#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 3.74 0.00 -1.58 -0.04 -1.26 -4.14 135.00 131.72 1gm1 n PRO 10 Ca 0.00 -2.52 0.00 0.00 -0.04 0.00 0.00 63.50 60.94 1gm1 n PRO 10 Cb 0.00 -2.84 0.00 0.00 -0.04 0.00 0.00 33.50 30.62 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gm1 n GLY 11 N 3.31 0.25 3.64 0.55 0.00 -1.26 -4.50 105.19 107.18 1gm1 n GLY 11 Ca 0.71 -0.66 -0.19 0.00 0.00 0.00 0.00 46.02 45.88 1gm1 n GLY 11 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1gm1 n ASP 12 N 0.00 1.81 -4.98 1.61 -0.08 -1.26 -4.76 116.55 108.89 1gm1 n ASP 12 Ca 0.00 -2.35 -0.20 0.00 -1.51 0.00 0.00 54.79 50.73 1gm1 n ASP 12 Cb 0.00 -0.44 -0.01 0.00 2.34 0.00 0.00 41.12 43.01 1gm1 n ASP 12 CO 0.00 0.00 0.00 0.42 0.12 0.00 0.00 177.20 177.74 1gm1 s THR 13 N -2.47 4.66 -0.00 5.18 -4.23 -1.26 -1.34 115.64 116.18 1gm1 s THR 13 Ca 0.58 -1.00 -0.10 0.00 -1.18 0.00 0.00 61.69 59.98 1gm1 s THR 13 Cb -0.04 -3.63 0.01 0.00 1.34 0.00 0.00 72.50 70.18 1gm1 s THR 13 CO 0.37 -0.24 0.21 -0.36 -0.54 0.00 0.00 174.62 174.05 1gm1 s PHE 14 N -2.08 -0.05 -0.27 3.99 0.40 -0.33 -4.94 117.98 114.70 1gm1 s PHE 14 Ca 0.39 0.03 -0.09 0.00 -0.60 0.00 0.00 56.93 56.66 1gm1 s PHE 14 Cb -0.09 0.01 -0.03 0.00 0.51 0.00 0.00 43.02 43.42 1gm1 s PHE 14 CO 0.30 -0.33 0.12 -1.21 0.70 0.00 0.00 175.22 174.80 1gm1 s GLU 15 N -1.35 3.67 -0.44 0.44 2.02 -1.26 -1.55 118.70 120.24 1gm1 s GLU 15 Ca -0.14 -0.48 -0.16 0.00 0.02 0.00 0.00 54.97 54.20 1gm1 s GLU 15 Cb -0.07 -3.47 0.04 0.00 0.10 0.00 0.00 34.13 30.73 1gm1 s GLU 15 CO 0.03 -0.23 0.41 0.08 0.02 0.00 0.00 175.26 175.56 1gm1 s VAL 16 N 1.66 5.14 -0.86 2.63 1.01 0.15 -4.95 120.40 125.18 1gm1 s VAL 16 Ca 0.06 -0.61 -0.09 0.00 0.00 0.00 0.00 61.98 61.35 1gm1 s VAL 16 Cb -0.16 -4.06 0.22 0.00 0.00 0.00 0.00 36.38 32.39 1gm1 s VAL 16 CO 0.06 -0.47 0.77 -1.61 0.00 0.00 0.00 175.10 173.86 1gm1 s GLU 17 N 1.96 3.46 0.01 2.72 2.02 -1.25 -0.93 118.70 126.68 1gm1 s GLU 17 Ca 0.09 -2.77 0.09 0.00 0.02 0.00 0.00 54.97 52.39 1gm1 s GLU 17 Cb -0.19 -4.23 -0.02 0.00 0.10 0.00 0.00 34.13 29.78 1gm1 s GLU 17 CO 0.11 -1.25 -0.26 -1.17 0.02 0.00 0.00 175.26 172.71 1gm1 s LEU 18 N -0.44 2.11 -0.10 1.80 2.96 -0.20 -4.91 118.68 119.90 1gm1 s LEU 18 Ca 0.22 -0.53 -0.05 0.00 -0.22 0.00 0.00 54.13 53.55 1gm1 s LEU 18 Cb -0.12 -1.29 -0.04 0.00 0.50 0.00 0.00 46.19 45.25 1gm1 s LEU 18 CO -0.08 0.28 0.11 0.00 -1.32 0.00 0.00 176.35 175.34 1gm1 s ALA 19 N -0.71 3.73 0.75 5.97 0.00 -1.26 0.37 121.76 130.61 1gm1 s ALA 19 Ca 0.11 -0.70 -0.12 0.00 0.00 0.00 0.00 51.96 51.25 1gm1 s ALA 19 Cb -0.10 -1.83 0.04 0.00 0.00 0.00 0.00 23.12 21.23 1gm1 s ALA 19 CO 0.01 0.62 1.10 0.15 0.00 0.00 0.00 175.76 177.64 1gm1 s LYS 20 N -1.08 2.38 -0.36 0.00 1.02 -0.81 -4.87 119.74 116.02 1gm1 s LYS 20 Ca 0.16 1.23 -0.04 0.00 0.02 0.00 0.00 55.97 57.34 1gm1 s LYS 20 Cb -0.12 -1.91 0.07 0.00 -0.52 0.00 0.00 37.83 35.36 1gm1 s LYS 20 CO 0.05 -1.56 0.12 0.95 -0.92 0.00 0.00 175.35 173.99 1gm1 s THR 21 N -2.76 3.33 -1.37 2.17 -4.23 -0.38 -4.66 