#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 -1.64 0.00 1.97 -0.04 -1.26 -4.55 135.00 129.48 1gm1 n PRO 10 Ca 0.00 -1.72 0.00 0.00 -0.04 0.00 0.00 63.50 61.74 1gm1 n PRO 10 Cb 0.00 -1.26 0.00 0.00 -0.04 0.00 0.00 33.50 32.20 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 -2.96 0.70 3.81 0.55 0.00 -0.55 -5.02 105.19 101.71 1gm1 n GLY 11 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.58 6.20 -0.07 1.61 -1.08 -1.26 -4.61 116.67 114.88 1gm1 s ASP 12 Ca 0.00 1.82 0.00 0.00 -0.52 0.00 0.00 52.55 53.85 1gm1 s ASP 12 Cb 0.00 -2.54 -0.03 0.00 -1.46 0.00 0.00 42.92 38.89 1gm1 s ASP 12 CO 0.00 -0.88 -0.06 0.42 0.52 0.00 0.00 175.17 175.17 1gm1 s THR 13 N -2.27 3.80 0.04 1.71 -4.23 -1.26 -0.12 115.64 113.32 1gm1 s THR 13 Ca 0.64 -0.44 -0.09 0.00 -1.18 0.00 0.00 61.69 60.62 1gm1 s THR 13 Cb -0.15 -2.57 0.00 0.00 1.34 0.00 0.00 72.50 71.13 1gm1 s THR 13 CO 0.28 0.60 0.19 -0.36 -0.54 0.00 0.00 174.62 174.78 1gm1 s PHE 14 N -0.78 0.07 -0.04 3.99 0.40 -0.66 -5.01 117.98 115.94 1gm1 s PHE 14 Ca 0.12 -0.30 0.01 0.00 -0.60 0.00 0.00 56.93 56.15 1gm1 s PHE 14 Cb -0.11 -0.04 -0.03 0.00 0.51 0.00 0.00 43.02 43.35 1gm1 s PHE 14 CO 0.02 -0.43 -0.02 -1.21 0.70 0.00 0.00 175.22 174.27 1gm1 s GLU 15 N -2.62 2.80 -0.28 0.44 2.02 -1.26 -1.54 118.70 118.26 1gm1 s GLU 15 Ca -0.05 -0.55 0.02 0.00 0.02 0.00 0.00 54.97 54.41 1gm1 s GLU 15 Cb -0.01 -2.66 0.08 0.00 0.10 0.00 0.00 34.13 31.63 1gm1 s GLU 15 CO -0.04 0.65 -0.03 0.08 0.02 0.00 0.00 175.26 175.94 1gm1 s VAL 16 N -0.95 1.91 -0.65 2.63 1.01 0.81 -4.99 120.40 120.16 1gm1 s VAL 16 Ca 0.16 -1.72 -0.18 0.00 0.00 0.00 0.00 61.98 60.24 1gm1 s VAL 16 Cb -0.11 -2.22 0.12 0.00 0.00 0.00 0.00 36.38 34.17 1gm1 s VAL 16 CO 0.06 -0.28 0.74 -1.61 0.00 0.00 0.00 175.10 174.01 1gm1 s GLU 17 N 1.17 3.16 -0.10 2.72 2.02 -1.26 -0.70 118.70 125.71 1gm1 s GLU 17 Ca -0.00 -1.53 0.04 0.00 0.02 0.00 0.00 54.97 53.49 1gm1 s GLU 17 Cb -0.19 -4.36 -0.00 0.00 0.10 0.00 0.00 34.13 29.68 1gm1 s GLU 17 CO -0.08 -1.52 -0.24 -1.17 0.02 0.00 0.00 175.26 172.27 1gm1 s LEU 18 N 2.32 2.11 -0.25 1.80 2.96 -0.14 -4.96 118.68 122.51 1gm1 s LEU 18 Ca 0.14 -0.55 -0.11 0.00 -0.22 0.00 0.00 54.13 53.39 1gm1 s LEU 18 Cb -0.21 -1.42 -0.05 0.00 0.50 0.00 0.00 46.19 45.01 1gm1 s LEU 18 CO 0.03 0.16 0.18 0.00 -1.32 0.00 0.00 176.35 175.40 1gm1 s ALA 19 N 0.35 3.59 -0.22 5.97 0.00 -1.26 0.51 121.76 130.69 1gm1 s ALA 19 Ca -0.19 -0.93 -0.29 0.00 0.00 0.00 0.00 51.96 50.55 1gm1 s ALA 19 Cb -0.18 -2.39 -0.03 0.00 0.00 0.00 0.00 23.12 20.53 1gm1 s ALA 19 CO 0.09 -0.30 1.62 0.21 0.00 0.00 0.00 175.76 177.37 1gm1 s LYS 20 N 1.28 3.79 -0.17 0.00 2.20 -0.51 -4.87 119.74 121.46 1gm1 s LYS 20 Ca 0.08 1.66 -0.13 0.00 -0.36 0.00 0.00 55.97 57.21 1gm1 s LYS 20 Cb -0.14 -4.04 -0.05 0.00 -1.51 0.00 0.00 37.83 32.09 1gm1 s LYS 20 CO 0.06 -1.30 0.28 -0.08 -0.36 0.00 0.00 175.35 173.95 1gm1 s THR 21 N 5.23 5.31 -1.54 3.43 -1.32 -1.08 -4.37 115.64 121.30 1gm1 s THR 21 Ca 0.72 0.51 -0.01 0.00 -1.21 0.00 0.00 61.69 61.70 1gm1 s THR 21 Cb -0.25 -3.62 0.01 0.00 -1.51 0.00 0.00 72.50 67.14 1gm1 s THR 21 CO 0.29 0.38 0.11 -0.67 -2.21 0.00 0.00 174.62 172.52 1gm1 n ASP 22 N 3.64 0.57 -0.04 8.08 2.03 -1.26 -0.74 116.55 128.82 1gm1 n ASP 22 Ca -0.12 -1.23 -0.01 0.00 0.52 0.00 0.00 54.79 53.95 1gm1 n ASP 22 Cb 0.52 -1.85 -0.00 0.00 -0.72 0.00 0.00 41.12 39.06 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 -2.40 0.33 3.19 0.27 0.00 -1.26 -5.01 105.19 100.31 1gm1 n GLY 23 Ca -0.30 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.37 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 -2.05 2.95 -0.13 1.61 1.04 0.08 -5.01 113.70 112.18 1gm1 s SER 24 Ca 0.00 -0.54 -0.09 0.00 0.48 0.00 0.00 55.95 55.81 1gm1 s SER 24 Cb 0.00 -1.35 -0.05 0.00 0.10 0.00 0.00 66.02 64.72 1gm1 s SER 24 CO 0.00 0.13 -0.01 -0.07 0.98 0.00 0.00 173.24 174.27 1gm1 h LEU 25 N 6.85 0.00 0.00 2.42 3.38 -1.94 -2.86 115.31 123.16 1gm1 h LEU 25 Ca -0.22 -0.12 0.00 0.00 0.09 0.00 0.00 57.88 57.63 1gm1 h LEU 25 Cb 1.23 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.98 1gm1 h LEU 25 CO 0.48 0.75 0.00 0.61 0.09 0.00 0.00 178.44 180.38 1gm1 n GLY 26 N 1.66 1.87 3.27 0.83 0.00 -1.26 0.55 105.19 112.11 1gm1 n GLY 26 Ca -0.07 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.66 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 1.83 -0.16 -0.61 -4.36 -1.26 -1.12 121.20 113.51 1gm1 s ILE 27 Ca 0.00 -1.06 -0.01 0.00 -0.26 0.00 0.00 60.65 59.31 1gm1 s ILE 27 Cb 0.00 -1.53 -0.01 0.00 1.25 0.00 0.00 42.46 42.16 1gm1 s ILE 27 CO 0.00 0.45 -0.10 -0.55 0.24 0.00 0.00 174.94 174.97 1gm1 s SER 28 N -0.72 4.10 0.26 4.36 0.15 -0.43 -4.91 113.70 116.51 1gm1 s SER 28 Ca 0.09 -0.35 0.10 0.00 0.70 0.00 0.00 55.95 56.50 1gm1 s SER 28 Cb -0.09 -1.65 -0.05 0.00 -1.71 0.00 0.00 66.02 62.52 1gm1 s SER 28 CO -0.00 0.10 -0.08 0.68 1.20 0.00 0.00 173.24 175.14 1gm1 s VAL 29 N 0.72 3.09 0.17 4.45 -7.23 -1.26 -0.14 120.40 120.19 1gm1 s VAL 29 Ca -0.05 -2.07 -0.08 0.00 -1.81 0.00 0.00 61.98 57.97 1gm1 s VAL 29 Cb -0.15 -2.63 -0.01 0.00 0.56 0.00 0.00 36.38 34.15 1gm1 s VAL 29 CO 0.02 -0.36 0.29 0.28 -0.31 0.00 0.00 175.10 175.01 1gm1 s THR 30 N -2.34 0.05 0.00 5.32 -1.32 0.59 -4.74 115.64 113.20 1gm1 s THR 30 Ca 0.30 -1.45 0.00 0.00 -1.21 0.00 0.00 61.69 59.33 1gm1 s THR 30 Cb -0.06 -1.94 0.00 0.00 -1.51 0.00 0.00 72.50 68.99 1gm1 s THR 30 CO 0.18 -0.25 0.00 0.61 -2.21 0.00 0.00 174.62 172.95 1gm1 n GLY 31 N -0.23 0.42 0.00 6.08 0.00 -1.26 -0.08 105.19 110.11 1gm1 n GLY 31 Ca -0.06 -1.80 0.00 0.00 0.00 0.00 0.00 46.02 44.16 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 2.28 0.20 -0.02 0.00 0.04 -3.28 105.19 104.41 1gm1 n GLY 32 Ca 0.00 -1.93 0.07 0.00 0.00 0.00 0.00 46.02 44.15 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 0.82 -0.08 1.61 3.04 -1.29 -2.15 116.25 118.20 1gm1 h VAL 33 Ca 0.00 -1.37 0.00 0.00 -1.01 0.00 0.00 66.70 64.32 1gm1 h VAL 33 Cb 0.00 1.85 0.00 0.00 -2.01 