#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 s PRO 10 N 0.00 1.25 0.00 1.64 0.04 -1.26 -4.84 135.00 131.83 1gm1 s PRO 10 Ca 0.00 -1.02 0.00 0.00 0.04 0.00 0.00 61.00 60.02 1gm1 s PRO 10 Cb 0.00 -2.19 0.00 0.00 0.04 0.00 0.00 34.50 32.35 1gm1 s PRO 10 CO 0.00 -1.81 0.00 0.41 0.04 0.00 0.00 177.00 175.64 1gm1 n GLY 11 N -3.14 0.92 3.79 0.56 0.00 -1.26 -5.04 105.19 101.01 1gm1 n GLY 11 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.82 7.30 0.19 1.61 2.15 -1.26 -4.69 116.67 120.15 1gm1 s ASP 12 Ca 0.00 1.70 0.02 0.00 0.43 0.00 0.00 52.55 54.70 1gm1 s ASP 12 Cb 0.00 -2.53 -0.04 0.00 -0.30 0.00 0.00 42.92 40.06 1gm1 s ASP 12 CO 0.00 0.03 0.35 0.42 -0.17 0.00 0.00 175.17 175.80 1gm1 s THR 13 N -1.48 5.26 -0.09 1.71 -4.23 -1.26 -0.82 115.64 114.74 1gm1 s THR 13 Ca 0.45 -0.60 -0.05 0.00 -1.18 0.00 0.00 61.69 60.30 1gm1 s THR 13 Cb -0.19 -3.76 0.04 0.00 1.34 0.00 0.00 72.50 69.92 1gm1 s THR 13 CO 0.24 -0.18 0.21 -0.36 -0.54 0.00 0.00 174.62 173.99 1gm1 s PHE 14 N -1.86 -0.26 -0.01 3.99 0.08 -0.04 -4.99 117.98 114.90 1gm1 s PHE 14 Ca 0.36 0.65 -0.22 0.00 0.12 0.00 0.00 56.93 57.84 1gm1 s PHE 14 Cb -0.11 0.03 -0.05 0.00 -0.57 0.00 0.00 43.02 42.33 1gm1 s PHE 14 CO 0.29 -0.18 0.65 -1.21 -0.10 0.00 0.00 175.22 174.68 1gm1 s GLU 15 N 0.83 4.39 -0.26 0.44 2.02 -1.26 -1.89 118.70 122.97 1gm1 s GLU 15 Ca -0.06 0.83 0.01 0.00 0.02 0.00 0.00 54.97 55.77 1gm1 s GLU 15 Cb -0.07 -3.37 0.07 0.00 0.10 0.00 0.00 34.13 30.85 1gm1 s GLU 15 CO -0.05 0.27 -0.01 0.08 0.02 0.00 0.00 175.26 175.57 1gm1 s VAL 16 N 0.10 1.48 -0.59 2.63 1.01 0.36 -5.00 120.40 120.38 1gm1 s VAL 16 Ca 0.34 -1.37 -0.21 0.00 0.00 0.00 0.00 61.98 60.75 1gm1 s VAL 16 Cb -0.18 -1.86 0.07 0.00 0.00 0.00 0.00 36.38 34.41 1gm1 s VAL 16 CO 0.18 -0.26 0.80 -1.61 0.00 0.00 0.00 175.10 174.21 1gm1 s GLU 17 N 1.39 3.12 -0.14 2.72 2.02 -1.26 -0.47 118.70 126.07 1gm1 s GLU 17 Ca -0.01 -0.93 -0.01 0.00 0.02 0.00 0.00 54.97 54.05 1gm1 s GLU 17 Cb -0.19 -4.19 -0.02 0.00 0.10 0.00 0.00 34.13 29.84 1gm1 s GLU 17 CO -0.09 -1.55 -0.11 -1.17 0.02 0.00 0.00 175.26 172.36 1gm1 s LEU 18 N 3.28 2.79 -0.11 1.80 2.96 0.99 -4.96 118.68 125.43 1gm1 s LEU 18 Ca 0.18 -0.31 -0.06 0.00 -0.22 0.00 0.00 54.13 53.72 1gm1 s LEU 18 Cb -0.19 -1.64 -0.04 0.00 0.50 0.00 0.00 46.19 44.82 1gm1 s LEU 18 CO 0.10 0.15 0.10 0.00 -1.32 0.00 0.00 176.35 175.38 1gm1 s ALA 19 N 0.47 3.71 0.66 5.97 0.00 -1.26 0.48 121.76 131.79 1gm1 s ALA 19 Ca -0.08 -0.69 -0.16 0.00 0.00 0.00 0.00 51.96 51.03 1gm1 s ALA 19 Cb -0.15 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.13 1gm1 s ALA 19 CO 0.04 0.60 1.18 0.15 0.00 0.00 0.00 175.76 177.74 1gm1 s LYS 20 N -0.97 2.61 -1.05 0.00 1.02 -0.76 -4.80 119.74 115.79 1gm1 s LYS 20 Ca 0.14 1.70 -0.05 0.00 0.02 0.00 0.00 55.97 57.78 1gm1 s LYS 20 Cb -0.12 -1.90 0.28 0.00 -0.52 0.00 0.00 37.83 35.58 1gm1 s LYS 20 CO 0.03 -1.46 1.20 0.25 -0.92 0.00 0.00 175.35 174.46 1gm1 n THR 21 N -2.21 4.56 -3.11 2.17 -2.24 -0.27 -4.68 114.28 108.50 