115.64 107.74 1gm1 s THR 21 Ca 0.63 -1.60 -0.06 0.00 -1.18 0.00 0.00 61.69 59.47 1gm1 s THR 21 Cb -0.18 -3.07 0.03 0.00 1.34 0.00 0.00 72.50 70.62 1gm1 s THR 21 CO 0.53 -0.38 0.90 -0.67 -0.54 0.00 0.00 174.62 174.46 1gm1 n ASP 22 N 4.67 -3.19 0.00 3.99 2.03 -1.26 -1.64 116.55 121.15 1gm1 n ASP 22 Ca -0.08 -0.74 0.00 0.00 0.52 0.00 0.00 54.79 54.48 1gm1 n ASP 22 Cb 0.43 -4.27 0.00 0.00 -0.72 0.00 0.00 41.12 36.55 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 -1.62 2.01 3.71 0.27 0.00 -1.26 -5.01 105.19 103.29 1gm1 n GLY 23 Ca -0.14 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1gm1 n GLY 23 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1gm1 s SER 24 N -3.50 5.15 -0.21 1.61 1.04 -0.65 -5.01 113.70 112.13 1gm1 s SER 24 Ca 0.00 -0.13 -0.16 0.00 0.48 0.00 0.00 55.95 56.14 1gm1 s SER 24 Cb 0.00 -1.27 -0.08 0.00 0.10 0.00 0.00 66.02 64.77 1gm1 s SER 24 CO 0.00 0.18 -0.34 0.18 0.98 0.00 0.00 173.24 174.24 1gm1 n LEU 25 N 0.57 1.90 0.00 2.42 4.77 -1.26 -1.25 117.00 124.15 1gm1 n LEU 25 Ca -0.10 0.32 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1gm1 n LEU 25 Cb 0.52 -0.75 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1gm1 n LEU 25 CO 0.40 0.03 0.00 0.61 -1.33 0.00 0.00 177.39 177.10 1gm1 n GLY 26 N 1.46 0.70 3.02 -0.72 0.00 -1.26 0.19 105.19 108.58 1gm1 n GLY 26 Ca -0.28 -0.47 -0.12 0.00 0.00 0.00 0.00 46.02 45.15 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 -1.10 0.02 -0.26 -0.61 2.07 -1.26 -1.00 121.20 119.06 1gm1 s ILE 27 Ca 0.00 -0.17 -0.03 0.00 -1.41 0.00 0.00 60.65 59.03 1gm1 s ILE 27 Cb 0.00 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.39 1gm1 s ILE 27 CO 0.00 -0.09 -0.01 -0.55 -1.91 0.00 0.00 174.94 172.37 1gm1 s SER 28 N -0.27 4.60 0.24 4.50 0.15 -0.01 -4.92 113.70 118.00 1gm1 s SER 28 Ca -0.03 -0.81 0.06 0.00 0.70 0.00 0.00 55.95 55.86 1gm1 s SER 28 Cb -0.03 -1.74 -0.03 0.00 -1.71 0.00 0.00 66.02 62.51 1gm1 s SER 28 CO 0.00 -0.15 0.32 0.68 1.20 0.00 0.00 173.24 175.30 1gm1 s VAL 29 N 1.39 5.05 0.33 4.45 -7.23 -1.26 -0.62 120.40 122.51 1gm1 s VAL 29 Ca 0.01 -1.09 0.03 0.00 -1.81 0.00 0.00 61.98 59.12 1gm1 s VAL 29 Cb -0.17 -3.74 -0.01 0.00 0.56 0.00 0.00 36.38 33.02 1gm1 s VAL 29 CO -0.02 -0.33 0.37 1.07 -0.31 0.00 0.00 175.10 175.88 1gm1 n THR 30 N -1.36 0.00 0.00 5.32 5.66 0.30 -4.75 114.28 119.45 1gm1 n THR 30 Ca -0.09 -2.08 0.00 0.00 -3.05 0.00 0.00 64.05 58.84 1gm1 n THR 30 Cb 0.57 1.14 0.00 0.00 -1.55 0.00 0.00 70.33 70.49 1gm1 n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gm1 n GLY 31 N -0.59 -0.09 0.00 1.09 0.00 -1.26 -0.53 105.19 103.81 1gm1 n GLY 31 Ca 0.04 -2.10 0.00 0.00 0.00 0.00 0.00 46.02 43.97 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 2.44 0.16 -0.02 0.00 -0.07 -3.90 105.19 103.80 1gm1 n GLY 32 Ca 0.00 -1.79 0.13 0.00 0.00 0.00 0.00 46.02 44.36 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 0.00 0.00 1.61 3.04 -1.19 -3.14 116.25 116.57 1gm1 h VAL 33 Ca 0.00 -0.69 -0.03 0.00 -1.01 0.00 0.00 66.70 64.97 1gm1 h VAL 33 Cb 