#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 0.82 0.00 1.97 -0.04 -1.26 -5.02 135.00 131.46 1gm1 n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gm1 n PRO 10 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 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 4.60 0.71 0.46 0.55 0.00 -1.26 -5.09 105.19 105.16 1gm1 n GLY 11 Ca 0.00 -0.51 -0.16 0.00 0.00 0.00 0.00 46.02 45.35 1gm1 n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gm1 h ASP 12 N 0.00 -1.36 -3.01 1.61 3.58 -1.94 -3.34 116.42 111.95 1gm1 h ASP 12 Ca 0.00 0.14 -0.64 0.00 0.42 0.00 0.00 57.03 56.95 1gm1 h ASP 12 Cb 0.00 0.49 -0.11 0.00 1.72 0.00 0.00 39.33 41.43 1gm1 h ASP 12 CO 0.00 -0.56 -0.51 0.42 -2.88 0.00 0.00 179.24 175.71 1gm1 s THR 13 N -5.87 5.24 -0.03 2.25 -4.23 -1.26 -0.86 115.64 110.87 1gm1 s THR 13 Ca -0.17 0.12 -0.10 0.00 -1.18 0.00 0.00 61.69 60.36 1gm1 s THR 13 Cb 0.06 -3.32 0.02 0.00 1.34 0.00 0.00 72.50 70.59 1gm1 s THR 13 CO 0.62 0.54 0.22 0.72 -0.54 0.00 0.00 174.62 176.18 1gm1 s PHE 14 N -0.34 -0.13 0.14 3.99 -0.12 -0.85 -4.99 117.98 115.69 1gm1 s PHE 14 Ca 0.11 0.25 -0.12 0.00 -0.05 0.00 0.00 56.93 57.11 1gm1 s PHE 14 Cb -0.12 0.04 -0.07 0.00 -0.63 0.00 0.00 43.02 42.25 1gm1 s PHE 14 CO 0.01 -0.26 0.51 -1.21 -0.05 0.00 0.00 175.22 174.22 1gm1 s GLU 15 N -0.85 3.89 -0.65 1.99 2.02 -1.26 -2.14 118.70 121.71 1gm1 s GLU 15 Ca -0.09 0.37 -0.09 0.00 0.02 0.00 0.00 54.97 55.18 1gm1 s GLU 15 Cb -0.05 -2.90 0.17 0.00 0.10 0.00 0.00 34.13 31.45 1gm1 s GLU 15 CO 0.02 0.47 0.53 0.08 0.02 0.00 0.00 175.26 176.38 1gm1 s VAL 16 N -1.51 4.58 -0.91 2.63 1.01 0.20 -4.94 120.40 121.45 1gm1 s VAL 16 Ca 0.38 -2.40 -0.17 0.00 0.00 0.00 0.00 61.98 59.79 1gm1 s VAL 16 Cb -0.14 -3.93 0.15 0.00 0.00 0.00 0.00 36.38 32.47 1gm1 s VAL 16 CO 0.19 -0.90 1.04 -1.61 0.00 0.00 0.00 175.10 173.82 1gm1 s GLU 17 N 0.49 3.61 0.08 2.72 2.02 -1.26 -1.50 118.70 124.86 1gm1 s GLU 17 Ca 0.13 -1.96 0.08 0.00 0.02 0.00 0.00 54.97 53.24 1gm1 s GLU 17 Cb -0.19 -4.80 -0.03 0.00 0.10 0.00 0.00 34.13 29.21 1gm1 s GLU 17 CO -0.04 -1.65 -0.21 -1.17 0.02 0.00 0.00 175.26 172.21 1gm1 s LEU 18 N 2.01 2.26 -0.19 1.80 2.96 -0.62 -4.96 118.68 121.94 1gm1 s LEU 18 Ca 0.29 -0.63 -0.08 0.00 -0.22 0.00 0.00 54.13 53.48 1gm1 s LEU 18 Cb -0.06 -0.91 -0.04 0.00 0.50 0.00 0.00 46.19 45.67 1gm1 s LEU 18 CO -0.09 0.09 0.09 0.00 -1.32 0.00 0.00 176.35 175.12 1gm1 s ALA 19 N -1.05 3.56 0.64 5.97 0.00 -1.26 0.37 121.76 129.98 1gm1 s ALA 19 Ca 0.07 -0.71 -0.15 0.00 0.00 0.00 0.00 51.96 51.16 1gm1 s ALA 19 Cb -0.10 -2.03 -0.01 0.00 0.00 0.00 0.00 23.12 20.99 1gm1 s ALA 19 CO 0.03 0.20 1.09 -1.59 0.00 0.00 0.00 175.76 175.50 1gm1 s LYS 20 N 0.27 2.97 -0.08 0.00 -2.85 -0.57 -4.88 119.74 114.60 1gm1 s LYS 20 Ca 0.06 1.33 0.04 0.00 -1.00 0.00 0.00 55.97 56.41 1gm1 s LYS 20 Cb -0.12 -1.98 -0.00 0.00 -2.06 0.00 0.00 37.83 33.67 1gm1 s LYS 20 CO -0.01 -1.11 -0.23 0.95 0.10 0.00 0.00 175.35 175.06 1gm1 s THR 21 N -2.37 1.94 -1.44 3.79 -4.23 -0.69 -4.79 115.64 107.85 1gm1 s THR 21 Ca 0.66 -0.97 -0.09 0.00 -1.18 0.00 0.00 61.69 60.11 1gm1 s THR 21 Cb -0.19 -1.68 0.03 0.00 1.34 0.00 0.00 72.50 72.00 1gm1 s THR 21 CO 0.40 0.54 0.99 -0.67 -0.54 0.00 0.00 174.62 175.34 1gm1 n ASP 22 N 3.39 -5.84 0.00 3.99 2.03 -1.26 -1.40 116.55 117.46 1gm1 n ASP 22 Ca -0.19 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.58 1gm1 n ASP 22 Cb 0.53 -4.64 0.00 0.00 -0.72 0.00 0.00 41.12 36.28 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 -1.80 2.97 3.58 0.27 0.00 -1.26 -4.97 105.19 103.97 1gm1 n GLY 23 Ca -0.01 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.13 4.21 -0.14 1.61 1.04 -0.49 -4.99 113.70 112.81 1gm1 s SER 24 Ca 0.00 -0.71 -0.15 0.00 0.48 0.00 0.00 55.95 55.57 1gm1 s SER 24 Cb 0.00 -0.67 -0.05 0.00 0.10 0.00 0.00 66.02 65.40 1gm1 s SER 24 CO 0.00 0.05 -0.29 0.18 0.98 0.00 0.00 173.24 174.15 1gm1 n LEU 25 N -0.49 1.74 0.00 2.42 7.99 -1.26 -1.71 117.00 125.69 1gm1 n LEU 25 Ca -0.08 0.29 0.00 0.00 -0.01 0.00 0.00 56.01 56.21 1gm1 n LEU 25 Cb 0.58 -0.68 0.00 0.00 -0.11 0.00 0.00 43.42 43.21 1gm1 n LEU 25 CO 0.38 -0.33 0.00 0.61 -1.51 0.00 0.00 177.39 176.54 1gm1 n GLY 26 N 1.67 0.15 3.16 -0.72 0.00 -1.26 -0.18 105.19 108.02 1gm1 n GLY 26 Ca -0.12 -0.32 -0.12 0.00 0.00 0.00 0.00 46.02 45.46 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 0.00 0.04 -0.14 -0.61 2.07 -1.26 -1.34 121.20 119.96 1gm1 s ILE 27 Ca 0.00 -0.31 -0.03 0.00 -1.41 0.00 0.00 60.65 58.90 1gm1 s ILE 27 Cb 0.00 -0.45 -0.03 0.00 0.13 0.00 0.00 42.46 42.11 1gm1 s ILE 27 CO 0.00 -0.17 -0.04 -0.55 -1.91 0.00 0.00 174.94 172.28 1gm1 s SER 28 N -0.66 4.83 0.20 4.50 0.15 -0.18 -4.90 113.70 117.66 1gm1 s SER 28 Ca -0.08 -0.08 0.09 0.00 0.70 0.00 0.00 55.95 56.58 1gm1 s SER 28 Cb -0.04 -1.67 -0.04 0.00 -1.71 0.00 0.00 66.02 62.56 1gm1 s SER 28 CO 0.02 0.22 -0.04 0.68 1.20 0.00 0.00 173.24 175.31 1gm1 s VAL 29 N 0.07 3.43 0.29 4.45 -7.23 -1.26 -0.87 120.40 119.27 1gm1 s VAL 29 Ca -0.00 -1.65 0.04 0.00 -1.81 0.00 0.00 61.98 58.56 1gm1 s VAL 29 Cb -0.13 -2.74 -0.06 0.00 0.56 0.00 0.00 36.38 34.01 1gm1 s VAL 29 CO 0.03 -0.18 0.03 0.28 -0.31 0.00 0.00 175.10 174.95 1gm1 s THR 30 N -1.87 1.17 0.00 5.32 -1.32 0.11 -4.71 115.64 114.34 1gm1 s THR 30 Ca 0.27 -2.03 0.00 0.00 -1.21 0.00 0.00 61.69 58.73 1gm1 s THR 30 Cb -0.08 -2.61 0.00 0.00 -1.51 0.00 0.00 72.50 68.30 1gm1 s THR 30 CO 0.17 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.06 1gm1 n GLY 31 N -0.58 0.13 0.00 6.08 0.00 -1.26 -1.40 105.19 108.15 1gm1 n GLY 31 Ca -0.03 -2.03 0.00 0.00 0.00 0.00 0.00 46.02 43.96 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 1.21 0.03 -0.02 0.00 -0.90 -4.45 105.19 101.07 1gm1 n GLY 32 Ca 0.00 -1.49 0.09 0.00 0.00 0.00 0.00 46.02 44.62 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1gm1 n VAL 33 N 1.51 0.86 0.05 1.61 0.31 -1.26 -2.99 118.33 118.42 1gm1 n VAL 33 Ca 0.00 0.21 -0.05 0.00 -0.01 0.00 0.00 64.34 64.49 1gm1 n VAL 33 Cb 0.00 -0.98 0.16 