91 1g91 s PRO 21 Cb -0.14 -3.27 1.38 0.00 0.04 0.00 0.00 34.50 32.50 1g91 s PRO 21 CO 0.02 0.39 1.90 0.00 0.04 0.00 0.00 177.00 179.35 1g91 n SER 23 N -4.34 0.17 -1.02 0.00 7.64 -1.26 -1.14 113.62 113.66 1g91 n SER 23 Ca 0.17 0.56 0.08 0.00 1.01 0.00 0.00 58.87 60.69 1g91 n SER 23 Cb 0.85 -0.59 0.24 0.00 -1.01 0.00 0.00 64.21 63.70 1g91 n SER 23 CO 0.00 0.00 0.00 0.18 -3.01 0.00 0.00 175.04 172.21 1g91 n LEU 24 N -1.70 3.61 -4.09 -3.43 7.99 0.34 -4.91 117.00 114.80 1g91 n LEU 24 Ca 0.02 -2.16 -0.28 0.00 -0.01 0.00 0.00 56.01 53.57 1g91 n LEU 24 Cb 0.11 -0.39 -0.17 0.00 -0.11 0.00 0.00 43.42 42.86 1g91 n LEU 24 CO 0.10 0.81 -0.50 -0.76 -1.51 0.00 0.00 177.39 175.53 1g91 s LEU 25 N -1.30 1.81 -0.14 2.23 1.43 -0.29 -4.25 118.68 118.17 1g91 s LEU 25 Ca 0.37 -0.42 0.08 0.00 -1.03 0.00 0.00 54.13 53.12 1g91 s LEU 25 Cb 0.21 -1.09 -0.23 0.00 0.03 0.00 0.00 46.19 45.11 1g91 s LEU 25 CO 0.22 0.06 0.28 1.21 0.23 0.00 0.00 176.35 178.35 1g91 n GLU 26 N 3.87 0.68 -3.35 1.70 2.13 -0.23 -4.91 120.64 120.53 1g91 n GLU 26 Ca -0.20 0.18 -0.08 0.00 0.66 0.00 0.00 57.16 57.72 1g91 n GLU 26 Cb 0.52 -1.65 0.02 0.00 0.27 0.00 0.00 31.44 30.60 1g91 n GLU 26 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1g91 n SER 27 N -3.11 -1.90 -3.53 4.31 3.41 -1.19 -5.00 113.62 106.61 1g91 n SER 27 Ca -0.30 -2.35 -0.08 0.00 -0.26 0.00 0.00 58.87 55.88 1g91 n SER 27 Cb 1.07 3.18 -0.02 0.00 -0.26 0.00 0.00 64.21 68.18 1g91 n SER 27 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1g91 s TYR 28 N -3.24 -0.33 0.21 7.33 1.13 -1.26 -1.79 117.35 119.39 1g91 s TYR 28 Ca 0.14 0.17 -0.14 0.00 -1.41 0.00 0.00 57.07 55.83 1g91 s TYR 28 Cb -0.04 0.55 0.01 0.00 -1.10 0.00 0.00 41.96 41.38 1g91 s TYR 28 CO 0.10 -0.61 0.46 -0.59 -2.51 0.00 0.00 175.55 172.40 1g91 s PHE 29 N -3.21 0.16 -0.06 -3.49 -0.71 -0.87 -4.98 117.98 104.82 1g91 s PHE 29 Ca 0.06 -0.52 -0.08 0.00 -1.04 0.00 0.00 56.93 55.34 1g91 s PHE 29 Cb -0.01 0.24 -0.04 0.00 -1.21 0.00 0.00 43.02 41.99 1g91 s PHE 29 CO -0.08 -0.92 0.22 -1.21 -1.34 0.00 0.00 175.22 171.90 1g91 s GLU 30 N -3.95 3.56 0.89 1.99 2.02 -1.26 -1.06 118.70 120.89 1g91 s GLU 30 Ca 0.16 -0.02 -0.13 0.00 0.02 0.00 0.00 54.97 54.99 1g91 s GLU 30 Cb -0.00 -3.17 0.20 0.00 0.10 0.00 0.00 34.13 31.26 1g91 s GLU 30 CO 0.02 0.73 1.21 0.25 0.02 0.00 0.00 175.26 177.49 1g91 n