#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 -2.43 -0.88 1.97 -0.02 -1.26 -4.71 135.00 127.68 1gm1 n PRO 10 Ca 0.00 -0.71 0.00 0.00 -2.02 0.00 0.00 63.50 60.77 1gm1 n PRO 10 Cb 0.00 -0.75 0.00 0.00 -0.02 0.00 0.00 33.50 32.73 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 -1.34 1.17 3.97 -1.23 0.00 -0.97 -5.04 105.19 101.74 1gm1 n GLY 11 Ca 0.06 -0.43 -0.23 0.00 0.00 0.00 0.00 46.02 45.42 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 -2.47 4.79 0.34 1.61 2.15 -1.26 -4.82 116.67 117.00 1gm1 s ASP 12 Ca 0.00 -0.02 0.09 0.00 0.43 0.00 0.00 52.55 53.05 1gm1 s ASP 12 Cb 0.00 -0.62 -0.06 0.00 -0.30 0.00 0.00 42.92 41.94 1gm1 s ASP 12 CO 0.00 -1.54 -0.09 0.42 -0.17 0.00 0.00 175.17 173.79 1gm1 s THR 13 N -3.03 2.16 -0.06 1.71 -4.23 -1.26 0.19 115.64 111.11 1gm1 s THR 13 Ca 0.61 -2.19 -0.10 0.00 -1.18 0.00 0.00 61.69 58.83 1gm1 s THR 13 Cb -0.09 -2.63 0.02 0.00 1.34 0.00 0.00 72.50 71.14 1gm1 s THR 13 CO 0.42 -0.21 0.26 -0.36 -0.54 0.00 0.00 174.62 174.19 1gm1 s PHE 14 N -2.66 -0.20 -0.09 3.99 0.40 -0.43 -4.91 117.98 114.08 1gm1 s PHE 14 Ca 0.32 0.45 -0.21 0.00 -0.60 0.00 0.00 56.93 56.89 1gm1 s PHE 14 Cb 0.03 0.07 -0.04 0.00 0.51 0.00 0.00 43.02 43.59 1gm1 s PHE 14 CO 0.16 -0.23 0.60 -1.21 0.70 0.00 0.00 175.22 175.24 1gm1 s GLU 15 N -0.51 4.39 -0.25 0.44 8.01 -1.26 -1.69 118.70 127.83 1gm1 s GLU 15 Ca -0.06 0.69 0.01 0.00 0.01 0.00 0.00 54.97 55.62 1gm1 s GLU 15 Cb -0.04 -3.44 0.04 0.00 -4.31 0.00 0.00 34.13 26.39 1gm1 s GLU 15 CO 0.02 0.12 -0.11 0.08 0.01 0.00 0.00 175.26 175.38 1gm1 s VAL 16 N 0.68 2.37 -0.45 2.63 1.01 0.19 -4.99 120.40 121.84 1gm1 s VAL 16 Ca 0.32 -1.34 -0.19 0.00 0.00 0.00 0.00 61.98 60.77 1gm1 s VAL 16 Cb -0.17 -2.27 0.04 0.00 0.00 0.00 0.00 36.38 33.98 1gm1 s VAL 16 CO 0.15 0.13 0.54 -1.61 0.00 0.00 0.00 175.10 174.30 1gm1 s GLU 17 N 1.20 3.14 -0.09 2.72 2.02 -1.26 0.06 118.70 126.48 1gm1 s GLU 17 Ca -0.04 -0.73 0.03 0.00 0.02 0.00 0.00 54.97 54.25 1gm1 s GLU 17 Cb -0.18 -4.01 0.01 0.00 0.10 0.00 0.00 34.13 30.05 1gm1 s GLU 17 CO -0.06 -1.01 -0.19 -1.17 0.02 0.00 0.00 175.26 172.85 1gm1 s LEU 18 N 2.43 1.89 -0.14 1.80 2.96 0.51 -4.97 118.68 123.16 1gm1 s LEU 18 Ca 0.15 -0.46 -0.07 0.00 -0.22 0.00 0.00 54.13 53.53 1gm1 s LEU 18 Cb -0.17 -1.17 -0.04 0.00 0.50 0.00 0.00 46.19 45.30 1gm1 s LEU 18 CO 0.14 0.09 0.12 0.00 -1.32 0.00 0.00 176.35 175.38 1gm1 s ALA 19 N 0.60 3.75 0.24 5.97 0.00 -1.26 0.27 121.76 131.32 1gm1 s ALA 19 Ca -0.14 -0.67 -0.30 0.00 0.00 0.00 0.00 51.96 50.85 1gm1 s ALA 19 Cb -0.17 -1.95 -0.09 0.00 0.00 0.00 0.00 23.12 20.91 1gm1 s ALA 19 CO 0.04 0.50 1.29 -1.59 0.00 0.00 0.00 175.76 176.01 1gm1 s LYS 20 N -0.66 4.40 -0.84 0.00 -2.85 -0.86 -4.88 119.74 114.06 1gm1 s LYS 20 Ca 0.13 2.07 -0.19 0.00 -1.00 0.00 0.00 55.97 56.97 1gm1 s LYS 20 Cb -0.12 -3.17 0.12 0.00 -2.06 0.00 0.00 37.83 32.61 1gm1 s LYS 20 CO 0.02 -0.20 1.04 0.95 0.10 0.00 0.00 175.35 177.27 1gm1 s THR 21 N -0.29 4.68 -1.42 3.79 -4.23 -0.47 -4.33 115.64 