#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 -1.22 -0.48 1.97 -0.04 -1.26 -4.70 135.00 129.28 1gm1 n PRO 10 Ca 0.00 -2.14 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1gm1 n PRO 10 Cb 0.00 -1.33 0.00 0.00 -0.04 0.00 0.00 33.50 32.13 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 -3.72 0.96 3.92 0.55 0.00 -1.11 -5.05 105.19 100.74 1gm1 n GLY 11 Ca 0.17 -0.38 -0.27 0.00 0.00 0.00 0.00 46.02 45.54 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 -2.37 6.36 0.18 1.61 2.15 -1.26 -4.78 116.67 118.56 1gm1 s ASP 12 Ca 0.00 0.68 0.06 0.00 0.43 0.00 0.00 52.55 53.73 1gm1 s ASP 12 Cb 0.00 -2.13 -0.04 0.00 -0.30 0.00 0.00 42.92 40.45 1gm1 s ASP 12 CO 0.00 -0.31 0.08 0.42 -0.17 0.00 0.00 175.17 175.19 1gm1 s THR 13 N -2.30 4.14 -0.04 1.71 -4.23 -1.26 -0.40 115.64 113.26 1gm1 s THR 13 Ca 0.44 -1.27 -0.07 0.00 -1.18 0.00 0.00 61.69 59.61 1gm1 s THR 13 Cb -0.10 -3.11 0.01 0.00 1.34 0.00 0.00 72.50 70.64 1gm1 s THR 13 CO 0.35 -0.13 0.16 -0.36 -0.54 0.00 0.00 174.62 174.10 1gm1 s PHE 14 N -1.79 -0.12 -0.03 3.99 0.08 -0.28 -4.99 117.98 114.84 1gm1 s PHE 14 Ca 0.30 0.27 -0.15 0.00 0.12 0.00 0.00 56.93 57.47 1gm1 s PHE 14 Cb -0.09 0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.33 1gm1 s PHE 14 CO 0.21 -0.16 0.40 -1.21 -0.10 0.00 0.00 175.22 174.37 1gm1 s GLU 15 N -0.40 3.99 -0.33 0.44 2.02 -1.26 -1.34 118.70 121.81 1gm1 s GLU 15 Ca -0.05 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.34 1gm1 s GLU 15 Cb -0.03 -3.26 0.10 0.00 0.10 0.00 0.00 34.13 31.03 1gm1 s GLU 15 CO 0.01 0.59 0.08 0.08 0.02 0.00 0.00 175.26 176.04 1gm1 s VAL 16 N -0.73 1.58 -0.84 2.63 1.01 -0.39 -4.99 120.40 118.67 1gm1 s VAL 16 Ca 0.23 -1.91 -0.14 0.00 0.00 0.00 0.00 61.98 60.16 1gm1 s VAL 16 Cb -0.16 -2.18 0.22 0.00 0.00 0.00 0.00 36.38 34.26 1gm1 s VAL 16 CO 0.12 -0.65 0.80 -1.61 0.00 0.00 0.00 175.10 173.76 1gm1 s GLU 17 N 1.21 3.62 -0.01 2.72 2.02 -1.26 -0.19 118.70 126.81 1gm1 s GLU 17 Ca 0.11 -2.44 0.07 0.00 0.02 0.00 0.00 54.97 52.72 1gm1 s GLU 17 Cb -0.18 -4.46 -0.02 0.00 0.10 0.00 0.00 34.13 29.56 1gm1 s GLU 17 CO -0.16 -1.32 -0.22 -1.17 0.02 0.00 0.00 175.26 172.41 1gm1 s LEU 18 N 0.27 2.30 -0.13 1.80 2.96 0.07 -4.88 118.68 121.07 1gm1 s LEU 18 Ca 0.19 -0.41 -0.05 0.00 -0.22 0.00 0.00 54.13 53.64 1gm1 s LEU 18 Cb -0.10 -1.41 -0.04 0.00 0.50 0.00 0.00 46.19 45.15 1gm1 s LEU 18 CO -0.09 0.31 0.07 0.00 -1.32 0.00 0.00 176.35 175.32 1gm1 s ALA 19 N -0.70 3.52 0.85 5.97 0.00 -1.26 0.41 121.76 130.55 1gm1 s ALA 19 Ca 0.11 -0.73 -0.11 0.00 0.00 0.00 0.00 51.96 51.23 1gm1 s ALA 19 Cb -0.10 -1.78 0.11 0.00 0.00 0.00 0.00 23.12 21.34 1gm1 s ALA 19 CO 0.00 0.47 1.10 0.15 0.00 0.00 0.00 175.76 177.49 1gm1 s LYS 20 N -0.54 1.56 -0.42 0.00 1.02 -0.69 -4.81 119.74 115.86 1gm1 s LYS 20 Ca 0.11 1.19 -0.03 0.00 0.02 0.00 0.00 55.97 57.26 1gm1 s LYS 20 Cb -0.12 -1.82 0.11 0.00 -0.52 0.00 0.00 37.83 35.49 1gm1 s LYS 20 CO 0.02 -2.13 0.22 0.95 -0.92 0.00 0.00 175.35 173.48 1gm1 s THR 21 N -2.82 3.30 -1.37 2.17 -4.23 -0.35 -4.84 115.64 107.49 1gm1 s THR 21 Ca 0.63 -2.12 -0.00 0.00 -1.18 0.00 0.00 61.69 59.02 1gm1 s THR 21 Cb -0.19 -3.26 0.00 0.00 1.34 0.00 0.00 72.50 70.39 1gm1 s THR 21 CO 0.57 -0.70 0.51 -0.67 -0.54 0.00 0.00 174.62 173.79 1gm1 n ASP 22 N 4.52 -0.59 0.00 3.99 2.03 -1.26 -1.55 116.55 123.68 1gm1 n ASP 22 Ca -0.02 -0.95 0.00 0.00 0.52 0.00 0.00 54.79 54.35 1gm1 n ASP 22 Cb 0.41 -3.38 0.00 0.00 -0.72 0.00 0.00 41.12 37.43 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 -1.85 3.09 3.65 0.27 0.00 -1.26 -5.04 105.19 104.06 1gm1 n GLY 23 Ca -0.31 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.48 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 -1.17 4.52 -0.21 1.61 1.04 -0.60 -5.04 113.70 113.85 1gm1 s SER 24 Ca 0.00 -0.70 -0.16 0.00 0.48 0.00 0.00 55.95 55.57 1gm1 s SER 24 Cb 0.00 -0.79 -0.10 0.00 0.10 0.00 0.00 66.02 65.23 1gm1 s SER 24 CO 0.00 -0.07 -0.25 0.18 0.98 0.00 0.00 173.24 174.09 1gm1 n LEU 25 N -0.94 1.92 0.00 2.42 4.77 -1.26 -1.21 117.00 122.70 1gm1 n LEU 25 Ca -0.06 0.39 0.00 0.00 -0.03 0.00 0.00 56.01 56.32 1gm1 n LEU 25 Cb 0.60 -0.82 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1gm1 n LEU 25 CO 0.41 0.08 0.00 0.61 -1.33 0.00 0.00 177.39 177.16 1gm1 n GLY 26 N 1.40 0.94 3.12 -0.72 0.00 -1.26 0.14 105.19 108.80 1gm1 n GLY 26 Ca -0.30 -0.03 -0.12 0.00 0.00 0.00 0.00 46.02 45.57 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 -0.09 0.02 -0.15 -0.61 2.07 -1.26 -1.21 121.20 119.97 1gm1 s ILE 27 Ca 0.00 -0.18 -0.02 0.00 -1.41 0.00 0.00 60.65 59.04 1gm1 s ILE 27 Cb 0.00 -0.36 -0.02 0.00 0.13 0.00 0.00 42.46 42.21 1gm1 s ILE 27 CO 0.00 -0.10 -0.08 -0.55 -1.91 0.00 0.00 174.94 172.31 1gm1 s SER 28 N -0.31 4.47 0.34 4.50 0.15 -0.04 -4.94 113.70 117.87 1gm1 s SER 28 Ca -0.04 -0.21 0.08 0.00 0.70 0.00 0.00 55.95 56.48 1gm1 s SER 28 Cb -0.03 -1.71 -0.04 0.00 -1.71 0.00 0.00 66.02 62.53 1gm1 s SER 28 CO 0.01 0.16 0.16 0.68 1.20 0.00 0.00 173.24 175.45 1gm1 s VAL 29 N 0.38 3.06 0.25 4.45 -7.23 -1.26 -0.32 120.40 119.72 1gm1 s VAL 29 Ca -0.07 -1.66 -0.12 0.00 -1.81 0.00 0.00 61.98 58.32 1gm1 s VAL 29 Cb -0.15 -3.00 -0.01 0.00 0.56 0.00 0.00 36.38 33.79 1gm1 s VAL 29 CO 0.04 -0.18 0.46 0.28 -0.31 0.00 0.00 175.10 175.39 1gm1 s THR 30 N -2.42 0.00 0.00 5.32 -1.32 0.29 -4.64 115.64 112.87 1gm1 s THR 30 Ca 0.38 -1.44 0.00 0.00 -1.21 0.00 0.00 61.69 59.42 1gm1 s THR 30 Cb -0.03 -2.23 0.00 0.00 -1.51 0.00 0.00 72.50 68.73 1gm1 s THR 30 CO 0.23 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.25 1gm1 n GLY 31 N -0.38 -0.91 0.00 6.08 0.00 -1.26 -0.49 105.19 108.24 1gm1 n GLY 31 Ca -0.01 -1.83 0.00 0.00 0.00 0.00 0.00 46.02 44.18 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 1.08 0.19 -0.02 0.00 -0.84 -3.90 105.19 101.70 1gm1 n GLY 32 Ca 0.00 -1.61 0.13 0.00 0.00 0.00 0.00 46.02 44.55 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gm1 h VAL 33 N 0.00 0.00 0.00 1.61 -1.51 -1.53 -2.28 116.25 112.54 1gm1 h VAL 33 Ca 0.00 -0.09 -0.07 0.00 -1.23 0.00 0.00 66.70 65.31 