#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 s PRO 10 N 0.00 -0.90 0.00 -1.58 0.02 -1.26 -4.32 135.00 126.96 1gm1 s PRO 10 Ca 0.00 -0.11 0.00 0.00 0.02 0.00 0.00 61.00 60.91 1gm1 s PRO 10 Cb 0.00 -1.64 0.00 0.00 0.02 0.00 0.00 34.50 32.88 1gm1 s PRO 10 CO 0.00 -3.49 0.00 0.41 -0.33 0.00 0.00 177.00 173.59 1gm1 n GLY 11 N -1.41 0.75 3.83 0.52 0.00 -1.05 -5.00 105.19 102.83 1gm1 n GLY 11 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 1gm1 n GLY 11 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1gm1 s ASP 12 N -2.77 6.75 0.08 1.61 2.15 -1.26 -4.81 116.67 118.41 1gm1 s ASP 12 Ca 0.00 0.89 0.04 0.00 0.43 0.00 0.00 52.55 53.91 1gm1 s ASP 12 Cb 0.00 -2.23 -0.04 0.00 -0.30 0.00 0.00 42.92 40.35 1gm1 s ASP 12 CO 0.00 0.31 0.04 0.42 -0.17 0.00 0.00 175.17 175.77 1gm1 s THR 13 N -0.91 4.30 -0.08 1.71 -4.23 -1.26 -0.46 115.64 114.70 1gm1 s THR 13 Ca 0.23 -0.84 -0.05 0.00 -1.18 0.00 0.00 61.69 59.85 1gm1 s THR 13 Cb -0.16 -3.05 0.04 0.00 1.34 0.00 0.00 72.50 70.66 1gm1 s THR 13 CO 0.12 0.15 0.19 -0.36 -0.54 0.00 0.00 174.62 174.18 1gm1 s PHE 14 N -1.33 -0.23 -0.25 3.99 0.08 -0.26 -5.00 117.98 114.98 1gm1 s PHE 14 Ca 0.27 0.59 -0.22 0.00 0.12 0.00 0.00 56.93 57.69 1gm1 s PHE 14 Cb -0.12 0.00 -0.01 0.00 -0.57 0.00 0.00 43.02 42.32 1gm1 s PHE 14 CO 0.19 -0.17 0.71 -1.21 -0.10 0.00 0.00 175.22 174.64 1gm1 s GLU 15 N 0.91 4.14 -0.37 0.44 8.01 -1.26 -1.48 118.70 129.09 1gm1 s GLU 15 Ca -0.07 0.70 0.00 0.00 0.01 0.00 0.00 54.97 55.62 1gm1 s GLU 15 Cb -0.08 -3.65 0.10 0.00 -4.31 0.00 0.00 34.13 26.19 1gm1 s GLU 15 CO -0.05 -0.45 0.12 0.08 0.01 0.00 0.00 175.26 174.96 1gm1 s VAL 16 N 2.63 2.79 -0.54 2.63 1.01 0.35 -4.99 120.40 124.29 1gm1 s VAL 16 Ca 0.29 -2.14 -0.22 0.00 0.00 0.00 0.00 61.98 59.92 1gm1 s VAL 16 Cb -0.15 -2.95 0.05 0.00 0.00 0.00 0.00 36.38 33.33 1gm1 s VAL 16 CO 0.08 -0.60 0.80 -1.61 0.00 0.00 0.00 175.10 173.77 1gm1 s GLU 17 N 1.04 3.21 -0.09 2.72 8.01 -1.26 -0.24 118.70 132.09 1gm1 s GLU 17 Ca 0.08 -0.62 0.04 0.00 0.01 0.00 0.00 54.97 54.48 1gm1 s GLU 17 Cb -0.21 -4.10 -0.00 0.00 -4.31 0.00 0.00 34.13 25.51 1gm1 s GLU 17 CO -0.06 -1.40 -0.24 -1.17 0.01 0.00 0.00 175.26 172.40 1gm1 s LEU 18 N 3.35 2.09 -0.00 1.80 2.96 0.54 -4.95 118.68 124.47 1gm1 s LEU 18 Ca 0.22 -0.55 -0.01 0.00 -0.22 0.00 0.00 54.13 53.57 1gm1 s LEU 18 Cb -0.16 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.08 1gm1 s LEU 18 CO 0.15 0.17 0.13 0.00 -1.32 0.00 0.00 176.35 175.48 1gm1 s ALA 19 N 0.28 3.76 0.95 5.97 0.00 -1.26 0.53 121.76 131.98 1gm1 s ALA 19 Ca -0.17 -0.83 -0.12 0.00 0.00 0.00 0.00 51.96 50.84 1gm1 s ALA 19 Cb -0.17 -1.71 0.16 0.00 0.00 0.00 0.00 23.12 21.40 1gm1 s ALA 19 CO 0.08 0.72 1.09 0.15 0.00 0.00 0.00 175.76 177.80 1gm1 s LYS 20 N -1.88 0.80 -0.05 0.00 1.02 -0.98 -4.80 119.74 113.85 1gm1 s LYS 20 Ca 0.25 0.82 0.02 0.00 0.02 0.00 0.00 55.97 57.08 1gm1 s LYS 20 Cb -0.12 -1.76 0.02 0.00 -0.52 0.00 0.00 37.83 35.45 1gm1 s LYS 20 CO 0.17 -2.56 -0.08 0.95 -0.92 0.00 0.00 175.35 