0.00 1.67 -0.00 0.00 -2.01 0.00 0.00 31.29 30.95 1gm1 h VAL 33 CO 0.00 0.00 -0.17 -1.13 -1.01 0.00 0.00 177.57 175.26 1gm1 h ASN 34 N 0.00 0.00 -2.30 3.17 -1.24 -1.90 -3.45 115.58 109.85 1gm1 h ASN 34 Ca 0.00 0.00 -0.44 0.00 0.71 0.00 0.00 56.30 56.57 1gm1 h ASN 34 Cb 0.82 0.00 0.04 0.00 0.73 0.00 0.00 38.32 39.91 1gm1 h ASN 34 CO 0.00 0.17 -0.11 0.42 -1.29 0.00 0.00 177.43 176.61 1gm1 s THR 35 N -3.15 3.09 -0.60 -3.57 -4.23 -1.18 -4.99 115.64 101.00 1gm1 s THR 35 Ca 0.06 -0.72 -0.07 0.00 -1.18 0.00 0.00 61.69 59.78 1gm1 s THR 35 Cb 0.06 -3.12 -0.18 0.00 1.34 0.00 0.00 72.50 70.60 1gm1 s THR 35 CO 0.69 -0.08 3.31 -1.54 -0.54 0.00 0.00 174.62 176.47 1gm1 n SER 36 N -2.15 6.57 -4.78 3.99 3.41 -1.26 -4.92 113.62 114.48 1gm1 n SER 36 Ca 0.06 -2.58 -0.37 0.00 -0.26 0.00 0.00 58.87 55.71 1gm1 n SER 36 Cb 0.59 -1.45 -0.06 0.00 -0.26 0.00 0.00 64.21 63.03 1gm1 n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gm1 s VAL 37 N 1.08 5.18 -0.34 -3.33 1.01 -1.26 -5.00 120.40 117.73 1gm1 s VAL 37 Ca 0.67 0.73 -0.29 0.00 0.00 0.00 0.00 61.98 63.10 1gm1 s VAL 37 Cb 0.27 -3.69 -0.01 0.00 0.00 0.00 0.00 36.38 32.96 1gm1 s VAL 37 CO -0.04 0.47 1.65 -0.60 0.00 0.00 0.00 175.10 176.58 1gm1 s ARG 38 N -0.25 3.47 0.00 2.72 3.52 -1.26 -1.59 118.95 125.56 1gm1 s ARG 38 Ca 0.21 1.29 0.00 0.00 -0.13 0.00 0.00 55.73 57.11 1gm1 s ARG 38 Cb -0.15 -4.12 0.00 0.00 -1.56 0.00 0.00 34.95 29.12 1gm1 s ARG 38 CO 0.09 -1.69 0.00 1.58 -0.81 0.00 0.00 175.30 174.47 1gm1 n HIS 39 N 9.58 0.00 -1.00 5.12 -0.00 -1.26 -4.44 115.22 123.22 1gm1 n HIS 39 Ca 0.20 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.38 1gm1 n HIS 39 Cb 0.47 -0.59 0.00 0.00 -0.12 0.00 0.00 29.99 29.75 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.46 0.00 0.00 176.34 177.21 1gm1 n GLY 40 N -1.88 0.25 3.94 1.57 0.00 -0.62 -4.99 105.19 103.46 1gm1 n GLY 40 Ca 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.72 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 -2.00 1.81 -0.20 -0.02 0.00 -1.26 -3.00 107.32 102.65 1gm1 s GLY 41 Ca 0.00 -1.30 -0.08 0.00 0.00 0.00 0.00 44.72 43.34 1gm1 s GLY 41 CO 0.00 -0.49 0.07 -0.42 0.00 0.00 0.00 173.10 172.27 1gm1 s ILE 42 N -3.93 4.77 0.13 0.90 -1.09 -1.26 -0.89 121.20 119.83 1gm1 s ILE 42 Ca 0.76 -0.03 0.05 0.00 -2.23 0.00 0.00 60.65 59.19 1gm1 s ILE 42 Cb -0.03 -3.17 -0.04 0.00 -1.58 0.00 0.00 42.46 37.64 1gm1 s ILE 42 CO 0.54 0.43 -0.12 -0.31 -1.23 0.00 0.00 174.94 174.24 1gm1 s TYR 43 N 0.66 1.28 -0.08 3.97 2.02 0.31 -1.07 117.35 124.45 1gm1 s TYR 43 Ca 0.04 -0.65 -0.30 0.00 -0.37 0.00 0.00 57.07 55.79 1gm1 s TYR 43 Cb -0.13 -0.67 -0.03 0.00 -0.40 0.00 0.00 41.96 40.74 1gm1 s TYR 43 CO 0.02 0.10 1.19 0.08 -1.57 0.00 0.00 175.55 175.36 1gm1 s VAL 44 N -2.68 4.31 -0.21 0.71 1.01 -0.68 -0.54 120.40 122.32 1gm1 s VAL 44 Ca 0.12 1.62 -0.14 0.00 0.00 0.00 0.00 61.98 63.58 1gm1 s VAL 44 Cb -0.02 -4.04 -0.19 0.00 0.00 0.00 0.00 36.38 32.13 1gm1 s VAL 44 CO 0.02 -0.02 0.09 1.17 0.00 0.00 0.00 175.10 176.35 1gm1 n LYS 45 N 5.41 