1gm1 h VAL 33 Cb 0.00 0.74 -0.01 0.00 -2.13 0.00 0.00 31.29 29.89 1gm1 h VAL 33 CO 0.00 0.00 -0.37 -0.55 -1.23 0.00 0.00 177.57 175.42 1gm1 h ASN 34 N 0.00 0.00 0.00 4.19 -1.07 -1.83 -3.44 115.58 113.43 1gm1 h ASN 34 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.37 1gm1 h ASN 34 Cb 0.12 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 36.37 1gm1 h ASN 34 CO 0.00 0.33 0.00 0.35 0.07 0.00 0.00 177.43 178.18 1gm1 n THR 35 N -3.16 0.00 0.07 6.14 -2.24 -0.86 -4.94 114.28 109.29 1gm1 n THR 35 Ca 0.02 0.00 -0.21 0.00 -2.27 0.00 0.00 64.05 61.59 1gm1 n THR 35 Cb 0.67 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.78 1gm1 n THR 35 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1gm1 h SER 36 N 0.00 0.86 -3.14 3.42 0.02 -1.91 -3.45 113.55 109.35 1gm1 h SER 36 Ca 0.00 -0.75 -0.56 0.00 -0.84 0.00 0.00 61.79 59.64 1gm1 h SER 36 Cb 0.00 -0.27 -0.04 0.00 0.14 0.00 0.00 62.40 62.24 1gm1 h SER 36 CO 0.00 1.56 0.68 0.54 -1.14 0.00 0.00 176.83 178.46 1gm1 s VAL 37 N -3.11 4.56 -0.00 2.27 0.11 -1.26 -4.98 120.40 117.99 1gm1 s VAL 37 Ca -0.09 1.85 -0.22 0.00 -2.93 0.00 0.00 61.98 60.59 1gm1 s VAL 37 Cb 0.06 -4.19 -0.12 0.00 -1.53 0.00 0.00 36.38 30.60 1gm1 s VAL 37 CO 0.92 -0.04 0.94 0.03 -3.33 0.00 0.00 175.10 173.63 1gm1 h ARG 38 N 7.37 -0.77 -4.84 1.54 2.47 -1.87 -3.30 114.38 114.98 1gm1 h ARG 38 Ca -0.30 0.05 -0.73 0.00 -1.26 0.00 0.00 59.98 57.74 1gm1 h ARG 38 Cb 1.13 0.17 -0.17 0.00 -1.65 0.00 0.00 29.97 29.46 1gm1 h ARG 38 CO 0.89 -0.51 1.40 -3.38 0.56 0.00 0.00 179.97 178.93 1gm1 s HIS 39 N -4.16 3.44 -0.34 3.04 -3.43 -1.26 -4.69 115.29 107.89 1gm1 s HIS 39 Ca -0.12 -2.08 -0.27 0.00 -0.80 0.00 0.00 55.06 51.80 1gm1 s HIS 39 Cb 0.01 -4.35 0.01 0.00 -1.43 0.00 0.00 32.58 26.83 1gm1 s HIS 39 CO 0.35 -1.43 0.96 0.20 -2.00 0.00 0.00 174.74 172.82 1gm1 s GLY 40 N 2.95 1.58 0.56 -1.38 0.00 -1.24 -4.98 107.32 104.80 1gm1 s GLY 40 Ca 0.43 -0.29 -0.05 0.00 0.00 0.00 0.00 44.72 44.81 1gm1 s GLY 40 CO 0.00 2.07 0.86 -0.32 0.00 0.00 0.00 173.10 175.72 1gm1 s GLY 41 N 1.76 1.59 -0.21 0.20 0.00 -1.26 -4.03 107.32 105.36 1gm1 s GLY 41 Ca 0.40 -0.70 -0.10 0.00 0.00 0.00 0.00 44.72 44.32 1gm1 s GLY 41 CO 0.17 -0.45 0.14 -0.42 0.00 0.00 0.00 173.10 172.54 1gm1 s ILE 42 N -2.91 5.39 0.19 0.90 -1.09 -1.26 -1.99 121.20 120.43 1gm1 s ILE 42 Ca 0.52 0.19 0.07 0.00 -2.23 0.00 0.00 60.65 59.21 1gm1 s ILE 42 Cb -0.10 -3.48 -0.05 0.00 -1.58 0.00 0.00 42.46 37.25 1gm1 s ILE 42 CO 0.44 0.41 -0.14 -0.31 -1.23 0.00 0.00 174.94 174.11 1gm1 s TYR 43 N 0.57 1.65 -0.06 3.97 1.51 0.36 -1.07 117.35 124.28 1gm1 s TYR 43 Ca 0.08 -0.58 -0.30 0.00 -1.01 0.00 0.00 57.07 55.26 1gm1 s TYR 43 Cb -0.12 -0.79 -0.03 0.00 -0.11 0.00 0.00 41.96 40.92 1gm1 s TYR 43 CO -0.00 0.31 1.16 0.08 -1.11 0.00 0.00 175.55 175.99 1gm1 s VAL 44 N -2.84 4.35 -0.22 0.71 1.01 -0.07 -0.55 120.40 122.79 1gm1 s VAL 44 Ca 0.20 1.66 -0.19 0.00 0.00 0.00 0.00 61.98 63.66 1gm1 s VAL 44 Cb -0.01 -4.07 -0.18 0.00 0.00 0.00 0.00 36.38 32.11 1gm1 s VAL 44 CO 0.06 