#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 -2.59 -0.73 -1.58 -0.02 -1.26 -4.64 135.00 124.18 1gm1 n PRO 10 Ca 0.00 -1.30 0.00 0.00 -2.02 0.00 0.00 63.50 60.18 1gm1 n PRO 10 Cb 0.00 -1.21 0.00 0.00 -0.02 0.00 0.00 33.50 32.27 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 -2.89 0.93 3.62 -1.23 0.00 -1.02 -5.04 105.19 99.56 1gm1 n GLY 11 Ca 0.11 -0.49 -0.42 0.00 0.00 0.00 0.00 46.02 45.22 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 -2.49 6.71 0.07 1.61 2.15 -1.25 -4.86 116.67 118.60 1gm1 s ASP 12 Ca 0.00 0.75 -0.20 0.00 0.43 0.00 0.00 52.55 53.53 1gm1 s ASP 12 Cb 0.00 -2.42 -0.07 0.00 -0.30 0.00 0.00 42.92 40.13 1gm1 s ASP 12 CO 0.00 -0.62 0.58 0.42 -0.17 0.00 0.00 175.17 175.38 1gm1 s THR 13 N 2.99 4.75 -0.10 1.71 -4.23 -1.26 -0.25 115.64 119.25 1gm1 s THR 13 Ca 0.34 1.25 -0.09 0.00 -1.18 0.00 0.00 61.69 62.00 1gm1 s THR 13 Cb -0.14 -3.92 0.03 0.00 1.34 0.00 0.00 72.50 69.81 1gm1 s THR 13 CO 0.12 0.53 0.26 0.72 -0.54 0.00 0.00 174.62 175.72 1gm1 s PHE 14 N -0.97 -0.28 0.17 3.99 -0.12 -0.82 -4.98 117.98 114.98 1gm1 s PHE 14 Ca 0.30 0.68 -0.13 0.00 -0.05 0.00 0.00 56.93 57.73 1gm1 s PHE 14 Cb -0.19 0.10 -0.07 0.00 -0.63 0.00 0.00 43.02 42.22 1gm1 s PHE 14 CO 0.19 -0.15 0.55 -1.21 -0.05 0.00 0.00 175.22 174.55 1gm1 s GLU 15 N 0.07 3.93 -0.24 1.99 2.02 -1.26 -2.14 118.70 123.06 1gm1 s GLU 15 Ca -0.01 0.43 0.02 0.00 0.02 0.00 0.00 54.97 55.43 1gm1 s GLU 15 Cb -0.02 -2.84 0.06 0.00 0.10 0.00 0.00 34.13 31.43 1gm1 s GLU 15 CO 0.00 0.42 -0.09 0.08 0.02 0.00 0.00 175.26 175.70 1gm1 s VAL 16 N -1.58 1.85 -0.89 2.63 1.01 0.06 -4.99 120.40 118.48 1gm1 s VAL 16 Ca 0.41 -1.40 -0.07 0.00 0.00 0.00 0.00 61.98 60.92 1gm1 s VAL 16 Cb -0.14 -2.02 0.23 0.00 0.00 0.00 0.00 36.38 34.45 1gm1 s VAL 16 CO 0.20 -0.04 0.81 -1.61 0.00 0.00 0.00 175.10 174.45 1gm1 s GLU 17 N 1.25 3.47 0.02 2.72 2.02 -1.26 -0.86 118.70 126.06 1gm1 s GLU 17 Ca -0.07 -2.96 0.04 0.00 0.02 0.00 0.00 54.97 52.00 1gm1 s GLU 17 Cb -0.19 -4.18 -0.03 0.00 0.10 0.00 0.00 34.13 29.83 1gm1 s GLU 17 CO -0.06 -1.25 -0.06 -1.17 0.02 0.00 0.00 175.26 172.74 1gm1 s LEU 18 N -0.78 3.19 -0.12 1.80 2.96 -0.48 -4.95 118.68 120.31 1gm1 s LEU 18 Ca 0.24 -0.16 -0.05 0.00 -0.22 0.00 0.00 54.13 53.94 1gm1 s LEU 18 Cb -0.11 -1.85 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 1gm1 s LEU 18 CO -0.09 0.27 0.07 0.00 -1.32 0.00 0.00 176.35 175.28 1gm1 s ALA 19 N -1.04 3.57 0.51 5.97 0.00 -1.26 0.52 121.76 130.03 1gm1 s ALA 19 Ca 0.18 -0.72 -0.21 0.00 0.00 0.00 0.00 51.96 51.21 1gm1 s ALA 19 Cb -0.11 -1.77 -0.07 0.00 0.00 0.00 0.00 23.12 21.17 1gm1 s ALA 19 CO 0.09 0.54 1.12 -1.59 0.00 0.00 0.00 175.76 175.91 1gm1 s LYS 20 N -0.75 3.56 -0.32 0.00 -2.85 -0.66 -4.84 119.74 113.88 1gm1 s LYS 20 Ca 0.12 1.60 -0.06 0.00 -1.00 0.00 0.00 55.97 56.64 1gm1 s LYS 20 Cb -0.12 -2.13 0.03 0.00 -2.06 0.00 0.00 37.83 33.55 1gm1 s LYS 20 CO 0.03 -0.68 0.08 -0.08 0.10 0.00 0.00 175.35 174.80 1gm1 s THR 21 N -1.75 3.75 -1.48 3.79 -1.32 -0.58 -4.68 115.64 113.37 1gm1 s THR 21 Ca 0.69 -1.02 -0.01 0.00 -1.21 0.00 0.00 61.69 60.15 1gm1 s THR 21 Cb -0.24 -3.06 0.00 0.00 -1.51 0.00 0.00 72.50 67.69 1gm1 s THR 21 CO 0.27 -0.09 0.18 -0.67 -2.21 0.00 0.00 174.62 172.11 1gm1 n ASP 22 N 4.81 0.32 0.00 8.08 2.03 -1.26 -1.26 116.55 129.28 1gm1 n ASP 22 Ca -0.13 -1.17 0.00 0.00 0.52 0.00 0.00 54.79 54.01 1gm1 n ASP 22 Cb 0.46 -2.18 0.00 0.00 -0.72 0.00 0.00 41.12 38.67 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 -2.34 3.08 3.86 0.27 0.00 -1.26 -5.06 105.19 103.75 1gm1 n GLY 23 Ca -0.32 -0.87 -0.32 0.00 0.00 0.00 0.00 46.02 44.52 1gm1 n GLY 23 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1gm1 s SER 24 N 0.04 6.05 -0.07 1.61 0.01 -0.39 -4.99 113.70 115.96 1gm1 s SER 24 Ca 0.00 0.19 -0.10 0.00 1.31 0.00 0.00 55.95 57.35 1gm1 s SER 24 Cb 0.00 -1.80 -0.03 0.00 0.21 0.00 0.00 66.02 64.40 1gm1 s SER 24 CO 0.00 0.20 -0.20 0.18 0.41 0.00 0.00 173.24 173.83 1gm1 n LEU 25 N 0.57 1.44 0.00 2.44 7.99 -1.26 -1.53 117.00 126.64 1gm1 n LEU 25 Ca -0.08 0.23 0.00 0.00 -0.01 0.00 0.00 56.01 56.15 1gm1 n LEU 25 Cb 0.52 -0.57 0.00 0.00 -0.11 0.00 0.00 43.42 43.26 1gm1 n LEU 25 CO 0.47 -0.44 0.00 0.61 -1.51 0.00 0.00 177.39 176.51 1gm1 n GLY 26 N 2.14 1.77 3.22 -0.72 0.00 -1.26 -0.13 105.19 110.21 1gm1 n GLY 26 Ca -0.08 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.67 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 1.63 -0.09 -0.61 -4.36 -1.26 -1.36 121.20 113.16 1gm1 s ILE 27 Ca 0.00 -0.88 0.01 0.00 -0.26 0.00 0.00 60.65 59.52 1gm1 s ILE 27 Cb 0.00 -1.36 0.02 0.00 1.25 0.00 0.00 42.46 42.37 1gm1 s ILE 27 CO 0.00 0.46 -0.10 -0.55 0.24 0.00 0.00 174.94 174.99 1gm1 s SER 28 N -0.46 1.92 0.40 4.36 0.15 -0.75 -4.94 113.70 114.37 1gm1 s SER 28 Ca 0.07 -0.29 0.08 0.00 0.70 0.00 0.00 55.95 56.50 1gm1 s SER 28 Cb -0.08 -0.82 -0.03 0.00 -1.71 0.00 0.00 66.02 63.38 1gm1 s SER 28 CO -0.01 -0.04 0.31 0.68 1.20 0.00 0.00 173.24 175.39 1gm1 s VAL 29 N 1.13 2.74 0.10 4.45 -7.23 -1.26 -0.20 120.40 120.12 1gm1 s VAL 29 Ca -0.06 -1.44 -0.11 0.00 -1.81 0.00 0.00 61.98 58.57 1gm1 s VAL 29 Cb -0.14 -3.02 0.01 0.00 0.56 0.00 0.00 36.38 33.78 1gm1 s VAL 29 CO -0.02 -0.04 0.25 0.28 -0.31 0.00 0.00 175.10 175.26 1gm1 s THR 30 N -2.47 0.12 -0.13 5.32 -1.32 0.37 -4.59 115.64 112.94 1gm1 s THR 30 Ca 0.45 -1.02 0.00 0.00 -1.21 0.00 0.00 61.69 59.91 1gm1 s THR 30 Cb -0.02 -1.30 0.00 0.00 -1.51 0.00 0.00 72.50 69.67 1gm1 s THR 30 CO 0.26 -0.56 0.00 0.61 -2.21 0.00 0.00 174.62 172.73 1gm1 n GLY 31 N -0.11 0.12 0.00 6.08 0.00 -1.26 -0.55 105.19 109.47 1gm1 n GLY 31 Ca -0.15 -1.86 0.00 0.00 0.00 0.00 0.00 46.02 44.01 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 2.71 0.09 -0.02 0.00 -0.54 -3.71 105.19 103.73 1gm1 n GLY 32 Ca 0.00 -2.08 -0.05 0.00 0.00 0.00 0.00 46.02 43.89 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 0.79 0.00 1.61 3.04 -1.55 -3.31 116.25 116.84 1gm1 h VAL 33 Ca 0.00 -2.49 0.00 0.00 -1.01 0.00 0.00 66.70 63.20 1gm1 h VAL 33 Cb 0.00 2.