#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 n PRO 10 N 0.00 -1.50 0.00 1.97 -0.02 -1.26 -4.97 135.00 129.22 1gm1 n PRO 10 Ca 0.00 -0.64 0.00 0.00 -2.02 0.00 0.00 63.50 60.84 1gm1 n PRO 10 Cb 0.00 -0.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.92 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1gm1 n GLY 11 N 0.31 0.89 0.15 -1.23 0.00 -1.26 -5.09 105.19 98.96 1gm1 n GLY 11 Ca 0.05 -0.47 -0.06 0.00 0.00 0.00 0.00 46.02 45.54 1gm1 n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gm1 h ASP 12 N 0.00 -0.33 -4.00 1.61 3.58 -1.95 -3.37 116.42 111.97 1gm1 h ASP 12 Ca 0.00 0.10 -0.69 0.00 0.42 0.00 0.00 57.03 56.86 1gm1 h ASP 12 Cb 0.00 0.22 -0.23 0.00 1.72 0.00 0.00 39.33 41.04 1gm1 h ASP 12 CO 0.00 -0.12 -0.86 0.42 -2.88 0.00 0.00 179.24 175.80 1gm1 s THR 13 N -6.21 2.32 -0.03 2.25 -4.23 -1.26 -0.43 115.64 108.05 1gm1 s THR 13 Ca -0.14 -1.60 -0.10 0.00 -1.18 0.00 0.00 61.69 58.67 1gm1 s THR 13 Cb 0.13 -2.00 0.01 0.00 1.34 0.00 0.00 72.50 71.99 1gm1 s THR 13 CO 0.70 0.18 0.22 0.72 -0.54 0.00 0.00 174.62 175.90 1gm1 s PHE 14 N -0.99 -0.12 -0.26 3.99 -0.12 -0.74 -4.96 117.98 114.78 1gm1 s PHE 14 Ca 0.14 0.22 -0.08 0.00 -0.05 0.00 0.00 56.93 57.15 1gm1 s PHE 14 Cb -0.10 0.04 -0.04 0.00 -0.63 0.00 0.00 43.02 42.29 1gm1 s PHE 14 CO 0.05 -0.27 0.11 -1.21 -0.05 0.00 0.00 175.22 173.85 1gm1 s GLU 15 N -0.92 3.76 -0.36 1.99 2.02 -1.26 -1.99 118.70 121.93 1gm1 s GLU 15 Ca -0.10 -0.42 -0.02 0.00 0.02 0.00 0.00 54.97 54.45 1gm1 s GLU 15 Cb -0.05 -3.42 0.09 0.00 0.10 0.00 0.00 34.13 30.84 1gm1 s GLU 15 CO 0.02 -0.16 0.12 0.08 0.02 0.00 0.00 175.26 175.34 1gm1 s VAL 16 N 1.60 3.13 -0.96 2.63 1.01 0.70 -5.00 120.40 123.50 1gm1 s VAL 16 Ca 0.06 -1.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.05 1gm1 s VAL 16 Cb -0.15 -3.03 0.14 0.00 0.00 0.00 0.00 36.38 33.34 1gm1 s VAL 16 CO 0.06 -0.47 1.15 -1.61 0.00 0.00 0.00 175.10 174.23 1gm1 s GLU 17 N 1.17 3.67 -0.19 2.72 2.02 -1.26 -0.46 118.70 126.37 1gm1 s GLU 17 Ca 0.04 -1.91 -0.09 0.00 0.02 0.00 0.00 54.97 53.02 1gm1 s GLU 17 Cb -0.21 -4.91 -0.05 0.00 0.10 0.00 0.00 34.13 29.06 1gm1 s GLU 17 CO -0.03 -1.75 0.11 -1.17 0.02 0.00 0.00 175.26 172.45 1gm1 s LEU 18 N 2.40 4.12 -0.20 1.80 2.96 0.07 -4.92 118.68 124.91 1gm1 s LEU 18 Ca 0.33 0.20 -0.08 0.00 -0.22 0.00 0.00 54.13 54.36 1gm1 s LEU 18 Cb -0.05 -2.06 -0.04 0.00 0.50 0.00 0.00 46.19 44.54 1gm1 s LEU 18 CO -0.08 0.19 0.09 0.00 -1.32 0.00 0.00 176.35 175.23 1gm1 s ALA 19 N 0.31 3.48 0.16 5.97 0.00 -1.26 0.69 121.76 131.11 1gm1 s ALA 19 Ca 0.07 -0.79 -0.30 0.00 0.00 0.00 0.00 51.96 50.93 1gm1 s ALA 19 Cb -0.11 -2.06 -0.08 0.00 0.00 0.00 0.00 23.12 20.87 1gm1 s ALA 19 CO -0.01 0.05 1.33 0.21 0.00 0.00 0.00 175.76 177.34 1gm1 s LYS 20 N 0.59 4.37 -0.30 0.00 2.20 -0.48 -4.77 119.74 121.35 1gm1 s LYS 20 Ca 0.05 2.04 -0.07 0.00 -0.36 0.00 0.00 55.97 57.63 1gm1 s LYS 20 Cb -0.13 -3.22 0.01 0.00 -1.51 0.00 0.00 37.83 32.98 1gm1 s LYS 20 CO 0.01 -0.31 0.10 0.95 -0.36 0.00 0.00 175.35 175.73 1gm1 s THR 21 N 0.50 4.10 -1.47 3.43 -4.23 -0.93 -4.66 115.64 112.37 1gm1 s THR 21 Ca 0.59 -0.64 -0.11 0.00 -1.18 0.00 0.00 61.69 60.34 1gm1 s THR 21 Cb -0.36 -3.11 0.06 0.00 1.34 0.00 0.00 72.50 70.42 1gm1 s THR 21 CO 0.35 0.07 0.99 -0.67 -0.54 0.00 0.00 174.62 174.82 1gm1 n ASP 22 N 4.89 -5.38 0.00 3.99 -0.08 -1.26 -1.29 116.55 117.42 1gm1 n ASP 22 Ca -0.14 -0.64 0.00 0.00 -1.51 0.00 0.00 54.79 52.49 1gm1 n ASP 22 Cb 0.48 -4.28 0.00 0.00 2.34 0.00 0.00 41.12 39.66 1gm1 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gm1 n GLY 23 N -1.75 0.77 3.23 0.27 0.00 -1.26 -5.02 105.19 101.43 1gm1 n GLY 23 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1gm1 s SER 24 N -2.55 2.85 -0.13 1.61 0.15 -0.41 -5.02 113.70 110.20 1gm1 s SER 24 Ca 0.00 -0.48 -0.11 0.00 0.70 0.00 0.00 55.95 56.06 1gm1 s SER 24 Cb 0.00 -0.85 -0.25 0.00 -1.71 0.00 0.00 66.02 63.21 1gm1 s SER 24 CO 0.00 0.21 0.36 -0.07 1.20 0.00 0.00 173.24 174.94 1gm1 h LEU 25 N 6.20 0.33 0.00 3.45 3.38 -1.94 -2.48 115.31 124.25 1gm1 h LEU 25 Ca -0.30 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 56.82 1gm1 h LEU 25 Cb 1.18 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1gm1 h LEU 25 CO 0.47 1.76 0.00 0.61 0.09 0.00 0.00 178.44 181.37 1gm1 n GLY 26 N 1.84 1.25 2.96 0.83 0.00 -1.26 0.33 105.19 111.14 1gm1 n GLY 26 Ca -0.31 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.46 1gm1 n GLY 26 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1gm1 s ILE 27 N -2.00 1.05 -0.07 -0.61 -4.36 -1.26 -0.94 121.20 113.01 1gm1 s ILE 27 Ca 0.00 -0.37 0.01 0.00 -0.26 0.00 0.00 60.65 60.02 1gm1 s ILE 27 Cb 0.00 -1.01 -0.03 0.00 1.25 0.00 0.00 42.46 42.67 1gm1 s ILE 27 CO 0.00 0.35 -0.06 -0.44 0.24 0.00 0.00 174.94 175.03 1gm1 s SER 28 N 1.13 4.69 0.42 4.36 0.01 -0.54 -4.98 113.70 118.79 1gm1 s SER 28 Ca -0.06 -0.01 0.07 0.00 1.31 0.00 0.00 55.95 57.26 1gm1 s SER 28 Cb -0.14 -1.20 -0.03 0.00 0.21 0.00 0.00 66.02 64.85 1gm1 s SER 28 CO -0.02 0.36 0.27 0.68 0.41 0.00 0.00 173.24 174.94 1gm1 s VAL 29 N -0.80 2.38 0.27 3.43 -7.23 -1.26 -0.68 120.40 116.52 1gm1 s VAL 29 Ca 0.12 -1.55 -0.10 0.00 -1.81 0.00 0.00 61.98 58.64 1gm1 s VAL 29 Cb -0.11 -2.93 -0.00 0.00 0.56 0.00 0.00 36.38 33.90 1gm1 s VAL 29 CO 0.01 0.00 0.48 0.28 -0.31 0.00 0.00 175.10 175.56 1gm1 s THR 30 N -2.57 0.00 0.00 5.32 -1.32 0.41 -4.54 115.64 112.94 1gm1 s THR 30 Ca 0.43 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.46 1gm1 s THR 30 Cb 0.01 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.65 1gm1 s THR 30 CO 0.24 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.26 1gm1 n GLY 31 N -0.42 0.91 3.55 6.08 0.00 -1.26 -0.68 105.19 113.37 1gm1 n GLY 31 Ca -0.01 -1.32 0.04 0.00 0.00 0.00 0.00 46.02 44.73 1gm1 n GLY 31 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 32 N 0.00 -1.90 0.00 -0.02 0.00 0.61 -3.52 105.19 100.35 1gm1 n GLY 32 Ca 0.00 -1.33 0.06 0.00 0.00 0.00 0.00 46.02 44.75 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gm1 n VAL 33 N -1.59 1.13 0.18 1.61 0.31 0.11 -1.64 118.33 118.46 1gm1 n VAL 33 Ca 0.00 0.28 0.06 0.00 -0.01 0.00 0.00 64.34 64.68 1gm1 n VAL 33 Cb 0.14 -1.08 0.25 0.00 -0.91 0.00 0.00 33.84 32.25 1gm1 n VAL 33 CO 0.00 0.00 0.00 -1.13 -1.32 0.00 0.00 176.83 174.38 1gm1 h ASN 34 N 0.00 0.00 -3.35 4.52 -1.24 -1.82 -3.45 115.58 110.23 1gm1 h ASN 34 Ca 0.00 0.00 -0.65 0.00 0.71 0.00 0.00 56.30 56.36 1gm1 h ASN 34 Cb 0.20 0.00 -0.16 0.00 0.73 0.00 0.00 38.32 39.09 1gm1 h ASN 34 CO 0.00 0.35 -0.77 -0.89 -1.29 0.00 0.00 177.43 174.84 1gm1 s THR 35 N -3.36 2.99 -1.57 -3.57 2.01 -0.65 -5.04 115.64 106.45 1gm1 s THR 35 Ca 0.02 -1.60 -0.10 0.00 0.31 0.00 0.00 61.69 60.33 1gm1 s THR 35 Cb 0.09 -2.43 -0.05 0.00 0.01 0.00 0.00 72.50 70.13 1gm1 s THR 35 CO 0.69 -0.01 2.82 -1.54 -0.69 0.00 0.00 174.62 175.89 1gm1 n SER 36 N 0.42 8.34 -2.42 3.53 3.41 -1.26 -4.60 113.62 121.03 1gm1 n SER 36 Ca -0.13 -2.68 -0.27 0.00 -0.26 0.00 0.00 58.87 55.53 1gm1 n SER 36 Cb 0.54 -1.53 -0.02 0.00 -0.26 0.00 0.00 64.21 62.94 1gm1 n SER 36 CO 0.00 0.00 0.00 0.52 -0.16 0.00 0.00 175.04 175.40 1gm1 n VAL 37 N 3.38 3.28 -4.03 -3.33 0.31 -1.26 -4.80 118.33 111.87 1gm1 n VAL 37 Ca 0.74 -2.91 -0.34 0.00 -0.01 0.00 0.00 64.34 61.83 1gm1 n VAL 37 Cb 0.24 -1.47 -0.07 0.00 -0.91 0.00 0.00 33.84 31.63 1gm1 n VAL 37 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1gm1 n ARG 38 N 0.48 -0.80 0.00 5.55 0.63 -1.26 -2.45 116.66 118.81 1gm1 n ARG 38 Ca 0.47 0.11 0.00 0.00 -0.92 0.00 0.00 57.85 57.51 1gm1 n ARG 38 Cb 0.52 -3.74 0.00 0.00 0.45 0.00 0.00 32.46 29.69 1gm1 n ARG 38 CO 0.00 0.00 0.00 1.58 -2.51 0.00 0.00 177.63 176.70 1gm1 n HIS 39 N -3.56 0.00 0.00 -0.14 -0.00 -1.26 -5.06 115.22 105.20 1gm1 n HIS 39 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.75 1gm1 n HIS 39 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.40 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 1gm1 n GLY 40 N 0.00 2.28 3.32 1.57 0.00 -1.03 -4.62 105.19 106.71 1gm1 n GLY 40 Ca 0.00 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.15 1gm1 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gm1 s GLY 41 N 0.00 1.36 -0.35 -0.02 0.00 -1.26 -4.30 107.32 102.74 1gm1 s GLY 41 Ca 0.00 -1.50 -0.19 0.00 0.00 0.00 0.00 44.72 43.03 1gm1 s GLY 41 CO 0.00 -1.57 0.55 -0.42 0.00 0.00 0.00 173.10 171.66 1gm1 s ILE 42 N -2.29 4.98 0.16 0.90 -1.09 -1.26 -0.28 121.20 122.31 1gm1 s ILE 42 Ca 0.16 0.41 0.07 0.00 -2.23 0.00 0.00 60.65 59.07 1gm1 s ILE 42 Cb -0.04 -4.00 -0.04 0.00 -1.58 0.00 0.00 42.46 36.79 1gm1 s ILE 42 CO 0.06 -0.25 -0.04 -0.31 -1.23 0.00 0.00 174.94 173.17 1gm1 s TYR 43 N 2.49 2.79 -0.26 3.97 1.51 0.14 -0.83 117.35 127.16 1gm1 s TYR 43 Ca 0.20 -0.15 -0.29 0.00 -1.01 0.00 0.00 57.07 55.82 1gm1 s TYR 43 Cb -0.15 -1.37 0.00 0.00 -0.11 0.00 0.00 41.96 40.33 1gm1 s TYR 43 CO 0.14 0.50 1.24 0.08 -1.11 0.00 0.00 175.55 176.40 1gm1 s VAL 44 N -1.62 4.27 -0.15 0.71 1.01 0.62 -0.45 120.40 124.78 1gm1 s VAL 44 Ca 0.26 1.47 -0.06 0.00 0.00 0.00 0.00 61.98 63.65 1gm1 s VAL 44 Cb -0.10 -4.16 -0.24 0.00 0.00 0.00 0.00 36.38 31.88 1gm1 s VAL 44 CO 0.17 -0.37 0.23 1.17 0.00 0.00 0.00 175.10 176.30 