172.91 1gm1 s THR 21 N -2.85 0.77 -1.59 2.17 -4.23 -0.47 -4.85 115.64 104.59 1gm1 s THR 21 Ca 0.65 -0.27 -0.11 0.00 -1.18 0.00 0.00 61.69 60.78 1gm1 s THR 21 Cb -0.19 -0.74 0.09 0.00 1.34 0.00 0.00 72.50 73.00 1gm1 s THR 21 CO 0.58 0.27 0.59 -0.67 -0.54 0.00 0.00 174.62 174.85 1gm1 n ASP 22 N 3.85 -1.87 0.00 3.99 2.03 -1.26 -1.67 116.55 121.62 1gm1 n ASP 22 Ca -0.24 -1.04 0.00 0.00 0.52 0.00 0.00 54.79 54.04 1gm1 n ASP 22 Cb 0.52 -2.74 0.00 0.00 -0.72 0.00 0.00 41.12 38.17 1gm1 n ASP 22 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1gm1 n GLY 23 N -1.70 2.87 3.67 0.27 0.00 -1.26 -4.99 105.19 104.05 1gm1 n GLY 23 Ca -0.09 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.63 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 -2.51 3.76 -0.17 1.61 0.15 -0.67 -5.04 113.70 110.83 1gm1 s SER 24 Ca 0.00 -1.55 -0.17 0.00 0.70 0.00 0.00 55.95 54.93 1gm1 s SER 24 Cb 0.00 0.20 -0.06 0.00 -1.71 0.00 0.00 66.02 64.45 1gm1 s SER 24 CO 0.00 -0.72 -0.33 0.18 1.20 0.00 0.00 173.24 173.57 1gm1 n LEU 25 N -1.09 1.83 0.00 3.45 4.77 -1.26 -1.36 117.00 123.33 1gm1 n LEU 25 Ca -0.12 0.31 0.00 0.00 -0.03 0.00 0.00 56.01 56.17 1gm1 n LEU 25 Cb 0.67 -0.73 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 1gm1 n LEU 25 CO 0.41 -0.28 0.00 0.61 -1.33 0.00 0.00 177.39 176.80 1gm1 n GLY 26 N 1.46 0.89 3.08 -0.72 0.00 -1.26 -0.20 105.19 108.44 1gm1 n GLY 26 Ca -0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.78 1gm1 n GLY 26 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 1gm1 s ILE 27 N -1.06 0.07 -0.17 -0.61 2.07 -1.26 -0.94 121.20 119.29 1gm1 s ILE 27 Ca 0.00 -0.57 0.01 0.00 -1.41 0.00 0.00 60.65 58.68 1gm1 s ILE 27 Cb 0.00 -0.37 0.03 0.00 0.13 0.00 0.00 42.46 42.25 1gm1 s ILE 27 CO 0.00 -0.31 -0.12 -0.44 -1.91 0.00 0.00 174.94 172.15 1gm1 s SER 28 N -1.09 2.97 0.43 4.50 0.01 -0.37 -4.93 113.70 115.23 1gm1 s SER 28 Ca -0.12 -0.65 0.03 0.00 1.31 0.00 0.00 55.95 56.52 1gm1 s SER 28 Cb -0.06 -1.19 0.00 0.00 0.21 0.00 0.00 66.02 64.98 1gm1 s SER 28 CO 0.01 -0.10 0.62 0.68 0.41 0.00 0.00 173.24 174.86 1gm1 s VAL 29 N 1.46 3.70 0.28 3.43 -7.23 -1.26 -0.79 120.40 119.98 1gm1 s VAL 29 Ca 0.02 -0.73 -0.11 0.00 -1.81 0.00 0.00 61.98 59.36 1gm1 s VAL 29 Cb -0.14 -3.33 0.00 0.00 0.56 0.00 0.00 36.38 33.47 1gm1 s VAL 29 CO -0.10 -0.19 0.51 0.28 -0.31 0.00 0.00 175.10 175.29 1gm1 s THR 30 N -2.46 0.00 0.00 5.32 -1.32 0.26 -4.69 115.64 112.76 1gm1 s THR 30 Ca 0.49 -1.41 0.00 0.00 -1.21 0.00 0.00 61.69 59.57 1gm1 s THR 30 Cb -0.10 -2.35 0.00 0.00 -1.51 0.00 0.00 72.50 68.54 1gm1 s THR 30 CO 0.35 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.37 1gm1 n GLY 31 N -0.43 0.61 0.00 6.08 0.00 -1.26 -0.38 105.19 109.81 1gm1 n GLY 31 Ca -0.02 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.31 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 2.32 0.29 -0.02 0.00 -0.50 -3.77 105.19 103.51 1gm1 n GLY 32 Ca 0.00 -1.95 0.18 0.00 0.00 0.00 0.00 46.02 44.24 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 