#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 0.10 0.00 1.97 0.04 -1.26 -4.55 135.00 131.30 1gm1 s PRO 10 Ca 0.00 -0.38 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1gm1 s PRO 10 Cb 0.00 -1.78 0.00 0.00 0.04 0.00 0.00 34.50 32.76 1gm1 s PRO 10 CO 0.00 -2.78 0.00 0.41 0.04 0.00 0.00 177.00 174.67 1gm1 n GLY 11 N -3.17 3.27 3.77 0.56 0.00 -0.42 -4.93 105.19 104.27 1gm1 n GLY 11 Ca 0.15 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.79 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 -0.51 7.18 0.00 1.61 2.15 -1.26 -4.70 116.67 121.15 1gm1 s ASP 12 Ca 0.00 2.02 -0.01 0.00 0.43 0.00 0.00 52.55 54.99 1gm1 s ASP 12 Cb 0.00 -2.60 -0.04 0.00 -0.30 0.00 0.00 42.92 39.98 1gm1 s ASP 12 CO 0.00 -0.19 0.11 0.42 -0.17 0.00 0.00 175.17 175.34 1gm1 s THR 13 N -1.46 4.87 -0.06 1.71 -4.23 -1.26 -0.32 115.64 114.89 1gm1 s THR 13 Ca 0.50 -0.39 -0.12 0.00 -1.18 0.00 0.00 61.69 60.50 1gm1 s THR 13 Cb -0.24 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.37 1gm1 s THR 13 CO 0.30 0.32 0.28 0.72 -0.54 0.00 0.00 174.62 175.70 1gm1 s PHE 14 N -1.25 -0.23 0.18 3.99 -0.12 -0.84 -5.00 117.98 114.71 1gm1 s PHE 14 Ca 0.25 0.48 -0.14 0.00 -0.05 0.00 0.00 56.93 57.47 1gm1 s PHE 14 Cb -0.12 0.09 -0.07 0.00 -0.63 0.00 0.00 43.02 42.28 1gm1 s PHE 14 CO 0.16 -0.26 0.57 -1.21 -0.05 0.00 0.00 175.22 174.43 1gm1 s GLU 15 N -0.59 3.97 -0.30 1.99 2.02 -1.26 -2.00 118.70 122.52 1gm1 s GLU 15 Ca -0.07 0.49 0.02 0.00 0.02 0.00 0.00 54.97 55.42 1gm1 s GLU 15 Cb -0.04 -2.85 0.09 0.00 0.10 0.00 0.00 34.13 31.43 1gm1 s GLU 15 CO 0.02 0.42 0.04 0.08 0.02 0.00 0.00 175.26 175.84 1gm1 s VAL 16 N -1.57 1.68 -0.60 2.63 1.01 0.38 -4.99 120.40 118.95 1gm1 s VAL 16 Ca 0.41 -1.79 -0.18 0.00 0.00 0.00 0.00 61.98 60.42 1gm1 s VAL 16 Cb -0.14 -2.17 0.12 0.00 0.00 0.00 0.00 36.38 34.19 1gm1 s VAL 16 CO 0.20 -0.49 0.67 -1.61 0.00 0.00 0.00 175.10 173.86 1gm1 s GLU 17 N 1.23 3.08 -0.03 2.72 2.02 -1.26 -0.45 118.70 126.02 1gm1 s GLU 17 Ca 0.06 -1.50 0.06 0.00 0.02 0.00 0.00 54.97 53.62 1gm1 s GLU 17 Cb -0.18 -4.31 -0.01 0.00 0.10 0.00 0.00 34.13 29.73 1gm1 s GLU 17 CO -0.13 -1.48 -0.21 -1.17 0.02 0.00 0.00 175.26 172.29 1gm1 s LEU 18 N 2.28 2.02 -0.16 1.80 2.96 0.14 -4.95 118.68 122.77 1gm1 s LEU 18 Ca 0.10 -0.40 -0.08 0.00 -0.22 0.00 0.00 54.13 53.54 1gm1 s LEU 18 Cb -0.24 -1.12 -0.04 0.00 0.50 0.00 0.00 46.19 45.28 1gm1 s LEU 18 CO 0.04 0.24 0.10 0.00 -1.32 0.00 0.00 176.35 175.41 1gm1 s ALA 19 N -0.36 3.62 0.67 5.97 0.00 -1.26 0.59 121.76 130.98 1gm1 s ALA 19 Ca 0.04 -0.70 -0.16 0.00 0.00 0.00 0.00 51.96 51.14 1gm1 s ALA 19 Cb -0.10 -1.97 0.01 0.00 0.00 0.00 0.00 23.12 21.06 1gm1 s ALA 19 CO 0.00 0.34 1.17 0.15 0.00 0.00 0.00 175.76 177.43 1gm1 s LYS 20 N -0.16 2.59 -0.21 0.00 1.02 -0.63 -4.87 119.74 117.48 1gm1 s LYS 20 Ca 0.09 1.65 0.02 0.00 0.02 0.00 0.00 55.97 57.74 1gm1 s LYS 20 Cb -0.12 -1.90 0.03 0.00 -0.52 0.00 0.00 37.83 35.33 1gm1 s LYS 20 CO 0.01 -1.46 -0.17 0.95 -0.92 0.00 0.00 175.35 173.76 1gm1 s THR 21 N -2.00 2.12 -1.28 2.17 -4.23 -1.10 -4.77 115.64 106.54 1gm1 s THR 21 Ca 0.73 -1.18 -0.01 0.00 -1.18 0.00 0.00 61.69 60.04 1gm1 s THR 21 Cb -0.26 -2.02 0.01 0.00 1.34 0.00 0.00 72.50 71.56 1gm1 s THR 21 CO 0.40 0.34 0.88 -0.67 -0.54 0.00 0.00 174.62 175.03 1gm1 n ASP 22 N 4.56 -2.11 0.00 3.99 -0.08 -1.26 -2.42 116.55 119.23 1gm1 n ASP 22 Ca -0.18 -0.71 0.00 0.00 -1.51 0.00 0.00 54.79 52.38 1gm1 n ASP 22 Cb 0.47 -4.59 0.00 0.00 2.34 0.00 0.00 41.12 39.35 1gm1 n ASP 22 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1gm1 n GLY 23 N -1.42 2.00 3.37 0.27 0.00 -1.26 -4.97 105.19 103.18 1gm1 n GLY 23 Ca -0.26 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.49 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 -3.40 3.14 -0.12 1.61 0.01 -1.02 -5.07 113.70 108.85 1gm1 s SER 24 Ca 0.00 -0.74 -0.11 0.00 1.31 0.00 0.00 55.95 56.40 1gm1 s SER 24 Cb 0.00 -0.20 -0.04 0.00 0.21 0.00 0.00 66.02 65.99 1gm1 s SER 24 CO 0.00 0.15 -0.22 0.18 0.41 0.00 0.00 173.24 173.76 1gm1 n LEU 25 N 0.92 1.39 0.00 2.44 4.77 -1.26 -2.72 117.00 122.53 1gm1 n LEU 25 Ca -0.18 0.33 0.00 0.00 -0.03 0.00 0.00 56.01 56.13 1gm1 n LEU 25 Cb 0.53 -0.70 0.00 0.00 -2.33 0.00 0.00 43.42 40.92 1gm1 n LEU 25 CO 0.23 -0.38 0.00 0.61 -1.33 0.00 0.00 177.39 176.53 1gm1 n GLY 26 N 1.52 0.95 3.18 -0.72 0.00 -1.26 -0.30 105.19 108.56 1gm1 n GLY 26 Ca -0.09 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.81 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 -0.59 0.07 -0.07 -0.61 2.07 -1.26 -1.11 121.20 119.70 1gm1 s ILE 27 Ca 0.00 -0.59 0.04 0.00 -1.41 0.00 0.00 60.65 58.69 1gm1 s ILE 27 Cb 0.00 -0.57 -0.00 0.00 0.13 0.00 0.00 42.46 42.02 1gm1 s ILE 27 CO 0.00 -0.33 -0.19 -0.55 -1.91 0.00 0.00 174.94 171.96 1gm1 s SER 28 N -1.42 2.50 0.31 4.50 0.15 -0.40 -4.93 113.70 114.41 1gm1 s SER 28 Ca -0.13 -0.43 0.07 0.00 0.70 0.00 0.00 55.95 56.16 1gm1 s SER 28 Cb -0.06 -0.91 -0.02 0.00 -1.71 0.00 0.00 66.02 63.32 1gm1 s SER 28 CO 0.03 0.15 0.37 0.68 1.20 0.00 0.00 173.24 175.66 1gm1 s VAL 29 N 0.22 4.12 0.23 4.45 -7.23 -1.26 -0.25 120.40 120.68 1gm1 s VAL 29 Ca -0.10 -1.16 -0.09 0.00 -1.81 0.00 0.00 61.98 58.82 1gm1 s VAL 29 Cb -0.15 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.37 1gm1 s VAL 29 CO 0.05 -0.21 0.35 0.28 -0.31 0.00 0.00 175.10 175.26 1gm1 s THR 30 N -2.18 0.00 0.00 5.32 -1.32 0.15 -4.60 115.64 113.00 1gm1 s THR 30 Ca 0.41 -1.62 0.00 0.00 -1.21 0.00 0.00 61.69 59.26 1gm1 s THR 30 Cb -0.08 -2.31 0.00 0.00 -1.51 0.00 0.00 72.50 68.60 1gm1 s THR 30 CO 0.29 -0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.30 1gm1 n GLY 31 N -0.34 1.02 0.43 6.08 0.00 -1.26 -0.65 105.19 110.47 1gm1 n GLY 31 Ca -0.00 -1.63 0.00 0.00 0.00 0.00 0.00 46.02 44.39 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 -3.35 0.27 -0.02 0.00 0.42 -4.62 105.19 97.89 1gm1 n GLY 32 Ca 0.00 -1.96 0.14 0.00 0.00 0.00 0.00 46.02 44.19 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 0.49 -0.62 1.61 -1.51 -1.81 -2.88 116.25 111.54 1gm1 h VAL 33 Ca 0.00 -0.51 