0.63 -3.71 2.72 4.81 0.21 -1.42 118.16 126.80 1gm1 n LYS 45 Ca 0.11 0.39 -0.13 0.00 -0.87 0.00 0.00 58.31 57.81 1gm1 n LYS 45 Cb 0.46 -1.66 -0.07 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 -2.46 -0.88 -0.22 3.14 0.00 -0.98 -4.74 121.76 115.62 1gm1 s ALA 46 Ca -0.30 0.25 -0.05 0.00 0.00 0.00 0.00 51.96 51.87 1gm1 s ALA 46 Cb 0.08 0.26 -0.02 0.00 0.00 0.00 0.00 23.12 23.45 1gm1 s ALA 46 CO 0.62 -0.39 -0.02 -1.50 0.00 0.00 0.00 175.76 174.47 1gm1 s ILE 47 N -2.18 3.67 -0.05 0.00 1.10 -1.26 -0.83 121.20 121.64 1gm1 s ILE 47 Ca -0.07 -0.40 -0.30 0.00 -0.51 0.00 0.00 60.65 59.37 1gm1 s ILE 47 Cb -0.02 -2.67 -0.03 0.00 0.15 0.00 0.00 42.46 39.89 1gm1 s ILE 47 CO -0.01 0.41 1.14 -0.63 -2.11 0.00 0.00 174.94 173.75 1gm1 s ILE 48 N 1.32 4.38 0.35 2.00 -1.09 -0.17 -4.98 121.20 123.01 1gm1 s ILE 48 Ca 0.04 1.69 -0.29 0.00 -2.23 0.00 0.00 60.65 59.87 1gm1 s ILE 48 Cb -0.14 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.54 1gm1 s ILE 48 CO -0.00 0.03 1.52 -2.16 -1.23 0.00 0.00 174.94 173.09 1gm1 s PRO 49 N 1.93 4.12 -1.44 2.79 0.04 -1.26 -1.93 135.00 139.24 1gm1 s PRO 49 Ca 0.54 2.57 -0.10 0.00 0.04 0.00 0.00 61.00 64.05 1gm1 s PRO 49 Cb -0.24 -2.99 0.06 0.00 0.04 0.00 0.00 34.50 31.38 1gm1 s PRO 49 CO 0.23 -0.56 0.71 1.63 0.04 0.00 0.00 177.00 179.04 1gm1 n LYS 50 N 1.02 -4.59 -2.35 4.56 5.02 -1.26 -5.03 118.16 115.52 1gm1 n LYS 50 Ca 0.03 0.63 -0.28 0.00 -2.02 0.00 0.00 58.31 56.66 1gm1 n LYS 50 Cb 0.39 -5.45 0.01 0.00 -0.02 0.00 0.00 35.03 29.96 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 -2.93 1.56 0.13 0.72 0.00 -0.81 -4.98 107.32 101.01 1gm1 s GLY 51 Ca 0.48 -0.40 -0.28 0.00 0.00 0.00 0.00 44.72 44.52 1gm1 s GLY 51 CO 0.59 -0.18 1.59 0.00 0.00 0.00 0.00 173.10 175.10 1gm1 h ALA 52 N -0.02 -0.52 -0.17 3.20 0.00 -1.12 -1.17 119.26 119.46 1gm1 h ALA 52 Ca -0.46 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.43 1gm1 h ALA 52 Cb 1.21 0.72 -0.01 0.00 0.00 0.00 0.00 17.79 19.71 1gm1 h ALA 52 CO 0.62 -0.88 0.04 0.00 0.00 0.00 0.00 179.25 179.02 1gm1 h ALA 53 N 0.21 0.22 -0.47 0.00 0.00 -0.56 -1.18 119.26 117.49 1gm1 h ALA 53 Ca 0.08 -0.15 0.04 0.00 0.00 0.00 0.00 54.91 54.88 1gm1 h ALA 53 Cb 0.60 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.27 1gm1 h ALA 53 CO -0.37 -0.13 -0.30 1.49 0.00 0.00 0.00 179.25 179.94 1gm1 h GLU 54 N 0.07 -0.03 -0.26 0.00 4.22 -1.65 -3.15 114.58 113.79 1gm1 h GLU 54 Ca 0.05 0.00 -0.10 0.00 0.08 0.00 0.00 59.36 59.39 1gm1 h GLU 54 Cb 0.27 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1gm1 h GLU 54 CO 0.00 -0.02 -0.27 1.03 -2.18 0.00 0.00 179.01 177.57 1gm1 h SER 55 N -0.03 0.51 0.16 1.04 0.87 -1.05 -3.29 113.55 111.77 1gm1 h SER 55 Ca 0.08 -0.18 -0.00 0.00 -1.23 0.00 0.00 61.79 60.45 1gm1 h SER 55 Cb 0.22 -0.14 -0.01 0.00 -0.44 0.00 0.00 62.40 62.03 1gm1 h SER 55 CO -0.46 0.77 -0.24 -0.78 -0.53 0.00 0.00 176.83 175.59 1gm1 h ASP 56 N 0.44 -0.68 0.00 6.23 1.82 -1.17 -3.48 116.42 119.57 1gm1 h ASP 56 Ca 0.06 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.76 