1gm1 n THR 21 Ca 0.13 -5.56 -0.12 0.00 -2.27 0.00 0.00 64.05 56.23 1gm1 n THR 21 Cb 0.50 -2.33 0.06 0.00 -2.10 0.00 0.00 70.33 66.46 1gm1 n THR 21 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1gm1 n ASP 22 N 1.99 -6.53 0.00 3.42 2.03 -1.26 -3.07 116.55 113.13 1gm1 n ASP 22 Ca 0.25 -0.57 0.00 0.00 0.52 0.00 0.00 54.79 54.98 1gm1 n ASP 22 Cb 0.37 -4.94 0.00 0.00 -0.72 0.00 0.00 41.12 35.82 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 -1.32 2.71 3.79 0.27 0.00 -1.26 -5.01 105.19 104.37 1gm1 n GLY 23 Ca -0.06 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.58 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 0.42 6.79 -0.25 1.61 0.01 -1.18 -4.97 113.70 116.14 1gm1 s SER 24 Ca 0.00 0.94 -0.11 0.00 1.31 0.00 0.00 55.95 58.09 1gm1 s SER 24 Cb 0.00 -2.28 -0.11 0.00 0.21 0.00 0.00 66.02 63.84 1gm1 s SER 24 CO 0.00 0.20 -0.31 0.18 0.41 0.00 0.00 173.24 173.71 1gm1 n LEU 25 N 2.51 1.87 0.00 2.44 4.77 -1.26 -1.11 117.00 126.22 1gm1 n LEU 25 Ca -0.11 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.14 1gm1 n LEU 25 Cb 0.52 -0.74 0.00 0.00 -2.33 0.00 0.00 43.42 40.86 1gm1 n LEU 25 CO 0.40 0.55 0.00 0.61 -1.33 0.00 0.00 177.39 177.62 1gm1 n GLY 26 N 1.50 2.01 3.63 -0.72 0.00 -1.26 0.43 105.19 110.78 1gm1 n GLY 26 Ca -0.49 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.15 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 -2.38 5.22 -0.07 -0.61 -4.36 -1.26 -0.82 121.20 116.92 1gm1 s ILE 27 Ca 0.00 0.51 0.03 0.00 -0.26 0.00 0.00 60.65 60.93 1gm1 s ILE 27 Cb 0.00 -3.66 -0.02 0.00 1.25 0.00 0.00 42.46 40.02 1gm1 s ILE 27 CO 0.00 0.21 -0.14 -0.44 0.24 0.00 0.00 174.94 174.81 1gm1 s SER 28 N 1.44 4.04 0.30 4.36 0.01 -0.82 -5.02 113.70 118.00 1gm1 s SER 28 Ca 0.14 -0.22 0.07 0.00 1.31 0.00 0.00 55.95 57.25 1gm1 s SER 28 Cb -0.15 -1.02 -0.06 0.00 0.21 0.00 0.00 66.02 64.99 1gm1 s SER 28 CO 0.09 0.31 -0.05 0.68 0.41 0.00 0.00 173.24 174.67 1gm1 s VAL 29 N -0.49 1.71 0.33 3.43 -7.23 -1.26 -0.16 120.40 116.73 1gm1 s VAL 29 Ca 0.06 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.12 1gm1 s VAL 29 Cb -0.12 -2.52 -0.01 0.00 0.56 0.00 0.00 36.38 34.29 1gm1 s VAL 29 CO 0.02 -0.26 0.39 0.28 -0.31 0.00 0.00 175.10 175.22 1gm1 s THR 30 N -2.96 0.00 0.00 5.32 -1.32 0.72 -4.68 115.64 112.71 1gm1 s THR 30 Ca 0.31 -1.75 0.00 0.00 -1.21 0.00 0.00 61.69 59.03 1gm1 s THR 30 Cb 0.04 -2.57 0.00 0.00 -1.51 0.00 0.00 72.50 68.46 1gm1 s THR 30 CO 0.13 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.15 1gm1 n GLY 31 N -0.56 1.04 0.41 6.08 0.00 -1.26 -1.03 105.19 109.87 1gm1 n GLY 31 Ca 0.03 -1.52 0.05 0.00 0.00 0.00 0.00 46.02 44.58 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 -1.71 0.76 -0.02 0.00 0.56 -3.98 105.19 100.80 1gm1 n GLY 32 Ca 0.00 -1.42 0.00 0.00 0.00 0.00 0.00 46.02 44.60 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 -2.33 0.46 -0.09 1.61 0.31 -1.21 -2.58 118.33 114.51 1gm1 n VAL 33 Ca -0.00 0.00 -0.09 0.00 -0.01 0.00 0.00 64.34 64.24 1gm1 n VAL 