#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 0.40 0.00 -1.58 0.04 -1.26 -4.56 135.00 128.04 1gm1 s PRO 10 Ca 0.00 -0.31 0.00 0.00 0.04 0.00 0.00 61.00 60.73 1gm1 s PRO 10 Cb 0.00 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.73 1gm1 s PRO 10 CO 0.00 -2.59 0.00 0.41 0.04 0.00 0.00 177.00 174.86 1gm1 n GLY 11 N -3.24 0.93 3.77 0.56 0.00 -1.26 -5.07 105.19 100.88 1gm1 n GLY 11 Ca 0.14 -0.44 -0.37 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.43 6.47 0.16 1.61 -1.08 -1.26 -4.96 116.67 115.17 1gm1 s ASP 12 Ca 0.00 0.55 0.05 0.00 -0.52 0.00 0.00 52.55 52.63 1gm1 s ASP 12 Cb 0.00 -2.17 -0.04 0.00 -1.46 0.00 0.00 42.92 39.25 1gm1 s ASP 12 CO 0.00 0.19 0.12 0.42 0.52 0.00 0.00 175.17 176.42 1gm1 s THR 13 N 0.00 4.43 -0.05 1.71 -4.23 -1.26 -1.92 115.64 114.32 1gm1 s THR 13 Ca 0.17 -1.08 -0.09 0.00 -1.18 0.00 0.00 61.69 59.51 1gm1 s THR 13 Cb -0.13 -3.25 0.02 0.00 1.34 0.00 0.00 72.50 70.48 1gm1 s THR 13 CO 0.05 -0.09 0.22 -0.36 -0.54 0.00 0.00 174.62 173.90 1gm1 s PHE 14 N -1.71 -0.17 -0.47 3.99 0.08 0.09 -4.99 117.98 114.80 1gm1 s PHE 14 Ca 0.30 0.38 -0.16 0.00 0.12 0.00 0.00 56.93 57.58 1gm1 s PHE 14 Cb -0.10 0.05 0.07 0.00 -0.57 0.00 0.00 43.02 42.47 1gm1 s PHE 14 CO 0.23 -0.20 0.42 -1.21 -0.10 0.00 0.00 175.22 174.35 1gm1 s GLU 15 N -0.46 2.99 -0.57 0.44 2.02 -1.26 -0.54 118.70 121.32 1gm1 s GLU 15 Ca -0.06 -1.30 -0.17 0.00 0.02 0.00 0.00 54.97 53.47 1gm1 s GLU 15 Cb -0.04 -4.13 0.13 0.00 0.10 0.00 0.00 34.13 30.20 1gm1 s GLU 15 CO 0.01 -1.04 0.56 0.08 0.02 0.00 0.00 175.26 174.89 1gm1 s VAL 16 N 1.74 5.13 -0.76 2.63 1.01 0.16 -4.96 120.40 125.35 1gm1 s VAL 16 Ca 0.05 -1.42 -0.20 0.00 0.00 0.00 0.00 61.98 60.41 1gm1 s VAL 16 Cb -0.24 -4.38 0.10 0.00 0.00 0.00 0.00 36.38 31.86 1gm1 s VAL 16 CO 0.07 -0.94 0.98 -1.61 0.00 0.00 0.00 175.10 173.60 1gm1 s GLU 17 N 1.80 3.31 -0.14 2.72 2.02 -1.26 -0.60 118.70 126.54 1gm1 s GLU 17 Ca 0.06 -1.33 -0.02 0.00 0.02 0.00 0.00 54.97 53.69 1gm1 s GLU 17 Cb -0.28 -4.52 -0.02 0.00 0.10 0.00 0.00 34.13 29.41 1gm1 s GLU 17 CO 0.03 -1.74 -0.07 -1.17 0.02 0.00 0.00 175.26 172.33 1gm1 s LEU 18 N 3.18 3.04 -0.09 1.80 2.96 0.35 -4.94 118.68 124.99 1gm1 s LEU 18 Ca 0.24 -0.20 -0.05 0.00 -0.22 0.00 0.00 54.13 53.90 1gm1 s LEU 18 Cb -0.13 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.81 1gm1 s LEU 18 CO 0.01 0.17 0.11 0.00 -1.32 0.00 0.00 176.35 175.32 1gm1 s ALA 19 N 0.34 3.73 0.53 5.97 0.00 -1.26 0.44 121.76 131.52 1gm1 s ALA 19 Ca -0.07 -0.71 -0.21 0.00 0.00 0.00 0.00 51.96 50.97 1gm1 s ALA 19 Cb -0.15 -1.82 -0.05 0.00 0.00 0.00 0.00 23.12 21.10 1gm1 s ALA 19 CO 0.04 0.64 1.27 0.15 0.00 0.00 0.00 175.76 177.85 1gm1 s LYS 20 N -1.17 3.28 -0.18 0.00 -0.14 -0.48 -4.80 119.74 116.24 1gm1 s LYS 20 Ca 0.17 2.00 -0.01 0.00 -1.36 0.00 0.00 55.97 56.78 1gm1 s LYS 20 Cb -0.12 -2.23 0.00 0.00 -1.68 0.00 0.00 37.83 33.81 1gm1 s LYS 20 CO 0.06 -1.00 -0.14 0.95 -0.76 0.00 0.00 175.35 174.46 1gm1 s THR 21 N -1.44 2.69 -1.61 2.17 -4.23 -0.89 -4.74 115.64 107.59 1gm1 s THR 21 Ca 0.71 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 60.39 1gm1 s THR 21 Cb -0.35 -2.16 0.08 0.00 1.34 0.00 0.00 72.50 71.41 1gm1 s THR 21 CO 0.40 0.50 0.37 -0.67 -0.54 0.00 0.00 174.62 174.68 1gm1 n ASP 22 N 4.36 -0.69 -0.10 3.99 -0.08 -1.26 -0.79 116.55 121.99 1gm1 n ASP 22 Ca -0.19 -1.16 -0.01 0.00 -1.51 0.00 0.00 54.79 51.92 1gm1 n ASP 22 Cb 0.51 -2.17 -0.01 0.00 2.34 0.00 0.00 41.12 41.79 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 -1.92 0.42 3.49 0.27 0.00 -1.26 -5.02 105.19 101.16 1gm1 n GLY 23 Ca -0.16 -0.11 -0.27 0.00 0.00 0.00 0.00 46.02 45.48 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 -2.14 3.81 -0.16 1.61 0.01 0.03 -5.05 113.70 111.81 1gm1 s SER 24 Ca 0.00 -0.71 -0.14 0.00 1.31 0.00 0.00 55.95 56.41 1gm1 s SER 24 Cb 0.00 -0.47 -0.05 0.00 0.21 0.00 0.00 66.02 65.71 1gm1 s SER 24 CO 0.00 0.12 -0.27 0.18 0.41 0.00 0.00 173.24 173.69 1gm1 n LEU 25 N 0.26 1.78 0.00 2.44 4.77 -1.26 -2.10 117.00 122.89 1gm1 n LEU 25 Ca -0.12 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.29 1gm1 n LEU 25 Cb 0.55 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1gm1 n LEU 25 CO 0.31 -0.36 0.00 0.61 -1.33 0.00 0.00 177.39 176.62 1gm1 n GLY 26 N 1.53 1.24 3.09 -0.72 0.00 -1.26 0.30 105.19 109.37 1gm1 n GLY 26 Ca -0.11 0.00 -0.22 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 -2.00 1.07 -0.24 -0.61 -4.36 -1.26 -1.54 121.20 112.26 1gm1 s ILE 27 Ca 0.00 -0.57 -0.04 0.00 -0.26 0.00 0.00 60.65 59.78 1gm1 s ILE 27 Cb 0.00 -0.90 0.00 0.00 1.25 0.00 0.00 42.46 42.81 1gm1 s ILE 27 CO 0.00 0.31 -0.02 -0.44 0.24 0.00 0.00 174.94 175.03 1gm1 s SER 28 N -0.24 4.50 0.30 4.36 0.01 -0.49 -4.93 113.70 117.23 1gm1 s SER 28 Ca 0.04 -0.57 0.05 0.00 1.31 0.00 0.00 55.95 56.77 1gm1 s SER 28 Cb -0.06 -1.76 -0.02 0.00 0.21 0.00 0.00 66.02 64.39 1gm1 s SER 28 CO -0.00 -0.08 0.45 0.68 0.41 0.00 0.00 173.24 174.69 1gm1 s VAL 29 N 1.45 4.64 0.29 3.43 -7.23 -1.26 -0.32 120.40 121.39 1gm1 s VAL 29 Ca 0.04 -0.91 -0.03 0.00 -1.81 0.00 0.00 61.98 59.26 1gm1 s VAL 29 Cb -0.15 -3.64 0.01 0.00 0.56 0.00 0.00 