1gm1 n LYS 45 N 7.00 0.72 -3.63 2.72 4.81 0.15 -1.21 118.16 128.72 1gm1 n LYS 45 Ca 0.14 0.26 -0.14 0.00 -0.87 0.00 0.00 58.31 57.70 1gm1 n LYS 45 Cb 0.46 -1.67 -0.06 0.00 0.02 0.00 0.00 35.03 33.78 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1gm1 s ALA 46 N -2.54 -1.18 -0.28 3.14 0.00 -0.98 -4.85 121.76 115.07 1gm1 s ALA 46 Ca -0.25 0.52 -0.06 0.00 0.00 0.00 0.00 51.96 52.17 1gm1 s ALA 46 Cb 0.07 0.30 0.01 0.00 0.00 0.00 0.00 23.12 23.49 1gm1 s ALA 46 CO 0.72 -0.45 0.05 -1.50 0.00 0.00 0.00 175.76 174.58 1gm1 s ILE 47 N -2.21 3.80 -0.08 0.00 1.10 -1.26 -1.47 121.20 121.08 1gm1 s ILE 47 Ca -0.07 -0.66 -0.30 0.00 -0.51 0.00 0.00 60.65 59.11 1gm1 s ILE 47 Cb -0.01 -2.92 -0.02 0.00 0.15 0.00 0.00 42.46 39.66 1gm1 s ILE 47 CO -0.00 0.15 1.12 -0.63 -2.11 0.00 0.00 174.94 173.47 1gm1 s ILE 48 N 1.49 4.48 0.03 2.00 -1.09 -0.12 -4.98 121.20 123.00 1gm1 s ILE 48 Ca 0.03 1.78 -0.34 0.00 -2.23 0.00 0.00 60.65 59.89 1gm1 s ILE 48 Cb -0.17 -4.14 -0.12 0.00 -1.58 0.00 0.00 42.46 36.45 1gm1 s ILE 48 CO 0.01 -0.00 1.76 -2.65 -1.23 0.00 0.00 174.94 172.83 1gm1 n PRO 49 N 5.14 2.24 -1.60 2.79 -0.02 -1.26 -2.13 135.00 140.15 1gm1 n PRO 49 Ca 0.10 0.81 -0.06 0.00 -2.02 0.00 0.00 63.50 62.34 1gm1 n PRO 49 Cb 0.47 -2.64 -0.01 0.00 -0.02 0.00 0.00 33.50 31.30 1gm1 n PRO 49 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 1gm1 n LYS 50 N 5.35 -0.44 -2.36 -0.52 4.01 -1.26 -5.05 118.16 117.89 1gm1 n LYS 50 Ca 0.20 0.51 -0.29 0.00 -0.51 0.00 0.00 58.31 58.22 1gm1 n LYS 50 Cb 0.30 -4.30 -0.00 0.00 -0.51 0.00 0.00 35.03 30.52 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1gm1 s GLY 51 N -2.84 1.64 0.15 0.72 0.00 -0.91 -4.93 107.32 101.15 1gm1 s GLY 51 Ca 0.00 -0.28 -0.25 0.00 0.00 0.00 0.00 44.72 44.19 1gm1 s GLY 51 CO 0.00 -0.06 1.59 0.00 0.00 0.00 0.00 173.10 174.63 1gm1 h ALA 52 N 0.17 -0.32 -0.28 3.20 0.00 -1.38 -1.02 119.26 119.64 1gm1 h ALA 52 Ca -0.46 0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.50 1gm1 h ALA 52 Cb 1.20 0.75 -0.01 0.00 0.00 0.00 0.00 17.79 19.72 1gm1 h ALA 52 CO 0.62 -0.79 0.10 0.00 0.00 0.00 0.00 179.25 179.18 1gm1 h ALA 53 N 0.55 0.36 -0.10 0.00 0.00 -0.44 -2.75 119.26 116.88 1gm1 h ALA 53 Ca 0.14 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 54.95 1gm1 h ALA 53 Cb 0.56 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.19 1gm1 h ALA 53 CO -0.51 -0.03 -0.51 1.49 0.00 0.00 0.00 179.25 179.70 1gm1 h GLU 54 N 0.30 -0.55 0.00 0.00 4.22 -1.66 -2.61 114.58 114.28 1gm1 h GLU 54 Ca 0.09 0.04 -0.00 0.00 0.08 0.00 0.00 59.36 59.57 1gm1 h GLU 54 Cb 0.20 0.13 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1gm1 h GLU 54 CO -0.01 -0.37 -0.00 0.77 -2.18 0.00 0.00 179.01 177.22 1gm1 h SER 55 N -0.57 0.00 0.32 1.04 0.02 -1.20 -3.12 113.55 110.04 1gm1 h SER 55 Ca 0.02 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 60.96 1gm1 h SER 55 Cb 0.65 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.19 1gm1 h SER 55 CO -0.39 0.00 -0.15 -0.78 -1.14 0.00 0.00 176.83 174.36 1gm1 h ASP 56 N 0.00 -0.37 0.00 3.07 