0.00 0.00 31.29 31.13 1gm1 h VAL 33 CO 0.00 0.32 0.00 -3.20 -1.01 0.00 0.00 177.57 173.68 1gm1 n ASN 34 N -3.54 1.79 -5.01 3.17 4.05 -1.26 -4.78 115.26 109.68 1gm1 n ASN 34 Ca -0.00 -1.63 -0.22 0.00 0.45 0.00 0.00 54.58 53.18 1gm1 n ASN 34 Cb 0.47 -0.04 0.05 0.00 1.23 0.00 0.00 39.78 41.49 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 -3.05 0.00 0.00 177.26 173.32 1gm1 s THR 35 N -1.92 1.89 0.00 -0.44 2.01 -0.81 -4.98 115.64 111.39 1gm1 s THR 35 Ca 0.35 -1.12 0.00 0.00 0.31 0.00 0.00 61.69 61.23 1gm1 s THR 35 Cb 0.20 -2.01 0.00 0.00 0.01 0.00 0.00 72.50 70.70 1gm1 s THR 35 CO 0.31 0.00 1.21 -1.54 -0.69 0.00 0.00 174.62 173.91 1gm1 n SER 36 N -2.19 3.39 -4.49 3.53 3.41 -1.26 -4.82 113.62 111.19 1gm1 n SER 36 Ca 0.12 -1.89 -0.43 0.00 -0.26 0.00 0.00 58.87 56.41 1gm1 n SER 36 Cb 0.63 -0.66 -0.09 0.00 -0.26 0.00 0.00 64.21 63.83 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 0.25 5.08 0.26 -3.33 1.01 -1.26 -4.94 120.40 117.47 1gm1 s VAL 37 Ca 0.00 -0.30 0.07 0.00 0.00 0.00 0.00 61.98 61.75 1gm1 s VAL 37 Cb 0.00 -4.04 -0.03 0.00 0.00 0.00 0.00 36.38 32.31 1gm1 s VAL 37 CO 0.00 -0.42 1.60 0.08 0.00 0.00 0.00 175.10 176.36 1gm1 h ARG 38 N 8.72 0.13 -0.01 2.72 0.11 -1.94 -2.81 114.38 121.31 1gm1 h ARG 38 Ca -0.26 -0.09 0.00 0.00 0.10 0.00 0.00 59.98 59.73 1gm1 h ARG 38 Cb 1.11 0.01 0.00 0.00 1.11 0.00 0.00 29.97 32.20 1gm1 h ARG 38 CO 0.80 0.68 -0.09 1.58 0.10 0.00 0.00 179.97 183.04 1gm1 n HIS 39 N -3.86 0.00 -2.63 4.08 -0.00 -1.26 -4.99 115.22 106.55 1gm1 n HIS 39 Ca -0.02 0.00 -0.02 0.00 0.46 0.00 0.00 57.72 58.15 1gm1 n HIS 39 Cb 0.60 -0.11 0.00 0.00 -0.12 0.00 0.00 29.99 30.37 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 1.22 -1.05 3.72 1.57 0.00 -1.06 -5.06 105.19 104.53 1gm1 n GLY 40 Ca 0.17 0.47 0.02 0.00 0.00 0.00 0.00 46.02 46.68 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 -2.61 -0.33 -0.05 -0.02 0.00 -1.26 -4.80 107.32 98.25 1gm1 s GLY 41 Ca 0.05 0.50 -0.25 0.00 0.00 0.00 0.00 44.72 45.02 1gm1 s GLY 41 CO 0.57 1.59 0.77 -0.42 0.00 0.00 0.00 173.10 175.61 1gm1 s ILE 42 N -2.31 5.00 0.12 0.90 -1.09 -1.26 -0.78 121.20 121.78 1gm1 s ILE 42 Ca 0.18 1.60 0.09 0.00 -2.23 0.00 0.00 60.65 60.29 1gm1 s ILE 42 Cb 0.03 -4.11 -0.04 0.00 -1.58 0.00 0.00 42.46 36.77 1gm1 s ILE 42 CO -0.03 0.23 -0.23 -0.31 -1.23 0.00 0.00 174.94 173.36 1gm1 s TYR 43 N 0.88 2.01 -0.03 3.97 2.02 0.89 -0.90 117.35 126.19 1gm1 s TYR 43 Ca 0.41 -0.40 -0.30 0.00 -0.37 0.00 0.00 57.07 56.41 1gm1 s TYR 43 Cb -0.18 -1.09 -0.03 0.00 -0.40 0.00 0.00 41.96 40.25 1gm1 s TYR 43 CO 0.20 0.27 1.08 0.08 -1.57 0.00 0.00 175.55 175.62 1gm1 s VAL 44 N -1.18 4.54 -0.21 0.71 1.01 0.22 -0.30 120.40 125.19 1gm1 s VAL 44 Ca 0.10 1.82 -0.09 0.00 0.00 0.00 0.00 61.98 63.82 1gm1 s VAL 44 Cb -0.10 -4.17 -0.19 0.00 0.00 0.00 0.00 36.38 31.92 1gm1 s VAL 44 CO 0.05 0.07 0.02 1.17 0.00 0.00 0.00 175.10 176.41 1gm1 n LYS 45 N 4.50 0.65 -3.67 2.72 4.81 0.80 -0.38 118.16 127.58 1gm1 n LYS 45 Ca 