1gm1 h ASP 56 Cb 0.71 0.24 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1gm1 h ASP 56 CO 0.05 -0.29 0.00 0.61 -1.61 0.00 0.00 179.24 178.00 1gm1 n GLY 57 N -1.25 1.12 0.20 -0.78 0.00 -1.21 -4.95 105.19 98.32 1gm1 n GLY 57 Ca -0.05 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.05 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 1.33 0.00 -5.65 1.61 3.08 -1.91 -3.43 114.38 109.40 1gm1 h ARG 58 Ca 0.00 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.39 1gm1 h ARG 58 Cb 0.00 0.00 -0.15 0.00 0.08 0.00 0.00 29.97 29.90 1gm1 h ARG 58 CO 0.00 0.30 -0.59 0.42 -1.07 0.00 0.00 179.97 179.03 1gm1 s ILE 59 N -3.56 4.55 0.10 2.04 1.01 -1.26 -4.93 121.20 119.14 1gm1 s ILE 59 Ca 0.01 -0.14 -0.18 0.00 0.00 0.00 0.00 60.65 60.34 1gm1 s ILE 59 Cb 0.10 -2.97 0.04 0.00 0.01 0.00 0.00 42.46 39.64 1gm1 s ILE 59 CO 0.67 0.55 0.43 -2.28 0.00 0.00 0.00 174.94 174.30 1gm1 s HIS 60 N -0.40 -0.26 -0.10 3.97 2.46 -1.26 -4.77 115.29 114.93 1gm1 s HIS 60 Ca 0.08 0.05 -0.36 0.00 0.47 0.00 0.00 55.06 55.30 1gm1 s HIS 60 Cb -0.12 0.27 -0.14 0.00 -0.13 0.00 0.00 32.58 32.46 1gm1 s HIS 60 CO 0.02 -0.67 1.72 1.17 -2.47 0.00 0.00 174.74 174.51 1gm1 n LYS 61 N -0.00 1.69 -0.08 2.88 4.81 -1.26 -2.18 118.16 124.02 1gm1 n LYS 61 Ca -0.17 0.62 0.00 0.00 -0.87 0.00 0.00 58.31 57.89 1gm1 n LYS 61 Cb 0.63 -2.37 0.00 0.00 0.02 0.00 0.00 35.03 33.30 1gm1 n LYS 61 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1gm1 n GLY 62 N 3.95 0.55 3.91 3.14 0.00 -0.51 -4.91 105.19 111.31 1gm1 n GLY 62 Ca 0.23 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1gm1 n GLY 62 CO 0.00 0.00 0.00 0.51 0.00 0.00 0.00 173.32 173.83 1gm1 s ASP 63 N -2.64 4.20 -0.14 1.61 1.47 -0.93 -4.54 116.67 115.70 1gm1 s ASP 63 Ca 0.00 0.65 0.03 0.00 1.18 0.00 0.00 52.55 54.41 1gm1 s ASP 63 Cb 0.00 -1.04 0.01 0.00 -0.34 0.00 0.00 42.92 41.54 1gm1 s ASP 63 CO 0.00 -2.09 -0.22 -0.60 0.68 0.00 0.00 175.17 172.94 1gm1 s ARG 64 N -5.64 3.04 -0.07 2.11 3.52 -0.99 -1.69 118.95 119.23 1gm1 s ARG 64 Ca 0.65 -0.85 -0.27 0.00 -0.13 0.00 0.00 55.73 55.12 1gm1 s ARG 64 Cb -0.09 -2.43 -0.03 0.00 -1.56 0.00 0.00 34.95 30.84 1gm1 s ARG 64 CO 0.50 0.01 0.88 0.08 -0.81 0.00 0.00 175.30 175.96 1gm1 s VAL 65 N 0.75 4.90 -0.27 7.11 1.01 -0.23 -1.14 120.40 132.53 1gm1 s VAL 65 Ca -0.09 1.81 -0.09 0.00 0.00 0.00 0.00 61.98 63.62 1gm1 s VAL 65 Cb -0.16 -4.21 -0.14 0.00 0.00 0.00 0.00 36.38 31.87 1gm1 s VAL 65 CO -0.00 0.13 -0.28 0.18 0.00 0.00 0.00 175.10 175.12 1gm1 n LEU 66 N 4.35 2.31 -3.72 3.92 4.32 -0.37 -4.48 117.00 123.33 1gm1 n LEU 66 Ca 0.04 0.18 -0.12 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.50 -0.86 -0.10 0.00 -1.62 0.00 0.00 43.42 41.34 1gm1 n LEU 66 CO 0.50 0.69 0.09 0.00 -1.22 0.00 0.00 177.39 177.45 1gm1 s ALA 67 N -2.51 -1.06 -0.29 -1.18 0.00 -0.63 -1.25 121.76 114.84 1gm1 s ALA 67 Ca -0.37 1.32 -0.09 0.00 0.00 0.00 0.00 51.96 52.82 1gm1 s ALA 67 Cb 0.12 -0.78 -0.02 0.00 0.00 0.00 0.00 23.12 22.45 1gm1 s ALA 67 CO 0.54 -0.22 0.14 0.08 0.00 0.00 