3.58 -1.25 -3.49 116.42 117.97 1gm1 h ASP 56 Ca -0.00 0.01 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1gm1 h ASP 56 Cb 0.47 0.09 0.00 0.00 1.72 0.00 0.00 39.33 41.62 1gm1 h ASP 56 CO 0.00 -0.12 0.00 0.61 -2.88 0.00 0.00 179.24 176.85 1gm1 n GLY 57 N 0.14 1.02 0.12 -0.78 0.00 -1.00 -4.94 105.19 99.73 1gm1 n GLY 57 Ca -0.05 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 45.83 1gm1 n GLY 57 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1gm1 h ARG 58 N 3.44 -0.19 -6.36 1.61 3.08 -1.89 -3.44 114.38 110.62 1gm1 h ARG 58 Ca 0.00 0.01 -0.55 0.00 0.07 0.00 0.00 59.98 59.52 1gm1 h ARG 58 Cb 0.00 0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.07 1gm1 h ARG 58 CO 0.00 -0.03 0.48 0.42 -1.07 0.00 0.00 179.97 179.77 1gm1 s ILE 59 N -5.66 4.72 0.28 2.04 1.01 -1.26 -5.03 121.20 117.30 1gm1 s ILE 59 Ca -0.14 1.97 0.02 0.00 0.00 0.00 0.00 60.65 62.50 1gm1 s ILE 59 Cb 0.04 -4.26 -0.06 0.00 0.01 0.00 0.00 42.46 38.19 1gm1 s ILE 59 CO 0.64 0.09 0.08 -1.00 0.00 0.00 0.00 174.94 174.75 1gm1 s HIS 60 N 1.44 1.69 0.18 3.97 3.76 -1.26 -4.87 115.29 120.20 1gm1 s HIS 60 Ca 0.52 -1.08 -0.31 0.00 -0.15 0.00 0.00 55.06 54.04 1gm1 s HIS 60 Cb -0.21 -1.04 -0.09 0.00 1.11 0.00 0.00 32.58 32.35 1gm1 s HIS 60 CO 0.24 -0.19 1.46 0.21 -0.85 0.00 0.00 174.74 175.61 1gm1 s LYS 61 N -3.97 4.27 0.00 1.40 2.20 -1.26 -2.46 119.74 119.92 1gm1 s LYS 61 Ca 0.37 2.25 0.00 0.00 -0.36 0.00 0.00 55.97 58.22 1gm1 s LYS 61 Cb 0.08 -3.16 0.00 0.00 -1.51 0.00 0.00 37.83 33.24 1gm1 s LYS 61 CO 0.14 -0.47 0.00 0.41 -0.36 0.00 0.00 175.35 175.07 1gm1 n GLY 62 N 3.05 0.75 3.88 5.54 0.00 -0.35 -4.93 105.19 113.14 1gm1 n GLY 62 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1gm1 s ASP 63 N -2.46 5.05 0.04 1.61 1.01 -1.03 -4.15 116.67 116.74 1gm1 s ASP 63 Ca 0.00 1.03 0.03 0.00 0.71 0.00 0.00 52.55 54.32 1gm1 s ASP 63 Cb 0.00 -1.72 -0.02 0.00 1.01 0.00 0.00 42.92 42.19 1gm1 s ASP 63 CO 0.00 -1.58 -0.10 0.00 0.21 0.00 0.00 175.17 173.70 1gm1 s ARG 64 N -5.41 0.63 -0.15 8.23 1.70 -0.29 -0.28 118.95 123.38 1gm1 s ARG 64 Ca 0.60 -0.74 -0.07 0.00 -0.47 0.00 0.00 55.73 55.05 1gm1 s ARG 64 Cb -0.11 -0.50 -0.04 0.00 -0.57 0.00 0.00 34.95 33.72 1gm1 s ARG 64 CO 0.51 0.11 0.08 0.08 -1.08 0.00 0.00 175.30 175.00 1gm1 s VAL 65 N -1.15 4.97 -0.27 4.99 1.01 -0.01 -0.31 120.40 129.63 1gm1 s VAL 65 Ca -0.05 0.02 -0.15 0.00 0.00 0.00 0.00 61.98 61.80 1gm1 s VAL 65 Cb -0.09 -3.20 -0.12 0.00 0.00 0.00 0.00 36.38 32.97 1gm1 s VAL 65 CO 0.01 0.52 -0.31 0.18 0.00 0.00 0.00 175.10 175.50 1gm1 n LEU 66 N 2.93 1.95 -3.73 3.92 4.32 -0.56 -4.48 117.00 121.35 1gm1 n LEU 66 Ca -0.18 0.35 -0.12 0.00 -0.02 0.00 0.00 56.01 56.04 1gm1 n LEU 66 Cb 0.53 -0.83 -0.11 0.00 -1.62 0.00 0.00 43.42 41.40 1gm1 n LEU 66 CO 0.33 0.50 0.05 0.00 -1.22 0.00 0.00 177.39 177.05 1gm1 s ALA 67 N -2.52 -0.97 -0.17 -1.18 0.00 -0.92 -1.35 121.76 114.65 1gm1 s ALA 67 Ca -0.37 1.22 -0.02 0.00 0.00 0.00 0.00 51.96 52.79 1gm1 s ALA 67 Cb 0.13 -0.73 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 1gm1 s ALA 