113.37 1gm1 s THR 21 Ca 0.54 -1.29 -0.10 0.00 -1.18 0.00 0.00 61.69 59.66 1gm1 s THR 21 Cb -0.37 -4.72 0.04 0.00 1.34 0.00 0.00 72.50 68.79 1gm1 s THR 21 CO 0.42 -1.45 1.03 -0.67 -0.54 0.00 0.00 174.62 173.41 1gm1 n ASP 22 N 6.70 -4.78 0.00 3.99 2.03 -1.26 -1.59 116.55 121.63 1gm1 n ASP 22 Ca 0.15 -0.69 0.00 0.00 0.52 0.00 0.00 54.79 54.77 1gm1 n ASP 22 Cb 0.48 -4.42 0.00 0.00 -0.72 0.00 0.00 41.12 36.46 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 -1.76 3.21 3.51 0.27 0.00 -1.26 -5.06 105.19 104.10 1gm1 n GLY 23 Ca -0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.56 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 -1.12 6.27 -0.55 1.61 0.15 -0.62 -4.91 113.70 114.53 1gm1 s SER 24 Ca 0.00 -0.44 0.07 0.00 0.70 0.00 0.00 55.95 56.28 1gm1 s SER 24 Cb 0.00 -2.27 0.30 0.00 -1.71 0.00 0.00 66.02 62.34 1gm1 s SER 24 CO 0.00 -0.66 0.79 -0.11 1.20 0.00 0.00 173.24 174.46 1gm1 n LEU 25 N 5.92 3.15 -4.16 3.45 0.00 -1.26 -1.37 117.00 122.73 1gm1 n LEU 25 Ca -0.04 -5.38 -0.43 0.00 0.00 0.00 0.00 56.01 50.16 1gm1 n LEU 25 Cb 0.48 -0.25 0.00 0.00 0.00 0.00 0.00 43.42 43.64 1gm1 n LEU 25 CO 0.49 2.21 2.19 0.61 0.00 0.00 0.00 177.39 182.89 1gm1 n GLY 26 N 0.42 3.64 3.94 -3.96 0.00 -1.26 -4.92 105.19 103.05 1gm1 n GLY 26 Ca 0.28 -1.65 -0.25 0.00 0.00 0.00 0.00 46.02 44.41 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 3.09 5.21 -0.08 -0.61 -4.36 -1.26 -2.59 121.20 120.60 1gm1 s ILE 27 Ca 0.48 -0.82 0.02 0.00 -0.26 0.00 0.00 60.65 60.06 1gm1 s ILE 27 Cb 0.08 -3.73 0.02 0.00 1.25 0.00 0.00 42.46 40.08 1gm1 s ILE 27 CO -0.00 -0.17 -0.11 -0.55 0.24 0.00 0.00 174.94 174.35 1gm1 s SER 28 N -3.45 1.84 0.38 4.36 0.15 -0.53 -4.93 113.70 111.53 1gm1 s SER 28 Ca 0.34 -0.30 0.08 0.00 0.70 0.00 0.00 55.95 56.77 1gm1 s SER 28 Cb -0.10 -0.82 -0.07 0.00 -1.71 0.00 0.00 66.02 63.31 1gm1 s SER 28 CO 0.28 -0.01 -0.02 0.68 1.20 0.00 0.00 173.24 175.37 1gm1 s VAL 29 N 0.92 2.04 0.20 4.45 -7.23 -1.26 -0.53 120.40 118.98 1gm1 s VAL 29 Ca -0.10 -2.07 -0.02 0.00 -1.81 0.00 0.00 61.98 57.98 1gm1 s VAL 29 Cb -0.15 -2.86 0.01 0.00 0.56 0.00 0.00 36.38 33.94 1gm1 s VAL 29 CO 0.01 -0.07 0.29 1.07 -0.31 0.00 0.00 175.10 176.08 1gm1 n THR 30 N -0.89 0.00 0.00 5.32 5.66 0.84 -4.66 114.28 120.54 1gm1 n THR 30 Ca -0.05 -0.93 0.00 0.00 -3.05 0.00 0.00 64.05 60.02 1gm1 n THR 30 Cb 0.66 0.60 0.00 0.00 -1.55 0.00 0.00 70.33 70.03 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 -0.32 -0.25 0.00 1.09 0.00 -1.26 -0.72 105.19 103.74 1gm1 n GLY 31 Ca -0.00 -2.24 0.00 0.00 0.00 0.00 0.00 46.02 43.77 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 2.61 0.32 -0.02 0.00 0.16 -3.34 105.19 104.91 1gm1 n GLY 32 Ca 0.00 -1.96 0.03 0.00 0.00 0.00 0.00 46.02 44.09 1gm1 n GLY 32 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1gm1 h VAL 33 N 0.00 1.12 0.00 1.61 2.07 -1.41 -2.98 116.25 116.66 1gm1 h VAL 33 Ca 0.00 -0.22 -0.15 0.00 0.82 0.00 0.00 66.70 67.15 1gm1 h VAL 33 Cb 0.00 0.43 -0.02 0.00 -1.52 