0.01 0.11 1.17 0.00 0.00 0.00 175.10 176.45 1gm1 n LYS 45 N 5.09 0.59 -3.47 2.72 4.81 0.57 -1.55 118.16 126.92 1gm1 n LYS 45 Ca 0.10 0.49 -0.13 0.00 -0.87 0.00 0.00 58.31 57.90 1gm1 n LYS 45 Cb 0.47 -1.69 -0.03 0.00 0.02 0.00 0.00 35.03 33.79 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 -2.41 -1.55 -0.21 3.14 0.00 -0.93 -4.76 121.76 115.04 1gm1 s ALA 46 Ca -0.30 0.60 -0.04 0.00 0.00 0.00 0.00 51.96 52.22 1gm1 s ALA 46 Cb 0.08 0.67 -0.01 0.00 0.00 0.00 0.00 23.12 23.86 1gm1 s ALA 46 CO 0.59 -0.66 -0.04 -1.50 0.00 0.00 0.00 175.76 174.14 1gm1 s ILE 47 N -3.19 3.46 0.10 0.00 1.10 -1.26 -0.86 121.20 120.56 1gm1 s ILE 47 Ca -0.02 -0.47 -0.30 0.00 -0.51 0.00 0.00 60.65 59.36 1gm1 s ILE 47 Cb -0.01 -2.57 -0.06 0.00 0.15 0.00 0.00 42.46 39.98 1gm1 s ILE 47 CO -0.08 0.43 1.05 -0.63 -2.11 0.00 0.00 174.94 173.60 1gm1 s ILE 48 N 1.33 4.28 -0.15 2.00 -1.09 -0.35 -4.96 121.20 122.25 1gm1 s ILE 48 Ca 0.04 1.81 -0.35 0.00 -2.23 0.00 0.00 60.65 59.92 1gm1 s ILE 48 Cb -0.14 -4.16 -0.12 0.00 -1.58 0.00 0.00 42.46 36.46 1gm1 s ILE 48 CO -0.02 0.24 1.93 -2.65 -1.23 0.00 0.00 174.94 173.21 1gm1 n PRO 49 N 3.07 1.91 -3.48 2.79 -0.02 -1.26 -2.01 135.00 136.00 1gm1 n PRO 49 Ca 0.04 0.68 -0.21 0.00 -2.02 0.00 0.00 63.50 61.99 1gm1 n PRO 49 Cb 0.48 -2.60 0.07 0.00 -0.02 0.00 0.00 33.50 31.43 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 6.85 -7.18 -2.41 -0.52 4.01 -1.26 -5.05 118.16 112.60 1gm1 n LYS 50 Ca 0.26 0.75 -0.27 0.00 -0.51 0.00 0.00 58.31 58.55 1gm1 n LYS 50 Cb 0.28 -5.57 0.03 0.00 -0.51 0.00 0.00 35.03 29.25 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1gm1 s GLY 51 N -3.36 1.60 0.13 0.72 0.00 -0.85 -4.96 107.32 100.60 1gm1 s GLY 51 Ca 0.50 -0.67 -0.29 0.00 0.00 0.00 0.00 44.72 44.25 1gm1 s GLY 51 CO 0.66 -0.40 1.58 0.00 0.00 0.00 0.00 173.10 174.94 1gm1 h ALA 52 N -0.14 -0.61 -0.52 3.20 0.00 -1.08 -0.01 119.26 120.11 1gm1 h ALA 52 Ca -0.45 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 1gm1 h ALA 52 Cb 1.25 0.82 -0.02 0.00 0.00 0.00 0.00 17.79 19.84 1gm1 h ALA 52 CO 0.61 -0.94 0.19 0.00 0.00 0.00 0.00 179.25 179.11 1gm1 h ALA 53 N 0.11 0.68 -0.07 0.00 0.00 -0.58 -1.66 119.26 117.73 1gm1 h ALA 53 Ca 0.08 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.84 1gm1 h ALA 53 Cb 0.63 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.17 1gm1 h ALA 53 CO -0.42 0.31 -0.42 1.49 0.00 0.00 0.00 179.25 180.22 1gm1 h GLU 54 N 0.71 -0.45 0.00 0.00 4.22 -1.65 -3.26 114.58 114.15 1gm1 h GLU 54 Ca 0.17 0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.61 1gm1 h GLU 54 Cb 0.23 0.10 -0.00 0.00 0.50 0.00 0.00 28.75 29.58 1gm1 h GLU 54 CO -0.01 -0.30 -0.15 1.03 -2.18 0.00 0.00 179.01 177.40 1gm1 h SER 55 N -0.47 0.00 0.81 1.04 0.87 -0.81 -3.26 113.55 111.73 1gm1 h SER 55 Ca 0.02 0.00 -0.04 0.00 -1.23 0.00 0.00 61.79 60.54 1gm1 h SER 55 Cb 0.53 0.00 0.01 0.00 -0.44 0.00 0.00 62.40 62.50 1gm1 h SER 55 CO -0.32 0.15 -0.41 -0.78 -0.53 0.00 0.00 176.83 174.95 1gm1 h ASP 56 N 0.00 -0.99 0.00 6.23 