67 CO 0.49 -0.21 -0.10 0.08 0.00 0.00 0.00 175.76 176.03 1gm1 s VAL 68 N 0.61 3.16 -1.24 0.00 1.01 -0.36 -0.93 120.40 122.66 1gm1 s VAL 68 Ca -0.03 -0.60 -0.01 0.00 0.00 0.00 0.00 61.98 61.34 1gm1 s VAL 68 Cb -0.05 -2.37 0.00 0.00 0.00 0.00 0.00 36.38 33.96 1gm1 s VAL 68 CO -0.04 0.49 0.08 -3.20 0.00 0.00 0.00 175.10 172.43 1gm1 n ASN 69 N 4.05 -4.56 0.00 3.32 4.05 0.57 -0.95 115.26 121.73 1gm1 n ASN 69 Ca -0.18 -0.05 0.00 0.00 0.45 0.00 0.00 54.58 54.80 1gm1 n ASN 69 Cb 0.52 -3.66 0.00 0.00 1.23 0.00 0.00 39.78 37.87 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 177.26 174.82 1gm1 n GLY 70 N -1.07 3.16 3.64 8.20 0.00 -1.26 -4.97 105.19 112.89 1gm1 n GLY 70 Ca -0.16 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.46 1gm1 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gm1 s VAL 71 N -2.09 5.04 0.13 1.61 1.01 -0.12 -5.03 120.40 120.94 1gm1 s VAL 71 Ca 0.00 1.05 -0.31 0.00 0.00 0.00 0.00 61.98 62.73 1gm1 s VAL 71 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.41 1gm1 s VAL 71 CO 0.00 0.09 1.29 -0.94 0.00 0.00 0.00 175.10 175.54 1gm1 s SER 72 N 1.35 6.95 -1.45 3.32 1.04 -1.26 -1.22 113.70 122.44 1gm1 s SER 72 Ca 0.25 2.24 -0.10 0.00 0.48 0.00 0.00 55.95 58.82 1gm1 s SER 72 Cb -0.16 -2.59 0.04 0.00 0.10 0.00 0.00 66.02 63.42 1gm1 s SER 72 CO 0.09 -0.53 2.42 0.18 0.98 0.00 0.00 173.24 176.38 1gm1 n LEU 73 N 3.47 7.69 -4.59 2.42 4.77 -0.46 -4.94 117.00 125.37 1gm1 n LEU 73 Ca 0.09 -4.48 -0.42 0.00 -0.03 0.00 0.00 56.01 51.17 1gm1 n LEU 73 Cb 0.44 -1.52 -0.06 0.00 -2.33 0.00 0.00 43.42 39.94 1gm1 n LEU 73 CO 0.57 1.68 0.45 -1.61 -1.33 0.00 0.00 177.39 177.15 1gm1 s GLU 74 N 1.32 3.84 -0.54 3.23 0.41 -1.26 -3.83 118.70 121.88 1gm1 s GLU 74 Ca 0.54 0.30 0.00 0.00 -0.41 0.00 0.00 54.97 55.40 1gm1 s GLU 74 Cb 0.15 -3.76 0.00 0.00 -1.78 0.00 0.00 34.13 28.75 1gm1 s GLU 74 CO -0.06 -0.67 0.00 0.41 -0.49 0.00 0.00 175.26 174.45 1gm1 n GLY 75 N 4.45 0.76 3.77 -1.39 0.00 -1.26 -4.96 105.19 106.56 1gm1 n GLY 75 Ca 0.00 -0.59 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -2.12 3.22 0.72 4.61 0.00 -1.25 -4.66 121.76 122.28 1gm1 s ALA 76 Ca 0.00 0.97 0.02 0.00 0.00 0.00 0.00 51.96 52.95 1gm1 s ALA 76 Cb 0.00 -3.38 0.14 0.00 0.00 0.00 0.00 23.12 19.88 1gm1 s ALA 76 CO 0.00 -0.47 0.99 0.95 0.00 0.00 0.00 175.76 177.23 1gm1 s THR 77 N -1.37 2.02 0.11 0.00 -4.23 -1.26 -0.71 115.64 110.21 1gm1 s THR 77 Ca 0.54 -0.69 -0.14 0.00 -1.18 0.00 0.00 61.69 60.23 1gm1 s THR 77 Cb -0.31 -2.34 -0.05 0.00 1.34 0.00 0.00 72.50 71.14 1gm1 s THR 77 CO 0.40 0.00 1.49 -0.74 -0.54 0.00 0.00 174.62 175.22 1gm1 h HIS 78 N -0.48 0.85 -0.57 3.99 2.76 -1.91 -2.78 115.15 117.01 1gm1 h HIS 78 Ca -0.33 -0.21 0.09 0.00 -2.20 0.00 0.00 60.37 57.72 1gm1 h HIS 78 Cb 1.27 -0.20 -0.07 0.00 1.55 0.00 0.00 27.41 29.96 1gm1 h HIS 78 CO -0.16 0.93 0.18 -0.22 -1.30 0.00 0.00 177.93 177.36 1gm1 h LYS 79 N 0.52 0.33 -0.12 5.26 1.63 -1.95 -0.33 116.57 121.91 1gm1 h LYS 79 Ca 0.08 -0.02 0.04 0.00 -0.85 0.00 0.00 60.65 59.89 1gm1 h LYS 79 Cb 0.71 -0.07 -0.04 0.00 -0.60 