THR 31 N 1.70 0.00 -1.67 3.63 -2.24 -1.03 -4.91 114.28 109.76 1g91 n THR 31 Ca -0.16 -1.02 -0.42 0.00 -2.27 0.00 0.00 64.05 60.18 1g91 n THR 31 Cb 0.54 -1.44 -0.03 0.00 -2.10 0.00 0.00 70.33 67.30 1g91 n THR 31 CO 0.00 0.00 0.00 0.20 -0.57 0.00 0.00 175.07 174.70 1g91 s ASN 32 N -5.49 5.33 0.23 3.42 0.01 -1.26 -4.78 114.94 112.39 1g91 s ASN 32 Ca 0.70 1.60 0.21 0.00 -0.71 0.00 0.00 52.86 54.67 1g91 s ASN 32 Cb -0.02 -2.51 0.94 0.00 0.41 0.00 0.00 41.25 40.07 1g91 s ASN 32 CO 0.49 -2.11 1.65 -1.20 -1.51 0.00 0.00 177.10 174.42 1g91 n SER 33 N 12.29 0.55 0.05 -1.22 7.64 -1.26 -2.06 113.62 129.61 1g91 n SER 33 Ca 0.30 0.66 0.07 0.00 1.01 0.00 0.00 58.87 60.90 1g91 n SER 33 Cb 0.47 -0.77 0.30 0.00 -1.01 0.00 0.00 64.21 63.21 1g91 n SER 33 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 n GLU 34 N -2.13 0.06 -1.83 1.43 1.02 -1.26 -4.70 120.64 113.23 1g91 n GLU 34 Ca 0.02 0.40 -0.29 0.00 -0.02 0.00 0.00 57.16 57.26 1g91 n GLU 34 Cb 0.19 -1.63 0.14 0.00 -0.02 0.00 0.00 31.44 30.11 1g91 n GLU 34 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1g91 h SER 36 N -1.40 0.79 -3.97 0.00 0.02 -1.89 -3.40 113.55 103.70 1g91 h SER 36 Ca -0.46 -0.93 -0.64 0.00 -0.84 0.00 0.00 61.79 58.92 1g91 h SER 36 Cb 1.29 -0.26 -0.40 0.00 0.14 0.00 0.00 62.40 63.17 1g91 h SER 36 CO 0.54 1.66 -0.56 -0.54 -1.14 0.00 0.00 176.83 176.79 1g91 s LYS 37 N -2.57 2.23 1.01 3.45 1.02 -1.26 -5.08 119.74 118.53 1g91 s LYS 37 Ca -0.10 -2.85 -0.17 0.00 0.02 0.00 0.00 55.97 52.87 1g91 s LYS 37 Cb 0.03 -3.42 0.22 0.00 -0.52 0.00 0.00 37.83 34.14 1g91 s LYS 37 CO 0.93 -1.17 1.29 -1.25 -0.92 0.00 0.00 175.35 174.23 1g91 s PRO 38 N -0.65 0.27 -0.08 -1.68 0.04 -1.26 -4.10 135.00 127.54 1g91 s PRO 38 Ca 0.20 -0.37 -0.31 0.00 0.04 0.00 0.00 61.00 60.56 1g91 s PRO 38 Cb -0.19 -1.80 0.11 0.00 0.04 0.00 0.00 34.50 32.66 1g91 s PRO 38 CO -0.05 -2.67 1.38 0.20 0.04 0.00 0.00 177.00 175.89 1g91 s GLY 39 N -4.73 -0.28 -0.11 0.56 0.00 -1.26 -4.87 107.32 96.63 1g91 s GLY 39 Ca 0.74 0.34 -0.02 0.00 0.00 0.00 0.00 44.72 45.78 1g91 s GLY 39 CO 0.54 5.14 -0.03 0.14 0.00 0.00 0.00 173.10 178.88 1g91 s VAL 40 N -2.02 4.03 -0.09 1.40 1.01 -1.06 -2.46 120.40 121.21 1g91 s VAL 40 Ca 0.28 -0.34 -0.11 0.00 0.00 0.00 0.00 61.98 61.81 1g91 s VAL 40 Cb 0.02 -2.71 -0.05 0.00 0.00 0.00 0.00 36.38 33.64 1g91 s VAL 40 CO -0.04 