0.00 0.00 31.29 30.17 1gm1 h VAL 33 CO 0.00 0.12 -0.72 -1.13 0.02 0.00 0.00 177.57 175.86 1gm1 h ASN 34 N 0.64 0.00 -2.54 0.57 -0.73 -1.89 -3.46 115.58 108.17 1gm1 h ASN 34 Ca 0.17 0.00 -0.52 0.00 1.87 0.00 0.00 56.30 57.82 1gm1 h ASN 34 Cb -0.07 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.50 1gm1 h ASN 34 CO -0.04 0.72 -0.43 0.42 -0.37 0.00 0.00 177.43 177.74 1gm1 s THR 35 N -3.01 5.28 -0.10 -3.57 -4.23 -1.13 -5.00 115.64 103.89 1gm1 s THR 35 Ca 0.02 -0.69 -0.05 0.00 -1.18 0.00 0.00 61.69 59.78 1gm1 s THR 35 Cb 0.10 -3.77 -0.19 0.00 1.34 0.00 0.00 72.50 69.98 1gm1 s THR 35 CO 0.77 -0.17 3.40 -1.20 -0.54 0.00 0.00 174.62 176.88 1gm1 n SER 36 N -0.79 5.51 -0.95 3.99 7.64 -1.26 -4.57 113.62 123.18 1gm1 n SER 36 Ca -0.07 -2.63 0.08 0.00 1.01 0.00 0.00 58.87 57.26 1gm1 n SER 36 Cb 0.55 -1.37 0.22 0.00 -1.01 0.00 0.00 64.21 62.60 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gm1 n VAL 37 N 2.12 0.74 -0.93 0.44 0.24 -1.26 -4.87 118.33 114.81 1gm1 n VAL 37 Ca 0.43 -0.68 0.00 0.00 -2.04 0.00 0.00 64.34 62.05 1gm1 n VAL 37 Cb 0.83 0.29 0.00 0.00 -1.47 0.00 0.00 33.84 33.49 1gm1 n VAL 37 CO 0.00 0.00 0.00 -1.14 -2.14 0.00 0.00 176.83 173.55 1gm1 n ARG 38 N 0.92 0.00 0.00 7.34 0.63 -1.26 -4.66 116.66 119.63 1gm1 n ARG 38 Ca 0.17 0.31 0.00 0.00 -0.92 0.00 0.00 57.85 57.41 1gm1 n ARG 38 Cb 0.45 -0.93 0.00 0.00 0.45 0.00 0.00 32.46 32.43 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 -0.51 0.00 -3.77 -0.14 -0.00 -1.26 -4.86 115.22 104.68 1gm1 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1gm1 n HIS 39 Cb 0.20 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.19 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 -0.46 0.00 1.57 0.00 -1.26 -4.56 105.19 100.49 1gm1 n GLY 40 Ca 0.00 -1.17 0.00 0.00 0.00 0.00 0.00 46.02 44.85 1gm1 n GLY 40 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLY 41 N 0.00 -0.32 3.68 -0.02 0.00 -1.26 -4.67 105.19 102.60 1gm1 n GLY 41 Ca 0.00 -1.46 -0.36 0.00 0.00 0.00 0.00 46.02 44.19 1gm1 n GLY 41 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1gm1 s ILE 42 N -2.41 5.36 0.12 -0.61 -1.09 -1.26 -0.67 121.20 120.63 1gm1 s ILE 42 Ca 0.00 0.23 0.07 0.00 -2.23 0.00 0.00 60.65 58.72 1gm1 s ILE 42 Cb 0.00 -3.51 -0.04 0.00 -1.58 0.00 0.00 42.46 37.33 1gm1 s ILE 42 CO 0.00 0.36 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.59 1gm1 s TYR 43 N 0.89 1.60 -0.05 3.97 2.02 0.10 -0.54 117.35 125.35 1gm1 s TYR 43 Ca 0.09 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.01 1gm1 s TYR 43 Cb -0.13 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.55 1gm1 s TYR 43 CO 0.03 0.20 1.15 0.08 -1.57 0.00 0.00 175.55 175.44 1gm1 s VAL 44 N -1.68 4.36 -0.23 0.71 1.01 0.54 -0.12 120.40 125.00 1gm1 s VAL 44 Ca 0.08 1.68 0.01 0.00 0.00 0.00 0.00 61.98 63.75 1gm1 s VAL 44 Cb -0.07 -4.08 -0.19 0.00 0.00 0.00 0.00 36.38 32.03 1gm1 s VAL 44 CO 0.04 0.02 -0.09 1.17 0.00 0.00 0.00 175.10 176.25 1gm1 n LYS 45 N 4.92 0.67 -3.48 2.72 4.81 