#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 -2.00 0.00 1.97 0.02 -1.26 -4.77 135.00 128.96 1gm1 s PRO 10 Ca 0.00 -0.08 0.00 0.00 0.02 0.00 0.00 61.00 60.94 1gm1 s PRO 10 Cb 0.00 -1.51 0.00 0.00 0.02 0.00 0.00 34.50 33.01 1gm1 s PRO 10 CO 0.00 -4.22 0.00 0.41 -0.33 0.00 0.00 177.00 172.86 1gm1 n GLY 11 N -0.17 1.74 3.73 0.52 0.00 -1.10 -5.06 105.19 104.86 1gm1 n GLY 11 Ca 0.14 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.76 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 -2.00 7.09 0.07 1.61 -1.08 -1.26 -4.80 116.67 116.30 1gm1 s ASP 12 Ca 0.00 1.31 0.01 0.00 -0.52 0.00 0.00 52.55 53.35 1gm1 s ASP 12 Cb 0.00 -2.44 -0.04 0.00 -1.46 0.00 0.00 42.92 38.98 1gm1 s ASP 12 CO 0.00 -0.06 0.17 0.42 0.52 0.00 0.00 175.17 176.22 1gm1 s THR 13 N 0.43 5.10 -0.09 1.71 -4.23 -1.26 -0.53 115.64 116.78 1gm1 s THR 13 Ca 0.38 -0.54 -0.06 0.00 -1.18 0.00 0.00 61.69 60.29 1gm1 s THR 13 Cb -0.19 -3.49 0.03 0.00 1.34 0.00 0.00 72.50 70.19 1gm1 s THR 13 CO 0.20 0.11 0.21 -0.36 -0.54 0.00 0.00 174.62 174.25 1gm1 s PHE 14 N -1.49 -0.26 -0.24 3.99 0.08 -0.16 -5.00 117.98 114.90 1gm1 s PHE 14 Ca 0.33 0.63 -0.19 0.00 0.12 0.00 0.00 56.93 57.82 1gm1 s PHE 14 Cb -0.13 0.04 -0.03 0.00 -0.57 0.00 0.00 43.02 42.34 1gm1 s PHE 14 CO 0.26 -0.16 0.56 -1.21 -0.10 0.00 0.00 175.22 174.57 1gm1 s GLU 15 N 0.69 4.13 -0.50 0.44 2.02 -1.26 -1.68 118.70 122.53 1gm1 s GLU 15 Ca -0.05 0.44 -0.16 0.00 0.02 0.00 0.00 54.97 55.23 1gm1 s GLU 15 Cb -0.06 -3.62 0.10 0.00 0.10 0.00 0.00 34.13 30.65 1gm1 s GLU 15 CO -0.04 -0.31 0.44 0.08 0.02 0.00 0.00 175.26 175.45 1gm1 s VAL 16 N 2.16 5.20 -0.98 2.63 1.01 -0.70 -4.97 120.40 124.74 1gm1 s VAL 16 Ca 0.24 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 60.88 1gm1 s VAL 16 Cb -0.16 -4.21 0.25 0.00 0.00 0.00 0.00 36.38 32.26 1gm1 s VAL 16 CO 0.09 -0.71 0.92 -1.61 0.00 0.00 0.00 175.10 173.79 1gm1 s GLU 17 N 1.62 3.72 0.09 2.72 2.02 -1.26 -0.57 118.70 127.04 1gm1 s GLU 17 Ca 0.04 -3.13 0.06 0.00 0.02 0.00 0.00 54.97 51.96 1gm1 s GLU 17 Cb -0.27 -4.28 -0.04 0.00 0.10 0.00 0.00 34.13 29.64 1gm1 s GLU 17 CO 0.05 -1.25 -0.07 -1.17 0.02 0.00 0.00 175.26 172.83 1gm1 s LEU 18 N -1.08 3.15 -0.02 1.80 2.96 -0.35 -4.93 118.68 120.21 1gm1 s LEU 18 Ca 0.27 -0.31 -0.02 0.00 -0.22 0.00 0.00 54.13 53.85 1gm1 s LEU 18 Cb -0.10 -1.91 -0.04 0.00 0.50 0.00 0.00 46.19 44.64 1gm1 s LEU 18 CO -0.09 0.19 0.11 0.00 -1.32 0.00 0.00 176.35 175.23 1gm1 s ALA 19 N -1.21 3.70 0.65 5.97 0.00 -1.26 0.61 121.76 130.22 1gm1 s ALA 19 Ca 0.22 -0.82 -0.15 0.00 0.00 0.00 0.00 51.96 51.21 1gm1 s ALA 19 Cb -0.11 -1.70 -0.01 0.00 0.00 0.00 0.00 23.12 21.30 1gm1 s ALA 19 CO 0.14 0.69 1.11 0.15 0.00 0.00 0.00 175.76 177.85 1gm1 s LYS 20 N -1.68 2.88 -0.40 0.00 1.02 -0.59 -4.83 119.74 116.14 1gm1 s LYS 20 Ca 0.23 1.39 -0.03 0.00 0.02 0.00 0.00 55.97 57.58 1gm1 s LYS 20 Cb -0.12 -1.96 0.11 0.00 -0.52 0.00 0.00 37.83 35.33 1gm1 s LYS 20 CO 0.14 -1.19 0.20 0.95 -0.92 0.00 0.00 175.35 174.53 1gm1 s THR 21 N -2.31 