0.08 0.30 -0.13 0.00 -0.87 0.00 0.00 58.31 57.69 1gm1 n LYS 45 Cb 0.48 -1.62 -0.07 0.00 0.02 0.00 0.00 35.03 33.85 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 -2.50 -1.00 -0.29 3.14 0.00 -0.98 -4.67 121.76 115.46 1gm1 s ALA 46 Ca -0.31 0.35 -0.10 0.00 0.00 0.00 0.00 51.96 51.91 1gm1 s ALA 46 Cb 0.09 0.29 -0.03 0.00 0.00 0.00 0.00 23.12 23.47 1gm1 s ALA 46 CO 0.63 -0.42 0.15 -1.50 0.00 0.00 0.00 175.76 174.62 1gm1 s ILE 47 N -2.26 4.83 -0.09 0.00 1.10 -1.26 -1.31 121.20 122.20 1gm1 s ILE 47 Ca -0.07 -0.14 -0.30 0.00 -0.51 0.00 0.00 60.65 59.63 1gm1 s ILE 47 Cb -0.01 -3.36 -0.02 0.00 0.15 0.00 0.00 42.46 39.21 1gm1 s ILE 47 CO -0.01 0.19 1.17 -0.63 -2.11 0.00 0.00 174.94 173.55 1gm1 s ILE 48 N 1.67 4.37 0.17 2.00 -1.09 -0.28 -4.98 121.20 123.06 1gm1 s ILE 48 Ca 0.06 1.67 -0.33 0.00 -2.23 0.00 0.00 60.65 59.82 1gm1 s ILE 48 Cb -0.16 -4.08 -0.13 0.00 -1.58 0.00 0.00 42.46 36.51 1gm1 s ILE 48 CO 0.08 -0.03 1.61 -2.65 -1.23 0.00 0.00 174.94 172.71 1gm1 n PRO 49 N 5.47 2.28 -1.36 2.79 -0.02 -1.26 -2.26 135.00 140.63 1gm1 n PRO 49 Ca 0.11 0.82 -0.05 0.00 -2.02 0.00 0.00 63.50 62.37 1gm1 n PRO 49 Cb 0.46 -2.61 -0.02 0.00 -0.02 0.00 0.00 33.50 31.32 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 3.54 -0.35 -2.20 -0.52 5.02 -1.26 -5.06 118.16 117.33 1gm1 n LYS 50 Ca 0.17 0.57 -0.27 0.00 -2.02 0.00 0.00 58.31 56.76 1gm1 n LYS 50 Cb 0.30 -4.29 0.05 0.00 -0.02 0.00 0.00 35.03 31.07 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 -2.91 1.64 0.07 0.72 0.00 -0.96 -5.00 107.32 100.88 1gm1 s GLY 51 Ca 0.00 -0.73 -0.23 0.00 0.00 0.00 0.00 44.72 43.76 1gm1 s GLY 51 CO 0.00 -0.37 1.37 0.00 0.00 0.00 0.00 173.10 174.10 1gm1 h ALA 52 N -0.49 -0.83 -0.67 3.20 0.00 -1.18 -3.00 119.26 116.29 1gm1 h ALA 52 Ca -0.45 -0.07 -0.05 0.00 0.00 0.00 0.00 54.91 54.34 1gm1 h ALA 52 Cb 1.28 0.77 -0.03 0.00 0.00 0.00 0.00 17.79 19.82 1gm1 h ALA 52 CO 0.61 -0.93 0.23 0.00 0.00 0.00 0.00 179.25 179.17 1gm1 h ALA 53 N -0.84 0.88 -0.83 0.00 0.00 -0.19 -2.68 119.26 115.61 1gm1 h ALA 53 Ca 0.00 -0.20 0.12 0.00 0.00 0.00 0.00 54.91 54.83 1gm1 h ALA 53 Cb 0.50 -0.26 -0.13 0.00 0.00 0.00 0.00 17.79 17.89 1gm1 h ALA 53 CO -0.21 0.53 -0.43 1.49 0.00 0.00 0.00 179.25 180.64 1gm1 h GLU 54 N 0.97 -0.08 -0.38 0.00 4.22 -1.71 -1.72 114.58 115.88 1gm1 h GLU 54 Ca 0.22 0.01 -0.13 0.00 0.08 0.00 0.00 59.36 59.54 1gm1 h GLU 54 Cb 0.26 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.52 1gm1 h GLU 54 CO -0.01 -0.06 -0.28 1.03 -2.18 0.00 0.00 179.01 177.51 1gm1 h SER 55 N -0.09 0.84 -0.02 1.04 0.87 -1.34 -3.24 113.55 111.61 1gm1 h SER 55 Ca 0.26 -0.33 0.02 0.00 -1.23 0.00 0.00 61.79 60.50 1gm1 h SER 55 Cb 0.55 -0.23 -0.03 0.00 -0.44 0.00 0.00 62.40 62.25 1gm1 h SER 55 CO -0.86 1.07 -0.12 -0.78 -0.53 0.00 0.00 176.83 175.62 1gm1 h ASP 56 N 0.69 -0.35 0.00 6.23 1.82 -1.16 -3.47 116.42 120.20 1gm1 h ASP 56 Ca 0.08 0.06 0.00 0.00 -0.39 0.00 0.00 57.03 56.78 1gm1 h ASP 56 Cb 0.82 0.15 0.00 0.00 0.68 