33 Cb 0.19 -0.70 -0.16 0.00 -0.91 0.00 0.00 33.84 32.26 1gm1 n VAL 33 CO 0.00 0.00 0.00 -3.20 -1.32 0.00 0.00 176.83 172.31 1gm1 n ASN 34 N 0.33 0.10 -4.72 4.52 4.05 -1.26 -4.94 115.26 113.34 1gm1 n ASN 34 Ca 0.00 0.05 -0.26 0.00 0.45 0.00 0.00 54.58 54.81 1gm1 n ASN 34 Cb 0.33 0.94 -0.08 0.00 1.23 0.00 0.00 39.78 42.20 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1gm1 s THR 35 N -2.56 2.09 -0.59 -0.44 -4.23 -1.06 -5.03 115.64 103.81 1gm1 s THR 35 Ca -0.09 -1.78 -0.04 0.00 -1.18 0.00 0.00 61.69 58.60 1gm1 s THR 35 Cb 0.07 -2.87 0.12 0.00 1.34 0.00 0.00 72.50 71.16 1gm1 s THR 35 CO 0.83 0.00 2.60 -1.20 -0.54 0.00 0.00 174.62 176.32 1gm1 n SER 36 N -1.21 6.77 -4.85 3.99 7.64 -1.26 -4.87 113.62 119.82 1gm1 n SER 36 Ca -0.04 -3.32 -0.32 0.00 1.01 0.00 0.00 58.87 56.20 1gm1 n SER 36 Cb 0.65 -1.21 -0.04 0.00 -1.01 0.00 0.00 64.21 62.60 1gm1 n SER 36 CO 0.00 0.00 0.00 0.54 -3.01 0.00 0.00 175.04 172.57 1gm1 s VAL 37 N -2.72 4.61 0.04 0.44 0.11 -1.26 -4.99 120.40 116.64 1gm1 s VAL 37 Ca 0.57 1.03 -0.30 0.00 -2.93 0.00 0.00 61.98 60.35 1gm1 s VAL 37 Cb 0.38 -3.68 -0.08 0.00 -1.53 0.00 0.00 36.38 31.46 1gm1 s VAL 37 CO -0.25 -0.49 1.84 -0.13 -3.33 0.00 0.00 175.10 172.74 1gm1 s ARG 38 N -3.67 4.15 0.00 1.54 1.81 -1.26 -2.36 118.95 119.17 1gm1 s ARG 38 Ca 0.56 2.50 0.00 0.00 -1.72 0.00 0.00 55.73 57.07 1gm1 s ARG 38 Cb -0.10 -3.94 0.00 0.00 -0.45 0.00 0.00 34.95 30.46 1gm1 s ARG 38 CO 0.26 -0.88 0.00 1.58 -0.68 0.00 0.00 175.30 175.57 1gm1 n HIS 39 N 6.84 0.00 -2.56 -0.53 -0.00 -1.26 -4.27 115.22 113.45 1gm1 n HIS 39 Ca 0.18 0.00 -0.08 0.00 0.46 0.00 0.00 57.72 58.29 1gm1 n HIS 39 Cb 0.41 -0.40 0.04 0.00 -0.12 0.00 0.00 29.99 29.91 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 -2.00 -0.45 3.33 1.57 0.00 -0.99 -5.06 105.19 101.58 1gm1 n GLY 40 Ca 0.00 0.25 -0.13 0.00 0.00 0.00 0.00 46.02 46.14 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 -3.13 1.36 -0.24 -0.02 0.00 -1.26 -4.46 107.32 99.58 1gm1 s GLY 41 Ca 0.23 -1.55 -0.17 0.00 0.00 0.00 0.00 44.72 43.24 1gm1 s GLY 41 CO 0.46 -1.19 0.44 -0.42 0.00 0.00 0.00 173.10 172.39 1gm1 s ILE 42 N -3.91 5.14 0.16 0.90 -1.09 -1.26 -0.32 121.20 120.81 1gm1 s ILE 42 Ca 0.35 0.76 0.10 0.00 -2.23 0.00 0.00 60.65 59.63 1gm1 s ILE 42 Cb 0.04 -3.77 -0.04 0.00 -1.58 0.00 0.00 42.46 37.11 1gm1 s ILE 42 CO 0.14 0.16 -0.24 -0.31 -1.23 0.00 0.00 174.94 173.47 1gm1 s TYR 43 N 1.87 2.17 0.03 3.97 2.02 -0.20 -0.76 117.35 126.46 1gm1 s TYR 43 Ca 0.19 -0.39 -0.30 0.00 -0.37 0.00 0.00 57.07 56.20 1gm1 s TYR 43 Cb -0.15 -1.12 -0.05 0.00 -0.40 0.00 0.00 41.96 40.24 1gm1 s TYR 43 CO 0.09 0.39 1.14 0.08 -1.57 0.00 0.00 175.55 175.68 1gm1 s VAL 44 N -1.48 4.28 -0.24 0.71 1.01 0.23 -0.20 120.40 124.71 1gm1 s VAL 44 Ca 0.16 1.64 -0.11 0.00 0.00 0.00 0.00 61.98 63.67 1gm1 s VAL 44 Cb -0.08 -4.05 -0.17 0.00 0.00 0.00 0.00 36.38 32.08 1gm1 s VAL 44 CO 0.08 0.12 -0.09 1.17 0.00 0.00 0.00 175.10 176.37 1gm1 n LYS 45 N 4.02 0.62 -3.69 2.72 4.81 0.78 -0.81 118.16 