36.38 33.16 1gm1 s VAL 29 CO -0.02 -0.27 0.42 1.07 -0.31 0.00 0.00 175.10 175.99 1gm1 n THR 30 N -1.59 0.00 -0.49 5.32 5.66 0.65 -4.72 114.28 119.11 1gm1 n THR 30 Ca -0.04 -1.35 0.00 0.00 -3.05 0.00 0.00 64.05 59.61 1gm1 n THR 30 Cb 0.57 0.87 0.00 0.00 -1.55 0.00 0.00 70.33 70.22 1gm1 n THR 30 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1gm1 n GLY 31 N -0.46 -0.01 0.00 1.09 0.00 -1.26 -0.58 105.19 103.96 1gm1 n GLY 31 Ca -0.00 -1.73 0.00 0.00 0.00 0.00 0.00 46.02 44.29 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 1.41 0.22 -0.02 0.00 -0.14 -4.48 105.19 102.18 1gm1 n GLY 32 Ca 0.00 -1.97 0.16 0.00 0.00 0.00 0.00 46.02 44.21 1gm1 n GLY 32 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1gm1 h VAL 33 N 0.00 0.00 0.00 1.61 -1.51 -1.65 -3.22 116.25 111.48 1gm1 h VAL 33 Ca 0.00 -0.36 -0.15 0.00 -1.23 0.00 0.00 66.70 64.95 1gm1 h VAL 33 Cb 0.00 1.25 -0.02 0.00 -2.13 0.00 0.00 31.29 30.38 1gm1 h VAL 33 CO 0.00 0.00 -0.88 -1.13 -1.23 0.00 0.00 177.57 174.33 1gm1 h ASN 34 N 0.00 0.00 -1.80 4.19 -0.73 -1.91 -3.46 115.58 111.88 1gm1 h ASN 34 Ca 0.00 0.00 -0.47 0.00 1.87 0.00 0.00 56.30 57.70 1gm1 h ASN 34 Cb 0.41 0.00 -0.02 0.00 0.27 0.00 0.00 38.32 38.98 1gm1 h ASN 34 CO 0.00 0.67 -0.39 0.42 -0.37 0.00 0.00 177.43 177.76 1gm1 s THR 35 N -2.87 3.69 -1.53 -3.57 -4.23 -1.22 -5.01 115.64 100.90 1gm1 s THR 35 Ca 0.01 -1.20 -0.10 0.00 -1.18 0.00 0.00 61.69 59.23 1gm1 s THR 35 Cb 0.08 -3.26 -0.02 0.00 1.34 0.00 0.00 72.50 70.64 1gm1 s THR 35 CO 0.78 -0.15 2.71 -1.20 -0.54 0.00 0.00 174.62 176.22 1gm1 n SER 36 N -1.51 7.88 -0.50 3.99 7.64 -1.26 -4.36 113.62 125.49 1gm1 n SER 36 Ca -0.00 -2.74 0.11 0.00 1.01 0.00 0.00 58.87 57.24 1gm1 n SER 36 Cb 0.59 -1.53 -0.00 0.00 -1.01 0.00 0.00 64.21 62.26 1gm1 n SER 36 CO 0.00 0.00 0.00 1.33 -3.01 0.00 0.00 175.04 173.36 1gm1 n VAL 37 N 3.39 0.00 -1.23 0.44 0.24 -1.26 -5.06 118.33 114.85 1gm1 n VAL 37 Ca 0.71 -0.28 0.00 0.00 -2.04 0.00 0.00 64.34 62.73 1gm1 n VAL 37 Cb 0.26 1.26 0.00 0.00 -1.47 0.00 0.00 33.84 33.89 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 0.02 -2.17 0.00 7.34 1.74 -1.26 -4.75 116.66 117.58 1gm1 n ARG 38 Ca 0.09 1.85 0.00 0.00 -0.77 0.00 0.00 57.85 59.02 1gm1 n ARG 38 Cb 0.46 -1.82 0.00 0.00 -1.02 0.00 0.00 32.46 30.09 1gm1 n ARG 38 CO 0.00 0.00 0.00 0.72 -1.52 0.00 0.00 177.63 176.83 1gm1 n HIS 39 N 0.74 0.00 0.00 -1.55 8.25 -1.26 -4.37 115.22 117.04 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 0.56 3.81 -1.41 0.00 -1.26 -4.54 105.19 102.36 1gm1 n GLY 40 Ca 0.00 