0.56 0.26 -0.63 0.00 0.00 0.00 175.10 175.25 1g91 s ILE 41 N -0.38 5.31 -0.14 2.22 1.01 -0.22 0.03 121.20 129.03 1g91 s ILE 41 Ca 0.06 0.48 0.01 0.00 0.00 0.00 0.00 60.65 61.21 1g91 s ILE 41 Cb -0.12 -3.55 -0.00 0.00 0.01 0.00 0.00 42.46 38.79 1g91 s ILE 41 CO 0.02 0.56 -0.17 -0.36 0.00 0.00 0.00 174.94 175.00 1g91 s PHE 42 N -0.73 2.74 -0.35 3.97 0.08 0.11 -2.05 117.98 121.76 1g91 s PHE 42 Ca 0.18 -0.94 -0.11 0.00 0.12 0.00 0.00 56.93 56.18 1g91 s PHE 42 Cb -0.14 -1.84 0.01 0.00 -0.57 0.00 0.00 43.02 40.48 1g91 s PHE 42 CO 0.07 -0.39 0.20 -1.17 -0.10 0.00 0.00 175.22 173.83 1g91 s LEU 43 N 0.59 4.49 0.46 -0.37 1.98 -0.74 -2.15 118.68 122.95 1g91 s LEU 43 Ca -0.10 -0.70 -0.12 0.00 -2.89 0.00 0.00 54.13 50.32 1g91 s LEU 43 Cb -0.16 -2.05 -0.07 0.00 0.66 0.00 0.00 46.19 44.57 1g91 s LEU 43 CO 0.03 -0.29 0.86 0.42 -1.89 0.00 0.00 176.35 175.49 1g91 s THR 44 N 1.62 4.70 -1.56 3.68 -4.23 0.10 -1.07 115.64 118.89 1g91 s THR 44 Ca 0.04 0.83 0.17 0.00 -1.18 0.00 0.00 61.69 61.55 1g91 s THR 44 Cb -0.18 -3.74 0.34 0.00 1.34 0.00 0.00 72.50 70.26 1g91 s THR 44 CO 0.08 -0.64 1.49 1.17 -0.54 0.00 0.00 174.62 176.18 1g91 n LYS 45 N -1.55 0.31 -0.54 3.99 4.81 -1.26 -2.43 118.16 121.49 1g91 n LYS 45 Ca 0.04 0.10 0.03 0.00 -0.87 0.00 0.00 58.31 57.61 1g91 n LYS 45 Cb 0.54 -1.50 0.23 0.00 0.02 0.00 0.00 35.03 34.32 1g91 n LYS 45 CO 0.00 0.00 0.00 1.63 1.17 0.00 0.00 177.40 180.20 1g91 n LYS 46 N -1.22 3.17 -3.07 1.64 4.01 -1.26 -4.87 118.16 116.56 1g91 n LYS 46 Ca 0.09 -1.83 -0.13 0.00 -0.51 0.00 0.00 58.31 55.93 1g91 n LYS 46 Cb 0.12 -1.93 0.06 0.00 -0.51 0.00 0.00 35.03 32.77 1g91 n LYS 46 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1g91 n GLY 47 N 0.31 -0.12 3.00 0.72 0.00 -1.02 -5.03 105.19 103.05 1g91 n GLY 47 Ca 0.17 -0.06 -0.12 0.00 0.00 0.00 0.00 46.02 46.02 1g91 n GLY 47 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g91 s ARG 48 N -5.20 0.37 -0.00 1.61 0.52 -1.23 -4.99 118.95 110.04 1g91 s ARG 48 Ca 0.10 -0.55 -0.01 0.00 -0.52 0.00 0.00 55.73 54.75 1g91 s ARG 48 Cb -0.05 -0.12 -0.00 0.00 0.52 0.00 0.00 34.95 35.30 1g91 s ARG 48 CO 0.51 0.01 0.02 -0.98 0.02 0.00 0.00 175.30 174.89 1g91 s ARG 49 N -1.18 0.18 0.10 3.54 3.03 -1.26 0.02 118.95 123.37 1g91 s ARG 49 Ca -0.10 -0.22 -0.22 0.00 2.03 0.00 0.00 55.73 57.22 1g91 s ARG 49 Cb -0.08 0.07 0.06 