173.32 173.08 1gm1 h VAL 33 N 0.00 0.15 0.00 1.61 3.04 -0.86 -2.18 116.25 118.01 1gm1 h VAL 33 Ca 0.00 -0.39 -0.07 0.00 -1.01 0.00 0.00 66.70 65.22 1gm1 h VAL 33 Cb 0.00 1.33 -0.01 0.00 -2.01 0.00 0.00 31.29 30.60 1gm1 h VAL 33 CO 0.00 0.04 -0.36 -0.55 -1.01 0.00 0.00 177.57 175.69 1gm1 h ASN 34 N 0.00 0.00 -3.31 3.17 -1.07 -1.87 -3.45 115.58 109.04 1gm1 h ASN 34 Ca -0.00 0.00 -0.65 0.00 0.07 0.00 0.00 56.30 55.72 1gm1 h ASN 34 Cb 0.33 0.00 -0.12 0.00 -2.07 0.00 0.00 38.32 36.46 1gm1 h ASN 34 CO 0.00 0.36 -0.64 -0.89 0.07 0.00 0.00 177.43 176.33 1gm1 s THR 35 N -3.85 4.18 -1.31 6.14 2.01 -0.82 -5.01 115.64 116.99 1gm1 s THR 35 Ca -0.01 -0.80 -0.09 0.00 0.31 0.00 0.00 61.69 61.10 1gm1 s THR 35 Cb 0.12 -2.95 -0.11 0.00 0.01 0.00 0.00 72.50 69.57 1gm1 s THR 35 CO 0.69 0.21 2.91 -0.24 -0.69 0.00 0.00 174.62 177.50 1gm1 n SER 36 N 0.85 7.71 -1.94 3.53 2.88 -1.26 -4.61 113.62 120.78 1gm1 n SER 36 Ca -0.12 -2.51 0.01 0.00 -1.33 0.00 0.00 58.87 54.92 1gm1 n SER 36 Cb 0.52 -1.46 0.36 0.00 -0.75 0.00 0.00 64.21 62.88 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1gm1 n VAL 37 N 3.53 2.81 -1.32 2.46 0.24 -1.26 -4.94 118.33 119.85 1gm1 n VAL 37 Ca 0.69 -1.48 0.00 0.00 -2.04 0.00 0.00 64.34 61.51 1gm1 n VAL 37 Cb 0.30 -0.32 0.00 0.00 -1.47 0.00 0.00 33.84 32.35 1gm1 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gm1 n ARG 38 N 0.27 0.00 0.00 7.34 1.74 -1.26 -4.58 116.66 120.17 1gm1 n ARG 38 Ca 0.34 0.44 0.00 0.00 -0.77 0.00 0.00 57.85 57.85 1gm1 n ARG 38 Cb 1.28 -0.88 0.00 0.00 -1.02 0.00 0.00 32.46 31.84 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gm1 n HIS 39 N 0.10 0.00 0.00 -1.55 8.25 -1.26 -3.68 115.22 117.07 1gm1 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gm1 n HIS 39 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm1 n GLY 40 N 0.00 0.00 3.81 -1.41 0.00 -1.26 -4.75 105.19 101.57 1gm1 n GLY 40 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 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 2.34 -0.36 -0.02 0.00 -1.24 -3.03 107.32 105.00 1gm1 s GLY 41 Ca 0.00 0.48 -0.20 0.00 0.00 0.00 0.00 44.72 44.99 1gm1 s GLY 41 CO 0.00 0.79 0.63 -0.42 0.00 0.00 0.00 173.10 174.10 1gm1 s ILE 42 N -2.21 4.88 0.14 0.90 -1.09 -1.26 -1.40 121.20 121.16 1gm1 s ILE 42 Ca 0.65 0.53 0.08 0.00 -2.23 0.00 0.00 60.65 59.68 1gm1 s ILE 42 Cb -0.15 -4.09 -0.04 0.00 -1.58 0.00 0.00 42.46 36.60 1gm1 s ILE 42 CO 0.25 -0.34 -0.11 -0.31 -1.23 0.00 0.00 174.94 173.20 1gm1 s TYR 43 N 2.72 2.67 -0.17 3.97 2.02 0.49 -0.91 117.35 128.14 1gm1 s TYR 43 Ca 0.24 -0.20 -0.29 0.00 -0.37 0.00 0.00 57.07 56.45 1gm1 s TYR 43 Cb -0.14 -1.36 -0.01 0.00 -0.40 0.00 0.00 41.96 40.04 1gm1 s TYR 43 CO 0.15 0.46 1.21 0.08 -1.57 0.00 0.00 175.55 175.88 1gm1 s VAL 44 N -1.41 4.36 -0.23 0.71 1.01 0.23 -0.57 120.40 124.50 1gm1 s VAL 44 Ca 0.22 1.64 -0.17 0.00 0.00 0.00 0.00 61.98 63.68 1gm1 s VAL 44 Cb -0.10 -4.06 -0.17 0.00 0.00 0.00 0.00 36.38 32.05 1gm1 s VAL 44 CO 0.14 -0.13 0.02 1.17 0.00 0.00 