0.31 -0.50 118.16 127.60 1gm1 n LYS 45 Ca 0.10 0.17 -0.14 0.00 -0.87 0.00 0.00 58.31 57.56 1gm1 n LYS 45 Cb 0.47 -1.56 -0.04 0.00 0.02 0.00 0.00 35.03 33.92 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 -2.53 -1.72 -0.20 3.14 0.00 -0.90 -4.77 121.76 114.78 1gm1 s ALA 46 Ca -0.31 1.00 -0.02 0.00 0.00 0.00 0.00 51.96 52.62 1gm1 s ALA 46 Cb 0.08 0.32 -0.00 0.00 0.00 0.00 0.00 23.12 23.52 1gm1 s ALA 46 CO 0.65 -0.55 -0.09 -1.50 0.00 0.00 0.00 175.76 174.27 1gm1 s ILE 47 N -2.33 3.00 -0.03 0.00 1.10 -1.26 -1.45 121.20 120.23 1gm1 s ILE 47 Ca -0.04 -0.62 -0.30 0.00 -0.51 0.00 0.00 60.65 59.17 1gm1 s ILE 47 Cb -0.01 -2.34 -0.03 0.00 0.15 0.00 0.00 42.46 40.23 1gm1 s ILE 47 CO -0.01 0.46 1.13 -0.63 -2.11 0.00 0.00 174.94 173.78 1gm1 s ILE 48 N 1.35 4.39 -0.09 2.00 -1.09 -1.07 -4.95 121.20 121.73 1gm1 s ILE 48 Ca 0.04 1.70 -0.34 0.00 -2.23 0.00 0.00 60.65 59.83 1gm1 s ILE 48 Cb -0.14 -4.09 -0.12 0.00 -1.58 0.00 0.00 42.46 36.53 1gm1 s ILE 48 CO -0.05 0.05 1.89 -2.65 -1.23 0.00 0.00 174.94 172.95 1gm1 n PRO 49 N 4.67 2.20 -1.34 2.79 -0.02 -1.26 -1.54 135.00 140.49 1gm1 n PRO 49 Ca 0.09 0.80 -0.01 0.00 -2.02 0.00 0.00 63.50 62.37 1gm1 n PRO 49 Cb 0.47 -2.66 -0.00 0.00 -0.02 0.00 0.00 33.50 31.29 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 6.74 -0.08 -2.22 -0.52 4.76 -1.26 -5.09 118.16 120.49 1gm1 n LYS 50 Ca 0.23 0.39 -0.28 0.00 -2.87 0.00 0.00 58.31 55.78 1gm1 n LYS 50 Cb 0.30 -3.94 0.04 0.00 -1.84 0.00 0.00 35.03 29.58 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1gm1 s GLY 51 N -2.98 1.61 0.12 0.72 0.00 -0.59 -4.99 107.32 101.22 1gm1 s GLY 51 Ca 0.00 -0.56 -0.32 0.00 0.00 0.00 0.00 44.72 43.84 1gm1 s GLY 51 CO 0.00 -0.25 1.57 0.00 0.00 0.00 0.00 173.10 174.42 1gm1 h ALA 52 N -0.33 -0.78 0.00 3.20 0.00 -1.89 -2.99 119.26 116.48 1gm1 h ALA 52 Ca -0.45 -0.05 -0.03 0.00 0.00 0.00 0.00 54.91 54.38 1gm1 h ALA 52 Cb 1.25 0.90 -0.00 0.00 0.00 0.00 0.00 17.79 19.93 1gm1 h ALA 52 CO 0.62 -1.03 -0.15 0.00 0.00 0.00 0.00 179.25 178.69 1gm1 h ALA 53 N -0.15 1.44 0.40 0.00 0.00 -1.86 -2.84 119.26 116.24 1gm1 h ALA 53 Ca 0.05 -0.14 -0.02 0.00 0.00 0.00 0.00 54.91 54.80 1gm1 h ALA 53 Cb 0.67 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.44 1gm1 h ALA 53 CO -0.40 0.19 -0.19 1.49 0.00 0.00 0.00 179.25 180.34 1gm1 h GLU 54 N 0.00 -0.52 -0.38 0.00 4.22 -1.78 -3.30 114.58 112.82 1gm1 h GLU 54 Ca -0.00 0.04 -0.06 0.00 0.08 0.00 0.00 59.36 59.42 1gm1 h GLU 54 Cb 0.34 0.12 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 1gm1 h GLU 54 CO 0.02 -0.30 0.02 1.03 -2.18 0.00 0.00 179.01 177.60 1gm1 h SER 55 N -0.62 0.64 -0.60 1.04 0.87 -1.41 -3.36 113.55 110.11 1gm1 h SER 55 Ca -0.05 -0.29 0.09 0.00 -1.23 0.00 0.00 61.79 60.31 1gm1 h SER 55 Cb 0.46 -0.17 -0.11 0.00 -0.44 0.00 0.00 62.40 62.14 1gm1 h SER 55 CO 0.09 0.78 -0.41 -0.78 -0.53 0.00 0.00 176.83 175.98 1gm1 h ASP 56 N 0.49 -1.40 0.00 6.23 1.82 -1.58 -3.47 116.42 118.50 1gm1 h ASP 56 Ca 0.11 0.24 0.00 0.00 -0.39 0.00 