0.00 0.00 39.33 40.98 1gm1 h ASP 56 CO 0.07 -0.17 0.00 0.61 -1.61 0.00 0.00 179.24 178.14 1gm1 n GLY 57 N -1.25 0.72 0.19 -0.78 0.00 -0.68 -4.87 105.19 98.53 1gm1 n GLY 57 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.85 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 3.98 0.60 -6.08 1.61 3.08 -1.90 -3.43 114.38 112.24 1gm1 h ARG 58 Ca 0.00 -0.25 -0.56 0.00 0.07 0.00 0.00 59.98 59.25 1gm1 h ARG 58 Cb 0.00 -0.03 -0.05 0.00 0.08 0.00 0.00 29.97 29.97 1gm1 h ARG 58 CO 0.00 0.81 0.14 0.42 -1.07 0.00 0.00 179.97 180.27 1gm1 s ILE 59 N -4.69 5.02 0.25 2.04 1.01 -1.26 -4.98 121.20 118.58 1gm1 s ILE 59 Ca -0.13 1.53 -0.21 0.00 0.00 0.00 0.00 60.65 61.84 1gm1 s ILE 59 Cb 0.08 -4.08 0.03 0.00 0.01 0.00 0.00 42.46 38.50 1gm1 s ILE 59 CO 0.79 0.23 0.67 -1.00 0.00 0.00 0.00 174.94 175.63 1gm1 s HIS 60 N 0.89 -0.24 -0.16 3.97 3.76 -1.26 -4.76 115.29 117.48 1gm1 s HIS 60 Ca 0.39 -0.15 -0.38 0.00 -0.15 0.00 0.00 55.06 54.78 1gm1 s HIS 60 Cb -0.18 0.63 -0.14 0.00 1.11 0.00 0.00 32.58 34.00 1gm1 s HIS 60 CO 0.19 -1.12 1.75 1.17 -0.85 0.00 0.00 174.74 175.88 1gm1 n LYS 61 N -0.43 1.54 -0.50 1.40 4.81 -1.26 -2.22 118.16 121.50 1gm1 n LYS 61 Ca -0.07 0.56 0.00 0.00 -0.87 0.00 0.00 58.31 57.93 1gm1 n LYS 61 Cb 0.61 -2.30 0.00 0.00 0.02 0.00 0.00 35.03 33.35 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 4.09 0.75 3.82 3.14 0.00 0.49 -4.78 105.19 112.69 1gm1 n GLY 62 Ca 0.24 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.24 6.42 -0.26 1.61 1.47 -0.94 -3.97 116.67 118.76 1gm1 s ASP 63 Ca 0.00 1.73 -0.10 0.00 1.18 0.00 0.00 52.55 55.37 1gm1 s ASP 63 Cb 0.00 -2.53 -0.04 0.00 -0.34 0.00 0.00 42.92 40.01 1gm1 s ASP 63 CO 0.00 -0.72 0.14 -0.60 0.68 0.00 0.00 175.17 174.67 1gm1 s ARG 64 N -3.71 3.86 -0.06 2.11 3.00 -0.17 -0.61 118.95 123.38 1gm1 s ARG 64 Ca 0.62 -0.37 -0.27 0.00 -1.00 0.00 0.00 55.73 54.72 1gm1 s ARG 64 Cb -0.13 -3.53 -0.03 0.00 0.00 0.00 0.00 34.95 31.27 1gm1 s ARG 64 CO 0.26 -0.16 0.86 0.08 0.00 0.00 0.00 175.30 176.34 1gm1 s VAL 65 N 1.63 4.93 -0.26 7.11 1.01 -0.07 -1.02 120.40 133.73 1gm1 s VAL 65 Ca 0.07 1.77 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1gm1 s VAL 65 Cb -0.15 -4.19 -0.15 0.00 0.00 0.00 0.00 36.38 31.89 1gm1 s VAL 65 CO 0.08 0.16 -0.26 0.18 0.00 0.00 0.00 175.10 175.27 1gm1 n LEU 66 N 4.13 2.42 -3.74 3.92 4.77 0.07 -4.47 117.00 124.10 1gm1 n LEU 66 Ca 0.03 0.13 -0.13 0.00 -0.03 0.00 0.00 56.01 56.01 1gm1 n LEU 66 Cb 0.51 -0.88 -0.09 0.00 -2.33 0.00 0.00 43.42 40.63 1gm1 n LEU 66 CO 0.50 0.73 0.06 0.00 -1.33 0.00 0.00 177.39 177.35 1gm1 s ALA 67 N -2.51 -0.92 -0.33 -1.18 0.00 -0.96 -1.00 121.76 114.85 1gm1 s ALA 67 Ca -0.36 0.74 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 1gm1 s ALA 67 Cb 0.12 -0.27 0.05 0.00 0.00 0.00 0.00 23.12 23.02 1gm1 s ALA 67 CO 0.55 -0.23 0.07 0.08 0.00 0.00 0.00 175.76 176.24 1gm1 s VAL 68 N -0.58 3.37 -1.41 0.00 1.01 0.03 -1.41 120.40 121.40 1gm1 s VAL 68 Ca -0.07 -1.38 -0.08 0.00 