0.00 175.10 176.30 1gm1 n LYS 45 N 6.40 0.60 -3.90 2.72 4.81 0.03 -0.45 118.16 128.37 1gm1 n LYS 45 Ca 0.13 0.42 -0.09 0.00 -0.87 0.00 0.00 58.31 57.91 1gm1 n LYS 45 Cb 0.45 -1.65 -0.08 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.44 -0.13 -0.12 3.14 0.00 -0.91 -4.74 121.76 116.56 1gm1 s ALA 46 Ca -0.32 -0.61 0.01 0.00 0.00 0.00 0.00 51.96 51.04 1gm1 s ALA 46 Cb 0.09 0.37 0.02 0.00 0.00 0.00 0.00 23.12 23.60 1gm1 s ALA 46 CO 0.58 -0.43 -0.16 -1.50 0.00 0.00 0.00 175.76 174.25 1gm1 s ILE 47 N -3.37 1.58 -0.14 0.00 1.10 -1.26 -1.23 121.20 117.87 1gm1 s ILE 47 Ca 0.01 -0.68 -0.29 0.00 -0.51 0.00 0.00 60.65 59.18 1gm1 s ILE 47 Cb 0.03 -1.45 -0.01 0.00 0.15 0.00 0.00 42.46 41.18 1gm1 s ILE 47 CO -0.08 0.46 1.14 -0.63 -2.11 0.00 0.00 174.94 173.72 1gm1 s ILE 48 N 1.10 4.46 0.16 2.00 -1.09 -0.12 -4.97 121.20 122.75 1gm1 s ILE 48 Ca -0.04 1.77 -0.33 0.00 -2.23 0.00 0.00 60.65 59.82 1gm1 s ILE 48 Cb -0.14 -4.14 -0.12 0.00 -1.58 0.00 0.00 42.46 36.48 1gm1 s ILE 48 CO -0.04 -0.08 1.71 -2.65 -1.23 0.00 0.00 174.94 172.64 1gm1 n PRO 49 N 5.85 2.55 -1.09 2.79 -0.02 -1.26 -2.03 135.00 141.79 1gm1 n PRO 49 Ca 0.12 0.92 -0.03 0.00 -2.02 0.00 0.00 63.50 62.49 1gm1 n PRO 49 Cb 0.46 -2.75 -0.01 0.00 -0.02 0.00 0.00 33.50 31.18 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 4.24 -0.31 -2.18 -0.52 5.02 -1.26 -5.05 118.16 118.10 1gm1 n LYS 50 Ca 0.17 0.51 -0.29 0.00 -2.02 0.00 0.00 58.31 56.68 1gm1 n LYS 50 Cb 0.33 -4.09 0.01 0.00 -0.02 0.00 0.00 35.03 31.26 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 1gm1 s GLY 51 N -2.72 1.59 0.15 0.72 0.00 -0.86 -4.90 107.32 101.31 1gm1 s GLY 51 Ca 0.00 -0.27 -0.27 0.00 0.00 0.00 0.00 44.72 44.18 1gm1 s GLY 51 CO 0.00 -0.04 1.58 0.00 0.00 0.00 0.00 173.10 174.64 1gm1 h ALA 52 N -0.12 -0.45 -0.45 3.20 0.00 -1.09 0.14 119.26 120.49 1gm1 h ALA 52 Ca -0.45 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.47 1gm1 h ALA 52 Cb 1.20 0.81 -0.02 0.00 0.00 0.00 0.00 17.79 19.78 1gm1 h ALA 52 CO 0.62 -0.86 0.19 0.00 0.00 0.00 0.00 179.25 179.20 1gm1 h ALA 53 N 0.36 0.58 0.06 0.00 0.00 -0.85 -1.80 119.26 117.60 1gm1 h ALA 53 Ca 0.12 -0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.90 1gm1 h ALA 53 Cb 0.59 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.18 1gm1 h ALA 53 CO -0.49 0.18 -0.26 1.49 0.00 0.00 0.00 179.25 180.17 1gm1 h GLU 54 N 0.58 -0.35 0.00 0.00 4.22 -1.64 -3.31 114.58 114.08 1gm1 h GLU 54 Ca 0.15 0.02 -0.04 0.00 0.08 0.00 0.00 59.36 59.57 1gm1 h GLU 54 Cb 0.17 0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.50 1gm1 h GLU 54 CO -0.01 -0.23 -0.20 0.66 -2.18 0.00 0.00 179.01 177.05 1gm1 h SER 55 N -0.36 0.00 0.39 1.04 4.64 -0.57 -3.11 113.55 115.57 1gm1 h SER 55 Ca -0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1gm1 h SER 55 Cb 0.37 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.43 1gm1 h SER 55 CO -0.14 0.20 -0.41 -0.78 -0.87 0.00 0.00 176.83 174.83 1gm1 h ASP 56 N 0.00 -1.13 0.00 4.97 3.58 -1.42 -3.48 116.42 