0.00 -1.03 0.00 0.00 34.95 33.97 1g91 s ARG 49 CO -0.00 -0.03 0.55 -0.59 -1.13 0.00 0.00 175.30 174.09 1g91 s PHE 50 N -0.63 -0.45 0.43 5.89 -0.12 -0.91 -4.94 117.98 117.25 1g91 s PHE 50 Ca -0.07 0.38 -0.02 0.00 -0.05 0.00 0.00 56.93 57.16 1g91 s PHE 50 Cb -0.04 0.42 -0.03 0.00 -0.63 0.00 0.00 43.02 42.74 1g91 s PHE 50 CO -0.00 -0.73 0.68 0.00 -0.05 0.00 0.00 175.22 175.12 1g91 s ALA 52 N -2.57 0.13 0.13 0.00 0.00 0.10 -2.46 121.76 117.10 1g91 s ALA 52 Ca 0.45 -0.67 -0.31 0.00 0.00 0.00 0.00 51.96 51.43 1g91 s ALA 52 Cb -0.10 0.19 -0.09 0.00 0.00 0.00 0.00 23.12 23.12 1g91 s ALA 52 CO 0.40 -0.24 1.51 1.21 0.00 0.00 0.00 175.76 178.64 1g91 s ASN 53 N -1.87 6.68 0.00 0.00 3.84 -1.26 -2.56 114.94 119.77 1g91 s ASN 53 Ca -0.09 2.49 0.25 0.00 0.21 0.00 0.00 52.86 55.72 1g91 s ASN 53 Cb -0.05 -2.59 1.39 0.00 -0.55 0.00 0.00 41.25 39.46 1g91 s ASN 53 CO -0.03 -0.77 1.87 -0.81 -2.79 0.00 0.00 177.10 174.57 1g91 n PRO 54 N 4.16 0.56 0.00 0.43 -0.04 -1.26 -2.54 135.00 136.30 1g91 n PRO 54 Ca 0.13 0.03 0.11 0.00 -0.04 0.00 0.00 63.50 63.73 1g91 n PRO 54 Cb 0.40 -1.50 0.11 0.00 -0.04 0.00 0.00 33.50 32.47 1g91 n PRO 54 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1g91 n SER 55 N -1.15 1.30 -4.63 3.54 7.64 -1.26 -4.79 113.62 114.26 1g91 n SER 55 Ca 0.15 -1.04 -0.43 0.00 1.01 0.00 0.00 58.87 58.56 1g91 n SER 55 Cb 0.15 0.48 -0.02 0.00 -1.01 0.00 0.00 64.21 63.80 1g91 n SER 55 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1g91 s ASP 56 N -2.69 6.78 0.62 6.43 -1.08 -1.05 -4.86 116.67 120.82 1g91 s ASP 56 Ca 0.16 1.16 0.30 0.00 -0.52 0.00 0.00 52.55 53.65 1g91 s ASP 56 Cb 0.18 -2.54 1.59 0.00 -1.46 0.00 0.00 42.92 40.69 1g91 s ASP 56 CO 0.65 -1.00 1.95 0.11 0.52 0.00 0.00 175.17 177.40 1g91 h LYS 57 N 8.81 0.00 0.00 4.34 1.57 -1.90 0.53 116.57 129.92 1g91 h LYS 57 Ca -0.24 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 58.43 1g91 h LYS 57 Cb 1.08 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 33.38 1g91 h LYS 57 CO 1.03 0.00 -0.54 1.96 -0.57 0.00 0.00 179.45 181.33 1g91 h GLN 58 N 0.00 0.00 0.17 3.15 1.08 -1.95 -1.55 115.11 116.01 1g91 h GLN 58 Ca 0.10 0.00 -0.31 0.00 -1.45 0.00 0.00 58.65 56.99 1g91 h GLN 58 Cb 0.82 0.00 0.03 0.00 -0.05 0.00 0.00 27.48 28.28 1g91 h GLN 58 CO -0.00 0.54 -1.32 0.28 -0.95 0.00 0.00 178.83 177.38 1g91 h VAL 59 N 0.00 