0.00 0.00 32.23 32.23 1gm1 h LYS 79 CO 0.05 0.22 -0.11 0.37 -3.45 0.00 0.00 179.45 176.53 1gm1 h GLN 80 N 0.34 -0.13 -0.42 1.90 -0.00 -1.92 0.29 115.11 115.17 1gm1 h GLN 80 Ca 0.29 0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.88 1gm1 h GLN 80 Cb 0.37 0.03 -0.02 0.00 0.00 0.00 0.00 27.48 27.86 1gm1 h GLN 80 CO -0.32 -0.09 0.00 0.00 0.00 0.00 0.00 178.83 178.43 1gm1 h ALA 81 N 0.94 0.57 -0.06 3.38 0.00 -1.21 -1.43 119.26 121.45 1gm1 h ALA 81 Ca 0.08 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.72 1gm1 h ALA 81 Cb 0.26 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gm1 h ALA 81 CO -0.20 0.35 -0.00 0.28 0.00 0.00 0.00 179.25 179.68 1gm1 h VAL 82 N 0.58 1.25 -0.09 0.00 2.07 -0.95 -0.88 116.25 118.24 1gm1 h VAL 82 Ca 0.12 -0.78 -0.04 0.00 0.82 0.00 0.00 66.70 66.81 1gm1 h VAL 82 Cb 0.48 1.67 -0.01 0.00 -1.52 0.00 0.00 31.29 31.92 1gm1 h VAL 82 CO 0.02 0.21 -0.15 -0.33 0.02 0.00 0.00 177.57 177.35 1gm1 h GLU 83 N -0.20 0.14 -0.23 1.57 4.39 -0.96 0.22 114.58 119.51 1gm1 h GLU 83 Ca 0.02 -0.03 -0.09 0.00 0.34 0.00 0.00 59.36 59.60 1gm1 h GLU 83 Cb 0.34 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 28.97 1gm1 h GLU 83 CO 0.00 0.30 -0.20 1.15 -1.16 0.00 0.00 179.01 179.10 1gm1 h THR 84 N 0.14 1.32 -0.09 1.13 2.02 -1.14 -1.45 112.91 114.83 1gm1 h THR 84 Ca 0.03 -1.35 -0.11 0.00 0.77 0.00 0.00 66.41 65.75 1gm1 h THR 84 Cb 0.35 1.67 -0.01 0.00 -1.74 0.00 0.00 68.15 68.42 1gm1 h THR 84 CO 0.02 0.42 -0.45 -0.07 0.37 0.00 0.00 175.52 175.81 1gm1 h LEU 85 N 0.25 0.23 -0.24 2.58 3.38 -0.76 -3.22 115.31 117.53 1gm1 h LEU 85 Ca 0.04 -0.10 -0.03 0.00 0.09 0.00 0.00 57.88 57.87 1gm1 h LEU 85 Cb 0.74 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.42 1gm1 h LEU 85 CO 0.05 0.66 0.02 -0.09 0.09 0.00 0.00 178.44 179.17 1gm1 h ARG 86 N 0.18 0.41 -1.87 1.13 1.12 -0.53 -3.24 114.38 111.59 1gm1 h ARG 86 Ca 0.01 -0.12 -0.30 0.00 -1.11 0.00 0.00 59.98 58.47 1gm1 h ARG 86 Cb 0.87 -0.04 -0.11 0.00 -0.01 0.00 0.00 29.97 30.67 1gm1 h ARG 86 CO 0.07 0.56 0.14 -1.71 -3.11 0.00 0.00 179.97 175.92 1gm1 n ASN 87 N -4.68 5.99 -4.99 -3.80 5.15 -0.55 -4.85 115.26 107.53 1gm1 n ASN 87 Ca -0.04 -2.86 -0.18 0.00 -0.60 0.00 0.00 54.58 50.90 1gm1 n ASN 87 Cb 0.22 -1.21 0.01 0.00 -0.53 0.00 0.00 39.78 38.26 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1gm1 s THR 88 N -1.11 2.75 0.00 -0.44 -4.23 -1.22 -4.98 115.64 106.41 1gm1 s THR 88 Ca 0.44 -1.08 0.00 0.00 -1.18 0.00 0.00 61.69 59.87 1gm1 s THR 88 Cb 0.27 -2.83 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1gm1 s THR 88 CO -0.07 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.62 1gm1 n GLY 89 N -1.86 2.44 0.00 3.99 0.00 -1.26 -5.08 105.19 103.43 1gm1 n GLY 89 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 46.02 45.95 1gm1 n GLY 89 CO 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 173.32 173.14 1gm1 n GLN 90 N 0.00 0.00 -3.77 1.61 -0.06 -1.26 -4.63 117.38 109.27 1gm1 n GLN 90 Ca 0.00 0.49 -0.35 0.00 -2.00 0.00 0.00 57.00 55.14 1gm1 n GLN 90 Cb 0.00 -1.22 -0.08 