118.95 1gm1 h ASP 56 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1gm1 h ASP 56 Cb 0.43 0.38 0.00 0.00 1.72 0.00 0.00 39.33 41.87 1gm1 h ASP 56 CO 0.03 -0.56 0.00 0.61 -2.88 0.00 0.00 179.24 176.44 1gm1 n GLY 57 N -1.50 0.95 0.24 -0.78 0.00 -1.18 -4.91 105.19 98.01 1gm1 n GLY 57 Ca -0.10 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.93 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 1.48 0.28 -5.26 1.61 3.08 -1.87 -3.42 114.38 110.27 1gm1 h ARG 58 Ca 0.00 -0.07 -0.61 0.00 0.07 0.00 0.00 59.98 59.37 1gm1 h ARG 58 Cb 0.00 -0.04 -0.13 0.00 0.08 0.00 0.00 29.97 29.88 1gm1 h ARG 58 CO 0.00 0.42 -0.34 0.42 -1.07 0.00 0.00 179.97 179.40 1gm1 s ILE 59 N -4.71 5.27 0.27 2.04 1.01 -1.26 -4.97 121.20 118.85 1gm1 s ILE 59 Ca -0.06 0.47 0.04 0.00 0.00 0.00 0.00 60.65 61.11 1gm1 s ILE 59 Cb 0.15 -3.63 -0.06 0.00 0.01 0.00 0.00 42.46 38.94 1gm1 s ILE 59 CO 0.74 0.28 0.00 -1.00 0.00 0.00 0.00 174.94 174.97 1gm1 s HIS 60 N 1.26 1.79 0.18 3.97 3.76 -1.26 -4.83 115.29 120.17 1gm1 s HIS 60 Ca 0.14 -0.88 -0.30 0.00 -0.15 0.00 0.00 55.06 53.86 1gm1 s HIS 60 Cb -0.14 -1.08 -0.09 0.00 1.11 0.00 0.00 32.58 32.38 1gm1 s HIS 60 CO 0.07 0.06 1.38 -1.59 -0.85 0.00 0.00 174.74 173.80 1gm1 s LYS 61 N -3.84 4.33 0.00 1.40 -2.85 -1.26 -2.30 119.74 115.22 1gm1 s LYS 61 Ca 0.31 2.14 0.00 0.00 -1.00 0.00 0.00 55.97 57.43 1gm1 s LYS 61 Cb 0.06 -3.19 0.00 0.00 -2.06 0.00 0.00 37.83 32.65 1gm1 s LYS 61 CO 0.12 -0.37 0.00 0.41 0.10 0.00 0.00 175.35 175.61 1gm1 n GLY 62 N 2.75 0.18 3.84 0.59 0.00 0.41 -4.98 105.19 107.98 1gm1 n GLY 62 Ca 0.08 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.26 6.33 -0.17 1.61 1.01 -0.97 -4.20 116.67 118.01 1gm1 s ASP 63 Ca 0.00 1.57 -0.01 0.00 0.71 0.00 0.00 52.55 54.81 1gm1 s ASP 63 Cb 0.00 -2.50 -0.01 0.00 1.01 0.00 0.00 42.92 41.42 1gm1 s ASP 63 CO 0.00 -0.79 -0.11 -0.60 0.21 0.00 0.00 175.17 173.88 1gm1 s ARG 64 N -4.42 3.31 -0.05 8.23 3.52 -0.74 -0.60 118.95 128.19 1gm1 s ARG 64 Ca 0.58 -0.69 -0.22 0.00 -0.13 0.00 0.00 55.73 55.27 1gm1 s ARG 64 Cb -0.11 -2.77 -0.04 0.00 -1.56 0.00 0.00 34.95 30.47 1gm1 s ARG 64 CO 0.39 -0.02 0.65 0.08 -0.81 0.00 0.00 175.30 175.59 1gm1 s VAL 65 N 0.96 5.02 -0.25 7.11 1.01 -0.09 -0.48 120.40 133.69 1gm1 s VAL 65 Ca -0.02 1.35 -0.05 0.00 0.00 0.00 0.00 61.98 63.26 1gm1 s VAL 65 Cb -0.15 -3.99 -0.13 0.00 0.00 0.00 0.00 36.38 32.11 1gm1 s VAL 65 CO -0.01 0.30 -0.27 0.18 0.00 0.00 0.00 175.10 175.30 1gm1 n LEU 66 N 3.49 2.41 -3.76 3.92 4.32 -0.33 -4.52 117.00 122.53 1gm1 n LEU 66 Ca -0.03 0.08 -0.13 0.00 -0.02 0.00 0.00 56.01 55.91 1gm1 n LEU 66 Cb 0.51 -0.80 -0.10 0.00 -1.62 0.00 0.00 43.42 41.42 1gm1 n LEU 66 CO 0.46 0.73 0.01 0.00 -1.22 0.00 0.00 177.39 177.36 1gm1 s ALA 67 N -2.47 -0.81 -0.12 -1.18 0.00 -0.18 -0.87 121.76 116.13 1gm1 s ALA 67 Ca -0.34 0.74 0.01 0.00 0.00 0.00 0.00 51.96 52.37 1gm1 s ALA 67 Cb 0.11 -0.35 0.02 0.00 0.00 0.00 0.00 23.12 22.90 1gm1 s ALA 67 CO 0.50 -0.19 -0.15 0.08 0.00 0.00 0.00 175.76 176.00 1gm1 s