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.60 1gm1 h VAL 33 CO 0.00 0.45 -0.33 0.78 -1.01 0.00 0.00 177.57 177.46 1gm1 h ASN 34 N 0.00 0.00 -3.13 3.17 4.21 -1.91 -3.44 115.58 114.47 1gm1 h ASN 34 Ca -0.21 -0.06 -0.59 0.00 1.21 0.00 0.00 56.30 56.65 1gm1 h ASN 34 Cb 1.82 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 38.98 1gm1 h ASN 34 CO 0.07 0.03 -0.26 0.42 -1.29 0.00 0.00 177.43 176.40 1gm1 s THR 35 N -3.19 5.12 -1.43 2.81 -4.23 -1.26 -5.00 115.64 108.45 1gm1 s THR 35 Ca 0.07 0.32 -0.07 0.00 -1.18 0.00 0.00 61.69 60.82 1gm1 s THR 35 Cb 0.10 -3.63 0.04 0.00 1.34 0.00 0.00 72.50 70.35 1gm1 s THR 35 CO 0.68 0.20 2.57 -1.20 -0.54 0.00 0.00 174.62 176.34 1gm1 n SER 36 N 0.62 8.13 0.00 3.99 7.64 -1.26 -4.79 113.62 127.95 1gm1 n SER 36 Ca -0.06 -2.93 0.00 0.00 1.01 0.00 0.00 58.87 56.89 1gm1 n SER 36 Cb 0.52 -1.44 0.00 0.00 -1.01 0.00 0.00 64.21 62.28 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 2.52 0.00 0.41 0.44 0.24 -1.26 -5.02 118.33 115.65 1gm1 n VAL 37 Ca 0.67 0.00 -0.16 0.00 -2.04 0.00 0.00 64.34 62.81 1gm1 n VAL 37 Cb 0.25 0.00 -0.08 0.00 -1.47 0.00 0.00 33.84 32.54 1gm1 n VAL 37 CO 0.00 0.00 0.00 -0.09 -2.14 0.00 0.00 176.83 174.60 1gm1 h ARG 38 N 0.00 -1.01 0.00 7.34 9.65 -1.87 -3.47 114.38 125.03 1gm1 h ARG 38 Ca 0.00 0.07 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 1gm1 h ARG 38 Cb 0.00 0.23 0.00 0.00 -1.39 0.00 0.00 29.97 28.81 1gm1 h ARG 38 CO 0.00 -0.67 0.00 1.58 2.80 0.00 0.00 179.97 183.68 1gm1 n HIS 39 N -5.15 0.00 -3.11 2.20 -0.00 -1.26 -4.98 115.22 102.91 1gm1 n HIS 39 Ca -0.13 0.00 -0.13 0.00 -0.00 0.00 0.00 57.72 57.46 1gm1 n HIS 39 Cb 0.41 0.00 0.07 0.00 -0.00 0.00 0.00 29.99 30.47 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 -0.17 3.30 1.57 0.00 -1.24 -5.02 105.19 103.62 1gm1 n GLY 40 Ca 0.00 -0.03 -0.31 0.00 0.00 0.00 0.00 46.02 45.68 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 -3.98 1.30 -0.26 -0.02 0.00 -1.26 -4.69 107.32 98.41 1gm1 s GLY 41 Ca 0.04 -1.08 -0.09 0.00 0.00 0.00 0.00 44.72 43.59 1gm1 s GLY 41 CO 0.56 -0.79 0.12 -0.42 0.00 0.00 0.00 173.10 172.57 1gm1 s ILE 42 N -0.41 4.76 0.24 0.90 -1.09 -1.26 -1.46 121.20 122.88 1gm1 s ILE 42 Ca 0.04 -0.02 0.09 0.00 -2.23 0.00 0.00 60.65 58.52 1gm1 s ILE 42 Cb -0.12 -3.24 -0.05 0.00 -1.58 0.00 0.00 42.46 37.47 1gm1 s ILE 42 CO 0.01 0.31 -0.14 -0.31 -1.23 0.00 0.00 174.94 173.58 1gm1 s TYR 43 N 1.57 1.92 0.01 3.97 1.51 0.28 -0.86 117.35 125.75 1gm1 s TYR 43 Ca 0.06 -0.53 -0.30 0.00 -1.01 0.00 0.00 57.07 55.29 1gm1 s TYR 43 Cb -0.15 -0.92 -0.04 0.00 -0.11 0.00 0.00 41.96 40.74 1gm1 s TYR 43 CO 0.06 0.44 1.17 0.08 -1.11 0.00 0.00 175.55 176.20 1gm1 s VAL 44 N -2.85 4.22 -0.21 0.71 1.01 0.30 -0.48 120.40 123.10 1gm1 s VAL 44 Ca 0.26 1.58 -0.21 0.00 0.00 0.00 0.00 61.98 63.61 1gm1 s VAL 44 Cb -0.01 -4.01 -0.18 0.00 0.00 0.00 0.00 36.38 32.17 1gm1 s VAL 44 CO 0.10 0.08 0.19 0.50 0.00 0.00 0.00 175.10 175.97 1gm1 h LYS 45 N 7.04 0.00 -3.18 