0.00 57.03 56.99 1gm1 h ASP 56 Cb 0.43 0.66 0.00 0.00 0.68 0.00 0.00 39.33 41.10 1gm1 h ASP 56 CO 0.02 -0.32 0.00 0.61 -1.61 0.00 0.00 179.24 177.93 1gm1 n GLY 57 N -1.42 1.01 0.11 -0.78 0.00 -1.26 -4.95 105.19 97.90 1gm1 n GLY 57 Ca 0.03 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.83 1gm1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gm1 n ARG 58 N -1.35 0.58 -2.67 1.61 5.12 -1.26 -4.96 116.66 113.73 1gm1 n ARG 58 Ca 0.00 0.55 -0.42 0.00 -1.93 0.00 0.00 57.85 56.05 1gm1 n ARG 58 Cb 0.00 -1.74 -0.03 0.00 -1.16 0.00 0.00 32.46 29.53 1gm1 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1gm1 s ILE 59 N -2.38 4.76 0.08 0.55 1.01 -1.26 -4.98 121.20 118.98 1gm1 s ILE 59 Ca -0.29 1.99 0.04 0.00 0.00 0.00 0.00 60.65 62.39 1gm1 s ILE 59 Cb 0.06 -4.27 -0.03 0.00 0.01 0.00 0.00 42.46 38.23 1gm1 s ILE 59 CO 0.60 0.12 -0.11 -2.28 0.00 0.00 0.00 174.94 173.27 1gm1 s HIS 60 N 1.24 1.04 -0.09 3.97 2.46 -1.26 -4.91 115.29 117.74 1gm1 s HIS 60 Ca 0.52 -0.60 -0.37 0.00 0.47 0.00 0.00 55.06 55.09 1gm1 s HIS 60 Cb -0.21 -0.58 -0.14 0.00 -0.13 0.00 0.00 32.58 31.52 1gm1 s HIS 60 CO 0.26 0.00 1.70 1.17 -2.47 0.00 0.00 174.74 175.40 1gm1 n LYS 61 N 0.82 1.64 -0.35 2.88 0.00 -1.26 -2.00 118.16 119.89 1gm1 n LYS 61 Ca -0.18 0.60 0.00 0.00 0.00 0.00 0.00 58.31 58.73 1gm1 n LYS 61 Cb 0.57 -2.34 0.00 0.00 0.00 0.00 0.00 35.03 33.25 1gm1 n LYS 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1gm1 n GLY 62 N 3.88 0.68 3.88 3.14 0.00 0.34 -4.57 105.19 112.53 1gm1 n GLY 62 Ca 0.22 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.94 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 -2.99 6.30 -0.20 1.61 1.47 -0.85 -4.51 116.67 117.50 1gm1 s ASP 63 Ca 0.00 1.31 -0.10 0.00 1.18 0.00 0.00 52.55 54.94 1gm1 s ASP 63 Cb 0.00 -2.41 -0.05 0.00 -0.34 0.00 0.00 42.92 40.12 1gm1 s ASP 63 CO 0.00 -0.74 0.12 -0.60 0.68 0.00 0.00 175.17 174.63 1gm1 s ARG 64 N -4.88 4.17 -0.14 2.11 3.52 -1.20 -0.34 118.95 122.19 1gm1 s ARG 64 Ca 0.53 -0.23 -0.24 0.00 -0.13 0.00 0.00 55.73 55.66 1gm1 s ARG 64 Cb -0.11 -3.40 -0.02 0.00 -1.56 0.00 0.00 34.95 29.86 1gm1 s ARG 64 CO 0.48 0.30 0.77 0.08 -0.81 0.00 0.00 175.30 176.11 1gm1 s VAL 65 N 0.36 4.95 -0.26 7.11 1.01 0.30 -1.05 120.40 132.82 1gm1 s VAL 65 Ca 0.08 1.51 -0.03 0.00 0.00 0.00 0.00 61.98 63.54 1gm1 s VAL 65 Cb -0.11 -4.08 -0.16 0.00 0.00 0.00 0.00 36.38 32.02 1gm1 s VAL 65 CO -0.02 0.10 -0.23 0.18 0.00 0.00 0.00 175.10 175.14 1gm1 n LEU 66 N 4.80 2.69 -3.73 3.92 4.32 0.12 -4.37 117.00 124.74 1gm1 n LEU 66 Ca 0.02 0.01 -0.14 0.00 -0.02 0.00 0.00 56.01 55.88 1gm1 n LEU 66 Cb 0.50 -0.90 -0.08 0.00 -1.62 0.00 0.00 43.42 41.31 1gm1 n LEU 66 CO 0.47 0.83 0.07 0.00 -1.22 0.00 0.00 177.39 177.55 1gm1 s ALA 67 N -2.52 -0.92 -0.27 -1.18 0.00 -0.94 -0.21 121.76 115.72 1gm1 s ALA 67 Ca -0.35 0.52 0.02 0.00 0.00 0.00 0.00 51.96 52.15 1gm1 s ALA 67 Cb 0.10 -0.01 0.06 0.00 0.00 0.00 0.00 23.12 23.27 1gm1 s ALA 67 CO 0.58 -0.26 -0.07 0.08 0.00 0.00 0.00 