3.31 -1.32 2.17 -4.23 -0.47 -4.72 115.64 108.08 1gm1 s THR 21 Ca 0.67 -1.99 -0.05 0.00 -1.18 0.00 0.00 61.69 59.14 1gm1 s THR 21 Cb -0.20 -3.24 0.02 0.00 1.34 0.00 0.00 72.50 70.41 1gm1 s THR 21 CO 0.40 -0.65 1.01 -0.67 -0.54 0.00 0.00 174.62 174.17 1gm1 n ASP 22 N 4.61 -3.67 0.00 3.99 2.03 -1.26 -1.55 116.55 120.69 1gm1 n ASP 22 Ca -0.03 -0.65 0.00 0.00 0.52 0.00 0.00 54.79 54.63 1gm1 n ASP 22 Cb 0.41 -4.74 0.00 0.00 -0.72 0.00 0.00 41.12 36.07 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 -1.57 2.00 3.81 0.27 0.00 -1.26 -5.03 105.19 103.40 1gm1 n GLY 23 Ca -0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.56 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 -3.02 5.74 0.03 1.61 0.01 -0.60 -5.01 113.70 112.46 1gm1 s SER 24 Ca 0.00 0.09 -0.01 0.00 1.31 0.00 0.00 55.95 57.34 1gm1 s SER 24 Cb 0.00 -1.62 -0.00 0.00 0.21 0.00 0.00 66.02 64.60 1gm1 s SER 24 CO 0.00 0.20 -0.01 0.18 0.41 0.00 0.00 173.24 174.02 1gm1 n LEU 25 N 0.62 0.50 0.00 2.44 4.77 -1.26 -1.37 117.00 122.70 1gm1 n LEU 25 Ca -0.09 0.07 0.00 0.00 -0.03 0.00 0.00 56.01 55.96 1gm1 n LEU 25 Cb 0.52 -0.16 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1gm1 n LEU 25 CO 0.44 -0.29 0.00 0.61 -1.33 0.00 0.00 177.39 176.82 1gm1 n GLY 26 N 3.14 0.86 3.10 -0.72 0.00 -1.26 -0.13 105.19 110.18 1gm1 n GLY 26 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 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 -1.61 1.90 -0.17 -0.61 -4.36 -1.26 -1.05 121.20 114.04 1gm1 s ILE 27 Ca 0.00 -0.85 0.00 0.00 -0.26 0.00 0.00 60.65 59.54 1gm1 s ILE 27 Cb 0.00 -1.72 0.00 0.00 1.25 0.00 0.00 42.46 41.99 1gm1 s ILE 27 CO 0.00 0.51 -0.15 -0.44 0.24 0.00 0.00 174.94 175.10 1gm1 s SER 28 N 1.25 3.60 0.47 4.36 0.01 -0.78 -4.99 113.70 117.62 1gm1 s SER 28 Ca 0.02 -0.50 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1gm1 s SER 28 Cb -0.13 -1.56 -0.00 0.00 0.21 0.00 0.00 66.02 64.53 1gm1 s SER 28 CO -0.10 0.06 0.32 0.68 0.41 0.00 0.00 173.24 174.61 1gm1 s VAL 29 N 0.98 2.09 0.20 3.43 -7.23 -1.26 -1.51 120.40 117.09 1gm1 s VAL 29 Ca -0.02 -1.52 -0.07 0.00 -1.81 0.00 0.00 61.98 58.55 1gm1 s VAL 29 Cb -0.15 -2.61 -0.02 0.00 0.56 0.00 0.00 36.38 34.16 1gm1 s VAL 29 CO -0.03 0.00 0.29 0.28 -0.31 0.00 0.00 175.10 175.34 1gm1 s THR 30 N -2.65 0.02 0.00 5.32 -1.32 -0.04 -4.65 115.64 112.33 1gm1 s THR 30 Ca 0.39 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.25 1gm1 s THR 30 Cb -0.01 -2.19 0.00 0.00 -1.51 0.00 0.00 72.50 68.79 1gm1 s THR 30 CO 0.23 -0.10 0.00 0.61 -2.21 0.00 0.00 174.62 173.14 1gm1 n GLY 31 N -0.29 0.07 0.00 6.08 0.00 -1.26 -0.53 105.19 109.27 1gm1 n GLY 31 Ca -0.02 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.91 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 1.78 0.66 -0.02 0.00 -0.23 -4.46 105.19 102.91 1gm1 n GLY 32 Ca 0.00 -1.97 0.02 0.00 0.00 0.00 0.00 46.02 44.07 1gm1 n GLY 32 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1gm1 n VAL 33 N 1.77 0.49 -0.05 1.61 0.24 -1.25 -3.97 118.33 