0.00 0.00 -1.23 0.00 0.00 66.70 64.96 1gm1 h VAL 33 Cb 0.00 1.34 0.00 0.00 -2.13 0.00 0.00 31.29 30.50 1gm1 h VAL 33 CO 0.00 0.10 0.00 -3.20 -1.23 0.00 0.00 177.57 173.24 1gm1 n ASN 34 N -3.56 4.87 -4.58 4.19 5.15 -1.26 -4.76 115.26 115.31 1gm1 n ASN 34 Ca -0.02 -2.54 -0.24 0.00 -0.60 0.00 0.00 54.58 51.18 1gm1 n ASN 34 Cb 0.24 -0.60 -0.08 0.00 -0.53 0.00 0.00 39.78 38.80 1gm1 n ASN 34 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1gm1 s THR 35 N -2.05 3.12 -1.26 -0.44 -4.23 -1.09 -5.06 115.64 104.65 1gm1 s THR 35 Ca 0.51 -2.01 -0.05 0.00 -1.18 0.00 0.00 61.69 58.96 1gm1 s THR 35 Cb 0.34 -2.64 0.17 0.00 1.34 0.00 0.00 72.50 71.71 1gm1 s THR 35 CO 0.22 -0.33 2.24 -0.24 -0.54 0.00 0.00 174.62 175.97 1gm1 n SER 36 N -0.64 7.81 -0.60 3.99 2.88 -1.26 -4.52 113.62 121.28 1gm1 n SER 36 Ca -0.07 -3.26 0.12 0.00 -1.33 0.00 0.00 58.87 54.33 1gm1 n SER 36 Cb 0.59 -1.32 0.14 0.00 -0.75 0.00 0.00 64.21 62.86 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -1.23 0.00 0.00 175.04 175.14 1gm1 n VAL 37 N 1.39 0.00 -0.42 2.46 0.24 -1.26 -5.03 118.33 115.71 1gm1 n VAL 37 Ca 0.58 -0.31 0.00 0.00 -2.04 0.00 0.00 64.34 62.57 1gm1 n VAL 37 Cb 0.25 1.12 0.00 0.00 -1.47 0.00 0.00 33.84 33.75 1gm1 n VAL 37 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 1gm1 n ARG 38 N 0.33 0.00 0.00 7.34 3.00 -1.26 -4.81 116.66 121.26 1gm1 n ARG 38 Ca 0.12 0.39 0.00 0.00 -0.01 0.00 0.00 57.85 58.36 1gm1 n ARG 38 Cb 0.48 -0.03 0.00 0.00 0.00 0.00 0.00 32.46 32.91 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 0.63 0.00 0.00 -1.55 8.25 -1.26 -4.27 115.22 117.02 1gm1 n HIS 39 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.46 1gm1 n HIS 39 Cb 0.00 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.11 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 0.00 1.65 3.19 -1.41 0.00 -1.26 -4.72 105.19 102.65 1gm1 n GLY 40 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 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 0.00 0.93 -0.14 -0.02 0.00 -1.25 -4.26 107.32 102.59 1gm1 s GLY 41 Ca 0.00 -1.00 -0.16 0.00 0.00 0.00 0.00 44.72 43.56 1gm1 s GLY 41 CO 0.00 -0.99 0.39 -0.42 0.00 0.00 0.00 173.10 172.07 1gm1 s ILE 42 N -1.08 5.24 0.25 0.90 -1.09 -1.26 -0.44 121.20 123.72 1gm1 s ILE 42 Ca 0.01 0.76 0.07 0.00 -2.23 0.00 0.00 60.65 59.26 1gm1 s ILE 42 Cb -0.09 -3.73 -0.05 0.00 -1.58 0.00 0.00 42.46 37.01 1gm1 s ILE 42 CO 0.02 0.36 -0.09 -0.31 -1.23 0.00 0.00 174.94 173.70 1gm1 s TYR 43 N 0.51 1.83 -0.04 3.97 2.02 0.18 -1.18 117.35 124.65 1gm1 s TYR 43 Ca 0.21 -0.67 -0.30 0.00 -0.37 0.00 0.00 57.07 55.95 1gm1 s TYR 43 Cb -0.14 -0.98 -0.03 0.00 -0.40 0.00 0.00 41.96 40.41 1gm1 s TYR 43 CO 0.07 0.29 1.14 0.08 -1.57 0.00 0.00 175.55 175.55 1gm1 s VAL 44 N -3.03 4.40 -0.21 0.71 1.01 -0.45 -0.68 120.40 122.15 1gm1 s VAL 44 Ca 0.27 1.71 -0.18 0.00 0.00 0.00 0.00 61.98 63.78 1gm1 s VAL 44 Cb 0.02 -4.10 -0.15 0.00 0.00 0.00 0.00 36.38 32.16 1gm1 s VAL 44 CO 0.10 0.04 0.03 1.17 0.00 0.00 0.00 175.10 176.44 1gm1 n LYS 45 N 