175.76 176.08 1gm1 s VAL 68 N -1.15 2.37 -0.90 0.00 1.01 -0.18 -1.49 120.40 120.07 1gm1 s VAL 68 Ca -0.12 -1.62 -0.07 0.00 0.00 0.00 0.00 61.98 60.17 1gm1 s VAL 68 Cb -0.04 -2.41 0.00 0.00 0.00 0.00 0.00 36.38 33.93 1gm1 s VAL 68 CO 0.05 -0.08 0.65 -3.20 0.00 0.00 0.00 175.10 172.52 1gm1 n ASN 69 N 4.47 -5.35 0.00 3.32 5.15 0.88 -1.88 115.26 121.85 1gm1 n ASN 69 Ca -0.13 -0.86 0.00 0.00 -0.60 0.00 0.00 54.58 52.99 1gm1 n ASN 69 Cb 0.42 -2.54 0.00 0.00 -0.53 0.00 0.00 39.78 37.13 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 -1.73 2.74 3.51 8.20 0.00 -1.26 -4.98 105.19 111.67 1gm1 n GLY 70 Ca -0.21 0.00 -0.43 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 -1.31 4.99 0.18 1.61 1.01 -0.79 -5.03 120.40 121.06 1gm1 s VAL 71 Ca 0.00 -0.04 -0.30 0.00 0.00 0.00 0.00 61.98 61.64 1gm1 s VAL 71 Cb 0.00 -4.07 -0.08 0.00 0.00 0.00 0.00 36.38 32.23 1gm1 s VAL 71 CO 0.00 -0.42 1.31 -0.44 0.00 0.00 0.00 175.10 175.54 1gm1 s SER 72 N 1.86 6.91 -0.28 3.32 0.01 -1.26 -1.01 113.70 123.24 1gm1 s SER 72 Ca 0.17 2.36 -0.05 0.00 1.31 0.00 0.00 55.95 59.74 1gm1 s SER 72 Cb -0.16 -2.60 -0.07 0.00 0.21 0.00 0.00 66.02 63.40 1gm1 s SER 72 CO 0.15 -0.53 3.11 0.18 0.41 0.00 0.00 173.24 176.56 1gm1 n LEU 73 N 2.90 6.00 -4.75 2.44 4.77 0.70 -4.89 117.00 124.17 1gm1 n LEU 73 Ca 0.07 -3.72 -0.39 0.00 -0.03 0.00 0.00 56.01 51.94 1gm1 n LEU 73 Cb 0.43 -1.31 -0.06 0.00 -2.33 0.00 0.00 43.42 40.16 1gm1 n LEU 73 CO 0.58 1.72 0.26 -1.83 -1.33 0.00 0.00 177.39 176.79 1gm1 s GLU 74 N -0.65 4.31 0.00 3.23 -1.05 -1.26 -4.15 118.70 119.13 1gm1 s GLU 74 Ca 0.62 0.65 0.00 0.00 -0.15 0.00 0.00 54.97 56.09 1gm1 s GLU 74 Cb 0.36 -3.37 0.00 0.00 -0.44 0.00 0.00 34.13 30.67 1gm1 s GLU 74 CO -0.14 0.29 0.00 0.41 0.95 0.00 0.00 175.26 176.77 1gm1 n GLY 75 N 2.72 0.27 3.78 -3.83 0.00 -1.26 -4.95 105.19 101.92 1gm1 n GLY 75 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.75 2.85 0.70 4.61 0.00 -1.26 -4.75 121.76 122.17 1gm1 s ALA 76 Ca 0.00 0.78 -0.03 0.00 0.00 0.00 0.00 51.96 52.71 1gm1 s ALA 76 Cb 0.00 -3.33 0.10 0.00 0.00 0.00 0.00 23.12 19.89 1gm1 s ALA 76 CO 0.00 -0.55 0.97 0.95 0.00 0.00 0.00 175.76 177.13 1gm1 s THR 77 N -1.76 2.27 0.14 0.00 -4.23 -1.26 -1.24 115.64 109.56 1gm1 s THR 77 Ca 0.67 -0.50 -0.23 0.00 -1.18 0.00 0.00 61.69 60.46 1gm1 s THR 77 Cb -0.23 -2.77 0.00 0.00 1.34 0.00 0.00 72.50 70.84 1gm1 s THR 77 CO 0.27 0.00 1.64 -0.74 -0.54 0.00 0.00 174.62 175.25 1gm1 h HIS 78 N -0.50 -0.54 -0.98 3.99 2.76 -1.85 -2.97 115.15 115.07 1gm1 h HIS 78 Ca -0.40 0.03 0.10 0.00 -2.20 0.00 0.00 60.37 57.90 1gm1 h HIS 78 Cb 1.28 0.27 -0.08 0.00 1.55 0.00 0.00 27.41 30.43 1gm1 h HIS 78 CO -0.05 -0.28 0.61 -0.22 -1.30 0.00 0.00 177.93 176.69 1gm1 h LYS 79 N -0.24 1.00 0.30 5.26 3.64 -1.96 -1.63 116.57 122.94 1gm1 h LYS 79 Ca 0.11 -0.06 0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1gm1 h LYS 79 Cb 0.41 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.98 1gm1 h LYS 79 CO -0.32 0.66 -0.39 0.37 -2.27 