0.00 0.00 0.00 61.98 60.46 1gm1 s VAL 68 Cb -0.04 -2.98 0.01 0.00 0.00 0.00 0.00 36.38 33.38 1gm1 s VAL 68 CO 0.03 -0.22 1.05 -3.20 0.00 0.00 0.00 175.10 172.75 1gm1 n ASN 69 N 4.70 -6.34 0.00 3.32 5.15 -0.01 -1.26 115.26 120.82 1gm1 n ASN 69 Ca -0.11 -0.48 0.00 0.00 -0.60 0.00 0.00 54.58 53.39 1gm1 n ASN 69 Cb 0.44 -5.01 0.00 0.00 -0.53 0.00 0.00 39.78 34.67 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 -1.90 2.24 3.61 8.20 0.00 -1.26 -4.95 105.19 111.13 1gm1 n GLY 70 Ca -0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.61 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 -2.55 5.23 0.14 1.61 1.01 -0.39 -5.06 120.40 120.38 1gm1 s VAL 71 Ca 0.00 0.44 -0.30 0.00 0.00 0.00 0.00 61.98 62.12 1gm1 s VAL 71 Cb 0.00 -3.64 -0.07 0.00 0.00 0.00 0.00 36.38 32.67 1gm1 s VAL 71 CO 0.00 0.20 1.12 -0.55 0.00 0.00 0.00 175.10 175.88 1gm1 s SER 72 N 1.60 7.21 -0.03 3.32 0.15 -1.26 -0.79 113.70 123.90 1gm1 s SER 72 Ca 0.12 2.05 0.08 0.00 0.70 0.00 0.00 55.95 58.91 1gm1 s SER 72 Cb -0.16 -2.60 0.29 0.00 -1.71 0.00 0.00 66.02 61.85 1gm1 s SER 72 CO 0.10 -0.30 1.17 0.18 1.20 0.00 0.00 173.24 175.59 1gm1 n LEU 73 N 2.88 1.99 -4.71 3.45 4.77 -0.17 -4.89 117.00 120.32 1gm1 n LEU 73 Ca 0.05 -1.00 -0.42 0.00 -0.03 0.00 0.00 56.01 54.61 1gm1 n LEU 73 Cb 0.46 -0.30 -0.03 0.00 -2.33 0.00 0.00 43.42 41.22 1gm1 n LEU 73 CO 0.54 0.41 1.24 -1.61 -1.33 0.00 0.00 177.39 176.64 1gm1 s GLU 74 N -1.63 4.22 0.00 3.23 0.41 -1.26 -2.30 118.70 121.38 1gm1 s GLU 74 Ca 0.21 2.32 0.00 0.00 -0.41 0.00 0.00 54.97 57.09 1gm1 s GLU 74 Cb 0.12 -3.30 0.00 0.00 -1.78 0.00 0.00 34.13 29.17 1gm1 s GLU 74 CO 0.12 -0.63 0.00 0.41 -0.49 0.00 0.00 175.26 174.67 1gm1 n GLY 75 N 3.80 2.07 3.78 -1.39 0.00 -1.26 -5.03 105.19 107.17 1gm1 n GLY 75 Ca 0.14 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.81 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 -3.19 2.78 0.72 4.61 0.00 -0.97 -4.74 121.76 120.96 1gm1 s ALA 76 Ca 0.00 0.76 0.01 0.00 0.00 0.00 0.00 51.96 52.72 1gm1 s ALA 76 Cb 0.00 -3.32 0.14 0.00 0.00 0.00 0.00 23.12 19.93 1gm1 s ALA 76 CO 0.00 -0.60 0.97 0.25 0.00 0.00 0.00 175.76 176.38 1gm1 n THR 77 N -1.11 0.00 0.03 0.00 -2.24 -1.26 -0.90 114.28 108.79 1gm1 n THR 77 Ca 0.10 -1.59 -0.13 0.00 -2.27 0.00 0.00 64.05 60.16 1gm1 n THR 77 Cb 0.51 -0.86 -0.08 0.00 -2.10 0.00 0.00 70.33 67.80 1gm1 n THR 77 CO 0.00 0.00 0.00 -0.74 -0.57 0.00 0.00 175.07 173.76 1gm1 h HIS 78 N -0.54 -0.04 -0.97 4.78 2.76 -1.88 -3.08 115.15 116.19 1gm1 h HIS 78 Ca -0.32 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 57.93 1gm1 h HIS 78 Cb 1.21 0.01 -0.07 0.00 1.55 0.00 0.00 27.41 30.12 1gm1 h HIS 78 CO 0.00 0.17 0.62 0.87 -1.30 0.00 0.00 177.93 178.29 1gm1 h LYS 79 N -0.23 1.02 0.25 5.26 1.57 -1.96 -2.21 116.57 120.27 1gm1 h LYS 79 Ca -0.00 -0.06 0.00 0.00 -1.87 0.00 0.00 60.65 58.72 1gm1 h LYS 79 Cb 0.22 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 32.28 1gm1 h LYS 79 CO 0.01 0.68 -0.23 1.96 -0.57 