3.58 -1.34 -3.48 116.42 120.41 1gm1 h ASP 56 Ca -0.00 0.04 0.00 0.00 0.42 0.00 0.00 57.03 57.49 1gm1 h ASP 56 Cb 0.59 0.26 0.00 0.00 1.72 0.00 0.00 39.33 41.91 1gm1 h ASP 56 CO 0.02 -0.68 0.00 0.61 -2.88 0.00 0.00 179.24 176.31 1gm1 n GLY 57 N -1.57 1.71 0.09 -0.78 0.00 -1.23 -4.99 105.19 98.42 1gm1 n GLY 57 Ca -0.15 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.76 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 0.02 -0.08 -6.23 1.61 2.47 -1.89 -3.45 114.38 106.82 1gm1 h ARG 58 Ca 0.00 0.01 -0.58 0.00 -1.26 0.00 0.00 59.98 58.15 1gm1 h ARG 58 Cb 0.00 0.02 -0.07 0.00 -1.65 0.00 0.00 29.97 28.27 1gm1 h ARG 58 CO 0.00 0.50 0.78 0.42 0.56 0.00 0.00 179.97 182.23 1gm1 s ILE 59 N -3.03 4.55 0.34 2.04 1.01 -1.26 -5.03 121.20 119.81 1gm1 s ILE 59 Ca -0.14 1.64 0.09 0.00 0.00 0.00 0.00 60.65 62.24 1gm1 s ILE 59 Cb -0.00 -4.38 -0.06 0.00 0.01 0.00 0.00 42.46 38.03 1gm1 s ILE 59 CO 0.54 -0.46 -0.04 -2.28 0.00 0.00 0.00 174.94 172.71 1gm1 s HIS 60 N 3.56 2.48 0.09 3.97 2.46 -1.26 -4.85 115.29 121.74 1gm1 s HIS 60 Ca 0.43 -0.47 -0.31 0.00 0.47 0.00 0.00 55.06 55.19 1gm1 s HIS 60 Cb -0.12 -1.44 -0.09 0.00 -0.13 0.00 0.00 32.58 30.79 1gm1 s HIS 60 CO 0.15 0.53 1.80 0.21 -2.47 0.00 0.00 174.74 174.95 1gm1 s LYS 61 N -3.67 4.15 0.00 2.88 2.20 -1.26 -2.16 119.74 121.89 1gm1 s LYS 61 Ca 0.34 2.52 0.00 0.00 -0.36 0.00 0.00 55.97 58.46 1gm1 s LYS 61 Cb 0.01 -3.68 0.00 0.00 -1.51 0.00 0.00 37.83 32.65 1gm1 s LYS 61 CO 0.18 -0.83 0.00 0.41 -0.36 0.00 0.00 175.35 174.75 1gm1 n GLY 62 N 4.21 0.75 3.82 5.54 0.00 -0.59 -4.92 105.19 114.00 1gm1 n GLY 62 Ca 0.17 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -2.32 5.36 -0.22 1.61 1.01 -0.92 -4.25 116.67 116.94 1gm1 s ASP 63 Ca 0.00 1.55 -0.09 0.00 0.71 0.00 0.00 52.55 54.72 1gm1 s ASP 63 Cb 0.00 -2.43 -0.05 0.00 1.01 0.00 0.00 42.92 41.46 1gm1 s ASP 63 CO 0.00 -1.45 0.12 -0.60 0.21 0.00 0.00 175.17 173.45 1gm1 s ARG 64 N -5.08 4.03 -0.42 8.23 3.52 -0.58 -0.89 118.95 127.76 1gm1 s ARG 64 Ca 0.58 -0.30 -0.24 0.00 -0.13 0.00 0.00 55.73 55.64 1gm1 s ARG 64 Cb -0.14 -3.42 0.02 0.00 -1.56 0.00 0.00 34.95 29.85 1gm1 s ARG 64 CO 0.55 0.14 0.84 0.08 -0.81 0.00 0.00 175.30 176.10 1gm1 s VAL 65 N 0.81 4.61 -0.19 7.11 1.01 -0.23 -1.39 120.40 132.13 1gm1 s VAL 65 Ca 0.06 0.73 -0.16 0.00 0.00 0.00 0.00 61.98 62.61 1gm1 s VAL 65 Cb -0.13 -4.33 -0.12 0.00 0.00 0.00 0.00 36.38 31.80 1gm1 s VAL 65 CO 0.02 -0.66 0.01 0.18 0.00 0.00 0.00 175.10 174.65 1gm1 n LEU 66 N 6.79 1.85 -3.77 3.92 4.77 -0.83 -4.51 117.00 125.22 1gm1 n LEU 66 Ca 0.04 0.49 -0.13 0.00 -0.03 0.00 0.00 56.01 56.38 1gm1 n LEU 66 Cb 0.48 -0.91 -0.09 0.00 -2.33 0.00 0.00 43.42 40.57 1gm1 n LEU 66 CO 0.59 0.01 0.00 0.00 -1.33 0.00 0.00 177.39 176.66 1gm1 s ALA 67 N -2.53 -0.76 -0.25 -1.18 0.00 -0.71 -1.53 121.76 114.80 1gm1 s ALA 67 Ca -0.25 0.47 0.02 0.00 0.00 0.00 0.00 51.96 52.21 1gm1 s ALA 67 Cb 0.05 -0.10 0.06 0.00 0.00 0.00 0.00 23.12 23.13 1gm1 s ALA 67 CO 0.44 -0.23 -0.10 0.08 0.00 0.00 0.00 175.76 175.96 