0.00 175.76 176.29 1gm1 s VAL 68 N 0.63 4.60 -1.40 0.00 1.01 0.13 -1.05 120.40 124.32 1gm1 s VAL 68 Ca -0.03 -0.32 -0.09 0.00 0.00 0.00 0.00 61.98 61.54 1gm1 s VAL 68 Cb -0.05 -3.29 0.02 0.00 0.00 0.00 0.00 36.38 33.06 1gm1 s VAL 68 CO -0.04 0.14 1.11 -3.20 0.00 0.00 0.00 175.10 173.11 1gm1 n ASN 69 N 4.98 -6.24 0.00 3.32 5.15 -0.22 -1.35 115.26 120.90 1gm1 n ASN 69 Ca -0.14 -0.53 0.00 0.00 -0.60 0.00 0.00 54.58 53.30 1gm1 n ASN 69 Cb 0.50 -4.93 0.00 0.00 -0.53 0.00 0.00 39.78 34.82 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 -1.94 2.73 3.62 8.20 0.00 -1.21 -4.99 105.19 111.59 1gm1 n GLY 70 Ca -0.00 -0.22 -0.42 0.00 0.00 0.00 0.00 46.02 45.39 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 -1.62 4.83 0.25 1.61 1.01 -0.45 -4.94 120.40 121.08 1gm1 s VAL 71 Ca 0.00 1.19 -0.30 0.00 0.00 0.00 0.00 61.98 62.87 1gm1 s VAL 71 Cb 0.00 -4.11 -0.09 0.00 0.00 0.00 0.00 36.38 32.18 1gm1 s VAL 71 CO 0.00 -0.20 1.04 -0.55 0.00 0.00 0.00 175.10 175.40 1gm1 s SER 72 N 1.58 7.40 -0.13 3.32 0.15 -1.26 -0.69 113.70 124.07 1gm1 s SER 72 Ca 0.31 2.13 0.06 0.00 0.70 0.00 0.00 55.95 59.15 1gm1 s SER 72 Cb -0.14 -2.62 0.40 0.00 -1.71 0.00 0.00 66.02 61.94 1gm1 s SER 72 CO 0.11 -0.05 1.14 0.18 1.20 0.00 0.00 173.24 175.83 1gm1 n LEU 73 N 1.48 3.45 -4.65 3.45 4.77 -0.38 -4.93 117.00 120.20 1gm1 n LEU 73 Ca -0.01 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.79 1gm1 n LEU 73 Cb 0.46 -0.60 -0.03 0.00 -2.33 0.00 0.00 43.42 40.92 1gm1 n LEU 73 CO 0.53 0.46 1.59 -1.61 -1.33 0.00 0.00 177.39 177.03 1gm1 s GLU 74 N -1.84 3.93 0.00 3.23 0.41 -1.26 -1.94 118.70 121.22 1gm1 s GLU 74 Ca 0.27 2.35 0.00 0.00 -0.41 0.00 0.00 54.97 57.18 1gm1 s GLU 74 Cb 0.21 -4.16 0.00 0.00 -1.78 0.00 0.00 34.13 28.39 1gm1 s GLU 74 CO 0.08 -1.18 0.00 0.41 -0.49 0.00 0.00 175.26 174.07 1gm1 n GLY 75 N 4.71 0.62 3.79 -1.39 0.00 -1.26 -5.05 105.19 106.61 1gm1 n GLY 75 Ca 0.21 -0.07 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 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 -2.00 2.51 0.59 4.61 0.00 -0.82 -4.79 121.76 121.86 1gm1 s ALA 76 Ca 0.00 0.36 -0.01 0.00 0.00 0.00 0.00 51.96 52.31 1gm1 s ALA 76 Cb 0.00 -3.26 0.04 0.00 0.00 0.00 0.00 23.12 19.90 1gm1 s ALA 76 CO 0.00 -1.29 0.84 0.95 0.00 0.00 0.00 175.76 176.26 1gm1 s THR 77 N -2.64 2.56 0.12 0.00 -4.23 -1.26 -1.57 115.64 108.62 1gm1 s THR 77 Ca 0.63 -0.56 -0.27 0.00 -1.18 0.00 0.00 61.69 60.30 1gm1 s THR 77 Cb -0.17 -3.00 -0.07 0.00 1.34 0.00 0.00 72.50 70.60 1gm1 s THR 77 CO 0.47 0.00 1.62 -0.74 -0.54 0.00 0.00 174.62 175.43 1gm1 h HIS 78 N -0.11 -0.84 -0.65 3.99 2.76 -1.88 -2.84 115.15 115.59 1gm1 h HIS 78 Ca -0.43 0.02 0.06 0.00 -2.20 0.00 0.00 60.37 57.83 1gm1 h HIS 78 Cb 1.30 0.36 -0.06 0.00 1.55 0.00 0.00 27.41 30.57 1gm1 h HIS 78 CO 0.36 -0.41 0.35 -0.22 -1.30 0.00 0.00 177.93 176.71 1gm1 h LYS 79 N -0.50 0.62 -0.37 5.26 3.64 -1.96 -2.84 116.57 120.42 1gm1 h LYS 79 Ca 0.04 -0.04 -0.00 0.00 -1.27 0.00 0.00 60.65 59.38 1gm1 h LYS 79 Cb 0.55 -0.14 -0.02 0.00 -0.41 0.00 0.00 