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 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 1.99 -0.25 -0.02 0.00 -1.26 -3.65 107.32 104.12 1gm1 s GLY 41 Ca 0.00 0.28 -0.14 0.00 0.00 0.00 0.00 44.72 44.86 1gm1 s GLY 41 CO 0.00 0.59 0.31 -0.42 0.00 0.00 0.00 173.10 173.58 1gm1 s ILE 42 N -2.64 5.23 0.14 0.90 -1.09 -1.26 -0.97 121.20 121.51 1gm1 s ILE 42 Ca 0.61 0.46 0.07 0.00 -2.23 0.00 0.00 60.65 59.57 1gm1 s ILE 42 Cb -0.15 -3.64 -0.04 0.00 -1.58 0.00 0.00 42.46 37.05 1gm1 s ILE 42 CO 0.41 0.22 -0.17 -0.31 -1.23 0.00 0.00 174.94 173.87 1gm1 s TYR 43 N 1.70 1.65 -0.05 3.97 2.02 0.25 -1.06 117.35 125.83 1gm1 s TYR 43 Ca 0.13 -0.49 -0.30 0.00 -0.37 0.00 0.00 57.07 56.04 1gm1 s TYR 43 Cb -0.15 -0.85 -0.03 0.00 -0.40 0.00 0.00 41.96 40.53 1gm1 s TYR 43 CO 0.09 0.24 1.18 0.08 -1.57 0.00 0.00 175.55 175.57 1gm1 s VAL 44 N -1.96 4.30 -0.18 0.71 1.01 -0.27 -0.25 120.40 123.76 1gm1 s VAL 44 Ca 0.12 1.63 -0.13 0.00 0.00 0.00 0.00 61.98 63.60 1gm1 s VAL 44 Cb -0.06 -4.04 -0.21 0.00 0.00 0.00 0.00 36.38 32.06 1gm1 s VAL 44 CO 0.05 0.01 0.19 1.17 0.00 0.00 0.00 175.10 176.51 1gm1 n LYS 45 N 5.09 0.66 -3.78 2.72 4.81 0.56 -0.69 118.16 127.52 1gm1 n LYS 45 Ca 0.11 0.38 -0.13 0.00 -0.87 0.00 0.00 58.31 57.79 1gm1 n LYS 45 Cb 0.46 -1.69 -0.09 0.00 0.02 0.00 0.00 35.03 33.73 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 -0.69 -0.25 3.14 0.00 -0.99 -4.71 121.76 115.78 1gm1 s ALA 46 Ca -0.28 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 51.93 1gm1 s ALA 46 Cb 0.07 -0.02 -0.04 0.00 0.00 0.00 0.00 23.12 23.13 1gm1 s ALA 46 CO 0.66 -0.23 0.13 -1.50 0.00 0.00 0.00 175.76 174.82 1gm1 s ILE 47 N -1.06 4.85 -0.18 0.00 1.10 -1.26 -1.39 121.20 123.25 1gm1 s ILE 47 Ca -0.11 0.01 -0.29 0.00 -0.51 0.00 0.00 60.65 59.75 1gm1 s ILE 47 Cb -0.05 -3.28 -0.01 0.00 0.15 0.00 0.00 42.46 39.27 1gm1 s ILE 47 CO 0.03 0.31 1.17 -0.63 -2.11 0.00 0.00 174.94 173.72 1gm1 s ILE 48 N 1.51 4.44 0.14 2.00 -1.09 -0.59 -4.98 121.20 122.63 1gm1 s ILE 48 Ca 0.06 1.74 -0.31 0.00 -2.23 0.00 0.00 60.65 59.91 1gm1 s ILE 48 Cb -0.15 -4.12 -0.11 0.00 -1.58 0.00 0.00 42.46 36.50 1gm1 s ILE 48 CO 0.06 -0.15 1.81 -2.65 -1.23 0.00 0.00 174.94 172.79 1gm1 n PRO 49 N 6.43 2.79 -1.84 2.79 -0.02 -1.26 -1.94 135.00 141.96 1gm1 n PRO 49 Ca 0.13 1.01 -0.02 0.00 -2.02 0.00 0.00 63.50 62.61 1gm1 n PRO 49 Cb 0.45 -2.90 -0.00 0.00 -0.02 0.00 0.00 33.50 31.03 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 5.25 -0.14 -2.43 -0.52 5.02 -1.26 -5.08 118.16 119.01 1gm1 n LYS 50 Ca 0.18 0.18 -0.29 0.00 -2.02 0.00 0.00 