4.81 0.55 -3.74 2.72 4.81 0.65 -1.28 118.16 126.70 1gm1 n LYS 45 Ca 0.10 0.51 -0.11 0.00 -0.87 0.00 0.00 58.31 57.93 1gm1 n LYS 45 Cb 0.47 -1.69 -0.07 0.00 0.02 0.00 0.00 35.03 33.77 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 -2.47 -0.73 -0.17 3.14 0.00 -0.96 -4.77 121.76 115.81 1gm1 s ALA 46 Ca -0.28 0.01 -0.00 0.00 0.00 0.00 0.00 51.96 51.69 1gm1 s ALA 46 Cb 0.07 0.36 0.00 0.00 0.00 0.00 0.00 23.12 23.55 1gm1 s ALA 46 CO 0.51 -0.44 -0.15 -1.50 0.00 0.00 0.00 175.76 174.17 1gm1 s ILE 47 N -2.72 2.61 -0.16 0.00 1.10 -1.26 -1.28 121.20 119.49 1gm1 s ILE 47 Ca -0.04 -0.78 -0.29 0.00 -0.51 0.00 0.00 60.65 59.03 1gm1 s ILE 47 Cb -0.00 -2.11 -0.01 0.00 0.15 0.00 0.00 42.46 40.49 1gm1 s ILE 47 CO -0.04 0.51 1.13 -0.63 -2.11 0.00 0.00 174.94 173.80 1gm1 s ILE 48 N 1.00 4.50 0.23 2.00 -1.09 -0.26 -4.98 121.20 122.60 1gm1 s ILE 48 Ca -0.02 1.81 -0.32 0.00 -2.23 0.00 0.00 60.65 59.89 1gm1 s ILE 48 Cb -0.15 -4.16 -0.12 0.00 -1.58 0.00 0.00 42.46 36.45 1gm1 s ILE 48 CO -0.03 -0.10 1.67 -2.65 -1.23 0.00 0.00 174.94 172.59 1gm1 n PRO 49 N 5.98 2.67 -1.06 2.79 -0.02 -1.26 -1.98 135.00 142.13 1gm1 n PRO 49 Ca 0.12 0.96 -0.02 0.00 -2.02 0.00 0.00 63.50 62.54 1gm1 n PRO 49 Cb 0.46 -2.78 -0.01 0.00 -0.02 0.00 0.00 33.50 31.16 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 3.37 -0.21 -2.00 -0.52 5.02 -1.26 -5.05 118.16 117.51 1gm1 n LYS 50 Ca 0.14 0.45 -0.31 0.00 -2.02 0.00 0.00 58.31 56.57 1gm1 n LYS 50 Cb 0.35 -3.96 0.00 0.00 -0.02 0.00 0.00 35.03 31.40 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 -2.71 1.75 0.12 0.72 0.00 -0.84 -4.92 107.32 101.43 1gm1 s GLY 51 Ca 0.00 -0.04 -0.33 0.00 0.00 0.00 0.00 44.72 44.35 1gm1 s GLY 51 CO 0.00 0.23 1.56 0.00 0.00 0.00 0.00 173.10 174.89 1gm1 h ALA 52 N -0.04 -0.87 -0.17 3.20 0.00 -1.28 -1.13 119.26 118.97 1gm1 h ALA 52 Ca -0.45 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1gm1 h ALA 52 Cb 1.19 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 19.90 1gm1 h ALA 52 CO 0.62 -1.08 0.08 0.00 0.00 0.00 0.00 179.25 178.87 1gm1 h ALA 53 N -0.30 0.22 -0.21 0.00 0.00 -0.96 -2.89 119.26 115.13 1gm1 h ALA 53 Ca 0.03 -0.08 0.02 0.00 0.00 0.00 0.00 54.91 54.88 1gm1 h ALA 53 Cb 0.70 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.39 1gm1 h ALA 53 CO -0.38 -0.22 -0.23 1.49 0.00 0.00 0.00 179.25 179.92 1gm1 h GLU 54 N 0.14 -0.12 0.00 0.00 4.22 -1.69 -3.13 114.58 114.00 1gm1 h GLU 54 Ca 0.06 0.01 -0.02 0.00 0.08 0.00 0.00 59.36 59.49 1gm1 h GLU 54 Cb 0.13 0.03 -0.00 0.00 0.50 0.00 0.00 28.75 29.40 1gm1 h GLU 54 CO -0.01 -0.08 -0.10 1.03 -2.18 0.00 0.00 179.01 177.67 1gm1 h SER 55 N -0.13 0.00 -0.05 1.04 0.87 -1.20 -3.10 113.55 110.98 1gm1 h SER 55 Ca 0.04 0.00 0.04 0.00 -1.23 0.00 0.00 61.79 60.63 1gm1 h SER 55 Cb 0.22 0.00 -0.05 0.00 -0.44 0.00 0.00 62.40 62.14 1gm1 h SER 55 CO -0.27 0.10 -0.21 -0.78 -0.53 0.00 0.00 176.83 175.14 1gm1 h ASP 56 N 0.00 -0.64 0.00 6.23 3.58 -1.45 -3.47 116.42 120.67 1gm1 h ASP 56 Ca -0.00 0.10 0.00 0.00 0.42 0.00 0.00 57.03 