0.00 0.00 179.45 181.29 1gm1 h GLN 80 N 1.05 -0.49 -0.37 3.15 1.08 -1.93 0.45 115.11 118.06 1gm1 h GLN 80 Ca 0.44 0.03 -0.09 0.00 -1.45 0.00 0.00 58.65 57.58 1gm1 h GLN 80 Cb 0.29 0.11 -0.02 0.00 -0.05 0.00 0.00 27.48 27.82 1gm1 h GLN 80 CO -0.19 -0.33 -0.15 0.00 -0.95 0.00 0.00 178.83 177.22 1gm1 h ALA 81 N 0.16 1.06 0.10 3.87 0.00 -1.49 -0.97 119.26 121.99 1gm1 h ALA 81 Ca -0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1gm1 h ALA 81 Cb 0.47 -0.15 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1gm1 h ALA 81 CO -0.04 0.57 -0.05 0.28 0.00 0.00 0.00 179.25 180.01 1gm1 h VAL 82 N 0.60 1.02 -0.59 0.00 2.07 -1.28 0.70 116.25 118.77 1gm1 h VAL 82 Ca 0.10 -0.46 0.01 0.00 0.82 0.00 0.00 66.70 67.17 1gm1 h VAL 82 Cb 0.59 1.31 -0.03 0.00 -1.52 0.00 0.00 31.29 31.64 1gm1 h VAL 82 CO 0.04 0.11 0.39 -0.33 0.02 0.00 0.00 177.57 177.80 1gm1 h GLU 83 N -0.35 0.76 0.10 1.57 5.08 -0.77 0.59 114.58 121.57 1gm1 h GLU 83 Ca -0.01 -0.05 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 1gm1 h GLU 83 Cb 0.29 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.37 1gm1 h GLU 83 CO 0.02 0.51 -0.05 1.15 -1.00 0.00 0.00 179.01 179.64 1gm1 h THR 84 N 0.79 0.99 -0.13 1.13 2.02 -1.03 -1.86 112.91 114.81 1gm1 h THR 84 Ca 0.22 -0.31 -0.07 0.00 0.77 0.00 0.00 66.41 67.01 1gm1 h THR 84 Cb -0.08 1.19 -0.01 0.00 -1.74 0.00 0.00 68.15 67.51 1gm1 h THR 84 CO -0.05 0.08 -0.22 -0.07 0.37 0.00 0.00 175.52 175.63 1gm1 h LEU 85 N -0.28 0.22 -1.27 2.58 3.38 -0.37 -2.10 115.31 117.47 1gm1 h LEU 85 Ca -0.01 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.82 1gm1 h LEU 85 Cb 0.23 -0.06 -0.01 0.00 0.09 0.00 0.00 40.66 40.91 1gm1 h LEU 85 CO 0.02 0.46 -0.35 0.03 0.09 0.00 0.00 178.44 178.69 1gm1 h ARG 86 N 0.21 0.00 -1.46 1.13 2.47 -0.86 -3.05 114.38 112.82 1gm1 h ARG 86 Ca 0.04 0.00 -0.47 0.00 -1.26 0.00 0.00 59.98 58.28 1gm1 h ARG 86 Cb 0.52 0.00 -0.19 0.00 -1.65 0.00 0.00 29.97 28.64 1gm1 h ARG 86 CO 0.04 0.35 0.58 -1.71 0.56 0.00 0.00 179.97 179.78 1gm1 n ASN 87 N -3.90 6.89 -4.93 7.04 5.15 -0.71 -4.92 115.26 119.87 1gm1 n ASN 87 Ca -0.02 -3.33 -0.27 0.00 -0.60 0.00 0.00 54.58 50.36 1gm1 n ASN 87 Cb 0.41 -1.06 -0.03 0.00 -0.53 0.00 0.00 39.78 38.57 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 -3.17 5.29 0.00 -0.44 -4.23 -1.15 -4.98 115.64 106.96 1gm1 s THR 88 Ca 0.46 -0.52 0.00 0.00 -1.18 0.00 0.00 61.69 60.44 1gm1 s THR 88 Cb 0.35 -3.72 0.00 0.00 1.34 0.00 0.00 72.50 70.47 1gm1 s THR 88 CO -0.06 -0.08 0.00 0.61 -0.54 0.00 0.00 174.62 174.55 1gm1 n GLY 89 N -0.44 2.70 0.09 3.99 0.00 -1.26 -5.08 105.19 105.18 1gm1 n GLY 89 Ca -0.06 -1.41 -0.03 0.00 0.00 0.00 0.00 46.02 44.51 1gm1 n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 90 N 0.00 -0.20 -4.97 1.61 4.20 -1.94 -3.44 115.11 110.37 1gm1 h GLN 90 Ca 0.00 0.01 -0.64 0.00 0.06 0.00 0.00 58.65 58.09 1gm1 h GLN 90 Cb 0.00 0.05 -0.16 0.00 0.30 0.00 0.00 27.48 27.66 1gm1 h GLN 90 CO 0.00 -0.14 -0.47 0.08 -0.67 0.00 0.00 