1.31 0.00 -0.54 2.07 -0.23 -2.49 116.25 116.37 1g91 h VAL 59 Ca -0.01 -2.62 -0.13 0.00 0.82 0.00 0.00 66.70 64.76 1g91 h VAL 59 Cb 1.12 2.84 -0.02 0.00 -1.52 0.00 0.00 31.29 33.70 1g91 h VAL 59 CO 0.07 0.79 -0.63 0.06 0.02 0.00 0.00 177.57 177.88 1g91 h GLN 60 N 0.21 0.00 -0.04 1.57 3.07 -1.45 -1.89 115.11 116.58 1g91 h GLN 60 Ca -0.20 0.00 -0.22 0.00 0.09 0.00 0.00 58.65 58.32 1g91 h GLN 60 Cb 2.00 0.00 0.00 0.00 0.08 0.00 0.00 27.48 29.57 1g91 h GLN 60 CO 0.25 0.63 -0.87 0.28 0.09 0.00 0.00 178.83 179.20 1g91 h VAL 61 N 0.00 1.37 -0.07 1.86 2.07 -1.32 -3.06 116.25 117.11 1g91 h VAL 61 Ca -0.01 -2.29 -0.22 0.00 0.82 0.00 0.00 66.70 65.00 1g91 h VAL 61 Cb 1.14 2.28 0.01 0.00 -1.52 0.00 0.00 31.29 33.20 1g91 h VAL 61 CO 0.08 0.69 -0.85 0.00 0.02 0.00 0.00 177.57 177.51 1g91 h MET 63 N 0.36 0.00 -0.05 0.00 -0.00 -1.37 -2.41 114.93 111.46 1g91 h MET 63 Ca -0.07 0.00 -0.02 0.00 -0.00 0.00 0.00 59.70 59.62 1g91 h MET 63 Cb 1.47 0.00 -0.00 0.00 -0.00 0.00 0.00 31.60 33.07 1g91 h MET 63 CO 0.16 0.00 -0.03 -0.09 -0.00 0.00 0.00 176.91 176.95 1g91 h ARG 64 N 0.00 0.11 -0.13 -0.10 1.12 -1.41 0.25 114.38 114.21 1g91 h ARG 64 Ca 0.00 -0.05 -0.05 0.00 -1.11 0.00 0.00 59.98 58.77 1g91 h ARG 64 Cb 0.22 -0.00 -0.00 0.00 -0.01 0.00 0.00 29.97 30.18 1g91 h ARG 64 CO 0.00 0.51 -0.13 1.98 -3.11 0.00 0.00 179.97 179.21 1g91 h MET 65 N -0.29 0.32 0.00 0.20 4.05 -1.58 -2.70 114.93 114.94 1g91 h MET 65 Ca 0.01 -0.17 0.00 0.00 -0.28 0.00 0.00 59.70 59.26 1g91 h MET 65 Cb 0.47 0.01 0.00 0.00 -0.80 0.00 0.00 31.60 31.28 1g91 h MET 65 CO 0.01 0.72 0.00 1.28 0.23 0.00 0.00 176.91 179.14 1g91 n LEU 66 N -4.58 0.00 -0.41 3.39 4.77 -0.94 -3.48 117.00 115.75 1g91 n LEU 66 Ca -0.06 0.29 0.39 0.00 -0.03 0.00 0.00 56.01 56.59 1g91 n LEU 66 Cb 0.35 -0.29 0.76 0.00 -2.33 0.00 0.00 43.42 41.92 1g91 n LEU 66 CO 0.39 -0.09 1.36 0.50 -1.33 0.00 0.00 177.39 178.22 1g91 h LYS 67 N 0.00 0.01 -5.90 3.23 3.11 -0.15 -3.36 116.57 113.51 1g91 h LYS 67 Ca 0.00 -0.00 -0.59 0.00 -2.81 0.00 0.00 60.65 57.25 1g91 h LYS 67 Cb 0.20 -0.00 -0.08 0.00 -1.00 0.00 0.00 32.23 31.35 1g91 h LYS 67 CO 0.00 0.01 0.53 -0.51 -2.81 0.00 0.00 179.45 176.67 1g91 s LEU 68 N -8.30 4.11 -1.15 5.20 1.43 -1.23 -4.97 118.68 113.78 1g91 s LEU 68 Ca -0.05 1.15 -0.17 0.00 -1.03 0.00 0.00 54.13 54.03 1g91 s LEU 68 Cb 0.24 -3.29 0.12 