2.72 3.64 -0.83 -1.97 116.57 123.99 1gm1 h LYS 45 Ca -0.39 0.00 -0.12 0.00 -1.27 0.00 0.00 60.65 58.87 1gm1 h LYS 45 Cb 1.20 0.00 -0.20 0.00 -0.41 0.00 0.00 32.23 32.82 1gm1 h LYS 45 CO 0.83 0.96 -0.32 0.00 -2.27 0.00 0.00 179.45 178.65 1gm1 s ALA 46 N -2.38 -0.67 -0.21 5.00 0.00 -0.92 -4.69 121.76 117.89 1gm1 s ALA 46 Ca -0.28 0.17 -0.04 0.00 0.00 0.00 0.00 51.96 51.81 1gm1 s ALA 46 Cb 0.06 0.12 -0.02 0.00 0.00 0.00 0.00 23.12 23.28 1gm1 s ALA 46 CO 0.57 -0.27 -0.02 -1.50 0.00 0.00 0.00 175.76 174.54 1gm1 s ILE 47 N -1.54 3.64 -0.16 0.00 1.10 -1.26 -1.82 121.20 121.16 1gm1 s ILE 47 Ca -0.12 -0.41 -0.29 0.00 -0.51 0.00 0.00 60.65 59.32 1gm1 s ILE 47 Cb -0.05 -2.66 -0.01 0.00 0.15 0.00 0.00 42.46 39.89 1gm1 s ILE 47 CO 0.03 0.42 1.19 -0.63 -2.11 0.00 0.00 174.94 173.83 1gm1 s ILE 48 N 1.31 4.40 0.05 2.00 -1.09 -0.46 -4.97 121.20 122.43 1gm1 s ILE 48 Ca 0.04 1.69 -0.32 0.00 -2.23 0.00 0.00 60.65 59.83 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 -0.12 1.87 -2.65 -1.23 0.00 0.00 174.94 172.80 1gm1 n PRO 49 N 6.27 2.62 -0.89 2.79 -0.02 -1.26 -2.29 135.00 142.21 1gm1 n PRO 49 Ca 0.13 0.96 0.00 0.00 -2.02 0.00 0.00 63.50 62.56 1gm1 n PRO 49 Cb 0.45 -2.85 0.00 0.00 -0.02 0.00 0.00 33.50 31.09 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 6.24 0.00 -2.17 -0.52 5.02 -1.26 -5.07 118.16 120.40 1gm1 n LYS 50 Ca 0.20 0.43 -0.29 0.00 -2.02 0.00 0.00 58.31 56.63 1gm1 n LYS 50 Cb 0.36 -3.49 0.02 0.00 -0.02 0.00 0.00 35.03 31.89 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 -2.88 1.60 0.14 0.72 0.00 -0.97 -4.92 107.32 101.01 1gm1 s GLY 51 Ca 0.00 -0.37 -0.28 0.00 0.00 0.00 0.00 44.72 44.07 1gm1 s GLY 51 CO 0.00 -0.10 1.58 0.00 0.00 0.00 0.00 173.10 174.58 1gm1 h ALA 52 N -0.23 -0.53 0.22 3.20 0.00 -0.89 -1.29 119.26 119.75 1gm1 h ALA 52 Ca -0.45 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.47 1gm1 h ALA 52 Cb 1.22 0.83 0.00 0.00 0.00 0.00 0.00 17.79 19.85 1gm1 h ALA 52 CO 0.62 -0.90 -0.11 0.00 0.00 0.00 0.00 179.25 178.86 1gm1 h ALA 53 N 0.23 -0.30 -0.38 0.00 0.00 -0.83 -3.02 119.26 114.96 1gm1 h ALA 53 Ca 0.10 -0.12 0.04 0.00 0.00 0.00 0.00 54.91 54.93 1gm1 h ALA 53 Cb 0.61 0.12 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1gm1 h ALA 53 CO -0.47 -0.60 -0.30 1.49 0.00 0.00 0.00 179.25 179.38 1gm1 h GLU 54 N -0.44 -0.09 0.00 0.00 4.22 -1.68 -2.68 114.58 113.91 1gm1 h GLU 54 Ca -0.03 0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.42 1gm1 h GLU 54 Cb 0.34 0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.61 1gm1 h GLU 54 CO 0.05 -0.06 0.00 0.43 -2.18 0.00 0.00 179.01 177.25 1gm1 n SER 55 N -4.12 0.61 0.07 1.04 7.64 -0.49 -3.30 113.62 115.06 1gm1 n SER 55 Ca -0.00 0.65 -0.04 0.00 1.01 0.00 0.00 58.87 60.49 1gm1 n SER 55 Cb 0.15 -0.78 -0.02 0.00 -1.01 0.00 0.00 64.21 62.56 1gm1 n SER 55 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1gm1 h ASP 56 N 0.00 -0.20 -1.93 6.43 3.58 -1.34 -3.50 116.42 119.46 1gm1 h ASP 56 Ca 0.00 0.01 -0.01 0.00 