0.00 -0.91 0.00 0.00 33.84 32.10 1gm1 n VAL 33 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1gm1 h ASN 34 N 0.00 0.40 -1.57 4.52 -1.07 -1.90 -3.46 115.58 112.50 1gm1 h ASN 34 Ca 0.00 -0.18 -0.50 0.00 0.07 0.00 0.00 56.30 55.69 1gm1 h ASN 34 Cb 0.32 -0.11 -0.04 0.00 -2.07 0.00 0.00 38.32 36.41 1gm1 h ASN 34 CO 0.00 0.79 -0.40 0.28 0.07 0.00 0.00 177.43 178.17 1gm1 s THR 35 N -4.12 2.73 -1.51 6.14 -1.32 -1.16 -5.02 115.64 111.38 1gm1 s THR 35 Ca -0.06 -1.39 -0.10 0.00 -1.21 0.00 0.00 61.69 58.94 1gm1 s THR 35 Cb 0.13 -3.02 -0.00 0.00 -1.51 0.00 0.00 72.50 68.09 1gm1 s THR 35 CO 0.80 -0.02 2.63 -1.20 -2.21 0.00 0.00 174.62 174.62 1gm1 n SER 36 N -1.49 7.48 -0.04 8.08 7.64 -1.26 -4.49 113.62 129.54 1gm1 n SER 36 Ca 0.02 -2.78 -0.15 0.00 1.01 0.00 0.00 58.87 56.97 1gm1 n SER 36 Cb 0.62 -1.53 -0.08 0.00 -1.01 0.00 0.00 64.21 62.21 1gm1 n SER 36 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 1gm1 h VAL 37 N 3.15 1.35 -3.48 0.44 2.07 -1.94 -3.48 116.25 114.36 1gm1 h VAL 37 Ca 0.75 -1.72 -0.24 0.00 0.82 0.00 0.00 66.70 66.31 1gm1 h VAL 37 Cb 0.37 2.05 0.06 0.00 -1.52 0.00 0.00 31.29 32.26 1gm1 h VAL 37 CO 1.73 0.52 -0.39 0.54 0.02 0.00 0.00 177.57 179.99 1gm1 n ARG 38 N -4.26 -4.03 0.05 1.57 1.74 -1.26 -4.86 116.66 105.62 1gm1 n ARG 38 Ca -0.07 0.52 0.00 0.00 -0.77 0.00 0.00 57.85 57.53 1gm1 n ARG 38 Cb 0.56 -4.60 0.00 0.00 -1.02 0.00 0.00 32.46 27.40 1gm1 n ARG 38 CO 0.00 0.00 0.00 1.58 -1.52 0.00 0.00 177.63 177.69 1gm1 n HIS 39 N -4.02 -1.92 -1.38 -1.55 -0.00 -1.26 -5.12 115.22 99.98 1gm1 n HIS 39 Ca -0.03 0.27 0.00 0.00 0.46 0.00 0.00 57.72 58.42 1gm1 n HIS 39 Cb 0.55 0.98 0.00 0.00 -0.12 0.00 0.00 29.99 31.40 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 -0.09 0.23 3.75 1.57 0.00 -1.26 -5.08 105.19 104.30 1gm1 n GLY 40 Ca 0.00 -0.27 -0.08 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.36 0.22 -0.32 -0.02 0.00 -1.26 -4.84 107.32 98.74 1gm1 s GLY 41 Ca 0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 44.72 44.03 1gm1 s GLY 41 CO 0.00 -0.33 0.17 -0.42 0.00 0.00 0.00 173.10 172.53 1gm1 s ILE 42 N -3.78 4.69 0.20 0.90 -1.09 -1.26 -2.11 121.20 118.75 1gm1 s ILE 42 Ca 0.16 -0.46 0.09 0.00 -2.23 0.00 0.00 60.65 58.22 1gm1 s ILE 42 Cb -0.04 -3.42 -0.04 0.00 -1.58 0.00 0.00 42.46 37.37 1gm1 s ILE 42 CO 0.09 0.01 -0.19 -0.31 -1.23 0.00 0.00 174.94 173.31 1gm1 s TYR 43 N 1.62 1.96 -0.11 3.97 1.51 -0.50 -1.83 117.35 123.98 1gm1 s TYR 43 Ca 0.04 -0.45 -0.30 0.00 -1.01 0.00 0.00 57.07 55.36 1gm1 s TYR 43 Cb -0.17 -0.93 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 1gm1 s TYR 43 CO 0.07 0.44 1.25 0.08 -1.11 0.00 0.00 175.55 176.28 1gm1 s VAL 44 N -2.28 4.24 -0.22 0.71 1.01 -0.53 -0.72 120.40 122.61 1gm1 s VAL 44 Ca 0.21 1.53 -0.18 0.00 0.00 0.00 0.00 61.98 63.54 1gm1 s VAL 44 Cb -0.05 -3.99 -0.14 0.00 0.00 0.00 0.00 36.38 32.20 1gm1 s VAL 44 CO 0.09 -0.07 -0.02 1.17 0.00 0.00 0.00 175.10 176.27 1gm1 n LYS 45 N 5.95 0.56 -3.63 2.72 4.81 -0.05 -1.09 118.16 127.43 1gm1 n LYS 45 Ca 0.13 0.47 -0.11 0.00 -0.87 0.00 0.00 58.31 57.92 1gm1 n LYS 45 Cb 0.45 -1.65 -0.05 0.00 0.02 0.00 0.00 35.03 33.80 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 -2.48 -0.98 -0.17 3.14 0.00 -0.93 -4.77 121.76 115.57 1gm1 s ALA 46 Ca -0.30 0.05 -0.02 0.00 0.00 0.00 0.00 51.96 51.70 1gm1 s ALA 46 Cb 0.08 0.63 -0.01 0.00 0.00 0.00 0.00 23.12 23.82 1gm1 s ALA 46 CO 0.51 -0.61 -0.10 -1.50 0.00 0.00 0.00 175.76 174.06 1gm1 s ILE 47 N -3.52 3.12 -0.09 0.00 1.10 -1.26 -1.01 121.20 119.54 1gm1 s ILE 47 Ca 0.01 -0.61 -0.30 0.00 -0.51 0.00 0.00 60.65 59.25 1gm1 s ILE 47 Cb 0.01 -2.36 -0.02 0.00 0.15 0.00 0.00 42.46 40.24 1gm1 s ILE 47 CO -0.10 0.49 1.16 -0.63 -2.11 0.00 0.00 174.94 173.75 1gm1 s ILE 48 N 0.86 4.39 0.10 2.00 -1.09 -0.45 -4.97 121.20 122.05 1gm1 s ILE 48 Ca -0.03 1.69 -0.32 0.00 -2.23 0.00 0.00 60.65 59.77 1gm1 s ILE 48 Cb -0.15 -4.09 -0.11 0.00 -1.58 0.00 0.00 42.46 36.53 1gm1 s ILE 48 CO 0.00 -0.03 1.84 -2.65 -1.23 0.00 0.00 174.94 172.87 1gm1 n PRO 49 N 5.44 2.69 -2.15 2.79 -0.02 -1.26 -1.96 135.00 140.52 1gm1 n PRO 49 Ca 0.11 0.98 -0.05 0.00 -2.02 0.00 0.00 63.50 62.52 1gm1 n PRO 49 Cb 0.46 -2.87 -0.00 0.00 -0.02 0.00 0.00 33.50 31.08 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 5.73 -0.55 -2.51 -0.52 5.02 -1.26 -5.07 118.16 118.99 1gm1 n LYS 50 Ca 0.19 0.26 -0.28 0.00 -2.02 0.00 0.00 58.31 56.46 1gm1 n LYS 50 Cb 0.36 -4.01 0.01 0.00 -0.02 0.00 0.00 35.03 31.37 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 -2.78 1.53 0.17 0.72 0.00 -0.83 -5.02 107.32 101.12 1gm1 s GLY 51 Ca 0.01 -0.49 -0.22 0.00 0.00 0.00 0.00 44.72 44.02 1gm1 s GLY 51 CO 0.01 -0.30 1.60 0.00 0.00 0.00 0.00 173.10 174.42 1gm1 h ALA 52 N 0.10 -0.12 -0.29 3.20 0.00 -0.83 -2.99 119.26 118.33 1gm1 h ALA 52 Ca -0.46 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.55 1gm1 h ALA 52 Cb 1.21 0.69 -0.01 0.00 0.00 0.00 0.00 17.79 19.68 1gm1 h ALA 52 CO 0.62 -0.70 0.12 0.00 0.00 0.00 0.00 179.25 179.29 1gm1 h ALA 53 N 0.85 0.38 -0.45 0.00 0.00 -0.96 -2.95 119.26 116.12 1gm1 h ALA 53 Ca 0.19 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.03 1gm1 h ALA 53 Cb 0.53 -0.11 -0.06 0.00 0.00 0.00 0.00 17.79 18.15 1gm1 h ALA 53 CO -0.56 -0.04 -0.32 1.49 0.00 0.00 0.00 179.25 179.83 1gm1 h GLU 54 N 0.32 -0.06 0.00 0.00 4.22 -1.66 -2.57 114.58 114.83 1gm1 h GLU 54 Ca 0.10 0.00 0.00 0.00 0.08 0.00 0.00 59.36 59.54 1gm1 h GLU 54 Cb 0.16 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.42 1gm1 h GLU 54 CO -0.01 -0.04 0.00 0.77 -2.18 0.00 0.00 179.01 177.55 1gm1 h SER 55 N -0.06 0.00 0.63 1.04 0.02 -1.58 -3.34 113.55 110.25 1gm1 h SER 55 Ca 0.07 0.00 -0.03 0.00 -0.84 0.00 0.00 61.79 61.00 1gm1 h SER 55 Cb 0.25 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.79 1gm1 h SER 55 CO -0.46 0.00 -0.34 -0.78 -1.14 0.00 0.00 176.83 174.11 1gm1 h ASP 56 N 0.00 -0.83 0.00 3.07 3.58 -1.27 -3.48 116.42 117.49 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 