58.31 56.36 1gm1 n LYS 50 Cb 0.37 -3.78 0.00 0.00 -0.02 0.00 0.00 35.03 31.60 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 -2.93 1.57 0.11 0.72 0.00 -0.82 -4.98 107.32 100.99 1gm1 s GLY 51 Ca 0.00 -0.37 -0.31 0.00 0.00 0.00 0.00 44.72 44.04 1gm1 s GLY 51 CO 0.00 -0.17 1.51 0.00 0.00 0.00 0.00 173.10 174.43 1gm1 h ALA 52 N 0.12 -0.88 -0.08 3.20 0.00 -1.18 -0.99 119.26 119.45 1gm1 h ALA 52 Ca -0.46 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.39 1gm1 h ALA 52 Cb 1.20 0.96 -0.00 0.00 0.00 0.00 0.00 17.79 19.94 1gm1 h ALA 52 CO 0.62 -1.05 0.05 0.00 0.00 0.00 0.00 179.25 178.87 1gm1 h ALA 53 N -0.44 0.10 -0.27 0.00 0.00 -0.47 -2.15 119.26 116.05 1gm1 h ALA 53 Ca 0.02 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1gm1 h ALA 53 Cb 0.64 -0.03 -0.06 0.00 0.00 0.00 0.00 17.79 18.34 1gm1 h ALA 53 CO -0.38 -0.40 -0.47 1.49 0.00 0.00 0.00 179.25 179.49 1gm1 h GLU 54 N 0.10 -0.38 -0.14 0.00 4.22 -1.69 -3.17 114.58 113.52 1gm1 h GLU 54 Ca 0.03 0.03 -0.10 0.00 0.08 0.00 0.00 59.36 59.39 1gm1 h GLU 54 Cb -0.00 0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.32 1gm1 h GLU 54 CO -0.01 -0.25 -0.36 0.77 -2.18 0.00 0.00 179.01 176.99 1gm1 h SER 55 N -0.39 0.31 0.03 1.04 0.02 -1.09 -3.28 113.55 110.19 1gm1 h SER 55 Ca 0.05 -0.12 0.00 0.00 -0.84 0.00 0.00 61.79 60.89 1gm1 h SER 55 Cb 0.53 -0.08 -0.01 0.00 0.14 0.00 0.00 62.40 62.97 1gm1 h SER 55 CO -0.46 0.65 -0.16 -0.78 -1.14 0.00 0.00 176.83 174.94 1gm1 h ASP 56 N 0.26 -0.49 0.00 3.07 1.82 -1.36 -3.48 116.42 116.23 1gm1 h ASP 56 Ca 0.03 0.05 0.00 0.00 -0.39 0.00 0.00 57.03 56.72 1gm1 h ASP 56 Cb 0.75 0.18 0.00 0.00 0.68 0.00 0.00 39.33 40.95 1gm1 h ASP 56 CO 0.06 -0.17 0.00 0.61 -1.61 0.00 0.00 179.24 178.13 1gm1 n GLY 57 N -1.15 2.07 0.18 -0.78 0.00 -1.22 -4.95 105.19 99.35 1gm1 n GLY 57 Ca -0.03 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.94 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 0.12 0.32 -5.09 1.61 3.08 -1.91 -3.41 114.38 109.11 1gm1 h ARG 58 Ca 0.00 -0.20 -0.66 0.00 0.07 0.00 0.00 59.98 59.18 1gm1 h ARG 58 Cb 0.00 0.02 -0.16 0.00 0.08 0.00 0.00 29.97 29.91 1gm1 h ARG 58 CO 0.00 0.79 -0.13 0.42 -1.07 0.00 0.00 179.97 179.98 1gm1 s ILE 59 N -3.88 5.06 0.14 2.04 1.01 -1.26 -5.01 121.20 119.30 1gm1 s ILE 59 Ca -0.05 0.09 0.02 0.00 0.00 0.00 0.00 60.65 60.70 1gm1 s ILE 59 Cb 0.12 -3.96 -0.01 0.00 0.01 0.00 0.00 42.46 38.62 1gm1 s ILE 59 CO 0.80 -0.26 0.15 1.57 0.00 0.00 0.00 174.94 177.21 1gm1 n HIS 60 N 5.66 -0.56 -1.71 3.97 -0.00 -1.26 -4.42 115.22 116.90 1gm1 n HIS 60 Ca -0.06 -1.09 -0.42 0.00 0.46 0.00 0.00 57.72 56.61 1gm1 n HIS 60 Cb 0.49 0.17 -0.03 0.00 -0.12 0.00 0.00 29.99 30.49 1gm1 n HIS 60 CO 0.00 0.00 0.00 0.21 0.46 0.00 0.00 176.34 177.01 1gm1 s LYS 61 N -2.47 4.13 0.00 1.57 2.20 -1.26 -2.44 119.74 121.47 1gm1 s LYS 61 Ca 0.15 2.61 0.00 0.00 -0.36 0.00 0.00 55.97 58.37 1gm1 s LYS 61 Cb 0.00 -3.33 0.00 0.00 -1.51 0.00 0.00 37.83 32.99 1gm1 s LYS 61 CO 0.10 -0.80 0.00 0.41 -0.36 0.00 0.00 175.35 174.70 1gm1 n GLY 62 N 4.12 1.34 3.82 5.54 0.00 0.13 -4.88 105.19 115.25 1gm1 n GLY 62 Ca 0.17 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.86 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 -3.07 6.94 0.04 1.61 1.01 -1.02 -4.09 116.67 118.09 1gm1 s ASP 63 Ca 0.00 1.59 -0.15 0.00 0.71 0.00 0.00 52.55 54.70 1gm1 s ASP 63 Cb 0.00 -2.50 -0.06 0.00 1.01 0.00 0.00 42.92 41.37 1gm1 s ASP 63 CO 0.00 -0.28 0.45 -0.60 0.21 0.00 0.00 175.17 174.95 1gm1 s ARG 64 N -2.98 3.96 -0.27 8.23 3.52 0.45 -1.12 118.95 130.74 1gm1 s ARG 64 Ca 0.58 0.46 -0.21 0.00 -0.13 0.00 0.00 55.73 56.44 1gm1 s ARG 64 Cb -0.10 -3.17 -0.01 0.00 -1.56 0.00 0.00 34.95 30.10 1gm1 s ARG 64 CO 0.15 0.65 0.65 0.08 -0.81 0.00 0.00 175.30 176.02 1gm1 s VAL 65 N -1.16 4.95 -0.21 7.11 1.01 -0.22 -2.02 120.40 129.86 1gm1 s VAL 65 Ca 0.27 1.08 -0.12 0.00 0.00 0.00 0.00 61.98 63.21 1gm1 s VAL 65 Cb -0.17 -3.98 -0.09 0.00 0.00 0.00 0.00 36.38 32.15 1gm1 s VAL 65 CO 0.16 -0.04 -0.29 -0.11 0.00 0.00 0.00 175.10 174.81 1gm1 n LEU 66 N 5.81 1.66 -3.58 3.92 -0.00 -0.49 -4.60 117.00 119.72 1gm1 n LEU 66 Ca -0.00 0.28 -0.10 0.00 -0.00 0.00 0.00 56.01 56.19 1gm1 n LEU 66 Cb 0.49 -0.67 -0.10 0.00 -0.00 0.00 0.00 43.42 43.13 1gm1 n LEU 66 CO 0.44 0.27 -0.04 0.00 -0.00 0.00 0.00 177.39 178.07 1gm1 s ALA 67 N -2.50 -0.97 -0.35 1.96 0.00 -0.86 -2.28 121.76 116.76 1gm1 s ALA 67 Ca -0.30 1.18 -0.20 0.00 0.00 0.00 0.00 51.96 52.64 1gm1 s ALA 67 Cb 0.10 -1.34 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1gm1 s ALA 67 CO 0.39 -0.87 0.63 0.08 0.00 0.00 0.00 175.76 175.99 1gm1 s VAL 68 N 2.54 4.91 -1.34 0.00 1.01 -0.26 -0.98 120.40 126.27 1gm1 s VAL 68 Ca 0.03 0.62 -0.02 0.00 0.00 0.00 0.00 61.98 62.61 1gm1 s VAL 68 Cb -0.13 -4.06 0.00 0.00 0.00 0.00 0.00 36.38 32.20 1gm1 s VAL 68 CO -0.12 -0.28 0.23 -3.20 0.00 0.00 0.00 175.10 171.72 1gm1 n ASN 69 N 6.00 -5.07 0.00 3.32 5.15 0.11 -1.11 115.26 123.66 1gm1 n ASN 69 Ca -0.01 -0.11 0.00 0.00 -0.60 0.00 0.00 54.58 53.85 1gm1 n ASN 69 Cb 0.49 -4.05 0.00 0.00 -0.53 0.00 0.00 39.78 35.68 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 -1.18 3.24 3.57 8.20 0.00 -1.14 -4.85 105.19 113.03 1gm1 n GLY 70 Ca -0.15 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.44 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 -2.69 4.64 0.03 1.61 1.01 -0.27 -4.96 120.40 119.77 1gm1 s VAL 71 Ca 0.00 0.71 -0.30 0.00 0.00 0.00 0.00 61.98 62.39 1gm1 s VAL 71 Cb 0.00 -4.31 -0.08 0.00 0.00 0.00 0.00 36.38 31.99 1gm1 s VAL 71 CO 0.00 -0.63 1.89 -0.44 0.00 0.00 0.00 175.10 175.92 1gm1 s SER 72 N 2.04 6.49 -0.27 3.32 0.01 -1.26 -1.11 113.70 122.92 1gm1 s SER 72 Ca 0.33 2.59 -0.02 0.00 1.31 0.00 0.00 55.95 60.16 1gm1 s SER 72 Cb -0.12 -2.53 0.11 0.00 0.21 0.00 0.00 66.02 63.69 1gm1 s SER 72 CO 0.21 -1.02 2.31 0.18 0.41 0.00 0.00 173.24 175.33 1gm1 n LEU 73 N 7.27 6.21 -4.57 2.44 4.77 -0.97 -4.92 117.00 127.24 1gm1 n LEU 73 Ca 0.19 -3.32 -0.43 0.00 -0.03 0.00 0.00 56.01 52.42 1gm1 n LEU 73 Cb 0.41 -1.14 -0.04 0.00 -2.33 0.00 0.00 43.42 40.32 1gm1 n LEU 73 CO 0.66 1.34 0.73 -1.83 -1.33 0.00 0.00 177.39 176.97 1gm1 s GLU 74 N -1.30 3.55 0.00 3.23 -1.05 -1.26 -3.36 118.70 118.52 1gm1 s GLU 74 Ca 0.35 0.18 0.00 0.00 -0.15 0.00 0.00 54.97 55.35 1gm1 s GLU 74 Cb 0.24 -3.91 0.00 0.00 -0.44 0.00 0.00 34.13 30.02 1gm1 s GLU 74 CO -0.05 -1.19 0.00 0.41 0.95 0.00 0.00 175.26 175.38 1gm1 n GLY 75 N 4.88 0.72 3.78 -3.83 0.00 -1.26 -5.05 105.19 104.43 1gm1 n GLY 75 Ca 0.06 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.75 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -2.75 2.54 0.89 4.61 0.00 -1.21 -4.86 121.76 120.99 1gm1 s ALA 76 Ca 0.00 0.49 -0.13 0.00 0.00 0.00 0.00 51.96 52.32 1gm1 s ALA 76 Cb 0.00 -3.29 0.16 0.00 0.00 0.00 0.00 23.12 19.98 1gm1 s ALA 76 CO 0.00 -1.16 1.25 0.95 0.00 0.00 0.00 175.76 176.80 1gm1 s THR 77 N -2.39 2.02 0.17 0.00 -4.23 -1.26 -3.75 115.64 106.21 1gm1 s THR 77 Ca 0.66 -0.05 -0.09 0.00 -1.18 0.00 0.00 61.69 61.02 1gm1 s THR 77 Cb -0.19 -2.97 0.04 0.00 1.34 0.00 0.00 72.50 70.71 1gm1 s THR 77 CO 0.41 0.00 1.59 -0.74 -0.54 0.00 0.00 174.62 175.34 1gm1 h HIS 78 N -1.36 1.16 -0.26 3.99 2.76 -1.91 -2.96 115.15 116.57 1gm1 h HIS 78 Ca -0.44 -0.24 0.03 0.00 -2.20 0.00 0.00 60.37 57.52 1gm1 h HIS 78 Cb 1.27 -0.28 -0.03 0.00 1.55 0.00 0.00 27.41 29.91 1gm1 h HIS 78 CO -0.61 1.07 0.07 -0.22 -1.30 0.00 0.00 177.93 176.94 1gm1 h LYS 79 N 0.92 0.17 -0.48 5.26 3.64 -1.94 -1.94 116.57 122.20 1gm1 h LYS 79 Ca 0.14 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.56 1gm1 h LYS 79 Cb 0.69 -0.04 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 1gm1 h LYS 79 CO 0.05 0.11 0.21 