126.61 1gm1 n LYS 45 Ca 0.08 0.31 -0.13 0.00 -0.87 0.00 0.00 58.31 57.70 1gm1 n LYS 45 Cb 0.48 -1.59 -0.07 0.00 0.02 0.00 0.00 35.03 33.87 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 -0.97 -0.26 3.14 0.00 -0.95 -4.76 121.76 115.48 1gm1 s ALA 46 Ca -0.33 0.38 -0.04 0.00 0.00 0.00 0.00 51.96 51.97 1gm1 s ALA 46 Cb 0.10 0.22 0.01 0.00 0.00 0.00 0.00 23.12 23.46 1gm1 s ALA 46 CO 0.58 -0.38 -0.02 -1.50 0.00 0.00 0.00 175.76 174.44 1gm1 s ILE 47 N -2.00 3.28 -0.02 0.00 1.10 -1.26 -1.95 121.20 120.36 1gm1 s ILE 47 Ca -0.08 -0.83 -0.30 0.00 -0.51 0.00 0.00 60.65 58.93 1gm1 s ILE 47 Cb -0.02 -2.64 -0.04 0.00 0.15 0.00 0.00 42.46 39.91 1gm1 s ILE 47 CO 0.01 0.21 1.14 -0.63 -2.11 0.00 0.00 174.94 173.55 1gm1 s ILE 48 N 1.40 4.36 0.23 2.00 -1.09 0.00 -4.99 121.20 123.12 1gm1 s ILE 48 Ca 0.02 1.69 -0.32 0.00 -2.23 0.00 0.00 60.65 59.81 1gm1 s ILE 48 Cb -0.16 -4.08 -0.12 0.00 -1.58 0.00 0.00 42.46 36.51 1gm1 s ILE 48 CO -0.02 0.06 1.60 -2.65 -1.23 0.00 0.00 174.94 172.70 1gm1 n PRO 49 N 4.55 2.51 -1.21 2.79 -0.02 -1.26 -1.86 135.00 140.49 1gm1 n PRO 49 Ca 0.09 0.90 -0.07 0.00 -2.02 0.00 0.00 63.50 62.40 1gm1 n PRO 49 Cb 0.47 -2.68 -0.03 0.00 -0.02 0.00 0.00 33.50 31.24 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 2.92 -0.59 -2.01 -0.52 5.02 -1.26 -5.05 118.16 116.66 1gm1 n LYS 50 Ca 0.13 0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 56.83 1gm1 n LYS 50 Cb 0.34 -4.55 0.00 0.00 -0.02 0.00 0.00 35.03 30.80 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 -2.82 1.88 0.11 0.72 0.00 -0.78 -4.92 107.32 101.52 1gm1 s GLY 51 Ca 0.00 0.13 -0.34 0.00 0.00 0.00 0.00 44.72 44.51 1gm1 s GLY 51 CO 0.00 0.42 1.55 0.00 0.00 0.00 0.00 173.10 175.07 1gm1 h ALA 52 N 0.15 -0.92 -0.40 3.20 0.00 -1.41 -1.93 119.26 117.94 1gm1 h ALA 52 Ca -0.45 -0.07 -0.03 0.00 0.00 0.00 0.00 54.91 54.36 1gm1 h ALA 52 Cb 1.20 0.98 -0.02 0.00 0.00 0.00 0.00 17.79 19.95 1gm1 h ALA 52 CO 0.60 -1.10 0.15 0.00 0.00 0.00 0.00 179.25 178.89 1gm1 h ALA 53 N -0.36 0.52 -0.41 0.00 0.00 -0.34 -2.35 119.26 116.32 1gm1 h ALA 53 Ca 0.02 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 54.83 1gm1 h ALA 53 Cb 0.71 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.27 1gm1 h ALA 53 CO -0.39 0.14 -0.47 1.49 0.00 0.00 0.00 179.25 180.02 1gm1 h GLU 54 N 0.50 -0.27 -0.35 0.00 4.22 -1.67 -2.84 114.58 114.17 1gm1 h GLU 54 Ca 0.13 0.02 -0.09 0.00 0.08 0.00 0.00 59.36 59.51 1gm1 h GLU 54 Cb 0.21 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.51 1gm1 h GLU 54 CO -0.01 -0.18 -0.11 1.03 -2.18 0.00 0.00 179.01 177.56 1gm1 h SER 55 N -0.28 0.71 -0.04 1.04 0.87 -1.31 -3.30 113.55 111.25 1gm1 h SER 55 Ca 0.07 -0.38 0.03 0.00 -1.23 0.00 0.00 61.79 60.28 1gm1 h SER 55 Cb 0.47 -0.20 -0.06 0.00 -0.44 0.00 0.00 62.40 62.18 1gm1 h SER 55 CO -0.53 0.93 -0.46 -0.78 -0.53 0.00 0.00 176.83 175.46 1gm1 h ASP 56 N 0.49 -1.41 -0.04 6.23 3.58 -1.37 -3.47 116.42 120.44 1gm1 h ASP 56 Ca 0.09 0.17 0.00 0.00 0.42 0.00 0.00 57.03 57.71 