0.00 -4.06 0.00 0.00 30.24 24.88 1gm1 n GLN 90 CO 0.00 0.00 0.00 0.08 -0.20 0.00 0.00 177.06 176.94 1gm1 s VAL 91 N -1.88 5.29 -0.29 1.69 1.01 -1.26 -1.39 120.40 123.57 1gm1 s VAL 91 Ca 0.00 0.15 0.03 0.00 0.00 0.00 0.00 61.98 62.15 1gm1 s VAL 91 Cb 0.00 -3.42 0.08 0.00 0.00 0.00 0.00 36.38 33.04 1gm1 s VAL 91 CO 0.00 0.43 -0.01 -0.69 0.00 0.00 0.00 175.10 174.84 1gm1 s VAL 92 N 0.44 1.93 -0.50 2.92 1.01 0.22 -4.97 120.40 121.44 1gm1 s VAL 92 Ca 0.07 -1.82 -0.23 0.00 0.00 0.00 0.00 61.98 60.00 1gm1 s VAL 92 Cb -0.11 -2.28 0.04 0.00 0.00 0.00 0.00 36.38 34.02 1gm1 s VAL 92 CO -0.01 -0.36 0.82 -2.28 0.00 0.00 0.00 175.10 173.27 1gm1 s HIS 93 N 1.14 2.92 0.06 5.22 2.46 -1.26 -0.75 115.29 125.08 1gm1 s HIS 93 Ca 0.02 -0.04 -0.11 0.00 0.47 0.00 0.00 55.06 55.41 1gm1 s HIS 93 Cb -0.19 -3.82 -0.06 0.00 -0.13 0.00 0.00 32.58 28.39 1gm1 s HIS 93 CO -0.09 -1.15 0.40 -0.51 -2.47 0.00 0.00 174.74 170.92 1gm1 s LEU 94 N 3.46 4.37 -0.14 8.88 1.43 0.40 -0.32 118.68 136.76 1gm1 s LEU 94 Ca 0.27 0.82 0.02 0.00 -1.03 0.00 0.00 54.13 54.22 1gm1 s LEU 94 Cb -0.14 -2.91 0.01 0.00 0.03 0.00 0.00 46.19 43.18 1gm1 s LEU 94 CO 0.19 0.20 -0.21 -0.22 0.23 0.00 0.00 176.35 176.54 1gm1 s LEU 95 N -1.77 2.15 0.22 1.79 2.96 -0.10 -0.22 118.68 123.71 1gm1 s LEU 95 Ca 0.31 -0.59 -0.12 0.00 -0.22 0.00 0.00 54.13 53.51 1gm1 s LEU 95 Cb -0.14 -1.46 -0.00 0.00 0.50 0.00 0.00 46.19 45.09 1gm1 s LEU 95 CO 0.17 0.08 0.42 -1.48 -1.32 0.00 0.00 176.35 174.22 1gm1 s LEU 96 N 0.83 0.48 -0.14 -0.68 0.05 -0.84 -1.49 118.68 116.89 1gm1 s LEU 96 Ca -0.07 -0.89 -0.01 0.00 0.05 0.00 0.00 54.13 53.22 1gm1 s LEU 96 Cb -0.15 1.60 -0.02 0.00 -2.05 0.00 0.00 46.19 45.57 1gm1 s LEU 96 CO -0.02 -1.06 -0.12 -0.70 -0.55 0.00 0.00 176.35 173.91 1gm1 s GLU 97 N -4.00 3.41 0.18 1.48 2.12 0.58 -1.80 118.70 120.68 1gm1 s GLU 97 Ca 0.21 -0.67 -0.30 0.00 0.36 0.00 0.00 54.97 54.57 1gm1 s GLU 97 Cb 0.01 -2.68 -0.08 0.00 0.26 0.00 0.00 34.13 31.64 1gm1 s GLU 97 CO 0.06 0.19 1.00 0.21 -0.54 0.00 0.00 175.26 176.18 1gm1 s LYS 98 N 0.41 4.72 -1.27 4.30 2.47 0.43 -1.14 119.74 129.67 1gm1 s LYS 98 Ca -0.09 1.56 -0.18 0.00 -1.56 0.00 0.00 55.97 55.70 1gm1 s LYS 98 Cb -0.16 -3.30 0.02 0.00 -1.46 0.00 0.00 37.83 32.93 1gm1 s LYS 98 CO 0.05 0.28 1.90 0.41 0.16 0.00 0.00 175.35 178.15 1gm1 n GLY 99 N 1.86 2.74 0.15 5.54 0.00 -1.26 -4.74 105.19 109.48 1gm1 n GLY 99 Ca 0.01 -1.34 0.13 0.00 0.00 0.00 0.00 46.02 44.81 1gm1 n GLY 99 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1gm1 h GLN 100 N 7.60 0.00 -7.59 1.61 3.07 -1.93 -3.46 115.11 114.41 1gm1 h GLN 100 Ca 0.44 0.00 -0.47 0.00 0.09 0.00 0.00 58.65 58.71 1gm1 h GLN 100 Cb 0.81 0.00 0.10 0.00 0.08 0.00 0.00 27.48 28.47 1gm1 h GLN 100 CO 1.56 0.00 0.39 0.14 0.09 0.00 0.00 178.83 181.01 1gm1 s VAL 101 N -3.29 2.03 -2.00 1.86 -7.23 -1.26 -5.01 120.40 105.50 1gm1 s VAL 101 Ca 0.06 -0.03 0.08 0.00 -1.81 0.00 0.00 61.98 60.28 1gm1 s VAL 101 Cb 0.10 -3.00 0.23 0.00 0.56 0.00 0.00 36.38 34.26 1gm1 s VAL 101 CO 0.51 0.00 0.93 -2.65 -0.31 0.00 0.00 175.10 173.58