VAL 68 N -0.31 1.53 -1.32 0.00 1.01 -0.50 -0.56 120.40 120.25 1gm1 s VAL 68 Ca -0.04 -0.65 -0.03 0.00 0.00 0.00 0.00 61.98 61.26 1gm1 s VAL 68 Cb -0.03 -1.41 0.00 0.00 0.00 0.00 0.00 36.38 34.94 1gm1 s VAL 68 CO 0.02 0.45 0.37 -3.20 0.00 0.00 0.00 175.10 172.73 1gm1 n ASN 69 N 4.34 -5.22 0.00 3.32 5.15 0.53 -1.87 115.26 121.51 1gm1 n ASN 69 Ca -0.18 -0.18 0.00 0.00 -0.60 0.00 0.00 54.58 53.62 1gm1 n ASN 69 Cb 0.51 -4.13 0.00 0.00 -0.53 0.00 0.00 39.78 35.63 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1gm1 n GLY 70 N -1.29 2.26 3.54 8.20 0.00 -1.26 -4.99 105.19 111.67 1gm1 n GLY 70 Ca -0.12 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.50 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 -2.39 5.27 0.08 1.61 1.01 -0.78 -5.05 120.40 120.13 1gm1 s VAL 71 Ca 0.00 -0.10 -0.31 0.00 0.00 0.00 0.00 61.98 61.58 1gm1 s VAL 71 Cb 0.00 -3.71 -0.06 0.00 0.00 0.00 0.00 36.38 32.61 1gm1 s VAL 71 CO 0.00 0.02 1.20 -0.44 0.00 0.00 0.00 175.10 175.87 1gm1 s SER 72 N 1.73 7.08 -0.20 3.32 0.01 -1.26 -1.42 113.70 122.96 1gm1 s SER 72 Ca 0.07 2.05 -0.02 0.00 1.31 0.00 0.00 55.95 59.36 1gm1 s SER 72 Cb -0.17 -2.58 0.03 0.00 0.21 0.00 0.00 66.02 63.51 1gm1 s SER 72 CO 0.11 -0.45 2.51 0.18 0.41 0.00 0.00 173.24 175.99 1gm1 n LEU 73 N 3.73 5.95 -4.72 2.44 4.77 -0.05 -4.93 117.00 124.19 1gm1 n LEU 73 Ca 0.08 -3.22 -0.41 0.00 -0.03 0.00 0.00 56.01 52.43 1gm1 n LEU 73 Cb 0.46 -1.19 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1gm1 n LEU 73 CO 0.56 1.38 0.63 -1.61 -1.33 0.00 0.00 177.39 177.02 1gm1 s GLU 74 N -0.77 4.62 -0.36 3.23 2.02 -1.26 -3.10 118.70 123.08 1gm1 s GLU 74 Ca 0.37 1.37 0.00 0.00 0.02 0.00 0.00 54.97 56.73 1gm1 s GLU 74 Cb 0.23 -3.40 0.00 0.00 0.10 0.00 0.00 34.13 31.06 1gm1 s GLU 74 CO -0.05 0.14 0.00 0.41 0.02 0.00 0.00 175.26 175.78 1gm1 n GLY 75 N 2.50 0.54 3.77 -1.39 0.00 -1.26 -4.99 105.19 104.36 1gm1 n GLY 75 Ca 0.03 -0.16 -0.39 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.76 3.26 0.76 4.61 0.00 -1.18 -4.81 121.76 122.63 1gm1 s ALA 76 Ca 0.00 0.92 -0.03 0.00 0.00 0.00 0.00 51.96 52.86 1gm1 s ALA 76 Cb 0.00 -3.35 0.14 0.00 0.00 0.00 0.00 23.12 19.91 1gm1 s ALA 76 CO 0.00 -0.36 1.04 0.95 0.00 0.00 0.00 175.76 177.39 1gm1 s THR 77 N -1.35 2.10 0.10 0.00 -4.23 -1.26 -0.77 115.64 110.23 1gm1 s THR 77 Ca 0.52 -0.53 -0.21 0.00 -1.18 0.00 0.00 61.69 60.29 1gm1 s THR 77 Cb -0.30 -2.57 -0.11 0.00 1.34 0.00 0.00 72.50 70.86 1gm1 s THR 77 CO 0.39 0.00 1.74 -0.74 -0.54 0.00 0.00 174.62 175.47 1gm1 h HIS 78 N -0.68 0.13 -0.94 3.99 2.76 -1.89 -2.99 115.15 115.53 1gm1 h HIS 78 Ca -0.37 0.00 0.13 0.00 -2.20 0.00 0.00 60.37 57.93 1gm1 h HIS 78 Cb 1.26 -0.04 -0.08 0.00 1.55 0.00 0.00 27.41 30.10 1gm1 h HIS 78 CO -0.33 0.10 0.60 0.87 -1.30 0.00 0.00 177.93 177.86 1gm1 h LYS 79 N 0.12 0.83 0.00 5.26 1.79 -1.96 -2.74 116.57 119.88 1gm1 h LYS 79 Ca 0.04 -0.05 0.01 0.00 -2.18 0.00 0.00 60.65 58.47 1gm1 h LYS 79 Cb 0.00 -0.19 -0.02 0.00 -1.58 0.00 0.00 32.23 30.45 1gm1 h LYS 79 CO -0.01 0.55 -0.07 0.37 -1.08 0.00 0.00 179.45 179.21 1gm1 h GLN 80 N 0.85 -0.12 -0.16 3.15 -0.00 -1.91 -0.06 115.11 116.85 1gm1 h GLN 80 Ca 0.46 0.01 -0.12 0.00 -0.00 0.00 0.00 58.65 59.00 1gm1 h GLN 80 Cb 0.57 0.03 -0.01 0.00 0.00 0.00 0.00 27.48 28.07 1gm1 h GLN 80 CO -0.23 -0.08 -0.43 0.00 0.00 0.00 0.00 178.83 178.09 1gm1 h ALA 81 N 0.86 0.96 0.24 3.38 0.00 -1.57 -1.87 119.26 121.25 1gm1 h ALA 81 Ca 0.03 -0.44 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1gm1 h ALA 81 Cb 0.17 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.86 1gm1 h ALA 81 CO -0.07 0.63 -0.12 0.28 0.00 0.00 0.00 179.25 179.97 1gm1 h VAL 82 N 0.32 0.81 -0.89 0.00 2.07 -1.16 -0.10 116.25 117.31 1gm1 h VAL 82 Ca 0.02 -0.57 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 1gm1 h VAL 82 Cb 0.89 1.13 -0.04 0.00 -1.52 0.00 0.00 31.29 31.75 1gm1 h VAL 82 CO 0.07 0.12 0.54 -0.33 0.02 0.00 0.00 177.57 177.99 1gm1 h GLU 83 N -0.63 1.20 -0.73 1.57 4.39 -1.04 0.15 114.58 119.50 1gm1 h GLU 83 Ca -0.03 -0.11 -0.05 0.00 0.34 0.00 0.00 59.36 59.51 1gm1 h GLU 83 Cb 0.45 -0.25 -0.03 0.00 -0.10 0.00 0.00 28.75 28.81 1gm1 h GLU 83 CO 0.06 0.84 0.26 1.15 -1.16 0.00 0.00 179.01 180.15 1gm1 h THR 84 N 1.23 1.26 -0.18 1.13 2.02 -1.28 0.97 112.91 118.05 1gm1 h THR 84 Ca 0.32 -0.85 -0.18 0.00 0.77 0.00 0.00 66.41 66.47 1gm1 h THR 84 Cb -0.06 0.44 -0.00 0.00 -1.74 0.00 0.00 68.15 66.79 1gm1 h THR 84 CO -0.06 0.34 -0.62 -0.07 0.37 0.00 0.00 175.52 175.48 1gm1 h LEU 85 N 1.06 0.69 -0.20 2.58 3.38 -0.57 -3.30 115.31 118.95 1gm1 h LEU 85 Ca 0.24 -0.40 -0.02 0.00 0.09 0.00 0.00 57.88 57.79 1gm1 h LEU 85 Cb 0.26 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.80 1gm1 h LEU 85 CO -0.01 1.14 0.06 0.03 0.09 0.00 0.00 178.44 179.75 1gm1 h ARG 86 N 0.45 0.31 -2.62 1.13 3.08 -0.46 -3.26 114.38 113.01 1gm1 h ARG 86 Ca -0.01 -0.07 -0.70 0.00 0.07 0.00 0.00 59.98 59.28 1gm1 h ARG 86 Cb 1.19 -0.04 -0.10 0.00 0.08 0.00 0.00 29.97 31.10 1gm1 h ARG 86 CO 0.12 0.41 2.46 -1.71 -1.07 0.00 0.00 179.97 180.18 1gm1 n ASN 87 N -4.80 8.00 -4.83 7.04 5.15 0.31 -4.90 115.26 121.24 1gm1 n ASN 87 Ca -0.04 -3.03 -0.24 0.00 -0.60 0.00 0.00 54.58 50.67 1gm1 n ASN 87 Cb 0.15 -1.39 -0.05 0.00 -0.53 0.00 0.00 39.78 37.96 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 -0.58 4.56 0.00 -0.44 -4.23 -1.23 -4.91 115.64 108.81 1gm1 s THR 88 Ca 0.58 -1.17 0.00 0.00 -1.18 0.00 0.00 61.69 59.92 1gm1 s THR 88 Cb 0.20 -3.39 0.00 0.00 1.34 0.00 0.00 72.50 70.66 1gm1 s THR 88 CO -0.10 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.39 1gm1 n GLY 89 N -0.71 1.22 0.19 3.99 0.00 -1.26 -5.01 105.19 103.59 1gm1 n GLY 89 Ca -0.08 -1.56 -0.10 0.00 0.00 0.00 0.00 46.02 44.28 1gm1 n GLY 89 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gm1 h GLN 90 N 0.00 -0.36 -5.67 1.61 4.15 -2.00 -3.46 115.11 109.38 1gm1 h GLN 90 Ca 0.00 0.02 -0.67 0.00 0.77 0.00 0.00 58.65 58.77 1gm1 h GLN 90 Cb 0.00 0.08 -0.08 0.00 0.21 0.00 0.00 27.48 27.70 1gm1 h GLN 90 CO 0.00 -0.04 -0.49 