32.23 32.21 1gm1 h LYS 79 CO -0.22 0.41 0.22 0.37 -2.27 0.00 0.00 179.45 177.96 1gm1 h GLN 80 N 0.64 0.51 -0.26 1.90 4.15 -1.93 0.89 115.11 121.01 1gm1 h GLN 80 Ca 0.30 -0.05 -0.05 0.00 0.77 0.00 0.00 58.65 59.62 1gm1 h GLN 80 Cb 0.21 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 1gm1 h GLN 80 CO -0.19 0.39 -0.05 0.00 -1.93 0.00 0.00 178.83 177.05 1gm1 h ALA 81 N 1.09 1.44 -0.07 3.38 0.00 -1.51 -1.06 119.26 122.52 1gm1 h ALA 81 Ca 0.13 -0.20 -0.02 0.00 0.00 0.00 0.00 54.91 54.82 1gm1 h ALA 81 Cb 0.02 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.69 1gm1 h ALA 81 CO -0.02 0.39 -0.05 0.28 0.00 0.00 0.00 179.25 179.85 1gm1 h VAL 82 N 0.39 1.35 -0.79 0.00 2.07 -1.11 0.95 116.25 119.10 1gm1 h VAL 82 Ca 0.08 -1.13 0.02 0.00 0.82 0.00 0.00 66.70 66.49 1gm1 h VAL 82 Cb 0.34 1.95 -0.05 0.00 -1.52 0.00 0.00 31.29 32.01 1gm1 h VAL 82 CO 0.01 0.31 0.51 -0.33 0.02 0.00 0.00 177.57 178.10 1gm1 h GLU 83 N -0.24 0.98 -0.17 1.57 5.08 -0.75 -0.36 114.58 120.69 1gm1 h GLU 83 Ca 0.01 -0.06 -0.00 0.00 -1.00 0.00 0.00 59.36 58.31 1gm1 h GLU 83 Cb 0.53 -0.22 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1gm1 h GLU 83 CO 0.01 0.65 0.09 1.15 -1.00 0.00 0.00 179.01 179.91 1gm1 h THR 84 N 1.01 1.12 -0.47 1.13 2.02 -1.11 -1.36 112.91 115.25 1gm1 h THR 84 Ca 0.31 -0.33 -0.08 0.00 0.77 0.00 0.00 66.41 67.08 1gm1 h THR 84 Cb -0.03 1.02 -0.02 0.00 -1.74 0.00 0.00 68.15 67.38 1gm1 h THR 84 CO -0.10 0.11 -0.03 -0.07 0.37 0.00 0.00 175.52 175.80 1gm1 h LEU 85 N 0.16 0.77 -1.03 2.58 3.38 -0.59 -2.82 115.31 117.76 1gm1 h LEU 85 Ca 0.06 -0.20 -0.10 0.00 0.09 0.00 0.00 57.88 57.73 1gm1 h LEU 85 Cb 0.10 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 1gm1 h LEU 85 CO -0.01 0.85 -0.41 0.03 0.09 0.00 0.00 178.44 178.99 1gm1 h ARG 86 N 0.74 0.15 -1.94 1.13 -0.00 -0.95 -3.01 114.38 110.50 1gm1 h ARG 86 Ca 0.14 -0.07 -0.42 0.00 -0.50 0.00 0.00 59.98 59.13 1gm1 h ARG 86 Cb 0.49 -0.00 -0.15 0.00 0.00 0.00 0.00 29.97 30.31 1gm1 h ARG 86 CO 0.02 0.54 0.25 -1.71 0.00 0.00 0.00 179.97 179.08 1gm1 n ASN 87 N -4.03 6.24 -4.94 7.04 5.15 -0.52 -4.87 115.26 119.32 1gm1 n ASN 87 Ca -0.02 -3.05 -0.27 0.00 -0.60 0.00 0.00 54.58 50.65 1gm1 n ASN 87 Cb 0.46 -1.24 -0.03 0.00 -0.53 0.00 0.00 39.78 38.44 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 -1.65 5.28 0.00 -0.44 -4.23 -1.14 -4.94 115.64 108.52 1gm1 s THR 88 Ca 0.56 -0.55 0.00 0.00 -1.18 0.00 0.00 61.69 60.52 1gm1 s THR 88 Cb 0.35 -3.73 0.00 0.00 1.34 0.00 0.00 72.50 70.46 1gm1 s THR 88 CO -0.15 -0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.43 1gm1 n GLY 89 N -0.54 0.38 0.07 3.99 0.00 -1.26 -5.01 105.19 102.83 1gm1 n GLY 89 Ca -0.06 -1.74 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 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 0.09 -5.42 1.61 -0.00 -1.99 -3.42 115.11 105.98 1gm1 h GLN 90 Ca 0.00 -0.04 -0.62 0.00 -0.00 0.00 0.00 58.65 57.99 1gm1 h GLN 90 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 27.48 27.38 1gm1 h GLN 90 CO 0.00 0.53 -0.45 