117.17 1gm1 n VAL 33 Ca 0.00 -0.28 -0.05 0.00 -2.04 0.00 0.00 64.34 61.98 1gm1 n VAL 33 Cb 0.00 -0.29 -0.02 0.00 -1.47 0.00 0.00 33.84 32.06 1gm1 n VAL 33 CO 0.00 0.00 0.00 -3.20 -2.14 0.00 0.00 176.83 171.49 1gm1 n ASN 34 N 0.09 1.09 -4.85 -1.34 5.15 -1.26 -4.95 115.26 109.19 1gm1 n ASN 34 Ca 0.06 0.25 -0.32 0.00 -0.60 0.00 0.00 54.58 53.97 1gm1 n ASN 34 Cb 0.36 -0.65 -0.02 0.00 -0.53 0.00 0.00 39.78 38.94 1gm1 n ASN 34 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 1gm1 s THR 35 N -2.01 4.55 -1.22 -0.44 2.01 -1.25 -4.93 115.64 112.35 1gm1 s THR 35 Ca -0.15 1.12 -0.09 0.00 0.31 0.00 0.00 61.69 62.88 1gm1 s THR 35 Cb 0.02 -3.74 -0.07 0.00 0.01 0.00 0.00 72.50 68.72 1gm1 s THR 35 CO 0.22 -0.80 2.45 -1.54 -0.69 0.00 0.00 174.62 174.25 1gm1 n SER 36 N -1.91 6.29 -4.34 3.53 3.41 -1.26 -4.61 113.62 114.73 1gm1 n SER 36 Ca 0.06 -2.46 -0.47 0.00 -0.26 0.00 0.00 58.87 55.75 1gm1 n SER 36 Cb 0.54 -1.31 -0.02 0.00 -0.26 0.00 0.00 64.21 63.16 1gm1 n SER 36 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1gm1 s VAL 37 N 2.99 5.59 -0.88 -3.33 1.01 -1.26 -4.75 120.40 119.77 1gm1 s VAL 37 Ca 0.53 -2.49 -0.09 0.00 0.00 0.00 0.00 61.98 59.93 1gm1 s VAL 37 Cb 0.14 -4.50 0.01 0.00 0.00 0.00 0.00 36.38 32.03 1gm1 s VAL 37 CO -0.04 -1.07 0.58 0.54 0.00 0.00 0.00 175.10 175.12 1gm1 n ARG 38 N 4.03 -1.12 -0.50 2.72 3.00 -1.26 -1.36 116.66 122.18 1gm1 n ARG 38 Ca 0.15 0.51 0.00 0.00 -0.01 0.00 0.00 57.85 58.50 1gm1 n ARG 38 Cb 0.47 -2.11 0.00 0.00 0.00 0.00 0.00 32.46 30.81 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1gm1 n HIS 39 N -3.16 0.00 -0.31 -1.55 8.25 -1.26 -3.87 115.22 113.32 1gm1 n HIS 39 Ca -0.25 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.21 1gm1 n HIS 39 Cb 0.62 -0.72 0.00 0.00 1.12 0.00 0.00 29.99 31.01 1gm1 n HIS 39 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1gm1 n GLY 40 N -2.00 -0.14 3.24 -1.41 0.00 -0.46 -4.93 105.19 99.49 1gm1 n GLY 40 Ca 0.00 -0.59 -0.13 0.00 0.00 0.00 0.00 46.02 45.30 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 -0.11 1.45 -0.22 -0.02 0.00 -1.08 -4.78 107.32 102.57 1gm1 s GLY 41 Ca 0.00 -1.71 -0.08 0.00 0.00 0.00 0.00 44.72 42.93 1gm1 s GLY 41 CO 0.00 -1.47 0.09 -0.42 0.00 0.00 0.00 173.10 171.29 1gm1 s ILE 42 N -3.95 4.75 0.15 0.90 -1.09 -1.26 -1.07 121.20 119.64 1gm1 s ILE 42 Ca 0.35 -0.04 0.06 0.00 -2.23 0.00 0.00 60.65 58.79 1gm1 s ILE 42 Cb 0.07 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.73 1gm1 s ILE 42 CO 0.10 0.40 -0.13 -0.31 -1.23 0.00 0.00 174.94 173.76 1gm1 s TYR 43 N 0.91 1.48 -0.04 3.97 1.51 0.31 -1.03 117.35 124.47 1gm1 s TYR 43 Ca 0.05 -0.61 -0.30 0.00 -1.01 0.00 0.00 57.07 55.20 1gm1 s TYR 43 Cb -0.14 -0.74 -0.03 0.00 -0.11 0.00 0.00 41.96 40.94 1gm1 s TYR 43 CO 0.03 0.20 1.15 0.08 -1.11 0.00 0.00 175.55 175.90 1gm1 s VAL 44 N -2.66 4.36 -0.13 0.71 1.01 0.54 -0.86 120.40 123.38 1gm1 s VAL 44 Ca 0.15 1.68 -0.07 0.00 0.00 0.00 0.00 61.98 63.74 1gm1 s VAL 44 Cb -0.02 -4.08 -0.06 0.00 0.00 0.00 0.00 