0.54 -1.93 0.00 0.00 178.83 176.91 1gm1 s VAL 91 N -3.52 5.42 -0.13 2.39 0.11 -1.26 -2.31 120.40 121.09 1gm1 s VAL 91 Ca -0.11 0.17 0.01 0.00 -2.93 0.00 0.00 61.98 59.13 1gm1 s VAL 91 Cb 0.01 -3.36 0.02 0.00 -1.53 0.00 0.00 36.38 31.52 1gm1 s VAL 91 CO 0.39 0.62 -0.16 -0.69 -3.33 0.00 0.00 175.10 171.93 1gm1 s VAL 92 N -1.02 1.61 -0.52 2.04 1.01 0.19 -4.98 120.40 118.73 1gm1 s VAL 92 Ca 0.15 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.29 1gm1 s VAL 92 Cb -0.12 -1.48 0.11 0.00 0.00 0.00 0.00 36.38 34.90 1gm1 s VAL 92 CO 0.04 0.46 0.46 -1.00 0.00 0.00 0.00 175.10 175.06 1gm1 s HIS 93 N 1.20 3.26 0.38 5.22 3.76 -1.26 -0.34 115.29 127.51 1gm1 s HIS 93 Ca -0.01 -1.24 -0.01 0.00 -0.15 0.00 0.00 55.06 53.65 1gm1 s HIS 93 Cb -0.14 -3.61 -0.03 0.00 1.11 0.00 0.00 32.58 29.91 1gm1 s HIS 93 CO -0.06 -0.96 0.61 -0.51 -0.85 0.00 0.00 174.74 172.97 1gm1 s LEU 94 N 1.59 3.91 -0.06 0.89 1.43 0.67 -0.34 118.68 126.77 1gm1 s LEU 94 Ca 0.03 0.53 0.02 0.00 -1.03 0.00 0.00 54.13 53.69 1gm1 s LEU 94 Cb -0.28 -3.41 0.01 0.00 0.03 0.00 0.00 46.19 42.54 1gm1 s LEU 94 CO 0.04 -0.39 -0.12 -0.22 0.23 0.00 0.00 176.35 175.89 1gm1 s LEU 95 N -4.42 1.67 0.17 1.79 0.20 0.28 -0.49 118.68 117.87 1gm1 s LEU 95 Ca 0.42 -0.28 -0.05 0.00 0.69 0.00 0.00 54.13 54.92 1gm1 s LEU 95 Cb -0.10 -0.78 -0.03 0.00 -0.43 0.00 0.00 46.19 44.86 1gm1 s LEU 95 CO 0.38 0.04 0.18 -1.48 -0.29 0.00 0.00 176.35 175.18 1gm1 s LEU 96 N 0.56 1.24 0.04 -0.68 0.05 -0.55 -1.01 118.68 118.34 1gm1 s LEU 96 Ca -0.12 -1.12 0.05 0.00 0.05 0.00 0.00 54.13 52.99 1gm1 s LEU 96 Cb -0.14 0.73 -0.04 0.00 -2.05 0.00 0.00 46.19 44.69 1gm1 s LEU 96 CO 0.03 -0.84 -0.10 -0.70 -0.55 0.00 0.00 176.35 174.18 1gm1 s GLU 97 N -4.05 2.31 -0.02 1.48 2.12 0.37 -1.10 118.70 119.82 1gm1 s GLU 97 Ca 0.25 -0.88 -0.30 0.00 0.36 0.00 0.00 54.97 54.41 1gm1 s GLU 97 Cb 0.05 -2.37 -0.04 0.00 0.26 0.00 0.00 34.13 32.04 1gm1 s GLU 97 CO 0.04 0.56 1.17 0.21 -0.54 0.00 0.00 175.26 176.70 1gm1 s LYS 98 N -1.67 4.40 0.23 4.30 2.47 0.39 -1.80 119.74 128.06 1gm1 s LYS 98 Ca 0.18 1.66 -0.30 0.00 -1.56 0.00 0.00 55.97 55.94 1gm1 s LYS 98 Cb -0.11 -3.48 -0.10 0.00 -1.46 0.00 0.00 37.83 32.68 1gm1 s LYS 98 CO 0.09 -0.34 1.51 0.20 0.16 0.00 0.00 175.35 176.97 1gm1 s GLY 99 N 1.28 2.04 0.24 5.54 0.00 -1.26 -2.52 107.32 112.64 1gm1 s GLY 99 Ca 0.56 1.39 0.01 0.00 0.00 0.00 0.00 44.72 46.68 1gm1 s GLY 99 CO 0.25 2.44 1.62 0.06 0.00 0.00 0.00 173.10 177.47 1gm1 h GLN 100 N 5.54 0.45 -4.97 2.90 3.07 -1.94 -3.45 115.11 116.72 1gm1 h GLN 100 Ca -0.45 -0.23 -0.31 0.00 0.09 0.00 0.00 58.65 57.75 1gm1 h GLN 100 Cb 1.21 0.00 -0.15 0.00 0.08 0.00 0.00 27.48 28.63 1gm1 h GLN 100 CO 0.82 0.79 -0.70 0.14 0.09 0.00 0.00 178.83 179.97 1gm1 s VAL 101 N -4.19 1.04 -2.36 1.86 -7.23 -1.26 -4.87 120.40 103.39 1gm1 s VAL 101 Ca -0.06 -2.03 0.29 0.00 -1.81 0.00 0.00 61.98 58.37 1gm1 s VAL 101 Cb 0.13 -1.85 0.65 0.00 0.56 0.00 0.00 36.38 35.86 1gm1 s VAL 101 CO 0.81 -0.74 1.88 -0.81 -0.31 0.00 0.00 175.10 175.93