0.39 0.23 0.00 0.00 1.72 0.00 0.00 39.33 41.68 1gm1 h ASP 56 CO 0.00 -0.56 0.00 0.61 -2.88 0.00 0.00 179.24 176.41 1gm1 n GLY 57 N -1.49 2.49 0.15 -0.78 0.00 -1.26 -4.91 105.19 99.40 1gm1 n GLY 57 Ca -0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.89 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 0.81 0.00 -5.49 1.61 3.08 -1.92 -3.41 114.38 109.06 1gm1 h ARG 58 Ca 0.00 0.00 -0.61 0.00 0.07 0.00 0.00 59.98 59.44 1gm1 h ARG 58 Cb 0.00 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 29.94 1gm1 h ARG 58 CO 0.00 0.57 0.10 0.42 -1.07 0.00 0.00 179.97 179.99 1gm1 s ILE 59 N -3.61 5.02 0.35 2.04 1.01 -1.26 -4.99 121.20 119.75 1gm1 s ILE 59 Ca -0.01 1.07 0.06 0.00 0.00 0.00 0.00 60.65 61.77 1gm1 s ILE 59 Cb 0.12 -3.90 -0.07 0.00 0.01 0.00 0.00 42.46 38.62 1gm1 s ILE 59 CO 0.75 0.06 0.01 -2.28 0.00 0.00 0.00 174.94 173.48 1gm1 s HIS 60 N 2.33 2.18 -0.10 3.97 2.46 -1.26 -4.92 115.29 119.95 1gm1 s HIS 60 Ca 0.25 -0.78 -0.29 0.00 0.47 0.00 0.00 55.06 54.71 1gm1 s HIS 60 Cb -0.16 -1.43 -0.05 0.00 -0.13 0.00 0.00 32.58 30.81 1gm1 s HIS 60 CO 0.09 0.25 1.76 0.21 -2.47 0.00 0.00 174.74 174.58 1gm1 s LYS 61 N -3.78 3.96 0.00 2.88 2.20 -1.26 -2.30 119.74 121.43 1gm1 s LYS 61 Ca 0.34 2.11 0.00 0.00 -0.36 0.00 0.00 55.97 58.06 1gm1 s LYS 61 Cb 0.08 -4.07 0.00 0.00 -1.51 0.00 0.00 37.83 32.32 1gm1 s LYS 61 CO 0.16 -1.12 0.00 0.41 -0.36 0.00 0.00 175.35 174.43 1gm1 n GLY 62 N 4.53 0.85 3.87 5.54 0.00 -0.25 -4.97 105.19 114.76 1gm1 n GLY 62 Ca 0.19 -0.04 -0.31 0.00 0.00 0.00 0.00 46.02 45.87 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 -2.04 6.27 -0.18 1.61 1.01 -0.97 -4.35 116.67 118.03 1gm1 s ASP 63 Ca 0.00 1.35 -0.02 0.00 0.71 0.00 0.00 52.55 54.59 1gm1 s ASP 63 Cb 0.00 -2.44 -0.01 0.00 1.01 0.00 0.00 42.92 41.48 1gm1 s ASP 63 CO 0.00 -0.79 -0.08 -0.60 0.21 0.00 0.00 175.17 173.90 1gm1 s ARG 64 N -5.00 3.38 -0.24 8.23 3.52 -0.35 -1.45 118.95 127.04 1gm1 s ARG 64 Ca 0.54 -0.65 -0.18 0.00 -0.13 0.00 0.00 55.73 55.31 1gm1 s ARG 64 Cb -0.11 -2.84 -0.03 0.00 -1.56 0.00 0.00 34.95 30.42 1gm1 s ARG 64 CO 0.50 -0.01 0.52 0.08 -0.81 0.00 0.00 175.30 175.58 1gm1 s VAL 65 N 0.96 5.08 -0.16 7.11 1.01 -0.76 -0.55 120.40 133.09 1gm1 s VAL 65 Ca -0.01 0.91 -0.16 0.00 0.00 0.00 0.00 61.98 62.72 1gm1 s VAL 65 Cb -0.15 -3.83 -0.23 0.00 0.00 0.00 0.00 36.38 32.17 1gm1 s VAL 65 CO -0.00 0.11 0.34 -0.07 0.00 0.00 0.00 175.10 175.48 1gm1 h LEU 66 N 8.53 0.21 -7.38 3.92 3.38 -1.38 -3.42 115.31 119.16 1gm1 h LEU 66 Ca -0.30 -0.73 -0.12 0.00 0.09 0.00 0.00 57.88 56.82 1gm1 h LEU 66 Cb 1.14 -0.07 -0.23 0.00 0.09 0.00 0.00 40.66 41.60 1gm1 h LEU 66 CO 0.72 1.63 -0.25 0.00 0.09 0.00 0.00 178.44 180.63 1gm1 s ALA 67 N -2.45 -0.92 -0.28 1.53 0.00 -0.98 -1.90 121.76 116.76 1gm1 s ALA 67 Ca -0.25 0.85 -0.05 0.00 0.00 0.00 0.00 51.96 52.52 1gm1 s ALA 67 Cb 0.06 -0.38 0.02 0.00 0.00 0.00 0.00 23.12 22.81 1gm1 s ALA 67 CO 0.68 -0.21 0.03 0.08 0.00 0.00 0.00 175.76 176.34 1gm1 s VAL 68 N -0.33 3.52 -1.31 0.00 1.01 -0.07 -0.70 120.40 122.53 1gm1 s VAL 68 Ca -0.05 -0.87 -0.03 0.00 0.00 0.00 0.00 61.98 61.04 1gm1 s VAL 68 Cb -0.03 -2.83 0.00 0.00 0.00 0.00 0.00 36.38 33.52 1gm1 s VAL 68 CO 0.02 0.10 0.39 -3.20 0.00 0.00 0.00 175.10 172.40 1gm1 n ASN 69 N 4.78 -5.22 0.00 3.32 5.15 0.44 -1.18 115.26 122.55 1gm1 n ASN 69 Ca -0.15 -0.19 0.00 0.00 -0.60 0.00 0.00 54.58 53.64 1gm1 n ASN 69 Cb 0.47 -4.12 0.00 0.00 -0.53 0.00 0.00 39.78 35.60 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 -1.30 2.65 3.61 8.20 0.00 -1.26 -4.95 105.19 112.14 1gm1 n GLY 70 Ca -0.12 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.52 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 -2.50 5.29 0.24 1.61 1.01 -0.32 -5.06 120.40 120.67 1gm1 s VAL 71 Ca 0.00 0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.95 1gm1 s VAL 71 Cb 0.00 -3.56 -0.09 0.00 0.00 0.00 0.00 36.38 32.73 1gm1 s VAL 71 CO 0.00 0.26 1.08 -0.55 0.00 0.00 0.00 175.10 175.89 1gm1 s SER 72 N 1.55 7.31 -0.04 3.32 0.15 -1.26 -0.90 113.70 123.83 1gm1 s SER 72 Ca 0.09 2.18 0.10 0.00 0.70 0.00 0.00 55.95 59.02 1gm1 s SER 72 Cb -0.15 -2.62 0.37 0.00 -1.71 0.00 0.00 66.02 61.91 1gm1 s SER 72 CO 0.09 -0.13 1.24 0.18 1.20 0.00 0.00 173.24 175.82 1gm1 n LEU 73 N 1.59 2.58 -4.61 3.45 4.77 -0.80 -4.92 117.00 119.07 1gm1 n LEU 73 Ca -0.00 -1.30 -0.43 0.00 -0.03 0.00 0.00 56.01 54.25 1gm1 n LEU 73 Cb 0.45 -0.38 -0.03 0.00 -2.33 0.00 0.00 43.42 41.13 1gm1 n LEU 73 CO 0.53 0.49 1.76 -1.61 -1.33 0.00 0.00 177.39 177.24 1gm1 s GLU 74 N -1.64 3.34 0.00 3.23 0.41 -1.26 -1.48 118.70 121.30 1gm1 s GLU 74 Ca 0.27 2.07 0.00 0.00 -0.41 0.00 0.00 54.97 56.90 1gm1 s GLU 74 Cb 0.16 -4.31 0.00 0.00 -1.78 0.00 0.00 34.13 28.20 1gm1 s GLU 74 CO 0.14 -1.86 0.00 0.41 -0.49 0.00 0.00 175.26 173.46 1gm1 n GLY 75 N 5.48 0.80 3.78 -1.39 0.00 -1.26 -5.05 105.19 107.54 1gm1 n GLY 75 Ca 0.27 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.93 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 -3.17 2.94 0.72 4.61 0.00 -0.55 -4.92 121.76 121.38 1gm1 s ALA 76 Ca 0.00 0.82 0.00 0.00 0.00 0.00 0.00 51.96 52.78 1gm1 s ALA 76 Cb 0.00 -3.34 0.13 0.00 0.00 0.00 0.00 23.12 19.91 1gm1 s ALA 76 CO 0.00 -0.53 0.99 0.95 0.00 0.00 0.00 175.76 177.17 1gm1 s THR 77 N -1.67 2.08 0.09 0.00 -4.23 -1.26 -4.08 115.64 106.58 1gm1 s THR 77 Ca 0.64 -0.64 -0.31 0.00 -1.18 0.00 0.00 61.69 60.20 1gm1 s THR 77 Cb -0.25 -2.44 -0.13 0.00 1.34 0.00 0.00 72.50 71.01 1gm1 s THR 77 CO 0.30 0.00 1.61 -0.74 -0.54 0.00 0.00 174.62 175.25 1gm1 h HIS 78 N -0.50 -0.95 -0.99 3.99 2.76 -1.87 -2.94 115.15 114.65 1gm1 h HIS 78 Ca -0.35 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.89 1gm1 h HIS 78 Cb 1.27 0.37 -0.07 0.00 1.55 0.00 0.00 27.41 30.53 1gm1 h HIS 78 CO -0.18 -0.50 0.64 -0.22 -1.30 0.00 0.00 177.93 176.37 1gm1 h LYS 79 N -0.74 1.13 -0.14 5.26 1.63 -1.96 -2.34 116.57 119.41 1gm1 h LYS 79 Ca -0.03 -0.07 0.03 0.00 -0.85 0.00 0.00 60.65 59.74 1gm1 h LYS 79 Cb 0.66 -0.26 -0.03 0.00 -0.60 0.00 0.00 32.23 32.00 1gm1 h LYS 79 CO -0.05 0.75 -0.06 0.37 -3.45 0.00 0.00 179.45 177.00 1gm1 h GLN 80 N 1.17 -0.04 -0.69 1.90 -0.00 -1.93 0.99 115.11 116.51 1gm1 h GLN 80 Ca 0.43 0.00 -0.04 0.00 -0.00 0.00 0.00 58.65 59.04 1gm1 h GLN 80 Cb 0.16 0.01 -0.03 0.00 0.00 0.00 0.00 27.48 27.62 1gm1 h GLN 80 CO -0.17 -0.03 0.28 0.00 0.00 0.00 0.00 178.83 178.91 1gm1 h ALA 81 N 1.08 0.90 -0.07 3.38 0.00 -1.33 -1.20 119.26 122.02 1gm1 h ALA 81 Ca 0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 54.91 54.80 1gm1 h ALA 81 Cb 0.16 -0.27 -0.00 0.00 0.00 0.00 0.00 17.79 17.68 1gm1 h ALA 81 CO -0.17 0.51 0.02 0.28 0.00 0.00 0.00 179.25 179.90 1gm1 h VAL 82 N 0.98 1.17 -0.88 0.00 2.07 -1.08 0.11 116.25 118.62 1gm1 h VAL 82 Ca 0.23 -0.52 -0.00 0.00 0.82 0.00 0.00 66.70 67.23 1gm1 h VAL 82 Cb 0.21 1.38 -0.04 0.00 -1.52 0.00 0.00 31.29 31.31 1gm1 h VAL 82 CO -0.02 0.15 0.53 -0.33 0.02 0.00 0.00 177.57 177.92 1gm1 h GLU 83 N -0.07 1.19 -0.02 1.57 4.39 -0.79 -0.34 114.58 120.51 1gm1 h GLU 83 Ca 0.02 -0.11 -0.00 0.00 0.34 0.00 0.00 59.36 59.62 1gm1 h GLU 83 Cb 0.21 -0.25 -0.00 0.00 -0.10 0.00 0.00 28.75 28.61 1gm1 h GLU 83 CO -0.00 0.83 0.01 1.15 -1.16 0.00 0.00 179.01 179.84 1gm1 h THR 84 N 1.21 1.14 0.00 1.13 2.02 -1.06 -0.42 112.91 116.93 1gm1 h THR 84 Ca 0.32 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 67.02 1gm1 h THR 84 Cb -0.05 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 67.73 1gm1 h THR 84 CO -0.06 0.11 -0.32 -0.07 0.37 0.00 0.00 175.52 175.55 1gm1 h LEU 85 N -0.14 0.00 -0.03 2.58 3.38 -0.46 -2.73 115.31 117.91 1gm1 h LEU 85 Ca 0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1gm1 h LEU 85 Cb 0.17 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1gm1 h LEU 85 CO -0.00 0.32 -0.02 0.03 0.09 0.00 0.00 178.44 178.86 1gm1 h ARG 86 N 0.00 0.07 -3.24 1.13 -0.00 -1.03 -3.33 114.38 107.98 1gm1 h ARG 86 Ca -0.00 -0.03 -0.72 0.00 -0.50 0.00 0.00 59.98 58.72 1gm1 h ARG 86 Cb 0.58 -0.00 -0.07 0.00 0.00 0.00 0.00 29.97 30.48 1gm1 h ARG 86 CO 0.04 0.49 2.88 -1.71 0.00 0.00 0.00 179.97 181.67 1gm1 n ASN 87 N -4.82 6.61 -4.82 7.04 2.85 -0.17 -4.88 115.26 117.07 1gm1 n ASN 87 Ca -0.08 -2.91 -0.22 0.00 -0.11 0.00 0.00 54.58 51.26 1gm1 n ASN 87 Cb 0.25 -1.51 -0.04 0.00 1.24 0.00 0.00 39.78 39.71 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 1.07 4.39 0.00 -0.44 -4.23 -1.23 -4.85 115.64 110.36 1gm1 s THR 88 Ca 0.53 -1.43 0.00 0.00 -1.18 0.00 0.00 61.69 59.61 1gm1 s THR 88 Cb 0.15 -3.38 0.00 0.00 1.34 0.00 0.00 72.50 70.62 1gm1 s THR 88 CO -0.06 -0.35 0.00 0.61 -0.54 0.00 0.00 174.62 174.28 1gm1 n GLY 89 N -1.17 0.61 0.13 3.99 0.00 -1.26 -5.03 105.19 102.46 1gm1 n GLY 89 Ca -0.08 -1.87 -0.13 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.22 -5.31 1.61 4.15 -1.97 -3.41 115.11 109.96 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 0.05 -0.12 0.00 0.21 0.00 0.00 27.48 27.62 1gm1 h GLN 90 CO 0.00 0.10 -0.46 0.08 -1.93 0.00 0.00 