0.42 0.00 0.00 57.03 57.45 1gm1 h ASP 56 Cb 0.35 0.05 0.01 0.00 1.72 0.00 0.00 39.33 41.46 1gm1 h ASP 56 CO 0.00 0.05 -0.03 0.61 -2.88 0.00 0.00 179.24 177.00 1gm1 n GLY 57 N 0.87 0.51 0.14 -0.78 0.00 -1.11 -4.93 105.19 99.90 1gm1 n GLY 57 Ca -0.03 -0.50 -0.23 0.00 0.00 0.00 0.00 46.02 45.26 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 -0.07 0.42 -5.93 1.61 3.08 -1.91 -3.46 114.38 108.12 1gm1 h ARG 58 Ca -0.02 -0.72 -0.58 0.00 0.07 0.00 0.00 59.98 58.73 1gm1 h ARG 58 Cb 1.01 0.27 -0.07 0.00 0.08 0.00 0.00 29.97 31.26 1gm1 h ARG 58 CO 0.02 1.34 0.52 0.42 -1.07 0.00 0.00 179.97 181.20 1gm1 s ILE 59 N -2.58 4.81 0.41 2.04 1.01 -1.26 -4.88 121.20 120.74 1gm1 s ILE 59 Ca -0.15 1.72 0.05 0.00 0.00 0.00 0.00 60.65 62.27 1gm1 s ILE 59 Cb 0.05 -4.18 -0.06 0.00 0.01 0.00 0.00 42.46 38.28 1gm1 s ILE 59 CO 0.87 -0.06 0.02 -1.00 0.00 0.00 0.00 174.94 174.77 1gm1 s HIS 60 N 2.65 2.27 0.17 3.97 3.76 -1.26 -4.83 115.29 122.01 1gm1 s HIS 60 Ca 0.39 -0.80 -0.32 0.00 -0.15 0.00 0.00 55.06 54.18 1gm1 s HIS 60 Cb -0.16 -1.62 -0.11 0.00 1.11 0.00 0.00 32.58 31.80 1gm1 s HIS 60 CO 0.09 0.29 1.76 0.21 -0.85 0.00 0.00 174.74 176.24 1gm1 s LYS 61 N -3.77 4.14 0.00 1.40 2.20 -1.26 -2.41 119.74 120.03 1gm1 s LYS 61 Ca 0.30 2.58 0.00 0.00 -0.36 0.00 0.00 55.97 58.49 1gm1 s LYS 61 Cb 0.08 -3.32 0.00 0.00 -1.51 0.00 0.00 37.83 33.08 1gm1 s LYS 61 CO 0.15 -0.78 0.00 0.41 -0.36 0.00 0.00 175.35 174.76 1gm1 n GLY 62 N 4.08 0.71 3.83 5.54 0.00 -0.74 -5.00 105.19 113.62 1gm1 n GLY 62 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -2.91 6.87 -0.14 1.61 1.01 -1.01 -4.62 116.67 117.48 1gm1 s ASP 63 Ca 0.00 1.53 -0.20 0.00 0.71 0.00 0.00 52.55 54.60 1gm1 s ASP 63 Cb 0.00 -2.48 -0.04 0.00 1.01 0.00 0.00 42.92 41.42 1gm1 s ASP 63 CO 0.00 -0.30 0.56 -0.60 0.21 0.00 0.00 175.17 175.04 1gm1 s ARG 64 N -3.12 4.31 0.03 8.23 3.52 -1.23 -0.54 118.95 130.15 1gm1 s ARG 64 Ca 0.59 0.57 -0.27 0.00 -0.13 0.00 0.00 55.73 56.49 1gm1 s ARG 64 Cb -0.09 -3.49 -0.05 0.00 -1.56 0.00 0.00 34.95 29.76 1gm1 s ARG 64 CO 0.15 0.01 0.84 0.08 -0.81 0.00 0.00 175.30 175.57 1gm1 s VAL 65 N 1.07 4.77 -0.16 7.11 1.01 -0.04 -1.59 120.40 132.57 1gm1 s VAL 65 Ca 0.29 1.78 -0.10 0.00 0.00 0.00 0.00 61.98 63.95 1gm1 s VAL 65 Cb -0.16 -4.19 -0.07 0.00 0.00 0.00 0.00 36.38 31.96 1gm1 s VAL 65 CO 0.12 0.29 -0.23 0.18 0.00 0.00 0.00 175.10 175.46 1gm1 n LEU 66 N 3.21 1.35 -3.73 3.92 4.32 -0.50 -4.54 117.00 121.02 1gm1 n LEU 66 Ca 0.01 0.23 -0.13 0.00 -0.02 0.00 0.00 56.01 56.09 1gm1 n LEU 66 Cb 0.50 -0.55 -0.10 0.00 -1.62 0.00 0.00 43.42 41.66 1gm1 n LEU 66 CO 0.49 0.23 0.08 0.00 -1.22 0.00 0.00 177.39 176.97 1gm1 s ALA 67 N -2.38 -1.00 -0.20 -1.18 0.00 -0.96 -2.23 121.76 113.82 1gm1 s ALA 67 Ca -0.24 1.06 -0.02 0.00 0.00 0.00 0.00 51.96 52.75 1gm1 s ALA 67 Cb 0.08 -0.57 0.00 0.00 0.00 0.00 0.00 23.12 22.64 1gm1 s ALA 67 CO 0.31 -0.20 -0.10 0.08 0.00 0.00 0.00 175.76 175.85 1gm1 s VAL 68 N 0.01 2.88 -0.41 0.00 1.01 -0.00 -0.95 120.40 122.94 