57.55 1gm1 h ASP 56 Cb 0.24 0.28 0.00 0.00 1.72 0.00 0.00 39.33 41.57 1gm1 h ASP 56 CO 0.01 -0.27 0.00 0.61 -2.88 0.00 0.00 179.24 176.71 1gm1 n GLY 57 N -1.34 0.25 0.17 -0.78 0.00 -1.17 -4.92 105.19 97.40 1gm1 n GLY 57 Ca -0.04 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.86 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 3.67 0.52 -5.81 1.61 3.08 -1.88 -3.44 114.38 112.14 1gm1 h ARG 58 Ca 0.00 -0.22 -0.58 0.00 0.07 0.00 0.00 59.98 59.25 1gm1 h ARG 58 Cb 0.00 -0.02 -0.07 0.00 0.08 0.00 0.00 29.97 29.96 1gm1 h ARG 58 CO 0.00 0.77 -0.13 0.42 -1.07 0.00 0.00 179.97 179.96 1gm1 s ILE 59 N -4.64 5.14 0.36 2.04 1.01 -1.26 -5.05 121.20 118.79 1gm1 s ILE 59 Ca -0.13 0.98 -0.02 0.00 0.00 0.00 0.00 60.65 61.48 1gm1 s ILE 59 Cb 0.07 -3.82 0.01 0.00 0.01 0.00 0.00 42.46 38.73 1gm1 s ILE 59 CO 0.78 0.36 0.49 -1.00 0.00 0.00 0.00 174.94 175.57 1gm1 s HIS 60 N 0.36 1.10 0.20 3.97 3.76 -1.26 -4.82 115.29 118.60 1gm1 s HIS 60 Ca 0.26 -1.33 -0.32 0.00 -0.15 0.00 0.00 55.06 53.53 1gm1 s HIS 60 Cb -0.16 -0.07 -0.12 0.00 1.11 0.00 0.00 32.58 33.34 1gm1 s HIS 60 CO 0.11 -1.17 1.74 0.21 -0.85 0.00 0.00 174.74 174.78 1gm1 s LYS 61 N -2.92 4.12 0.00 1.40 2.20 -1.26 -2.39 119.74 120.89 1gm1 s LYS 61 Ca 0.31 2.62 0.00 0.00 -0.36 0.00 0.00 55.97 58.53 1gm1 s LYS 61 Cb -0.01 -3.13 0.00 0.00 -1.51 0.00 0.00 37.83 33.18 1gm1 s LYS 61 CO 0.21 -0.77 0.00 0.41 -0.36 0.00 0.00 175.35 174.85 1gm1 n GLY 62 N 4.02 0.76 3.78 5.54 0.00 -0.40 -4.89 105.19 114.00 1gm1 n GLY 62 Ca 0.16 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 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 -2.69 6.86 -0.20 1.61 1.01 -1.01 -4.05 116.67 118.20 1gm1 s ASP 63 Ca 0.00 2.00 -0.15 0.00 0.71 0.00 0.00 52.55 55.11 1gm1 s ASP 63 Cb 0.00 -2.58 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 1gm1 s ASP 63 CO 0.00 -0.42 0.36 -0.60 0.21 0.00 0.00 175.17 174.72 1gm1 s ARG 64 N -2.43 4.16 0.04 8.23 6.06 0.03 -1.34 118.95 133.69 1gm1 s ARG 64 Ca 0.56 0.12 -0.29 0.00 -2.50 0.00 0.00 55.73 53.63 1gm1 s ARG 64 Cb -0.21 -3.53 -0.04 0.00 0.06 0.00 0.00 34.95 31.22 1gm1 s ARG 64 CO 0.27 -0.01 0.91 0.08 -2.50 0.00 0.00 175.30 174.05 1gm1 s VAL 65 N 1.23 4.74 -0.21 7.11 1.01 -0.32 -0.63 120.40 133.32 1gm1 s VAL 65 Ca 0.17 1.93 -0.13 0.00 0.00 0.00 0.00 61.98 63.96 1gm1 s VAL 65 Cb -0.14 -4.26 -0.09 0.00 0.00 0.00 0.00 36.38 31.89 1gm1 s VAL 65 CO 0.07 0.26 -0.30 0.18 0.00 0.00 0.00 175.10 175.31 1gm1 n LEU 66 N 3.33 1.69 -3.73 3.92 4.32 -0.93 -4.61 117.00 120.99 1gm1 n LEU 66 Ca 0.03 0.29 -0.12 0.00 -0.02 0.00 0.00 56.01 56.19 1gm1 n LEU 66 Cb 0.50 -0.68 -0.11 0.00 -1.62 0.00 0.00 43.42 41.51 1gm1 n LEU 66 CO 0.50 0.24 0.01 0.00 -1.22 0.00 0.00 177.39 176.92 1gm1 s ALA 67 N -2.53 -0.88 -0.23 -1.18 0.00 -0.11 -1.21 121.76 115.62 1gm1 s ALA 67 Ca -0.30 1.19 -0.05 0.00 0.00 0.00 0.00 51.96 52.80 1gm1 s ALA 67 Cb 0.10 -0.71 -0.01 0.00 0.00 0.00 0.00 23.12 22.49 1gm1 s ALA 67 CO 0.40 -0.21 -0.01 0.08 0.00 0.00 0.00 175.76 176.02 1gm1 s VAL 68 N 0.80 