1gm1 h ASP 56 Cb 0.63 0.55 0.00 0.00 1.72 0.00 0.00 39.33 42.23 1gm1 h ASP 56 CO 0.04 -0.47 0.00 0.61 -2.88 0.00 0.00 179.24 176.54 1gm1 n GLY 57 N -1.45 1.54 0.09 -0.78 0.00 -1.08 -4.95 105.19 98.56 1gm1 n GLY 57 Ca -0.06 -0.19 -0.09 0.00 0.00 0.00 0.00 46.02 45.68 1gm1 n GLY 57 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1gm1 n ARG 58 N -0.86 0.67 -4.37 1.61 1.74 -1.26 -4.94 116.66 109.25 1gm1 n ARG 58 Ca 0.00 0.08 -0.34 0.00 -0.77 0.00 0.00 57.85 56.83 1gm1 n ARG 58 Cb 0.11 -1.60 -0.12 0.00 -1.02 0.00 0.00 32.46 29.83 1gm1 n ARG 58 CO 0.00 0.00 0.00 0.42 -1.52 0.00 0.00 177.63 176.53 1gm1 s ILE 59 N -2.53 3.98 0.21 0.55 1.01 -1.26 -4.95 121.20 118.22 1gm1 s ILE 59 Ca -0.08 -0.33 -0.02 0.00 0.00 0.00 0.00 60.65 60.22 1gm1 s ILE 59 Cb 0.07 -2.75 -0.03 0.00 0.01 0.00 0.00 42.46 39.75 1gm1 s ILE 59 CO 0.83 0.49 0.19 -2.28 0.00 0.00 0.00 174.94 174.17 1gm1 s HIS 60 N 0.35 1.09 0.36 3.97 2.46 -1.26 -4.63 115.29 117.62 1gm1 s HIS 60 Ca -0.04 -1.31 -0.28 0.00 0.47 0.00 0.00 55.06 53.91 1gm1 s HIS 60 Cb -0.14 -0.47 -0.10 0.00 -0.13 0.00 0.00 32.58 31.75 1gm1 s HIS 60 CO 0.03 -0.70 1.30 -1.59 -2.47 0.00 0.00 174.74 171.31 1gm1 s LYS 61 N -4.09 4.22 0.00 2.88 -2.85 -1.26 -2.42 119.74 116.22 1gm1 s LYS 61 Ca 0.37 2.19 0.00 0.00 -1.00 0.00 0.00 55.97 57.53 1gm1 s LYS 61 Cb 0.06 -2.96 0.00 0.00 -2.06 0.00 0.00 37.83 32.87 1gm1 s LYS 61 CO 0.12 -0.29 0.00 0.41 0.10 0.00 0.00 175.35 175.70 1gm1 n GLY 62 N 0.74 0.74 3.84 0.59 0.00 0.01 -4.97 105.19 106.15 1gm1 n GLY 62 Ca 0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.71 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 -2.10 6.59 -0.24 1.61 1.01 -1.02 -4.14 116.67 118.39 1gm1 s ASP 63 Ca 0.00 1.58 -0.13 0.00 0.71 0.00 0.00 52.55 54.72 1gm1 s ASP 63 Cb 0.00 -2.51 -0.04 0.00 1.01 0.00 0.00 42.92 41.37 1gm1 s ASP 63 CO 0.00 -0.61 0.26 -0.60 0.21 0.00 0.00 175.17 174.43 1gm1 s ARG 64 N -4.05 4.08 -0.07 8.23 3.52 -0.19 -0.60 118.95 129.87 1gm1 s ARG 64 Ca 0.59 -0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.88 1gm1 s ARG 64 Cb -0.10 -3.57 -0.04 0.00 -1.56 0.00 0.00 34.95 29.68 1gm1 s ARG 64 CO 0.31 -0.05 0.63 0.08 -0.81 0.00 0.00 175.30 175.47 1gm1 s VAL 65 N 1.36 5.06 -0.25 7.11 1.01 0.06 -0.31 120.40 134.44 1gm1 s VAL 65 Ca 0.12 1.30 -0.15 0.00 0.00 0.00 0.00 61.98 63.25 1gm1 s VAL 65 Cb -0.14 -3.97 -0.11 0.00 0.00 0.00 0.00 36.38 32.15 1gm1 s VAL 65 CO 0.07 0.29 -0.31 0.18 0.00 0.00 0.00 175.10 175.33 1gm1 n LEU 66 N 3.62 1.95 -3.73 3.92 7.99 -0.51 -4.53 117.00 125.69 1gm1 n LEU 66 Ca -0.03 0.35 -0.13 0.00 -0.01 0.00 0.00 56.01 56.18 1gm1 n LEU 66 Cb 0.51 -0.82 -0.09 0.00 -0.11 0.00 0.00 43.42 42.91 1gm1 n LEU 66 CO 0.46 0.36 0.07 0.00 -1.51 0.00 0.00 177.39 176.77 1gm1 s ALA 67 N -2.59 -0.95 -0.29 -1.18 0.00 -0.63 -0.07 121.76 116.05 1gm1 s ALA 67 Ca -0.36 0.83 -0.03 0.00 0.00 0.00 0.00 51.96 52.41 1gm1 s ALA 67 Cb 0.12 -0.34 0.04 0.00 0.00 0.00 0.00 23.12 22.94 1gm1 s ALA 67 CO 0.48 -0.22 0.01 0.08 0.00 0.00 0.00 