0.00 0.03 0.00 0.00 46.19 43.30 1g91 s LEU 68 CO 0.83 -0.52 1.45 -1.81 0.23 0.00 0.00 176.35 176.52 1g91 s ASP 69 N 1.26 6.85 -0.40 2.29 1.11 -1.26 -4.57 116.67 121.95 1g91 s ASP 69 Ca 0.38 -2.46 -0.16 0.00 0.18 0.00 0.00 52.55 50.49 1g91 s ASP 69 Cb -0.16 -2.47 0.02 0.00 1.07 0.00 0.00 42.92 41.39 1g91 s ASP 69 CO 0.08 -1.02 0.48 0.41 1.18 0.00 0.00 175.17 176.31 1g91 n THR 70 N 5.54-10.12 -3.65 -1.27 -1.04 -1.26 -5.04 114.28 97.44 1g91 n THR 70 Ca 0.37 0.95 -0.05 0.00 -2.04 0.00 0.00 64.05 63.28 1g91 n THR 70 Cb 0.46 -6.65 -0.06 0.00 -1.82 0.00 0.00 70.33 62.26 1g91 n THR 70 CO 0.00 0.00 0.00 -0.60 -0.64 0.00 0.00 175.07 173.83 1g91 s ARG 71 N -2.37 0.62 -0.56 -2.82 3.52 -1.26 -5.08 118.95 111.00 1g91 s ARG 71 Ca 0.22 1.28 0.07 0.00 -0.13 0.00 0.00 55.73 57.16 1g91 s ARG 71 Cb -0.05 0.43 0.29 0.00 -1.56 0.00 0.00 34.95 34.06 1g91 s ARG 71 CO 0.76 -0.18 0.79 0.44 -0.81 0.00 0.00 175.30 176.31 1g91 n ILE 72 N 4.81 1.97 -2.68 4.11 -5.35 -1.26 -4.81 119.36 116.15 1g91 n ILE 72 Ca -0.17 -5.13 -0.05 0.00 -0.27 0.00 0.00 62.75 57.13 1g91 n ILE 72 Cb 0.54 -1.64 0.06 0.00 -1.74 0.00 0.00 39.64 36.86 1g91 n ILE 72 CO 0.00 0.00 0.00 1.17 -1.76 0.00 0.00 176.55 175.96 1g91 n LYS 73 N 0.47 0.67 0.00 6.28 3.00 -1.26 -5.08 118.16 122.24 1g91 n LYS 73 Ca 0.29 -1.26 0.00 0.00 -0.00 0.00 0.00 58.31 57.34 1g91 n LYS 73 Cb 0.44 -0.09 0.00 0.00 0.00 0.00 0.00 35.03 35.39 1g91 n LYS 73 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.40 177.65 1g91 n THR 74 N -0.45 0.00 0.00 3.15 -2.24 -1.26 -5.09 114.28 108.40 1g91 n THR 74 Ca -0.14 0.15 0.00 0.00 -2.27 0.00 0.00 64.05 61.79 1g91 n THR 74 Cb 0.75 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 68.53 1g91 n THR 74 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1g91 n ARG 75 N 0.00 0.00 -0.19 -0.78 1.74 -1.26 -5.05 116.66 111.12 1g91 n ARG 75 Ca 0.00 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.08 1g91 n ARG 75 Cb 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.44 1g91 n ARG 75 CO 0.00 0.00 0.00 1.63 -1.52 0.00 0.00 177.63 177.74 1g91 n LYS 76 N -0.32 0.00 -0.24 5.56 5.02 -1.26 -5.30 118.16 121.62 1g91 n LYS 76 Ca 0.00 -0.62 0.00 0.00 -2.02 0.00 0.00 58.31 55.67 1g91 n LYS 76 Cb 0.00 -0.45 0.00 0.00 -0.02 0.00 0.00 35.03 34.56 1g91 n LYS 76 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17