36.38 32.23 1gm1 s VAL 44 CO 0.04 0.03 -0.18 1.17 0.00 0.00 0.00 175.10 176.16 1gm1 n LYS 45 N 4.82 0.30 -3.84 2.72 4.81 -0.84 -0.67 118.16 125.45 1gm1 n LYS 45 Ca 0.10 0.13 -0.10 0.00 -0.87 0.00 0.00 58.31 57.57 1gm1 n LYS 45 Cb 0.47 -1.00 -0.08 0.00 0.02 0.00 0.00 35.03 34.44 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 -2.29 -0.32 -0.10 3.14 0.00 -0.57 -4.69 121.76 116.92 1gm1 s ALA 46 Ca -0.19 -0.41 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1gm1 s ALA 46 Cb 0.07 0.37 0.01 0.00 0.00 0.00 0.00 23.12 23.57 1gm1 s ALA 46 CO 0.25 -0.43 -0.15 -1.50 0.00 0.00 0.00 175.76 173.93 1gm1 s ILE 47 N -3.12 1.44 -0.14 0.00 1.10 -1.26 -1.86 121.20 117.37 1gm1 s ILE 47 Ca -0.01 -0.62 -0.29 0.00 -0.51 0.00 0.00 60.65 59.22 1gm1 s ILE 47 Cb 0.01 -1.32 -0.01 0.00 0.15 0.00 0.00 42.46 41.29 1gm1 s ILE 47 CO -0.07 0.43 1.15 -0.63 -2.11 0.00 0.00 174.94 173.71 1gm1 s ILE 48 N 0.94 4.46 0.13 2.00 -1.09 -0.22 -4.99 121.20 122.43 1gm1 s ILE 48 Ca -0.08 1.76 -0.33 0.00 -2.23 0.00 0.00 60.65 59.77 1gm1 s ILE 48 Cb -0.15 -4.13 -0.12 0.00 -1.58 0.00 0.00 42.46 36.47 1gm1 s ILE 48 CO -0.01 -0.08 1.71 -2.65 -1.23 0.00 0.00 174.94 172.68 1gm1 n PRO 49 N 5.86 2.44 -1.28 2.79 -0.02 -1.26 -1.95 135.00 141.58 1gm1 n PRO 49 Ca 0.12 0.88 -0.01 0.00 -2.02 0.00 0.00 63.50 62.47 1gm1 n PRO 49 Cb 0.46 -2.71 -0.00 0.00 -0.02 0.00 0.00 33.50 31.23 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 4.47 -0.05 -2.67 -0.52 5.02 -1.26 -5.07 118.16 118.08 1gm1 n LYS 50 Ca 0.18 0.39 -0.30 0.00 -2.02 0.00 0.00 58.31 56.56 1gm1 n LYS 50 Cb 0.32 -3.93 -0.02 0.00 -0.02 0.00 0.00 35.03 31.38 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 -2.99 1.84 0.15 0.72 0.00 -0.82 -4.95 107.32 101.27 1gm1 s GLY 51 Ca 0.00 -0.21 -0.25 0.00 0.00 0.00 0.00 44.72 44.26 1gm1 s GLY 51 CO 0.00 -0.01 1.59 0.00 0.00 0.00 0.00 173.10 174.68 1gm1 h ALA 52 N 0.86 -0.32 -0.11 3.20 0.00 -1.37 -0.58 119.26 120.94 1gm1 h ALA 52 Ca -0.47 0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.49 1gm1 h ALA 52 Cb 1.19 0.72 -0.00 0.00 0.00 0.00 0.00 17.79 19.70 1gm1 h ALA 52 CO 0.63 -0.79 0.03 0.00 0.00 0.00 0.00 179.25 179.12 1gm1 h ALA 53 N 0.54 0.14 -0.28 0.00 0.00 -0.83 -2.64 119.26 116.19 1gm1 h ALA 53 Ca 0.14 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 54.96 1gm1 h ALA 53 Cb 0.56 -0.04 -0.08 0.00 0.00 0.00 0.00 17.79 18.23 1gm1 h ALA 53 CO -0.48 -0.23 -0.52 1.49 0.00 0.00 0.00 179.25 179.51 1gm1 h GLU 54 N -0.02 -0.45 -0.02 0.00 4.22 -1.54 -1.51 114.58 115.25 1gm1 h GLU 54 Ca 0.03 0.03 -0.09 0.00 0.08 0.00 0.00 59.36 59.42 1gm1 h GLU 54 Cb 0.24 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.58 1gm1 h GLU 54 CO -0.00 -0.30 -0.41 1.03 -2.18 0.00 0.00 179.01 177.15 1gm1 h SER 55 N -0.47 0.04 0.73 1.04 0.87 -1.14 -3.07 113.55 111.56 1gm1 h SER 55 Ca 0.07 -0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.58 1gm1 h SER 55 Cb 0.63 -0.01 0.01 0.00 -0.44 0.00 0.00 62.40 62.59 1gm1 h SER 55 CO -0.51 0.45 -0.35 -0.78 -0.53 