1gm1 s VAL 68 Ca -0.02 -0.66 0.00 0.00 0.00 0.00 0.00 61.98 61.30 1gm1 s VAL 68 Cb -0.03 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 34.07 1gm1 s VAL 68 CO 0.01 0.47 0.00 -3.20 0.00 0.00 0.00 175.10 172.38 1gm1 n ASN 69 N 4.70 -3.76 0.00 3.32 2.85 0.43 -1.13 115.26 121.67 1gm1 n ASN 69 Ca -0.19 0.10 0.00 0.00 -0.11 0.00 0.00 54.58 54.37 1gm1 n ASN 69 Cb 0.51 -1.60 0.00 0.00 1.24 0.00 0.00 39.78 39.93 1gm1 n ASN 69 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1gm1 n GLY 70 N -2.13 0.88 3.56 8.20 0.00 -1.26 -5.01 105.19 109.44 1gm1 n GLY 70 Ca -0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.59 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 -2.97 5.23 -0.03 1.61 1.01 -0.28 -5.06 120.40 119.92 1gm1 s VAL 71 Ca 0.00 0.11 -0.30 0.00 0.00 0.00 0.00 61.98 61.79 1gm1 s VAL 71 Cb 0.00 -3.70 -0.04 0.00 0.00 0.00 0.00 36.38 32.64 1gm1 s VAL 71 CO 0.00 0.06 1.24 -0.55 0.00 0.00 0.00 175.10 175.85 1gm1 s SER 72 N 1.72 7.01 -0.40 3.32 0.15 -1.26 -0.82 113.70 123.41 1gm1 s SER 72 Ca 0.10 1.91 -0.01 0.00 0.70 0.00 0.00 55.95 58.65 1gm1 s SER 72 Cb -0.16 -2.56 0.29 0.00 -1.71 0.00 0.00 66.02 61.87 1gm1 s SER 72 CO 0.11 -0.60 1.99 0.00 1.20 0.00 0.00 173.24 175.94 1gm1 n LEU 73 N 5.06 6.70 -4.67 3.45 -0.00 -0.94 -4.90 117.00 121.70 1gm1 n LEU 73 Ca 0.11 -3.51 -0.43 0.00 -0.00 0.00 0.00 56.01 52.18 1gm1 n LEU 73 Cb 0.46 -1.02 -0.02 0.00 -0.00 0.00 0.00 43.42 42.84 1gm1 n LEU 73 CO 0.56 1.26 1.01 -1.61 -0.00 0.00 0.00 177.39 178.61 1gm1 s GLU 74 N -2.33 4.27 0.00 1.47 2.02 -1.26 -2.34 118.70 120.53 1gm1 s GLU 74 Ca 0.40 1.60 0.00 0.00 0.02 0.00 0.00 54.97 56.98 1gm1 s GLU 74 Cb 0.31 -3.69 0.00 0.00 0.10 0.00 0.00 34.13 30.85 1gm1 s GLU 74 CO -0.00 -0.62 0.00 0.41 0.02 0.00 0.00 175.26 175.07 1gm1 n GLY 75 N 3.48 0.45 3.79 -1.39 0.00 -1.26 -5.06 105.19 105.20 1gm1 n GLY 75 Ca 0.13 -0.79 -0.33 0.00 0.00 0.00 0.00 46.02 45.02 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 2.64 0.65 4.61 0.00 -0.99 -4.82 121.76 121.85 1gm1 s ALA 76 Ca 0.00 0.49 -0.01 0.00 0.00 0.00 0.00 51.96 52.44 1gm1 s ALA 76 Cb 0.00 -3.27 0.08 0.00 0.00 0.00 0.00 23.12 19.93 1gm1 s ALA 76 CO 0.00 -0.96 0.91 0.95 0.00 0.00 0.00 175.76 176.66 1gm1 s THR 77 N -2.34 2.37 0.16 0.00 -4.23 -1.26 -1.42 115.64 108.91 1gm1 s THR 77 Ca 0.66 -0.58 -0.20 0.00 -1.18 0.00 0.00 61.69 60.38 1gm1 s THR 77 Cb -0.18 -2.79 0.05 0.00 1.34 0.00 0.00 72.50 70.92 1gm1 s THR 77 CO 0.37 0.00 1.64 -0.74 -0.54 0.00 0.00 174.62 175.36 1gm1 h HIS 78 N -0.30 -0.47 0.21 3.99 2.76 -1.89 -2.82 115.15 116.62 1gm1 h HIS 78 Ca -0.40 0.04 -0.00 0.00 -2.20 0.00 0.00 60.37 57.81 1gm1 h HIS 78 Cb 1.28 0.26 -0.01 0.00 1.55 0.00 0.00 27.41 30.49 1gm1 h HIS 78 CO 0.09 -0.26 -0.17 -0.22 -1.30 0.00 0.00 177.93 176.07 1gm1 h LYS 79 N -0.15 -0.38 -0.71 5.26 1.63 -1.95 -3.26 116.57 117.00 1gm1 h LYS 79 Ca 0.16 0.03 -0.00 0.00 -0.85 0.00 0.00 60.65 59.98 1gm1 h LYS 79 Cb 0.40 0.09 -0.03 0.00 -0.60 0.00 0.00 32.23 32.08 1gm1 h LYS 79 CO -0.40 -0.26 0.44 0.37 -3.45 0.00 0.00 179.45 176.16 1gm1 h GLN 80 N -0.40 0.95 0.00 1.90 4.15 -1.90 0.18 115.11 119.99 1gm1 h GLN 80 Ca -0.01 -0.08 -0.00 0.00 0.77 0.00 0.00 58.65 59.33 1gm1 h GLN 80 Cb 0.36 -0.20 -0.00 0.00 0.21 0.00 0.00 27.48 27.85 1gm1 h GLN 80 CO -0.02 0.66 -0.01 0.00 -1.93 0.00 0.00 178.83 177.53 1gm1 h ALA 81 N 1.23 1.95 0.14 3.38 0.00 -1.63 0.73 119.26 125.06 1gm1 h ALA 81 Ca 0.25 -0.01 -0.19 0.00 0.00 0.00 0.00 54.91 54.96 1gm1 h ALA 81 Cb -0.06 -0.00 0.02 0.00 0.00 0.00 0.00 17.79 17.76 1gm1 h ALA 81 CO -0.05 0.01 -0.84 0.28 0.00 0.00 0.00 179.25 178.66 1gm1 h VAL 82 N 0.00 1.50 -0.78 0.00 2.07 -1.16 -2.53 116.25 115.35 1gm1 h VAL 82 Ca -0.00 -2.52 0.05 0.00 0.82 0.00 0.00 66.70 65.05 1gm1 h VAL 82 Cb 0.02 3.16 -0.05 0.00 -1.52 0.00 0.00 31.29 32.91 1gm1 h VAL 82 CO 0.00 0.72 0.51 -0.33 0.02 0.00 0.00 177.57 178.49 1gm1 h GLU 83 N -0.33 0.88 -0.56 1.57 5.08 -0.39 0.11 114.58 120.94 1gm1 h GLU 83 Ca -0.14 -0.05 -0.08 0.00 -1.00 0.00 0.00 59.36 58.08 1gm1 h GLU 83 Cb 1.65 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 30.68 1gm1 h GLU 83 CO 0.16 0.58 0.04 1.15 -1.00 0.00 0.00 179.01 179.93 1gm1 h THR 84 N 0.90 1.26 -0.29 1.13 2.02 -0.95 -2.46 112.91 114.53 1gm1 h THR 84 Ca 0.32 -1.07 -0.18 0.00 0.77 0.00 0.00 66.41 66.25 1gm1 h THR 84 Cb 0.14 0.85 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 1gm1 h THR 84 CO -0.10 0.38 -0.54 -0.07 0.37 0.00 0.00 175.52 175.57 1gm1 h LEU 85 N 0.85 0.98 -1.19 2.58 3.38 -0.90 -3.18 115.31 117.84 1gm1 h LEU 85 Ca 0.16 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1gm1 h LEU 85 Cb 0.49 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1gm1 h LEU 85 CO 0.02 1.32 -0.00 0.03 0.09 0.00 0.00 178.44 179.90 1gm1 h ARG 86 N 0.67 0.00 -2.16 1.13 3.08 -0.84 -3.10 114.38 113.15 1gm1 h ARG 86 Ca 0.02 0.00 -0.66 0.00 0.07 0.00 0.00 59.98 59.40 1gm1 h ARG 86 Cb 1.15 0.00 -0.20 0.00 0.08 0.00 0.00 29.97 30.99 1gm1 h ARG 86 CO 0.12 0.00 1.07 -1.71 -1.07 0.00 0.00 179.97 178.38 1gm1 n ASN 87 N -3.10 7.20 -4.70 7.04 5.15 -0.93 -4.96 115.26 120.97 1gm1 n ASN 87 Ca 0.01 -3.43 -0.33 0.00 -0.60 0.00 0.00 54.58 50.23 1gm1 n ASN 87 Cb 0.35 -1.21 -0.09 0.00 -0.53 0.00 0.00 39.78 38.30 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 -3.07 4.29 0.00 -0.44 -4.23 -1.18 -4.94 115.64 106.07 1gm1 s THR 88 Ca 0.53 -0.46 0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1gm1 s THR 88 Cb 0.33 -2.89 0.00 0.00 1.34 0.00 0.00 72.50 71.28 1gm1 s THR 88 CO -0.24 0.44 0.00 0.61 -0.54 0.00 0.00 174.62 174.90 1gm1 n GLY 89 N 1.60 0.39 0.15 3.99 0.00 -1.26 -5.01 105.19 105.05 1gm1 n GLY 89 Ca -0.16 -1.63 -0.13 0.00 0.00 0.00 0.00 46.02 44.11 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 -0.26 -5.38 1.61 4.15 -1.96 -3.42 115.11 109.85 1gm1 h GLN 90 Ca 0.00 0.02 -0.60 0.00 0.77 0.00 0.00 58.65 58.84 1gm1 h GLN 90 Cb 0.00 0.06 -0.12 0.00 0.21 0.00 0.00 27.48 27.63 1gm1 h GLN 90 CO 0.00 0.05 -0.28 0.08 -1.93 0.00 0.00 178.83 176.75 