1gm1 s VAL 68 N -0.88 1.99 -1.33 0.00 1.01 -0.08 -1.49 120.40 119.62 1gm1 s VAL 68 Ca -0.10 -1.50 -0.04 0.00 0.00 0.00 0.00 61.98 60.34 1gm1 s VAL 68 Cb -0.04 -2.13 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1gm1 s VAL 68 CO 0.03 -0.03 0.50 -3.20 0.00 0.00 0.00 175.10 172.40 1gm1 n ASN 69 N 4.50 -5.44 0.00 3.32 5.15 0.10 -0.96 115.26 121.93 1gm1 n ASN 69 Ca -0.14 -0.24 0.00 0.00 -0.60 0.00 0.00 54.58 53.61 1gm1 n ASN 69 Cb 0.43 -4.29 0.00 0.00 -0.53 0.00 0.00 39.78 35.39 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 -1.40 0.90 3.52 8.20 0.00 -1.26 -4.98 105.19 110.18 1gm1 n GLY 70 Ca -0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1gm1 n GLY 70 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1gm1 s VAL 71 N -2.49 5.14 -0.03 1.61 1.01 -0.14 -5.05 120.40 120.45 1gm1 s VAL 71 Ca 0.00 -0.10 -0.30 0.00 0.00 0.00 0.00 61.98 61.58 1gm1 s VAL 71 Cb 0.00 -3.91 -0.05 0.00 0.00 0.00 0.00 36.38 32.42 1gm1 s VAL 71 CO 0.00 -0.22 1.41 -0.44 0.00 0.00 0.00 175.10 175.85 1gm1 s SER 72 N 1.76 6.85 0.00 3.32 0.01 -1.26 -0.90 113.70 123.47 1gm1 s SER 72 Ca 0.12 2.07 0.28 0.00 1.31 0.00 0.00 55.95 59.73 1gm1 s SER 72 Cb -0.17 -2.55 1.44 0.00 0.21 0.00 0.00 66.02 64.95 1gm1 s SER 72 CO 0.12 -0.75 1.96 0.18 0.41 0.00 0.00 173.24 175.16 1gm1 n LEU 73 N 5.74 0.65 -4.55 2.44 4.77 -0.58 -4.85 117.00 120.61 1gm1 n LEU 73 Ca 0.14 -0.23 -0.47 0.00 -0.03 0.00 0.00 56.01 55.42 1gm1 n LEU 73 Cb 0.44 -0.01 -0.05 0.00 -2.33 0.00 0.00 43.42 41.47 1gm1 n LEU 73 CO 0.59 0.11 1.76 -0.62 -1.33 0.00 0.00 177.39 177.90 1gm1 n GLU 74 N -0.47 1.64 -0.89 3.23 4.71 -1.26 -0.96 120.64 126.65 1gm1 n GLU 74 Ca 0.21 0.49 0.00 0.00 -0.01 0.00 0.00 57.16 57.84 1gm1 n GLU 74 Cb 0.21 -2.80 0.00 0.00 -1.01 0.00 0.00 31.44 27.83 1gm1 n GLU 74 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1gm1 n GLY 75 N 5.84 0.53 3.79 0.62 0.00 -1.26 -5.06 105.19 109.65 1gm1 n GLY 75 Ca 0.33 -0.29 -0.31 0.00 0.00 0.00 0.00 46.02 45.75 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 2.42 0.69 4.61 0.00 -0.13 -4.80 121.76 122.55 1gm1 s ALA 76 Ca 0.00 0.12 -0.03 0.00 0.00 0.00 0.00 51.96 52.05 1gm1 s ALA 76 Cb 0.00 -3.21 0.09 0.00 0.00 0.00 0.00 23.12 20.00 1gm1 s ALA 76 CO 0.00 -1.54 0.96 0.95 0.00 0.00 0.00 175.76 176.14 1gm1 s THR 77 N -2.99 2.30 0.10 0.00 -4.23 -1.26 -1.94 115.64 107.62 1gm1 s THR 77 Ca 0.60 -0.49 -0.22 0.00 -1.18 0.00 0.00 61.69 60.40 1gm1 s THR 77 Cb -0.15 -2.81 -0.11 0.00 1.34 0.00 0.00 72.50 70.76 1gm1 s THR 77 CO 0.55 0.00 1.75 -0.74 -0.54 0.00 0.00 174.62 175.64 1gm1 h HIS 78 N -0.47 0.06 -0.53 3.99 2.76 -1.84 -2.62 115.15 116.51 1gm1 h HIS 78 Ca -0.40 0.00 0.07 0.00 -2.20 0.00 0.00 60.37 57.84 1gm1 h HIS 78 Cb 1.28 -0.02 -0.06 0.00 1.55 0.00 0.00 27.41 30.17 1gm1 h HIS 78 CO 0.00 0.04 0.21 0.87 -1.30 0.00 0.00 177.93 177.75 1gm1 h LYS 79 N 0.08 0.39 0.13 5.26 6.56 -1.95 -2.44 116.57 124.60 1gm1 h LYS 79 Ca 0.03 -0.02 0.02 0.00 -1.06 0.00 0.00 60.65 59.61 1gm1 h LYS 79 Cb 0.01 -0.09 -0.03 0.00 -0.57 