0.00 0.00 176.83 175.10 1gm1 h ASP 56 N 0.03 -0.83 -0.06 6.23 3.58 -1.34 -3.49 116.42 120.54 1gm1 h ASP 56 Ca -0.00 0.03 0.00 0.00 0.42 0.00 0.00 57.03 57.48 1gm1 h ASP 56 Cb 0.74 0.22 0.00 0.00 1.72 0.00 0.00 39.33 42.01 1gm1 h ASP 56 CO 0.06 -0.48 0.00 0.61 -2.88 0.00 0.00 179.24 176.55 1gm1 n GLY 57 N -0.79 1.01 0.15 -0.78 0.00 -0.58 -4.95 105.19 99.25 1gm1 n GLY 57 Ca -0.12 -0.52 -0.24 0.00 0.00 0.00 0.00 46.02 45.14 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 0.00 0.45 -6.32 1.61 2.47 -1.89 -3.43 114.38 107.27 1gm1 h ARG 58 Ca 0.00 -0.77 -0.54 0.00 -1.26 0.00 0.00 59.98 57.41 1gm1 h ARG 58 Cb 0.60 0.29 -0.08 0.00 -1.65 0.00 0.00 29.97 29.13 1gm1 h ARG 58 CO 0.00 1.37 1.09 0.42 0.56 0.00 0.00 179.97 183.41 1gm1 s ILE 59 N -2.59 3.69 0.20 2.04 1.01 -1.26 -4.99 121.20 119.31 1gm1 s ILE 59 Ca -0.13 0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.99 1gm1 s ILE 59 Cb 0.05 -4.84 -0.04 0.00 0.01 0.00 0.00 42.46 37.63 1gm1 s ILE 59 CO 0.89 -1.78 -0.20 -2.28 0.00 0.00 0.00 174.94 171.57 1gm1 s HIS 60 N 6.00 2.03 0.15 3.97 2.46 -1.26 -4.77 115.29 123.88 1gm1 s HIS 60 Ca 0.38 -0.42 -0.31 0.00 0.47 0.00 0.00 55.06 55.18 1gm1 s HIS 60 Cb -0.08 -0.97 -0.09 0.00 -0.13 0.00 0.00 32.58 31.31 1gm1 s HIS 60 CO 0.15 0.47 1.42 -1.59 -2.47 0.00 0.00 174.74 172.72 1gm1 s LYS 61 N -3.05 4.30 0.00 2.88 -2.85 -1.26 -2.42 119.74 117.34 1gm1 s LYS 61 Ca 0.21 2.16 0.00 0.00 -1.00 0.00 0.00 55.97 57.34 1gm1 s LYS 61 Cb -0.05 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.51 1gm1 s LYS 61 CO 0.09 -0.44 0.00 0.41 0.10 0.00 0.00 175.35 175.51 1gm1 n GLY 62 N 3.22 2.88 3.85 0.59 0.00 0.15 -4.98 105.19 110.90 1gm1 n GLY 62 Ca 0.11 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.81 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 -1.42 6.36 -0.12 1.61 1.01 -1.01 -4.38 116.67 118.72 1gm1 s ASP 63 Ca 0.00 1.52 -0.02 0.00 0.71 0.00 0.00 52.55 54.76 1gm1 s ASP 63 Cb 0.00 -2.49 -0.03 0.00 1.01 0.00 0.00 42.92 41.41 1gm1 s ASP 63 CO 0.00 -0.77 -0.04 -0.60 0.21 0.00 0.00 175.17 173.97 1gm1 s ARG 64 N -4.59 3.27 -0.13 8.23 3.52 -0.72 -0.34 118.95 128.20 1gm1 s ARG 64 Ca 0.57 -0.50 -0.13 0.00 -0.13 0.00 0.00 55.73 55.54 1gm1 s ARG 64 Cb -0.11 -2.80 -0.05 0.00 -1.56 0.00 0.00 34.95 30.43 1gm1 s ARG 64 CO 0.42 0.46 0.30 0.08 -0.81 0.00 0.00 175.30 175.75 1gm1 s VAL 65 N -0.24 5.28 -0.20 7.11 1.01 -0.20 -0.25 120.40 132.92 1gm1 s VAL 65 Ca 0.04 0.56 -0.18 0.00 0.00 0.00 0.00 61.98 62.40 1gm1 s VAL 65 Cb -0.13 -3.62 -0.15 0.00 0.00 0.00 0.00 36.38 32.49 1gm1 s VAL 65 CO 0.02 0.44 0.08 0.18 0.00 0.00 0.00 175.10 175.83 1gm1 n LEU 66 N 3.12 1.85 -3.73 3.92 7.99 -0.14 -4.53 117.00 125.49 1gm1 n LEU 66 Ca -0.13 0.46 -0.13 0.00 -0.01 0.00 0.00 56.01 56.20 1gm1 n LEU 66 Cb 0.52 -0.93 -0.10 0.00 -0.11 0.00 0.00 43.42 42.80 1gm1 n LEU 66 CO 0.38 0.12 0.11 0.00 -1.51 0.00 0.00 177.39 176.49 1gm1 s ALA 67 N -2.46 -1.06 -0.25 -1.18 0.00 -0.94 -1.32 121.76 114.54 1gm1 s ALA 67 Ca -0.26 1.