3.63 -1.16 0.00 1.01 -0.27 -0.60 120.40 123.80 1gm1 s VAL 68 Ca -0.05 -0.41 0.00 0.00 0.00 0.00 0.00 61.98 61.52 1gm1 s VAL 68 Cb -0.06 -2.66 0.00 0.00 0.00 0.00 0.00 36.38 33.66 1gm1 s VAL 68 CO -0.06 0.40 0.00 -3.20 0.00 0.00 0.00 175.10 172.24 1gm1 n ASN 69 N 4.81 -4.58 0.00 3.32 5.15 0.50 -1.38 115.26 123.07 1gm1 n ASN 69 Ca -0.18 0.27 0.00 0.00 -0.60 0.00 0.00 54.58 54.07 1gm1 n ASN 69 Cb 0.51 -3.05 0.00 0.00 -0.53 0.00 0.00 39.78 36.71 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 -1.29 2.47 3.58 8.20 0.00 -1.25 -4.98 105.19 111.92 1gm1 n GLY 70 Ca -0.11 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.49 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 -2.64 4.78 -0.00 1.61 1.01 -0.48 -5.02 120.40 119.67 1gm1 s VAL 71 Ca 0.00 0.74 -0.30 0.00 0.00 0.00 0.00 61.98 62.41 1gm1 s VAL 71 Cb 0.00 -4.18 -0.04 0.00 0.00 0.00 0.00 36.38 32.16 1gm1 s VAL 71 CO 0.00 -0.42 1.16 -0.44 0.00 0.00 0.00 175.10 175.40 1gm1 s SER 72 N 1.85 7.11 -0.45 3.32 0.01 -1.26 -1.12 113.70 123.16 1gm1 s SER 72 Ca 0.29 1.87 -0.05 0.00 1.31 0.00 0.00 55.95 59.37 1gm1 s SER 72 Cb -0.14 -2.57 -0.03 0.00 0.21 0.00 0.00 66.02 63.50 1gm1 s SER 72 CO 0.17 -0.49 2.99 0.18 0.41 0.00 0.00 173.24 176.49 1gm1 n LEU 73 N 4.49 6.35 -4.61 2.44 4.77 -0.35 -4.94 117.00 125.16 1gm1 n LEU 73 Ca 0.09 -3.90 -0.43 0.00 -0.03 0.00 0.00 56.01 51.74 1gm1 n LEU 73 Cb 0.47 -1.31 -0.02 0.00 -2.33 0.00 0.00 43.42 40.23 1gm1 n LEU 73 CO 0.55 1.77 1.24 -1.83 -1.33 0.00 0.00 177.39 177.78 1gm1 s GLU 74 N -0.76 3.64 -0.16 3.23 -1.05 -1.26 -2.71 118.70 119.62 1gm1 s GLU 74 Ca 0.61 1.06 0.00 0.00 -0.15 0.00 0.00 54.97 56.50 1gm1 s GLU 74 Cb 0.34 -4.01 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1gm1 s GLU 74 CO -0.14 -1.48 0.00 0.41 0.95 0.00 0.00 175.26 175.00 1gm1 n GLY 75 N 4.92 0.50 3.78 -3.83 0.00 -1.26 -5.01 105.19 104.29 1gm1 n GLY 75 Ca 0.17 -0.28 -0.31 0.00 0.00 0.00 0.00 46.02 45.60 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 -1.90 2.40 0.71 4.61 0.00 -1.10 -4.84 121.76 121.64 1gm1 s ALA 76 Ca 0.00 0.24 -0.07 0.00 0.00 0.00 0.00 51.96 52.13 1gm1 s ALA 76 Cb 0.00 -3.25 0.06 0.00 0.00 0.00 0.00 23.12 19.93 1gm1 s ALA 76 CO 0.00 -1.55 1.03 0.95 0.00 0.00 0.00 175.76 176.19 1gm1 s THR 77 N -2.88 2.29 0.17 0.00 -4.23 -1.26 -3.93 115.64 105.79 1gm1 s THR 77 Ca 0.61 -0.22 -0.15 0.00 -1.18 0.00 0.00 61.69 60.75 1gm1 s THR 77 Cb -0.16 -3.02 0.05 0.00 1.34 0.00 0.00 72.50 70.71 1gm1 s THR 77 CO 0.54 -0.02 1.75 -0.74 -0.54 0.00 0.00 174.62 175.61 1gm1 h HIS 78 N -0.65 0.27 -0.46 3.99 2.76 -1.95 -2.64 115.15 116.48 1gm1 h HIS 78 Ca -0.45 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 57.84 1gm1 h HIS 78 Cb 1.32 -0.06 -0.09 0.00 1.55 0.00 0.00 27.41 30.13 1gm1 h HIS 78 CO 0.34 0.10 -0.12 -0.22 -1.30 0.00 0.00 177.93 176.73 1gm1 h LYS 79 N 0.32 -0.00 -0.27 5.26 1.63 -1.97 -0.77 116.57 120.78 1gm1 h LYS 79 Ca 0.20 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 60.04 1gm1 h LYS 79 Cb 0.18 0.00 -0.04 0.00 -0.60 0.00 