0.00 0.00 179.45 177.50 1gm1 h GLN 80 N 1.03 -0.71 -0.41 1.90 -0.00 -1.92 0.20 115.11 115.20 1gm1 h GLN 80 Ca 0.46 0.05 -0.11 0.00 -0.00 0.00 0.00 58.65 59.04 1gm1 h GLN 80 Cb 0.36 0.16 -0.01 0.00 0.00 0.00 0.00 27.48 27.98 1gm1 h GLN 80 CO -0.23 -0.48 -0.20 0.00 0.00 0.00 0.00 178.83 177.92 1gm1 h ALA 81 N -0.30 0.87 -0.09 3.38 0.00 -1.48 -2.02 119.26 119.62 1gm1 h ALA 81 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 54.91 54.51 1gm1 h ALA 81 Cb 0.69 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 1gm1 h ALA 81 CO -0.12 0.63 -0.04 0.28 0.00 0.00 0.00 179.25 180.00 1gm1 h VAL 82 N 0.71 1.32 0.00 0.00 2.07 -1.18 0.11 116.25 119.28 1gm1 h VAL 82 Ca 0.10 -1.06 -0.05 0.00 0.82 0.00 0.00 66.70 66.52 1gm1 h VAL 82 Cb 0.72 1.85 -0.01 0.00 -1.52 0.00 0.00 31.29 32.33 1gm1 h VAL 82 CO 0.06 0.30 -0.22 -0.33 0.02 0.00 0.00 177.57 177.39 1gm1 h GLU 83 N -0.19 0.00 -0.15 1.57 4.39 -0.98 0.15 114.58 119.38 1gm1 h GLU 83 Ca 0.02 0.00 -0.06 0.00 0.34 0.00 0.00 59.36 59.66 1gm1 h GLU 83 Cb 0.49 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.14 1gm1 h GLU 83 CO 0.01 0.22 -0.14 1.15 -1.16 0.00 0.00 179.01 179.09 1gm1 h THR 84 N 0.00 1.34 0.00 1.13 2.02 -1.17 -2.12 112.91 114.12 1gm1 h THR 84 Ca -0.00 -1.29 -0.03 0.00 0.77 0.00 0.00 66.41 65.85 1gm1 h THR 84 Cb 0.50 1.86 -0.00 0.00 -1.74 0.00 0.00 68.15 68.76 1gm1 h THR 84 CO 0.03 0.38 -0.14 -0.07 0.37 0.00 0.00 175.52 176.09 1gm1 h LEU 85 N -0.00 0.00 0.04 2.58 3.38 -0.29 -2.81 115.31 118.21 1gm1 h LEU 85 Ca 0.02 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 57.99 1gm1 h LEU 85 Cb 0.67 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.42 1gm1 h LEU 85 CO 0.04 0.14 -0.02 0.03 0.09 0.00 0.00 178.44 178.72 1gm1 h ARG 86 N 0.00 -0.06 -2.68 1.13 3.08 -0.76 -3.37 114.38 111.72 1gm1 h ARG 86 Ca -0.00 0.00 -0.73 0.00 0.07 0.00 0.00 59.98 59.32 1gm1 h ARG 86 Cb 0.72 0.01 -0.10 0.00 0.08 0.00 0.00 29.97 30.69 1gm1 h ARG 86 CO 0.02 0.35 2.66 -1.71 -1.07 0.00 0.00 179.97 180.22 1gm1 n ASN 87 N -4.92 8.18 -3.54 7.04 5.15 -0.80 -4.91 115.26 121.46 1gm1 n ASN 87 Ca -0.08 -3.05 -0.14 0.00 -0.60 0.00 0.00 54.58 50.71 1gm1 n ASN 87 Cb 0.22 -1.39 0.07 0.00 -0.53 0.00 0.00 39.78 38.15 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.35 1.40 0.00 0.00 177.26 179.01 1gm1 n THR 88 N 2.03 0.00 -1.21 -0.44 -2.24 -1.25 -4.91 114.28 106.27 1gm1 n THR 88 Ca 0.65 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 61.48 1gm1 n THR 88 Cb 0.24 -1.09 0.00 0.00 -2.10 0.00 0.00 70.33 67.38 1gm1 n THR 88 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1gm1 n GLY 89 N 0.33 2.29 0.11 3.38 0.00 -1.26 -5.06 105.19 104.98 1gm1 n GLY 89 Ca 0.10 -1.90 -0.12 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 -0.15 -4.95 1.61 4.15 -1.98 -3.44 115.11 110.35 1gm1 h GLN 90 Ca 0.00 0.01 -0.65 0.00 0.77 0.00 0.00 58.65 58.78 1gm1 h GLN 90 Cb 0.00 0.03 -0.21 0.00 0.21 0.00 0.00 27.48 27.51 1gm1 h GLN 90 CO 0.00 0.32 -0.60 0.08 -1.93 0.00 0.00 