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.85 1gm1 s ALA 67 Cb 0.06 -0.70 -0.01 0.00 0.00 0.00 0.00 23.12 22.47 1gm1 s ALA 67 CO 0.50 -0.20 0.03 0.08 0.00 0.00 0.00 175.76 176.16 1gm1 s VAL 68 N 0.21 3.82 -1.84 0.00 1.01 -0.61 -1.36 120.40 121.62 1gm1 s VAL 68 Ca -0.00 -0.48 0.00 0.00 0.00 0.00 0.00 61.98 61.50 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 0.01 0.28 0.00 -3.20 0.00 0.00 0.00 175.10 172.19 1gm1 n ASN 69 N 4.85 -5.13 0.00 3.32 2.85 0.88 -0.95 115.26 121.07 1gm1 n ASN 69 Ca -0.16 0.40 0.00 0.00 -0.11 0.00 0.00 54.58 54.70 1gm1 n ASN 69 Cb 0.50 -4.19 0.00 0.00 1.24 0.00 0.00 39.78 37.33 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 -0.82 0.90 3.62 8.20 0.00 -1.26 -5.03 105.19 110.79 1gm1 n GLY 70 Ca -0.18 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.42 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 -3.31 4.79 0.10 1.61 1.01 -0.13 -5.00 120.40 119.46 1gm1 s VAL 71 Ca 0.00 1.27 -0.30 0.00 0.00 0.00 0.00 61.98 62.95 1gm1 s VAL 71 Cb 0.00 -4.15 -0.06 0.00 0.00 0.00 0.00 36.38 32.17 1gm1 s VAL 71 CO 0.00 -0.23 1.12 -0.94 0.00 0.00 0.00 175.10 175.05 1gm1 s SER 72 N 1.58 7.20 0.10 3.32 1.04 -1.26 -1.57 113.70 124.11 1gm1 s SER 72 Ca 0.33 1.99 0.26 0.00 0.48 0.00 0.00 55.95 59.01 1gm1 s SER 72 Cb -0.14 -2.59 0.66 0.00 0.10 0.00 0.00 66.02 64.05 1gm1 s SER 72 CO 0.12 -0.34 1.57 0.18 0.98 0.00 0.00 173.24 175.76 1gm1 n LEU 73 N 3.29 0.58 -4.73 2.42 4.77 -0.43 -4.79 117.00 118.11 1gm1 n LEU 73 Ca 0.06 0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.96 1gm1 n LEU 73 Cb 0.47 -0.29 -0.03 0.00 -2.33 0.00 0.00 43.42 41.24 1gm1 n LEU 73 CO 0.54 -0.05 1.22 -1.61 -1.33 0.00 0.00 177.39 176.16 1gm1 s GLU 74 N -3.09 4.21 0.00 3.23 8.01 -1.26 -1.74 118.70 128.05 1gm1 s GLU 74 Ca 0.10 2.40 0.00 0.00 0.01 0.00 0.00 54.97 57.48 1gm1 s GLU 74 Cb 0.15 -3.12 0.00 0.00 -4.31 0.00 0.00 34.13 26.85 1gm1 s GLU 74 CO 0.65 -0.58 0.00 0.41 0.01 0.00 0.00 175.26 175.74 1gm1 n GLY 75 N 3.24 2.93 3.78 -1.39 0.00 -1.26 -5.05 105.19 107.43 1gm1 n GLY 75 Ca 0.12 -0.03 -0.32 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.52 2.49 0.70 4.61 0.00 -0.71 -4.91 121.76 121.42 1gm1 s ALA 76 Ca 0.00 0.39 -0.04 0.00 0.00 0.00 0.00 51.96 52.30 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 -1.31 0.98 0.95 0.00 0.00 0.00 175.76 176.38 1gm1 s THR 77 N -2.59 2.30 0.15 0.00 -4.23 -1.26 -3.83 115.64 106.18 1gm1 s THR 77 Ca 0.64 -0.41 -0.13 0.00 -1.18 0.00 0.00 61.69 60.60 1gm1 s THR 77 Cb -0.18 -2.89 0.04 0.00 1.34 0.00 0.00 72.50 70.80 1gm1 s THR 77 CO 0.46 0.00 1.69 -0.74 -0.54 0.00 0.00 174.62 175.49 1gm1 h HIS 78 N -0.53 0.81 -0.64 3.99 2.76 -1.91 -2.81 115.15 116.82 1gm1 h HIS 78 Ca -0.42 -0.08 0.09 0.00 -2.20 0.00 0.00 60.37 57.76 1gm1 h HIS 78 Cb 1.29 -0.24 -0.07 0.00 1.55 0.00 0.00 27.41 29.95 1gm1 h HIS 78 CO 0.07 0.69 0.29 -0.22 -1.30 0.00 0.00 177.93 177.47 1gm1 h LYS 79 N 0.69 0.51 0.21 5.26 1.63 -1.95 -1.97 116.57 120.96 1gm1 h LYS 79 Ca 0.17 -0.03 0.01 0.00 -0.85 0.00 0.00 