0.00 32.23 31.77 1gm1 h LYS 79 CO -0.20 -0.00 0.02 1.96 -3.45 0.00 0.00 179.45 177.78 1gm1 h GLN 80 N -0.00 0.10 -0.78 1.90 7.50 -1.91 0.78 115.11 122.70 1gm1 h GLN 80 Ca 0.22 -0.01 0.03 0.00 0.50 0.00 0.00 58.65 59.40 1gm1 h GLN 80 Cb 0.34 -0.02 -0.05 0.00 0.05 0.00 0.00 27.48 27.80 1gm1 h GLN 80 CO -0.48 0.07 0.50 0.00 -1.50 0.00 0.00 178.83 177.42 1gm1 h ALA 81 N 1.22 1.03 -0.20 3.87 0.00 -1.10 -0.70 119.26 123.39 1gm1 h ALA 81 Ca 0.12 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 1gm1 h ALA 81 Cb 0.15 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1gm1 h ALA 81 CO -0.19 0.31 -0.00 0.28 0.00 0.00 0.00 179.25 179.64 1gm1 h VAL 82 N 0.97 1.26 -0.41 0.00 2.07 -0.89 0.97 116.25 120.22 1gm1 h VAL 82 Ca 0.31 -0.88 -0.02 0.00 0.82 0.00 0.00 66.70 66.94 1gm1 h VAL 82 Cb 0.01 1.45 -0.02 0.00 -1.52 0.00 0.00 31.29 31.21 1gm1 h VAL 82 CO -0.11 0.27 0.19 -0.33 0.02 0.00 0.00 177.57 177.60 1gm1 h GLU 83 N 0.10 0.57 0.07 1.57 5.08 -0.64 0.20 114.58 121.52 1gm1 h GLU 83 Ca 0.05 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 58.10 1gm1 h GLU 83 Cb 0.40 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.54 1gm1 h GLU 83 CO 0.01 0.45 -1.09 1.15 -1.00 0.00 0.00 179.01 178.53 1gm1 h THR 84 N 0.57 1.45 0.00 1.13 2.02 -1.06 -1.92 112.91 115.10 1gm1 h THR 84 Ca 0.14 -2.73 -0.05 0.00 0.77 0.00 0.00 66.41 64.54 1gm1 h THR 84 Cb 0.08 2.67 -0.01 0.00 -1.74 0.00 0.00 68.15 69.15 1gm1 h THR 84 CO -0.02 0.81 -0.22 -0.07 0.37 0.00 0.00 175.52 176.39 1gm1 h LEU 85 N 0.15 0.00 -0.05 2.58 3.38 -0.30 -3.03 115.31 118.04 1gm1 h LEU 85 Ca -0.11 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 57.84 1gm1 h LEU 85 Cb 1.77 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 1gm1 h LEU 85 CO 0.18 0.22 -0.05 0.03 0.09 0.00 0.00 178.44 178.91 1gm1 h ARG 86 N 0.00 0.13 -2.21 1.13 3.08 -0.60 -3.36 114.38 112.56 1gm1 h ARG 86 Ca -0.00 -0.07 -0.44 0.00 0.07 0.00 0.00 59.98 59.54 1gm1 h ARG 86 Cb 0.68 0.00 -0.11 0.00 0.08 0.00 0.00 29.97 30.62 1gm1 h ARG 86 CO 0.03 0.57 0.80 -1.71 -1.07 0.00 0.00 179.97 178.60 1gm1 n ASN 87 N -4.75 6.52 -4.50 7.04 2.85 -0.72 -4.89 115.26 116.81 1gm1 n ASN 87 Ca -0.08 -2.86 -0.25 0.00 -0.11 0.00 0.00 54.58 51.29 1gm1 n ASN 87 Cb 0.29 -1.36 0.14 0.00 1.24 0.00 0.00 39.78 40.08 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 -0.38 2.05 0.00 -0.44 -4.23 -1.24 -4.93 115.64 106.47 1gm1 s THR 88 Ca 0.63 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1gm1 s THR 88 Cb 0.31 -2.61 0.00 0.00 1.34 0.00 0.00 72.50 71.54 1gm1 s THR 88 CO -0.11 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 174.58 1gm1 n GLY 89 N -3.11 1.04 0.20 3.99 0.00 -1.26 -5.03 105.19 101.02 1gm1 n GLY 89 Ca 0.16 -1.95 -0.14 0.00 0.00 0.00 0.00 46.02 44.09 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 0.67 -5.44 1.61 4.15 -1.99 -3.40 115.11 110.70 1gm1 h GLN 90 Ca 0.00 -0.39 -0.60 0.00 0.77 0.00 0.00 58.65 58.43 1gm1 h GLN 90 Cb 0.00 0.03 -0.11 0.00 0.21 0.00 0.00 27.48 27.61 1gm1 h GLN 90 CO 0.00 1.00 -0.24 0.08 -1.93 0.00 0.00 178.83 177.75 1gm1 s VAL 91 N -4.22 5.23 -0.11 2.39 1.01 -1.26 -1.60 120.40 121.84 1gm1 s VAL 91 Ca -0.12 0.67 0.01 0.00 0.00 0.00 0.00 61.98 62.53 1gm1 s VAL 91 Cb 0.08 -3.70 -0.02 0.00 0.00 0.00 0.00 36.38 32.74 1gm1 s VAL 91 CO 0.83 0.29 -0.14 -0.69 0.00 0.00 0.00 175.10 175.39 1gm1 s VAL 92 N 1.08 2.99 -0.49 2.92 1.01 0.20 -4.96 120.40 123.15 1gm1 s VAL 92 Ca 0.18 -0.70 0.04 0.00 0.00 0.00 0.00 61.98 61.50 1gm1 s VAL 92 Cb -0.14 -2.23 0.13 0.00 0.00 0.00 0.00 36.38 34.13 1gm1 s VAL 92 CO 0.07 0.54 0.23 -1.00 0.00 0.00 0.00 175.10 174.94 1gm1 s HIS 93 N 0.10 3.16 0.25 5.22 3.76 -1.26 -0.68 115.29 125.84 1gm1 s HIS 93 Ca -0.06 -3.10 -0.03 0.00 -0.15 0.00 0.00 55.06 51.72 1gm1 s HIS 93 Cb -0.15 -2.76 -0.05 0.00 1.11 0.00 0.00 32.58 30.73 1gm1 s HIS 93 CO 0.05 -0.77 0.48 -0.51 -0.85 0.00 0.00 174.74 173.14 1gm1 s LEU 94 N -0.10 4.13 -0.05 0.89 1.43 0.40 -0.37 118.68 125.02 1gm1 s LEU 94 Ca 0.16 0.55 0.03 0.00 -1.03 0.00 0.00 54.13 53.84 1gm1 s LEU 94 Cb -0.25 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.63 1gm1 s LEU 94 CO -0.01 -0.13 -0.12 -0.22 0.23 0.00 0.00 176.35 176.10 1gm1 s LEU 95 N -3.50 1.73 0.26 1.79 0.20 0.23 -0.47 118.68 118.91 1gm1 s LEU 95 Ca 0.41 -0.26 -0.13 0.00 0.69 0.00 0.00 54.13 54.83 1gm1 s LEU 95 Cb -0.11 -0.74 -0.00 0.00 -0.43 0.00 0.00 46.19 44.91 1gm1 s LEU 95 CO 0.30 0.07 0.51 -1.48 -0.29 0.00 0.00 176.35 175.45 1gm1 s LEU 96 N 0.38 0.28 0.05 -0.68 0.05 -0.85 -0.94 118.68 116.97 1gm1 s LEU 96 Ca -0.08 -0.92 0.07 0.00 0.05 0.00 0.00 54.13 53.25 1gm1 s LEU 96 Cb -0.12 1.87 -0.03 0.00 -2.05 0.00 0.00 46.19 45.85 1gm1 s LEU 96 CO 0.02 -1.18 -0.19 -0.70 -0.55 0.00 0.00 176.35 173.76 1gm1 s GLU 97 N -3.95 2.02 0.23 1.48 2.12 0.19 -1.99 118.70 118.79 1gm1 s GLU 97 Ca 0.21 -1.01 -0.30 0.00 0.36 0.00 0.00 54.97 54.24 1gm1 s GLU 97 Cb -0.01 -2.16 -0.09 0.00 0.26 0.00 0.00 34.13 32.13 1gm1 s GLU 97 CO 0.09 0.53 1.08 0.21 -0.54 0.00 0.00 175.26 176.64 1gm1 s LYS 98 N -1.48 4.64 0.36 4.30 2.47 0.56 -0.79 119.74 129.80 1gm1 s LYS 98 Ca 0.15 1.73 0.06 0.00 -1.56 0.00 0.00 55.97 56.34 1gm1 s LYS 98 Cb -0.10 -3.24 -0.01 0.00 -1.46 0.00 0.00 37.83 33.02 1gm1 s LYS 98 CO 0.05 0.18 0.52 0.20 0.16 0.00 0.00 175.35 176.45 1gm1 s GLY 99 N -0.54 1.62 1.07 5.54 0.00 -1.26 -1.30 107.32 112.45 1gm1 s GLY 99 Ca 0.46 -1.41 -0.18 0.00 0.00 0.00 0.00 44.72 43.59 1gm1 s GLY 99 CO 0.37 -1.30 1.29 -0.86 0.00 0.00 0.00 173.10 172.60 1gm1 s GLN 100 N -4.26 -0.19 0.17 2.90 -2.07 -1.26 -4.24 119.66 110.71 1gm1 s GLN 100 Ca 0.47 -0.44 0.07 0.00 -1.82 0.00 0.00 55.36 53.64 1gm1 s GLN 100 Cb -0.10 -1.75 -0.04 0.00 -1.09 0.00 0.00 33.01 30.03 1gm1 s GLN 100 CO 0.32 -2.96 -0.01 0.14 -1.32 0.00 0.00 175.29 171.46 1gm1 s VAL 101 N -3.70 3.69 -2.00 3.63 -7.23 -1.26 -4.93 120.40 108.60 1gm1 s VAL 101 Ca 0.75 -1.42 0.12 0.00 -1.81 0.00 0.00 61.98 59.62 1gm1 s VAL 101 Cb -0.04 -2.85 0.34 0.00 0.56 0.00 0.00 36.38 34.40 1gm1 s VAL 101 CO 0.54 -0.10 1.14 -2.65 -0.31 0.00 0.00 175.10 173.73