178.83 176.62 1gm1 s VAL 91 N -4.77 5.39 -0.12 2.39 1.01 -1.26 -1.51 120.40 121.52 1gm1 s VAL 91 Ca -0.15 0.25 0.02 0.00 0.00 0.00 0.00 61.98 62.11 1gm1 s VAL 91 Cb 0.03 -3.50 -0.00 0.00 0.00 0.00 0.00 36.38 32.91 1gm1 s VAL 91 CO 0.60 0.43 -0.20 -0.69 0.00 0.00 0.00 175.10 175.25 1gm1 s VAL 92 N 0.37 2.41 -0.47 2.92 1.01 0.16 -4.98 120.40 121.81 1gm1 s VAL 92 Ca 0.10 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.23 1gm1 s VAL 92 Cb -0.11 -1.97 0.12 0.00 0.00 0.00 0.00 36.38 34.42 1gm1 s VAL 92 CO -0.01 0.54 0.21 -1.00 0.00 0.00 0.00 175.10 174.84 1gm1 s HIS 93 N 0.49 3.24 0.21 5.22 3.76 -1.25 -1.58 115.29 125.37 1gm1 s HIS 93 Ca -0.13 -3.08 -0.15 0.00 -0.15 0.00 0.00 55.06 51.55 1gm1 s HIS 93 Cb -0.17 -2.78 -0.08 0.00 1.11 0.00 0.00 32.58 30.66 1gm1 s HIS 93 CO 0.05 -0.79 0.64 -0.51 -0.85 0.00 0.00 174.74 173.27 1gm1 s LEU 94 N 0.05 4.26 -0.30 0.89 1.43 -0.56 -0.42 118.68 124.03 1gm1 s LEU 94 Ca 0.15 1.19 -0.09 0.00 -1.03 0.00 0.00 54.13 54.35 1gm1 s LEU 94 Cb -0.24 -3.58 -0.01 0.00 0.03 0.00 0.00 46.19 42.39 1gm1 s LEU 94 CO -0.02 -0.00 0.14 -0.22 0.23 0.00 0.00 176.35 176.47 1gm1 s LEU 95 N -2.29 3.98 -0.02 1.79 2.96 0.13 -0.63 118.68 124.60 1gm1 s LEU 95 Ca 0.44 -0.45 0.03 0.00 -0.22 0.00 0.00 54.13 53.92 1gm1 s LEU 95 Cb -0.14 -1.99 -0.00 0.00 0.50 0.00 0.00 46.19 44.56 1gm1 s LEU 95 CO 0.20 -0.16 -0.09 -0.22 -1.32 0.00 0.00 176.35 174.76 1gm1 s LEU 96 N 1.62 1.86 -0.18 -0.68 0.20 -0.91 -0.95 118.68 119.63 1gm1 s LEU 96 Ca 0.05 -0.18 -0.04 0.00 0.69 0.00 0.00 54.13 54.64 1gm1 s LEU 96 Cb -0.17 -0.53 -0.02 0.00 -0.43 0.00 0.00 46.19 45.04 1gm1 s LEU 96 CO 0.06 0.08 -0.02 -0.70 -0.29 0.00 0.00 176.35 175.48 1gm1 s GLU 97 N 0.06 3.63 0.24 1.98 2.12 0.28 -2.00 118.70 125.02 1gm1 s GLU 97 Ca -0.01 -0.52 -0.30 0.00 0.36 0.00 0.00 54.97 54.50 1gm1 s GLU 97 Cb -0.07 -3.01 -0.09 0.00 0.26 0.00 0.00 34.13 31.22 1gm1 s GLU 97 CO 0.00 0.10 0.94 0.21 -0.54 0.00 0.00 175.26 175.97 1gm1 s LYS 98 N 0.75 4.86 -1.37 4.30 2.36 -0.04 -1.22 119.74 129.38 1gm1 s LYS 98 Ca -0.01 1.49 -0.16 0.00 -2.55 0.00 0.00 55.97 54.75 1gm1 s LYS 98 Cb -0.14 -3.28 0.06 0.00 -1.05 0.00 0.00 37.83 33.42 1gm1 s LYS 98 CO 0.02 0.52 1.97 0.41 1.55 0.00 0.00 175.35 179.82 1gm1 n GLY 99 N 1.48 3.54 0.05 5.54 0.00 -1.26 -4.83 105.19 109.71 1gm1 n GLY 99 Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1gm1 n GLY 99 CO 0.00 0.00 0.00 0.06 0.00 0.00 0.00 173.32 173.38 1gm1 h GLN 100 N 6.76 -0.01 -4.74 1.61 3.07 -1.94 -3.37 115.11 116.49 1gm1 h GLN 100 Ca 0.50 0.00 -0.68 0.00 0.09 0.00 0.00 58.65 58.56 1gm1 h GLN 100 Cb 0.75 0.00 -0.25 0.00 0.08 0.00 0.00 27.48 28.07 1gm1 h GLN 100 CO 1.66 0.03 -0.58 0.08 0.09 0.00 0.00 178.83 180.11 1gm1 s VAL 101 N -6.03 4.23 -2.00 1.86 1.01 -1.26 -5.00 120.40 113.21 1gm1 s VAL 101 Ca -0.13 -0.70 0.19 0.00 0.00 0.00 0.00 61.98 61.34 1gm1 s VAL 101 Cb 0.06 -3.23 0.55 0.00 0.00 0.00 0.00 36.38 33.75 1gm1 s VAL 101 CO 0.66 -0.01 1.54 -2.65 0.00 0.00 0.00 175.10 174.64