60.65 59.94 1gm1 h LYS 79 Cb 0.25 -0.11 -0.03 0.00 -0.60 0.00 0.00 32.23 31.74 1gm1 h LYS 79 CO -0.01 0.33 -0.28 1.96 -3.45 0.00 0.00 179.45 178.00 1gm1 h GLN 80 N 0.52 -0.53 -0.40 1.90 1.08 -1.90 -1.58 115.11 114.20 1gm1 h GLN 80 Ca 0.31 0.04 -0.04 0.00 -1.45 0.00 0.00 58.65 57.52 1gm1 h GLN 80 Cb 0.33 0.12 -0.02 0.00 -0.05 0.00 0.00 27.48 27.86 1gm1 h GLN 80 CO -0.26 -0.36 0.10 0.00 -0.95 0.00 0.00 178.83 177.36 1gm1 h ALA 81 N 0.09 1.42 0.31 3.87 0.00 -1.37 0.84 119.26 124.42 1gm1 h ALA 81 Ca 0.01 -0.16 -0.02 0.00 0.00 0.00 0.00 54.91 54.74 1gm1 h ALA 81 Cb 0.54 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.16 1gm1 h ALA 81 CO -0.10 0.42 -0.15 0.28 0.00 0.00 0.00 179.25 179.70 1gm1 h VAL 82 N 0.58 0.71 -0.84 0.00 2.07 -1.22 0.13 116.25 117.68 1gm1 h VAL 82 Ca 0.13 -0.33 -0.02 0.00 0.82 0.00 0.00 66.70 67.30 1gm1 h VAL 82 Cb 0.22 0.89 -0.04 0.00 -1.52 0.00 0.00 31.29 30.85 1gm1 h VAL 82 CO -0.00 0.07 0.43 -0.33 0.02 0.00 0.00 177.57 177.76 1gm1 h GLU 83 N -0.60 1.18 -0.44 1.57 4.39 -1.10 -0.51 114.58 119.07 1gm1 h GLU 83 Ca -0.04 -0.15 -0.08 0.00 0.34 0.00 0.00 59.36 59.42 1gm1 h GLU 83 Cb 0.44 -0.22 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 1gm1 h GLU 83 CO 0.07 0.89 -0.05 1.15 -1.16 0.00 0.00 179.01 179.90 1gm1 h THR 84 N 1.18 1.27 -0.28 1.13 2.02 -0.78 0.64 112.91 118.09 1gm1 h THR 84 Ca 0.29 -1.13 -0.14 0.00 0.77 0.00 0.00 66.41 66.20 1gm1 h THR 84 Cb 0.07 1.12 -0.01 0.00 -1.74 0.00 0.00 68.15 67.59 1gm1 h THR 84 CO -0.04 0.39 -0.40 -0.07 0.37 0.00 0.00 175.52 175.77 1gm1 h LEU 85 N 0.64 0.70 0.36 2.58 3.38 -0.78 -3.24 115.31 118.95 1gm1 h LEU 85 Ca 0.12 -0.31 -0.02 0.00 0.09 0.00 0.00 57.88 57.76 1gm1 h LEU 85 Cb 0.57 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.13 1gm1 h LEU 85 CO 0.03 1.02 -0.17 0.03 0.09 0.00 0.00 178.44 179.44 1gm1 h ARG 86 N 0.55 -0.46 -1.96 1.13 -0.00 -0.93 -3.22 114.38 109.48 1gm1 h ARG 86 Ca 0.05 0.03 -0.09 0.00 -0.50 0.00 0.00 59.98 59.47 1gm1 h ARG 86 Cb 0.92 0.11 -0.04 0.00 0.00 0.00 0.00 29.97 30.96 1gm1 h ARG 86 CO 0.08 -0.30 -0.06 -1.71 0.00 0.00 0.00 179.97 177.98 1gm1 n ASN 87 N -5.29 5.44 -4.91 7.04 5.15 0.20 -4.82 115.26 118.07 1gm1 n ASN 87 Ca -0.11 -2.50 -0.28 0.00 -0.60 0.00 0.00 54.58 51.09 1gm1 n ASN 87 Cb 0.21 -1.21 -0.03 0.00 -0.53 0.00 0.00 39.78 38.23 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 0.03 5.01 0.00 -0.44 -4.23 -1.22 -4.95 115.64 109.84 1gm1 s THR 88 Ca 0.23 0.06 0.00 0.00 -1.18 0.00 0.00 61.69 60.80 1gm1 s THR 88 Cb 0.12 -3.75 0.00 0.00 1.34 0.00 0.00 72.50 70.21 1gm1 s THR 88 CO -0.01 -0.38 0.00 0.61 -0.54 0.00 0.00 174.62 174.30 1gm1 n GLY 89 N -1.10 1.29 0.13 3.99 0.00 -1.26 -5.00 105.19 103.24 1gm1 n GLY 89 Ca -0.02 -1.51 -0.12 0.00 0.00 0.00 0.00 46.02 44.37 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 -0.21 -5.61 1.61 -0.00 -1.98 -3.43 115.11 105.49 1gm1 h GLN 90 Ca 0.00 0.01 -0.63 0.00 -0.00 0.00 0.00 58.65 58.04 1gm1 h GLN 90 Cb 0.00 0.05 -0.08 0.00 0.00 0.00 0.00 27.48 