0.00 0.00 32.23 31.55 1gm1 h LYS 79 CO -0.03 0.26 -0.24 1.96 -2.06 0.00 0.00 179.45 179.35 1gm1 h GLN 80 N 0.40 -0.43 -0.95 3.15 7.50 -1.91 0.57 115.11 123.44 1gm1 h GLN 80 Ca 0.25 0.03 0.02 0.00 0.50 0.00 0.00 58.65 59.45 1gm1 h GLN 80 Cb 0.26 0.10 -0.05 0.00 0.05 0.00 0.00 27.48 27.83 1gm1 h GLN 80 CO -0.24 -0.28 0.62 0.00 -1.50 0.00 0.00 178.83 177.43 1gm1 h ALA 81 N 0.31 1.22 -0.03 3.87 0.00 -1.39 0.15 119.26 123.40 1gm1 h ALA 81 Ca 0.03 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.88 1gm1 h ALA 81 Cb 0.46 -0.36 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1gm1 h ALA 81 CO -0.13 0.56 0.00 0.28 0.00 0.00 0.00 179.25 179.96 1gm1 h VAL 82 N 1.25 1.25 -0.08 0.00 2.07 -1.23 0.48 116.25 119.98 1gm1 h VAL 82 Ca 0.36 -0.74 -0.08 0.00 0.82 0.00 0.00 66.70 67.06 1gm1 h VAL 82 Cb -0.09 1.69 -0.01 0.00 -1.52 0.00 0.00 31.29 31.36 1gm1 h VAL 82 CO -0.09 0.20 -0.31 -0.33 0.02 0.00 0.00 177.57 177.05 1gm1 h GLU 83 N -0.24 0.16 -0.00 1.57 5.08 -0.64 0.63 114.58 121.12 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 0.32 -0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.56 1gm1 h GLU 83 CO 0.00 0.46 0.00 1.15 -1.00 0.00 0.00 179.01 179.62 1gm1 h THR 84 N 0.14 1.23 -0.89 1.13 2.02 -0.66 -1.49 112.91 114.39 1gm1 h THR 84 Ca 0.02 -0.69 0.01 0.00 0.77 0.00 0.00 66.41 66.52 1gm1 h THR 84 Cb 0.62 1.69 -0.05 0.00 -1.74 0.00 0.00 68.15 68.68 1gm1 h THR 84 CO 0.05 0.18 0.59 -0.07 0.37 0.00 0.00 175.52 176.64 1gm1 h LEU 85 N -0.28 1.02 -0.89 2.58 3.38 -0.55 -2.48 115.31 118.10 1gm1 h LEU 85 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 1gm1 h LEU 85 Cb 0.29 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.75 1gm1 h LEU 85 CO 0.00 0.74 0.57 0.03 0.09 0.00 0.00 178.44 179.87 1gm1 h ARG 86 N 1.21 1.18 -0.97 1.13 3.08 -0.88 -2.92 114.38 116.21 1gm1 h ARG 86 Ca 0.33 -0.08 -0.05 0.00 0.07 0.00 0.00 59.98 60.25 1gm1 h ARG 86 Cb -0.13 -0.26 -0.03 0.00 0.08 0.00 0.00 29.97 29.63 1gm1 h ARG 86 CO -0.07 0.80 0.06 -1.71 -1.07 0.00 0.00 179.97 177.97 1gm1 n ASN 87 N -4.44 2.54 -4.86 7.04 2.85 -0.57 -4.81 115.26 113.01 1gm1 n ASN 87 Ca 0.10 -2.21 -0.32 0.00 -0.11 0.00 0.00 54.58 52.03 1gm1 n ASN 87 Cb 0.03 -0.54 -0.05 0.00 1.24 0.00 0.00 39.78 40.45 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 -2.11 0.00 0.00 177.26 175.57 1gm1 s THR 88 N -0.86 4.77 0.00 -0.44 -4.23 -1.11 -5.01 115.64 108.76 1gm1 s THR 88 Ca 0.09 0.76 0.00 0.00 -1.18 0.00 0.00 61.69 61.36 1gm1 s THR 88 Cb 0.07 -3.63 0.00 0.00 1.34 0.00 0.00 72.50 70.28 1gm1 s THR 88 CO 0.02 -0.22 0.00 0.61 -0.54 0.00 0.00 174.62 174.49 1gm1 n GLY 89 N -0.48 0.99 0.08 3.99 0.00 -1.26 -5.01 105.19 103.50 1gm1 n GLY 89 Ca 0.02 -1.66 -0.13 0.00 0.00 0.00 0.00 46.02 44.26 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 -0.06 -5.55 1.61 5.75 -1.99 -3.41 115.11 111.45 1gm1 h GLN 90 Ca 0.00 0.00 -0.62 0.00 -0.15 0.00 0.00 58.65 57.89 1gm1 h GLN 90 Cb 0.00 0.01 -0.09 0.00 1.07 0.00 0.00 27.48 28.47 1gm1 h GLN 90 CO 0.00 0.39 -0.39 0.54 -2.65 