1gm1 s VAL 91 N -4.80 5.25 -0.34 2.39 1.01 -1.26 -1.66 120.40 120.99 1gm1 s VAL 91 Ca -0.15 0.58 -0.06 0.00 0.00 0.00 0.00 61.98 62.35 1gm1 s VAL 91 Cb 0.03 -3.67 0.04 0.00 0.00 0.00 0.00 36.38 32.78 1gm1 s VAL 91 CO 0.59 0.30 0.11 -0.69 0.00 0.00 0.00 175.10 175.41 1gm1 s VAL 92 N 1.09 3.74 -0.41 2.92 1.01 0.19 -4.98 120.40 123.96 1gm1 s VAL 92 Ca 0.16 -1.19 -0.19 0.00 0.00 0.00 0.00 61.98 60.76 1gm1 s VAL 92 Cb -0.14 -3.15 0.02 0.00 0.00 0.00 0.00 36.38 33.11 1gm1 s VAL 92 CO 0.06 -0.21 0.55 -2.28 0.00 0.00 0.00 175.10 173.22 1gm1 s HIS 93 N 1.39 3.13 0.27 5.22 2.46 -1.26 -1.39 115.29 125.11 1gm1 s HIS 93 Ca -0.01 -0.08 0.08 0.00 0.47 0.00 0.00 55.06 55.52 1gm1 s HIS 93 Cb -0.20 -3.10 -0.04 0.00 -0.13 0.00 0.00 32.58 29.11 1gm1 s HIS 93 CO 0.02 -0.73 0.09 -0.51 -2.47 0.00 0.00 174.74 171.15 1gm1 s LEU 94 N 2.51 3.43 -0.05 8.88 1.43 -0.04 -0.43 118.68 134.41 1gm1 s LEU 94 Ca 0.19 -0.52 0.03 0.00 -1.03 0.00 0.00 54.13 52.80 1gm1 s LEU 94 Cb -0.15 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.12 1gm1 s LEU 94 CO 0.16 -0.06 -0.14 -0.22 0.23 0.00 0.00 176.35 176.32 1gm1 s LEU 95 N -3.76 1.79 0.18 1.79 2.96 -0.12 -0.76 118.68 120.76 1gm1 s LEU 95 Ca 0.33 -0.31 -0.10 0.00 -0.22 0.00 0.00 54.13 53.83 1gm1 s LEU 95 Cb -0.06 -0.86 -0.00 0.00 0.50 0.00 0.00 46.19 45.76 1gm1 s LEU 95 CO 0.22 0.09 0.34 -1.48 -1.32 0.00 0.00 176.35 174.20 1gm1 s LEU 96 N 0.32 0.77 -0.03 -0.68 -0.00 -0.91 -1.41 118.68 116.74 1gm1 s LEU 96 Ca -0.08 -0.86 -0.02 0.00 -0.00 0.00 0.00 54.13 53.16 1gm1 s LEU 96 Cb -0.13 1.36 -0.04 0.00 -0.00 0.00 0.00 46.19 47.38 1gm1 s LEU 96 CO 0.03 -0.95 0.13 -1.61 -0.00 0.00 0.00 176.35 173.95 1gm1 s GLU 97 N -3.97 3.28 -0.03 1.48 2.02 -0.62 -1.94 118.70 118.92 1gm1 s GLU 97 Ca 0.18 -0.36 -0.30 0.00 0.02 0.00 0.00 54.97 54.51 1gm1 s GLU 97 Cb 0.02 -3.01 -0.04 0.00 0.10 0.00 0.00 34.13 31.20 1gm1 s GLU 97 CO 0.02 0.68 1.17 0.21 0.02 0.00 0.00 175.26 177.35 1gm1 s LYS 98 N -1.69 4.39 0.00 1.61 2.20 0.66 -3.53 119.74 123.39 1gm1 s LYS 98 Ca 0.23 1.65 0.00 0.00 -0.36 0.00 0.00 55.97 57.50 1gm1 s LYS 98 Cb -0.12 -3.50 0.00 0.00 -1.51 0.00 0.00 37.83 32.70 1gm1 s LYS 98 CO 0.14 -0.36 0.00 0.41 -0.36 0.00 0.00 175.35 175.19 1gm1 n GLY 99 N 3.27 -1.13 0.59 5.54 0.00 -1.26 -2.44 105.19 109.75 1gm1 n GLY 99 Ca 0.10 -1.64 -0.03 0.00 0.00 0.00 0.00 46.02 44.45 1gm1 n GLY 99 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1gm1 n GLN 100 N -0.72 0.65 -2.65 1.61 10.64 -1.26 -4.63 117.38 121.02 1gm1 n GLN 100 Ca 0.00 -0.43 -0.43 0.00 -1.83 0.00 0.00 57.00 54.31 1gm1 n GLN 100 Cb 0.00 -0.08 -0.02 0.00 -0.86 0.00 0.00 30.24 29.28 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.08 -1.83 0.00 0.00 177.06 175.31 1gm1 s VAL 101 N -0.02 4.58 -2.00 -0.39 1.01 -1.26 -5.11 120.40 117.21 1gm1 s VAL 101 Ca 0.10 1.84 0.31 0.00 0.00 0.00 0.00 61.98 64.23 1gm1 s VAL 101 Cb -0.01 -4.37 0.88 0.00 0.00 0.00 0.00 36.38 32.89 1gm1 s VAL 101 CO 0.06 -0.36 2.18 -0.81 0.00 0.00 0.00 175.10 176.18