175.76 176.10 1gm1 s VAL 68 N -0.44 3.16 -1.05 0.00 1.01 -0.38 -1.53 120.40 121.17 1gm1 s VAL 68 Ca -0.06 -1.19 -0.04 0.00 0.00 0.00 0.00 61.98 60.69 1gm1 s VAL 68 Cb -0.04 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.60 1gm1 s VAL 68 CO 0.02 -0.02 0.47 -3.20 0.00 0.00 0.00 175.10 172.37 1gm1 n ASN 69 N 4.68 -4.73 0.00 3.32 2.85 0.46 -1.99 115.26 119.85 1gm1 n ASN 69 Ca -0.14 -0.22 0.00 0.00 -0.11 0.00 0.00 54.58 54.11 1gm1 n ASN 69 Cb 0.45 -3.56 0.00 0.00 1.24 0.00 0.00 39.78 37.91 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 -1.31 2.16 3.48 8.20 0.00 -1.25 -4.98 105.19 111.48 1gm1 n GLY 70 Ca -0.07 0.00 -0.43 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 -3.37 4.54 0.29 1.61 1.01 -0.84 -5.02 120.40 118.61 1gm1 s VAL 71 Ca 0.00 -0.12 -0.29 0.00 0.00 0.00 0.00 61.98 61.57 1gm1 s VAL 71 Cb 0.00 -4.49 -0.10 0.00 0.00 0.00 0.00 36.38 31.79 1gm1 s VAL 71 CO 0.00 -1.08 1.15 -0.44 0.00 0.00 0.00 175.10 174.73 1gm1 s SER 72 N 2.98 7.14 0.00 3.32 0.01 -1.26 -1.25 113.70 124.64 1gm1 s SER 72 Ca 0.24 2.37 0.27 0.00 1.31 0.00 0.00 55.95 60.14 1gm1 s SER 72 Cb -0.16 -2.63 0.90 0.00 0.21 0.00 0.00 66.02 64.34 1gm1 s SER 72 CO 0.15 -0.24 1.65 0.18 0.41 0.00 0.00 173.24 175.39 1gm1 n LEU 73 N 1.13 1.29 -4.58 2.44 4.77 0.90 -4.86 117.00 118.08 1gm1 n LEU 73 Ca -0.01 -0.39 -0.41 0.00 -0.03 0.00 0.00 56.01 55.17 1gm1 n LEU 73 Cb 0.44 -0.06 -0.03 0.00 -2.33 0.00 0.00 43.42 41.44 1gm1 n LEU 73 CO 0.55 0.23 1.61 -1.83 -1.33 0.00 0.00 177.39 176.62 1gm1 s GLU 74 N -2.24 2.95 0.00 3.23 -1.05 -1.26 -1.07 118.70 119.26 1gm1 s GLU 74 Ca 0.31 1.13 0.00 0.00 -0.15 0.00 0.00 54.97 56.26 1gm1 s GLU 74 Cb 0.20 -4.31 0.00 0.00 -0.44 0.00 0.00 34.13 29.58 1gm1 s GLU 74 CO 0.42 -2.33 0.00 0.41 0.95 0.00 0.00 175.26 174.72 1gm1 n GLY 75 N 5.59 2.39 3.79 -3.83 0.00 -1.26 -5.11 105.19 106.76 1gm1 n GLY 75 Ca 0.23 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.92 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 -2.17 2.70 0.70 4.61 0.00 -0.23 -4.81 121.76 122.56 1gm1 s ALA 76 Ca 0.00 0.48 -0.00 0.00 0.00 0.00 0.00 51.96 52.44 1gm1 s ALA 76 Cb 0.00 -3.26 0.12 0.00 0.00 0.00 0.00 23.12 19.97 1gm1 s ALA 76 CO 0.00 -0.85 0.97 0.95 0.00 0.00 0.00 175.76 176.83 1gm1 s THR 77 N -2.33 2.19 0.11 0.00 -4.23 -1.26 -3.29 115.64 106.82 1gm1 s THR 77 Ca 0.65 -0.61 -0.25 0.00 -1.18 0.00 0.00 61.69 60.30 1gm1 s THR 77 Cb -0.18 -2.58 -0.08 0.00 1.34 0.00 0.00 72.50 71.01 1gm1 s THR 77 CO 0.35 0.00 1.66 -0.74 -0.54 0.00 0.00 174.62 175.36 1gm1 h HIS 78 N -0.45 -0.49 -0.46 3.99 2.76 -1.85 -2.35 115.15 116.29 1gm1 h HIS 78 Ca -0.37 0.01 0.06 0.00 -2.20 0.00 0.00 60.37 57.88 1gm1 h HIS 78 Cb 1.27 0.21 -0.05 0.00 1.55 0.00 0.00 27.41 30.39 1gm1 h HIS 78 CO -0.12 -0.27 0.15 -0.22 -1.30 0.00 0.00 177.93 176.18 1gm1 h LYS 79 N -0.33 0.31 0.04 5.26 1.63 -1.95 -0.47 116.57 121.05 1gm1 h LYS 79 Ca 0.04 -0.02 0.01 0.00 -0.85 0.00 0.00 60.65 59.83 1gm1 h LYS 79 Cb 0.38 -0.07 -0.02 0.00 -0.60 0.00 0.00 32.23 31.92 