178.83 176.70 1gm1 s VAL 91 N -3.84 4.54 -0.08 2.39 1.01 -1.26 -2.03 120.40 121.13 1gm1 s VAL 91 Ca -0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 61.98 61.74 1gm1 s VAL 91 Cb 0.01 -3.13 -0.03 0.00 0.00 0.00 0.00 36.38 33.23 1gm1 s VAL 91 CO 0.57 0.33 -0.05 -0.69 0.00 0.00 0.00 175.10 175.26 1gm1 s VAL 92 N 1.59 3.90 -0.27 2.92 1.01 0.14 -4.96 120.40 124.73 1gm1 s VAL 92 Ca 0.06 -0.40 -0.01 0.00 0.00 0.00 0.00 61.98 61.63 1gm1 s VAL 92 Cb -0.15 -2.61 0.04 0.00 0.00 0.00 0.00 36.38 33.65 1gm1 s VAL 92 CO 0.05 0.60 -0.05 -2.28 0.00 0.00 0.00 175.10 173.42 1gm1 s HIS 93 N -0.79 3.15 0.23 5.22 2.46 -1.26 -0.36 115.29 123.94 1gm1 s HIS 93 Ca 0.12 -1.73 0.07 0.00 0.47 0.00 0.00 55.06 53.99 1gm1 s HIS 93 Cb -0.11 -2.06 -0.04 0.00 -0.13 0.00 0.00 32.58 30.24 1gm1 s HIS 93 CO 0.02 -0.77 0.15 -0.51 -2.47 0.00 0.00 174.74 171.15 1gm1 s LEU 94 N 1.28 3.70 -0.07 8.88 1.43 0.11 -0.08 118.68 133.93 1gm1 s LEU 94 Ca -0.02 -0.28 0.03 0.00 -1.03 0.00 0.00 54.13 52.82 1gm1 s LEU 94 Cb -0.18 -2.26 0.01 0.00 0.03 0.00 0.00 46.19 43.79 1gm1 s LEU 94 CO -0.03 -0.00 -0.16 -0.22 0.23 0.00 0.00 176.35 176.17 1gm1 s LEU 95 N -3.60 1.79 0.11 1.79 2.96 -0.55 -0.64 118.68 120.53 1gm1 s LEU 95 Ca 0.32 -0.37 0.02 0.00 -0.22 0.00 0.00 54.13 53.89 1gm1 s LEU 95 Cb -0.08 -0.98 -0.04 0.00 0.50 0.00 0.00 46.19 45.58 1gm1 s LEU 95 CO 0.24 0.08 -0.08 -1.48 -1.32 0.00 0.00 176.35 173.79 1gm1 s LEU 96 N 0.49 2.50 -0.13 -0.68 -0.00 -0.68 -0.70 118.68 119.47 1gm1 s LEU 96 Ca -0.14 -0.97 -0.07 0.00 -0.00 0.00 0.00 54.13 52.95 1gm1 s LEU 96 Cb -0.16 -0.15 -0.04 0.00 -0.00 0.00 0.00 46.19 45.85 1gm1 s LEU 96 CO 0.05 -0.41 0.11 -0.70 -0.00 0.00 0.00 176.35 175.39 1gm1 s GLU 97 N -3.64 3.55 -0.32 1.48 2.12 -0.21 -1.32 118.70 120.36 1gm1 s GLU 97 Ca 0.11 -0.22 -0.29 0.00 0.36 0.00 0.00 54.97 54.94 1gm1 s GLU 97 Cb 0.03 -3.17 0.00 0.00 0.26 0.00 0.00 34.13 31.26 1gm1 s GLU 97 CO -0.03 0.63 1.34 0.21 -0.54 0.00 0.00 175.26 176.87 1gm1 s LYS 98 N -0.61 3.84 0.27 4.30 2.47 0.13 -3.22 119.74 126.91 1gm1 s LYS 98 Ca 0.12 1.20 -0.30 0.00 -1.56 0.00 0.00 55.97 55.43 1gm1 s LYS 98 Cb -0.12 -3.92 -0.13 0.00 -1.46 0.00 0.00 37.83 32.20 1gm1 s LYS 98 CO 0.02 -1.22 1.30 0.41 0.16 0.00 0.00 175.35 176.02 1gm1 n GLY 99 N 4.49 0.53 0.07 5.54 0.00 -1.26 -2.30 105.19 112.26 1gm1 n GLY 99 Ca 0.15 0.42 -0.07 0.00 0.00 0.00 0.00 46.02 46.52 1gm1 n GLY 99 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 100 N 3.35 0.00 -5.58 1.61 4.20 -1.90 -3.46 115.11 113.33 1gm1 h GLN 100 Ca -0.44 0.00 -0.66 0.00 0.06 0.00 0.00 58.65 57.61 1gm1 h GLN 100 Cb 1.29 0.00 -0.23 0.00 0.30 0.00 0.00 27.48 28.84 1gm1 h GLN 100 CO 0.69 0.26 -0.72 0.14 -0.67 0.00 0.00 178.83 178.53 1gm1 s VAL 101 N -2.07 3.46 -2.68 -0.54 -7.23 -1.26 -5.01 120.40 105.07 1gm1 s VAL 101 Ca -0.13 -0.53 0.27 0.00 -1.81 0.00 0.00 61.98 59.77 1gm1 s VAL 101 Cb 0.02 -2.46 0.42 0.00 0.56 0.00 0.00 36.38 34.92 1gm1 s VAL 101 CO 0.26 0.54 1.57 -0.81 -0.31 0.00 0.00 175.10 176.35