0.00 0.00 178.83 176.72 1gm1 s VAL 91 N -4.25 5.35 -0.14 2.39 0.11 -1.26 -1.71 120.40 120.90 1gm1 s VAL 91 Ca -0.15 0.41 0.02 0.00 -2.93 0.00 0.00 61.98 59.32 1gm1 s VAL 91 Cb 0.02 -3.54 0.02 0.00 -1.53 0.00 0.00 36.38 31.34 1gm1 s VAL 91 CO 0.64 0.49 -0.18 -0.69 -3.33 0.00 0.00 175.10 172.04 1gm1 s VAL 92 N -0.20 1.75 -0.49 2.04 1.01 0.16 -4.95 120.40 119.72 1gm1 s VAL 92 Ca 0.15 -0.78 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1gm1 s VAL 92 Cb -0.13 -1.59 0.10 0.00 0.00 0.00 0.00 36.38 34.76 1gm1 s VAL 92 CO 0.04 0.49 0.43 -1.00 0.00 0.00 0.00 175.10 175.05 1gm1 s HIS 93 N 1.09 3.26 0.22 5.22 3.76 -1.26 -0.75 115.29 126.82 1gm1 s HIS 93 Ca -0.03 -1.13 0.04 0.00 -0.15 0.00 0.00 55.06 53.80 1gm1 s HIS 93 Cb -0.14 -3.41 -0.03 0.00 1.11 0.00 0.00 32.58 30.11 1gm1 s HIS 93 CO -0.05 -0.89 0.33 -0.51 -0.85 0.00 0.00 174.74 172.76 1gm1 s LEU 94 N 1.60 4.29 -0.07 0.89 1.43 0.73 0.02 118.68 127.58 1gm1 s LEU 94 Ca 0.04 0.07 0.03 0.00 -1.03 0.00 0.00 54.13 53.24 1gm1 s LEU 94 Cb -0.26 -2.83 0.01 0.00 0.03 0.00 0.00 46.19 43.13 1gm1 s LEU 94 CO 0.05 -0.03 -0.14 -0.22 0.23 0.00 0.00 176.35 176.23 1gm1 s LEU 95 N -3.77 1.73 0.17 1.79 2.96 -0.56 -1.26 118.68 119.75 1gm1 s LEU 95 Ca 0.34 -0.33 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 1gm1 s LEU 95 Cb -0.09 -0.90 -0.03 0.00 0.50 0.00 0.00 46.19 45.66 1gm1 s LEU 95 CO 0.29 0.06 0.14 -1.48 -1.32 0.00 0.00 176.35 174.04 1gm1 s LEU 96 N 0.55 1.35 0.09 -0.68 -0.00 -0.45 -1.74 118.68 117.80 1gm1 s LEU 96 Ca -0.14 -1.21 0.09 0.00 -0.00 0.00 0.00 54.13 52.88 1gm1 s LEU 96 Cb -0.15 0.55 -0.03 0.00 -0.00 0.00 0.00 46.19 46.55 1gm1 s LEU 96 CO 0.04 -0.82 -0.24 -0.70 -0.00 0.00 0.00 176.35 174.63 1gm1 s GLU 97 N -4.07 1.41 -0.00 1.48 2.12 -0.49 -1.13 118.70 118.02 1gm1 s GLU 97 Ca 0.28 -1.17 -0.30 0.00 0.36 0.00 0.00 54.97 54.14 1gm1 s GLU 97 Cb 0.06 -1.70 -0.04 0.00 0.26 0.00 0.00 34.13 32.70 1gm1 s GLU 97 CO 0.06 0.42 1.19 0.21 -0.54 0.00 0.00 175.26 176.60 1gm1 s LYS 98 N -1.66 4.39 0.64 4.30 2.47 0.47 -1.53 119.74 128.82 1gm1 s LYS 98 Ca 0.10 1.71 -0.14 0.00 -1.56 0.00 0.00 55.97 56.08 1gm1 s LYS 98 Cb -0.10 -3.47 -0.02 0.00 -1.46 0.00 0.00 37.83 32.79 1gm1 s LYS 98 CO 0.04 -0.35 1.07 0.20 0.16 0.00 0.00 175.35 176.46 1gm1 s GLY 99 N 1.30 1.98 0.00 5.54 0.00 -1.26 -2.73 107.32 112.15 1gm1 s GLY 99 Ca 0.57 0.32 0.00 0.00 0.00 0.00 0.00 44.72 45.61 1gm1 s GLY 99 CO 0.25 0.64 0.01 -1.06 0.00 0.00 0.00 173.10 172.94 1gm1 n GLN 100 N -2.45 0.00 -4.00 2.90 1.13 -1.26 -4.68 117.38 109.02 1gm1 n GLN 100 Ca 0.09 0.00 -0.23 0.00 -1.94 0.00 0.00 57.00 54.92 1gm1 n GLN 100 Cb 0.53 -0.38 -0.03 0.00 0.11 0.00 0.00 30.24 30.47 1gm1 n GLN 100 CO 0.00 0.00 0.00 0.14 -1.44 0.00 0.00 177.06 175.76 1gm1 s VAL 101 N -0.02 5.05 -2.04 5.09 -7.23 -1.26 -5.00 120.40 114.99 1gm1 s VAL 101 Ca 0.00 -0.99 0.32 0.00 -1.81 0.00 0.00 61.98 59.50 1gm1 s VAL 101 Cb 0.00 -3.69 0.88 0.00 0.56 0.00 0.00 36.38 34.13 1gm1 s VAL 101 CO 0.00 -0.25 2.19 -0.81 -0.31 0.00 0.00 175.10 175.92