1gm1 h LYS 79 CO -0.13 0.21 -0.10 0.37 -3.45 0.00 0.00 179.45 176.34 1gm1 h GLN 80 N 0.32 -0.19 -0.45 1.90 -0.00 -1.92 0.14 115.11 114.91 1gm1 h GLN 80 Ca 0.22 0.01 -0.07 0.00 -0.00 0.00 0.00 58.65 58.81 1gm1 h GLN 80 Cb 0.23 0.04 -0.02 0.00 0.00 0.00 0.00 27.48 27.74 1gm1 h GLN 80 CO -0.23 -0.13 -0.02 0.00 0.00 0.00 0.00 178.83 178.45 1gm1 h ALA 81 N 0.74 1.12 -0.18 3.38 0.00 -1.29 -0.25 119.26 122.78 1gm1 h ALA 81 Ca 0.03 -0.26 -0.20 0.00 0.00 0.00 0.00 54.91 54.47 1gm1 h ALA 81 Cb 0.22 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.83 1gm1 h ALA 81 CO -0.08 0.56 -0.67 0.28 0.00 0.00 0.00 179.25 179.34 1gm1 h VAL 82 N 0.70 1.29 -0.57 0.00 2.07 -0.89 0.16 116.25 119.02 1gm1 h VAL 82 Ca 0.14 -1.88 0.04 0.00 0.82 0.00 0.00 66.70 65.82 1gm1 h VAL 82 Cb 0.45 1.91 -0.04 0.00 -1.52 0.00 0.00 31.29 32.09 1gm1 h VAL 82 CO 0.02 0.60 0.31 -0.33 0.02 0.00 0.00 177.57 178.19 1gm1 h GLU 83 N 0.51 0.59 -0.30 1.57 4.39 -0.64 -2.47 114.58 118.23 1gm1 h GLU 83 Ca -0.03 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1gm1 h GLU 83 Cb 1.30 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 1gm1 h GLU 83 CO 0.14 0.39 0.16 1.15 -1.16 0.00 0.00 179.01 179.69 1gm1 h THR 84 N 0.61 1.13 -0.01 1.13 2.02 -0.85 -0.91 112.91 116.02 1gm1 h THR 84 Ca 0.24 -0.34 -0.14 0.00 0.77 0.00 0.00 66.41 66.93 1gm1 h THR 84 Cb 0.11 0.82 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 1gm1 h THR 84 CO -0.14 0.13 -0.67 0.17 0.37 0.00 0.00 175.52 175.38 1gm1 h LEU 85 N 0.36 0.08 -0.71 2.58 -0.00 -0.90 -2.65 115.31 114.08 1gm1 h LEU 85 Ca 0.10 -0.05 -0.08 0.00 -0.00 0.00 0.00 57.88 57.85 1gm1 h LEU 85 Cb 0.07 -0.02 -0.02 0.00 -0.00 0.00 0.00 40.66 40.68 1gm1 h LEU 85 CO -0.02 0.72 0.07 0.03 -0.00 0.00 0.00 178.44 179.25 1gm1 h ARG 86 N 0.05 1.06 -2.38 0.17 -0.00 -1.41 -3.21 114.38 108.66 1gm1 h ARG 86 Ca -0.01 -0.29 -0.61 0.00 -0.50 0.00 0.00 59.98 58.57 1gm1 h ARG 86 Cb 1.18 -0.12 -0.13 0.00 0.00 0.00 0.00 29.97 30.90 1gm1 h ARG 86 CO 0.09 0.99 1.59 -1.71 0.00 0.00 0.00 179.97 180.94 1gm1 n ASN 87 N -4.20 7.34 -4.79 7.04 2.85 -0.35 -4.90 115.26 118.24 1gm1 n ASN 87 Ca 0.04 -3.08 -0.25 0.00 -0.11 0.00 0.00 54.58 51.19 1gm1 n ASN 87 Cb 0.31 -1.33 -0.05 0.00 1.24 0.00 0.00 39.78 39.94 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 -1.16 4.39 0.00 -0.44 -4.23 -1.22 -4.88 115.64 108.10 1gm1 s THR 88 Ca 0.58 -1.25 0.00 0.00 -1.18 0.00 0.00 61.69 59.84 1gm1 s THR 88 Cb 0.27 -3.29 0.00 0.00 1.34 0.00 0.00 72.50 70.82 1gm1 s THR 88 CO -0.13 -0.21 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 1gm1 n GLY 89 N -0.66 -0.41 0.08 3.99 0.00 -1.26 -5.01 105.19 101.91 1gm1 n GLY 89 Ca -0.08 -1.71 -0.13 0.00 0.00 0.00 0.00 46.02 44.10 1gm1 n GLY 89 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1gm1 h GLN 90 N 0.00 0.10 -5.68 1.61 -0.00 -2.01 -3.42 115.11 105.71 1gm1 h GLN 90 Ca 0.00 -0.06 -0.60 0.00 -0.00 0.00 0.00 58.65 57.99 1gm1 h GLN 90 Cb 0.00 0.01 -0.08 0.00 0.00 0.00 0.00 27.48 27.40 1gm1 h GLN 