178.83 177.63 1gm1 s VAL 91 N -2.54 5.29 -0.21 -0.54 1.01 -1.26 -1.42 120.40 120.73 1gm1 s VAL 91 Ca -0.03 0.24 -0.02 0.00 0.00 0.00 0.00 61.98 62.16 1gm1 s VAL 91 Cb 0.00 -3.55 0.00 0.00 0.00 0.00 0.00 36.38 32.83 1gm1 s VAL 91 CO 0.09 0.25 -0.09 -0.69 0.00 0.00 0.00 175.10 174.66 1gm1 s VAL 92 N 1.72 2.95 -0.74 2.92 1.01 0.18 -4.95 120.40 123.48 1gm1 s VAL 92 Ca 0.08 -0.67 -0.07 0.00 0.00 0.00 0.00 61.98 61.32 1gm1 s VAL 92 Cb -0.16 -2.34 0.19 0.00 0.00 0.00 0.00 36.38 34.08 1gm1 s VAL 92 CO 0.10 0.43 0.62 -2.28 0.00 0.00 0.00 175.10 173.97 1gm1 s HIS 93 N 1.41 3.61 0.33 5.22 2.46 -1.26 -0.97 115.29 126.09 1gm1 s HIS 93 Ca 0.05 -2.49 -0.03 0.00 0.47 0.00 0.00 55.06 53.06 1gm1 s HIS 93 Cb -0.14 -3.45 -0.04 0.00 -0.13 0.00 0.00 32.58 28.82 1gm1 s HIS 93 CO -0.06 -0.89 0.58 -0.51 -2.47 0.00 0.00 174.74 171.39 1gm1 s LEU 94 N -0.17 3.99 -0.08 8.88 1.43 0.12 -0.83 118.68 132.03 1gm1 s LEU 94 Ca 0.19 0.65 0.02 0.00 -1.03 0.00 0.00 54.13 53.96 1gm1 s LEU 94 Cb -0.15 -3.50 0.01 0.00 0.03 0.00 0.00 46.19 42.58 1gm1 s LEU 94 CO -0.06 -0.28 -0.14 -0.22 0.23 0.00 0.00 176.35 175.88 1gm1 s LEU 95 N -3.96 1.68 0.09 1.79 2.96 -0.50 -0.14 118.68 120.60 1gm1 s LEU 95 Ca 0.43 -0.34 -0.04 0.00 -0.22 0.00 0.00 54.13 53.96 1gm1 s LEU 95 Cb -0.10 -0.92 -0.03 0.00 0.50 0.00 0.00 46.19 45.64 1gm1 s LEU 95 CO 0.34 0.04 0.07 -1.48 -1.32 0.00 0.00 176.35 174.00 1gm1 s LEU 96 N 0.71 1.94 -0.08 -0.68 -0.00 -0.59 -0.75 118.68 119.24 1gm1 s LEU 96 Ca -0.13 -0.94 0.05 0.00 -0.00 0.00 0.00 54.13 53.10 1gm1 s LEU 96 Cb -0.16 0.52 -0.00 0.00 -0.00 0.00 0.00 46.19 46.55 1gm1 s LEU 96 CO 0.03 -0.68 -0.24 -0.70 -0.00 0.00 0.00 176.35 174.76 1gm1 s GLU 97 N -3.93 2.81 0.13 1.48 2.12 -0.19 -1.66 118.70 119.46 1gm1 s GLU 97 Ca 0.11 -0.87 -0.30 0.00 0.36 0.00 0.00 54.97 54.26 1gm1 s GLU 97 Cb 0.07 -2.21 -0.06 0.00 0.26 0.00 0.00 34.13 32.18 1gm1 s GLU 97 CO -0.07 0.25 1.06 0.21 -0.54 0.00 0.00 175.26 176.17 1gm1 s LYS 98 N 0.16 4.61 0.51 4.30 2.47 0.84 -0.99 119.74 131.62 1gm1 s LYS 98 Ca -0.13 1.61 -0.04 0.00 -1.56 0.00 0.00 55.97 55.85 1gm1 s LYS 98 Cb -0.16 -3.33 -0.01 0.00 -1.46 0.00 0.00 37.83 32.86 1gm1 s LYS 98 CO 0.07 0.07 0.79 0.20 0.16 0.00 0.00 175.35 176.65 1gm1 s GLY 99 N 0.14 1.54 0.79 5.54 0.00 -1.25 -1.49 107.32 112.59 1gm1 s GLY 99 Ca 0.50 -0.69 -0.07 0.00 0.00 0.00 0.00 44.72 44.47 1gm1 s GLY 99 CO 0.32 -0.48 1.10 1.62 0.00 0.00 0.00 173.10 175.65 1gm1 s GLN 100 N -4.78 1.47 -0.10 2.90 0.74 -1.26 -4.70 119.66 113.93 1gm1 s GLN 100 Ca 0.49 -0.73 -0.02 0.00 0.05 0.00 0.00 55.36 55.15 1gm1 s GLN 100 Cb -0.10 -2.15 0.04 0.00 1.10 0.00 0.00 33.01 31.89 1gm1 s GLN 100 CO 0.43 -1.70 0.02 0.54 -0.55 0.00 0.00 175.29 174.03 1gm1 s VAL 101 N -3.39 0.37 -2.00 1.34 0.11 -1.26 -4.89 120.40 110.69 1gm1 s VAL 101 Ca 0.67 -0.04 0.29 0.00 -2.93 0.00 0.00 61.98 59.97 1gm1 s VAL 101 Cb -0.06 -0.64 0.83 0.00 -1.53 0.00 0.00 36.38 34.98 1gm1 s VAL 101 CO 0.47 0.12 2.08 -0.81 -3.33 0.00 0.00 175.10 173.63