27.44 1gm1 h GLN 90 CO 0.00 0.22 -0.40 0.08 0.00 0.00 0.00 178.83 178.74 1gm1 s VAL 91 N -3.84 5.36 -0.25 2.39 1.01 -1.26 -1.54 120.40 122.26 1gm1 s VAL 91 Ca -0.14 0.40 -0.04 0.00 0.00 0.00 0.00 61.98 62.20 1gm1 s VAL 91 Cb 0.01 -3.52 0.00 0.00 0.00 0.00 0.00 36.38 32.87 1gm1 s VAL 91 CO 0.53 0.53 -0.01 -0.69 0.00 0.00 0.00 175.10 175.46 1gm1 s VAL 92 N -0.44 3.46 -0.44 2.92 1.01 0.20 -4.98 120.40 122.14 1gm1 s VAL 92 Ca 0.16 -0.64 -0.11 0.00 0.00 0.00 0.00 61.98 61.39 1gm1 s VAL 92 Cb -0.13 -2.67 0.08 0.00 0.00 0.00 0.00 36.38 33.66 1gm1 s VAL 92 CO 0.05 0.28 0.30 -1.00 0.00 0.00 0.00 175.10 174.73 1gm1 s HIS 93 N 1.46 3.33 0.31 5.22 3.76 -1.26 -1.21 115.29 126.90 1gm1 s HIS 93 Ca 0.04 -1.43 0.07 0.00 -0.15 0.00 0.00 55.06 53.59 1gm1 s HIS 93 Cb -0.16 -3.06 -0.03 0.00 1.11 0.00 0.00 32.58 30.44 1gm1 s HIS 93 CO -0.02 -0.85 0.25 -0.51 -0.85 0.00 0.00 174.74 172.76 1gm1 s LEU 94 N 1.47 3.61 -0.04 0.89 1.43 0.26 -0.08 118.68 126.21 1gm1 s LEU 94 Ca 0.03 -0.47 0.03 0.00 -1.03 0.00 0.00 54.13 52.70 1gm1 s LEU 94 Cb -0.24 -2.19 0.00 0.00 0.03 0.00 0.00 46.19 43.79 1gm1 s LEU 94 CO 0.03 -0.27 -0.14 -0.22 0.23 0.00 0.00 176.35 175.98 1gm1 s LEU 95 N -3.94 1.82 0.15 1.79 2.96 -0.47 -1.73 118.68 119.27 1gm1 s LEU 95 Ca 0.39 -0.30 -0.06 0.00 -0.22 0.00 0.00 54.13 53.93 1gm1 s LEU 95 Cb -0.06 -0.83 -0.02 0.00 0.50 0.00 0.00 46.19 45.78 1gm1 s LEU 95 CO 0.26 0.10 0.21 -1.48 -1.32 0.00 0.00 176.35 174.11 1gm1 s LEU 96 N 0.23 1.25 0.12 -0.68 0.05 -0.68 -0.97 118.68 118.01 1gm1 s LEU 96 Ca -0.06 -0.96 0.10 0.00 0.05 0.00 0.00 54.13 53.26 1gm1 s LEU 96 Cb -0.12 0.90 -0.04 0.00 -2.05 0.00 0.00 46.19 44.89 1gm1 s LEU 96 CO 0.02 -0.83 -0.25 -0.70 -0.55 0.00 0.00 176.35 174.04 1gm1 s GLU 97 N -3.98 1.34 -0.12 1.48 2.12 0.65 -0.99 118.70 119.20 1gm1 s GLU 97 Ca 0.18 -1.29 -0.29 0.00 0.36 0.00 0.00 54.97 53.93 1gm1 s GLU 97 Cb 0.05 -1.76 -0.02 0.00 0.26 0.00 0.00 34.13 32.65 1gm1 s GLU 97 CO -0.00 0.42 1.31 0.21 -0.54 0.00 0.00 175.26 176.65 1gm1 s LYS 98 N -1.98 4.25 0.89 4.30 2.47 0.31 -1.75 119.74 128.24 1gm1 s LYS 98 Ca 0.12 1.75 -0.15 0.00 -1.56 0.00 0.00 55.97 56.12 1gm1 s LYS 98 Cb -0.10 -3.74 0.21 0.00 -1.46 0.00 0.00 37.83 32.74 1gm1 s LYS 98 CO 0.05 -0.67 1.04 0.41 0.16 0.00 0.00 175.35 176.35 1gm1 n GLY 99 N 3.63 -1.90 3.94 5.54 0.00 -1.26 -2.69 105.19 112.45 1gm1 n GLY 99 Ca 0.14 -1.63 -0.29 0.00 0.00 0.00 0.00 46.02 44.24 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 -5.30 0.67 -0.38 1.61 -2.07 -1.26 -4.71 119.66 108.21 1gm1 s GLN 100 Ca 0.62 -0.56 -0.03 0.00 -1.82 0.00 0.00 55.36 53.57 1gm1 s GLN 100 Cb -0.03 -1.90 0.09 0.00 -1.09 0.00 0.00 33.01 30.08 1gm1 s GLN 100 CO 0.45 -2.35 0.16 0.08 -1.32 0.00 0.00 175.29 172.30 1gm1 s VAL 101 N -3.81 3.25 -2.00 3.63 1.01 -1.26 -5.01 120.40 116.21 1gm1 s VAL 101 Ca 0.74 -1.87 0.22 0.00 0.00 0.00 0.00 61.98 61.07 1gm1 s VAL 101 Cb -0.03 -3.14 0.63 0.00 0.00 0.00 0.00 36.38 33.83 1gm1 s VAL 101 CO 0.52 -0.55 1.70 -0.81 0.00 0.00 0.00 175.10 175.96