90 CO 0.00 0.61 -0.29 0.08 0.00 0.00 0.00 178.83 179.23 1gm1 s VAL 91 N -4.07 5.24 -0.05 2.39 1.01 -1.26 -1.83 120.40 121.84 1gm1 s VAL 91 Ca -0.16 0.63 0.05 0.00 0.00 0.00 0.00 61.98 62.50 1gm1 s VAL 91 Cb 0.02 -3.64 -0.00 0.00 0.00 0.00 0.00 36.38 32.75 1gm1 s VAL 91 CO 0.70 0.46 -0.19 -0.69 0.00 0.00 0.00 175.10 175.38 1gm1 s VAL 92 N -0.12 1.60 -0.41 2.92 1.01 0.18 -4.99 120.40 120.58 1gm1 s VAL 92 Ca 0.19 -0.81 0.03 0.00 0.00 0.00 0.00 61.98 61.40 1gm1 s VAL 92 Cb -0.14 -1.37 0.11 0.00 0.00 0.00 0.00 36.38 34.99 1gm1 s VAL 92 CO 0.07 0.45 0.15 -2.28 0.00 0.00 0.00 175.10 173.50 1gm1 s HIS 93 N 0.02 3.08 0.20 5.22 2.46 -1.26 -0.01 115.29 125.00 1gm1 s HIS 93 Ca -0.05 -2.84 0.03 0.00 0.47 0.00 0.00 55.06 52.68 1gm1 s HIS 93 Cb -0.12 -2.61 -0.03 0.00 -0.13 0.00 0.00 32.58 29.69 1gm1 s HIS 93 CO 0.03 -0.85 0.33 -0.51 -2.47 0.00 0.00 174.74 171.28 1gm1 s LEU 94 N 0.50 4.31 -0.06 8.88 1.43 0.38 -0.40 118.68 133.72 1gm1 s LEU 94 Ca 0.14 0.15 0.03 0.00 -1.03 0.00 0.00 54.13 53.42 1gm1 s LEU 94 Cb -0.22 -2.92 0.01 0.00 0.03 0.00 0.00 46.19 43.09 1gm1 s LEU 94 CO -0.06 -0.02 -0.15 -0.22 0.23 0.00 0.00 176.35 176.13 1gm1 s LEU 95 N -3.60 1.77 0.11 1.79 2.96 -0.58 -0.49 118.68 120.64 1gm1 s LEU 95 Ca 0.35 -0.34 -0.03 0.00 -0.22 0.00 0.00 54.13 53.89 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 0.29 0.08 0.09 -1.48 -1.32 0.00 0.00 176.35 174.01 1gm1 s LEU 96 N 0.44 1.76 0.04 -0.68 -0.00 -0.79 -1.43 118.68 118.02 1gm1 s LEU 96 Ca -0.12 -1.04 0.08 0.00 -0.00 0.00 0.00 54.13 53.05 1gm1 s LEU 96 Cb -0.15 0.52 -0.03 0.00 -0.00 0.00 0.00 46.19 46.53 1gm1 s LEU 96 CO 0.04 -0.73 -0.20 -0.70 -0.00 0.00 0.00 176.35 174.76 1gm1 s GLU 97 N -3.98 2.01 0.22 1.48 2.12 0.57 -0.86 118.70 120.26 1gm1 s GLU 97 Ca 0.17 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.19 1gm1 s GLU 97 Cb 0.07 -2.14 -0.08 0.00 0.26 0.00 0.00 34.13 32.24 1gm1 s GLU 97 CO -0.03 0.54 1.06 0.21 -0.54 0.00 0.00 175.26 176.50 1gm1 s LYS 98 N -1.36 4.66 -0.04 4.30 2.47 0.00 -1.02 119.74 128.76 1gm1 s LYS 98 Ca 0.14 1.69 -0.35 0.00 -1.56 0.00 0.00 55.97 55.89 1gm1 s LYS 98 Cb -0.10 -3.25 -0.13 0.00 -1.46 0.00 0.00 37.83 32.88 1gm1 s LYS 98 CO 0.04 0.21 1.76 0.41 0.16 0.00 0.00 175.35 177.93 1gm1 n GLY 99 N 1.66 1.24 3.95 5.54 0.00 -1.26 -4.01 105.19 112.31 1gm1 n GLY 99 Ca 0.00 0.81 -0.29 0.00 0.00 0.00 0.00 46.02 46.55 1gm1 n GLY 99 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1gm1 s GLN 100 N 3.02 0.58 0.61 1.61 -2.07 -1.26 -4.77 119.66 117.37 1gm1 s GLN 100 Ca 0.90 -0.64 0.07 0.00 -1.82 0.00 0.00 55.36 53.87 1gm1 s GLN 100 Cb -0.76 -1.91 0.10 0.00 -1.09 0.00 0.00 33.01 29.35 1gm1 s GLN 100 CO 0.50 -2.40 0.84 0.14 -1.32 0.00 0.00 175.29 173.05 1gm1 s VAL 101 N -3.82 2.13 -2.00 3.63 -7.23 -1.26 -5.11 120.40 106.74 1gm1 s VAL 101 Ca 0.75 -0.91 0.08 0.00 -1.81 0.00 0.00 61.98 60.09 1gm1 s VAL 101 Cb -0.03 -2.21 0.24 0.00 0.56 0.00 0.00 36.38 34.94 1gm1 s VAL 101 CO 0.52 0.00 0.95 -2.65 -0.31 0.00 0.00 175.10 173.62