0.08 0.00 0.00 0.00 178.83 178.99 1gm1 s VAL 91 N -4.33 5.40 -0.14 2.39 1.01 -1.26 -1.93 120.40 121.54 1gm1 s VAL 91 Ca -0.15 0.27 0.02 0.00 0.00 0.00 0.00 61.98 62.12 1gm1 s VAL 91 Cb 0.03 -3.49 0.01 0.00 0.00 0.00 0.00 36.38 32.93 1gm1 s VAL 91 CO 0.69 0.48 -0.22 -0.69 0.00 0.00 0.00 175.10 175.37 1gm1 s VAL 92 N 0.00 2.03 -0.68 2.92 1.01 0.16 -4.97 120.40 120.87 1gm1 s VAL 92 Ca 0.12 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.12 1gm1 s VAL 92 Cb -0.12 -1.80 0.17 0.00 0.00 0.00 0.00 36.38 34.64 1gm1 s VAL 92 CO 0.01 0.54 0.49 -1.00 0.00 0.00 0.00 175.10 175.15 1gm1 s HIS 93 N 0.85 3.48 0.09 5.22 3.76 -1.26 -1.03 115.29 126.41 1gm1 s HIS 93 Ca -0.06 -2.89 0.09 0.00 -0.15 0.00 0.00 55.06 52.04 1gm1 s HIS 93 Cb -0.15 -3.12 -0.03 0.00 1.11 0.00 0.00 32.58 30.38 1gm1 s HIS 93 CO -0.02 -0.78 -0.23 -0.48 -0.85 0.00 0.00 174.74 172.38 1gm1 s LEU 94 N -0.48 2.26 -0.18 0.89 0.05 -0.11 -1.05 118.68 120.06 1gm1 s LEU 94 Ca 0.20 -0.65 -0.06 0.00 0.05 0.00 0.00 54.13 53.66 1gm1 s LEU 94 Cb -0.17 -1.01 -0.03 0.00 -2.05 0.00 0.00 46.19 42.93 1gm1 s LEU 94 CO -0.06 0.12 0.03 -0.22 -0.55 0.00 0.00 176.35 175.68 1gm1 s LEU 95 N -1.71 3.57 0.05 1.48 2.96 -0.22 0.30 118.68 125.12 1gm1 s LEU 95 Ca 0.09 -0.03 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1gm1 s LEU 95 Cb -0.10 -1.90 -0.04 0.00 0.50 0.00 0.00 46.19 44.66 1gm1 s LEU 95 CO 0.04 0.14 -0.02 -1.48 -1.32 0.00 0.00 176.35 173.71 1gm1 s LEU 96 N 0.57 2.40 0.16 -0.68 -0.00 -0.59 -1.24 118.68 119.30 1gm1 s LEU 96 Ca 0.01 -0.92 -0.04 0.00 -0.00 0.00 0.00 54.13 53.18 1gm1 s LEU 96 Cb -0.13 0.23 -0.05 0.00 -0.00 0.00 0.00 46.19 46.23 1gm1 s LEU 96 CO 0.02 -0.57 0.39 -1.61 -0.00 0.00 0.00 176.35 174.58 1gm1 s GLU 97 N -3.59 3.60 0.54 1.48 2.02 -0.30 -1.18 118.70 121.27 1gm1 s GLU 97 Ca 0.04 -0.12 -0.18 0.00 0.02 0.00 0.00 54.97 54.73 1gm1 s GLU 97 Cb 0.06 -2.83 -0.06 0.00 0.10 0.00 0.00 34.13 31.39 1gm1 s GLU 97 CO -0.09 0.44 1.03 0.21 0.02 0.00 0.00 175.26 176.88 1gm1 s LYS 98 N -2.82 3.64 0.34 1.61 2.47 -0.45 -2.34 119.74 122.19 1gm1 s LYS 98 Ca 0.41 1.21 0.09 0.00 -1.56 0.00 0.00 55.97 56.11 1gm1 s LYS 98 Cb -0.12 -2.08 -0.05 0.00 -1.46 0.00 0.00 37.83 34.12 1gm1 s LYS 98 CO 0.26 -0.55 0.02 0.20 0.16 0.00 0.00 175.35 175.44 1gm1 s GLY 99 N -2.55 2.05 1.10 5.54 0.00 -1.26 -4.06 107.32 108.14 1gm1 s GLY 99 Ca 0.64 -1.95 -0.18 0.00 0.00 0.00 0.00 44.72 43.23 1gm1 s GLY 99 CO 0.29 -1.89 1.25 -0.86 0.00 0.00 0.00 173.10 171.89 1gm1 s GLN 100 N -3.72 -0.45 0.17 2.90 -2.07 -1.26 -4.69 119.66 110.54 1gm1 s GLN 100 Ca 0.35 -0.37 -0.18 0.00 -1.82 0.00 0.00 55.36 53.34 1gm1 s GLN 100 Cb -0.00 -1.71 -0.08 0.00 -1.09 0.00 0.00 33.01 30.13 1gm1 s GLN 100 CO 0.20 -3.15 0.65 0.14 -1.32 0.00 0.00 175.29 171.81 1gm1 s VAL 101 N -3.55 4.66 -2.00 3.63 -7.23 -1.26 -4.92 120.40 109.73 1gm1 s VAL 101 Ca 0.74 1.17 0.17 0.00 -1.81 0.00 0.00 61.98 62.25 1gm1 s VAL 101 Cb -0.05 -3.85 0.48 0.00 0.56 0.00 0.00 36.38 33.52 1gm1 s VAL 101 CO 0.55 0.29 1.41 -2.65 -0.31 0.00 0.00 175.10 174.39