1.96 -2.27 0.00 0.00 179.45 179.51 1gm1 h GLN 80 N 0.17 0.40 -0.77 1.90 7.50 -1.93 0.18 115.11 122.57 1gm1 h GLN 80 Ca 0.12 -0.02 -0.04 0.00 0.50 0.00 0.00 58.65 59.20 1gm1 h GLN 80 Cb 0.11 -0.09 -0.03 0.00 0.05 0.00 0.00 27.48 27.51 1gm1 h GLN 80 CO -0.14 0.26 0.31 0.00 -1.50 0.00 0.00 178.83 177.76 1gm1 h ALA 81 N 1.29 1.10 0.01 3.87 0.00 -1.41 -1.31 119.26 122.80 1gm1 h ALA 81 Ca 0.22 -0.19 -0.13 0.00 0.00 0.00 0.00 54.91 54.81 1gm1 h ALA 81 Cb 0.18 -0.30 0.01 0.00 0.00 0.00 0.00 17.79 17.68 1gm1 h ALA 81 CO -0.19 0.64 -0.51 0.28 0.00 0.00 0.00 179.25 179.47 1gm1 h VAL 82 N 1.11 1.47 -0.38 0.00 2.07 -0.84 -1.00 116.25 118.69 1gm1 h VAL 82 Ca 0.26 -2.08 0.03 0.00 0.82 0.00 0.00 66.70 65.73 1gm1 h VAL 82 Cb 0.20 2.70 -0.02 0.00 -1.52 0.00 0.00 31.29 32.65 1gm1 h VAL 82 CO -0.02 0.59 0.25 -0.08 0.02 0.00 0.00 177.57 178.33 1gm1 h GLU 83 N -0.24 0.38 -0.01 1.57 4.57 -0.68 -0.40 114.58 119.77 1gm1 h GLU 83 Ca -0.07 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.08 1gm1 h GLU 83 Cb 1.25 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 29.75 1gm1 h GLU 83 CO 0.10 0.25 -0.05 1.15 -1.18 0.00 0.00 179.01 179.29 1gm1 h THR 84 N 0.39 1.49 -0.51 0.32 2.02 -1.24 -3.20 112.91 112.18 1gm1 h THR 84 Ca 0.15 -1.50 0.03 0.00 0.77 0.00 0.00 66.41 65.86 1gm1 h THR 84 Cb 0.12 2.46 -0.04 0.00 -1.74 0.00 0.00 68.15 68.96 1gm1 h THR 84 CO -0.04 0.40 0.30 -0.07 0.37 0.00 0.00 175.52 176.48 1gm1 h LEU 85 N -0.54 0.47 -1.46 2.58 3.38 -0.53 -2.92 115.31 116.28 1gm1 h LEU 85 Ca -0.00 0.01 -0.06 0.00 0.09 0.00 0.00 57.88 57.92 1gm1 h LEU 85 Cb 0.67 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.33 1gm1 h LEU 85 CO 0.01 0.33 -0.27 0.08 0.09 0.00 0.00 178.44 178.68 1gm1 h ARG 86 N 0.59 0.00 -1.10 1.13 0.11 -1.23 -2.94 114.38 110.93 1gm1 h ARG 86 Ca 0.21 0.00 -0.37 0.00 0.10 0.00 0.00 59.98 59.92 1gm1 h ARG 86 Cb 0.04 0.00 -0.20 0.00 1.11 0.00 0.00 29.97 30.92 1gm1 h ARG 86 CO -0.11 0.27 0.48 -1.71 0.10 0.00 0.00 179.97 179.00 1gm1 n ASN 87 N -3.96 4.50 -4.87 0.08 4.05 -1.10 -4.91 115.26 109.04 1gm1 n ASN 87 Ca -0.02 -3.14 -0.33 0.00 0.45 0.00 0.00 54.58 51.55 1gm1 n ASN 87 Cb 0.34 -0.81 -0.05 0.00 1.23 0.00 0.00 39.78 40.49 1gm1 n ASN 87 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 177.26 174.63 1gm1 s THR 88 N -2.47 4.98 0.00 -0.44 -4.23 -1.11 -5.02 115.64 107.35 1gm1 s THR 88 Ca 0.39 0.45 0.00 0.00 -1.18 0.00 0.00 61.69 61.35 1gm1 s THR 88 Cb 0.32 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.52 1gm1 s THR 88 CO 0.05 0.05 0.00 0.61 -0.54 0.00 0.00 174.62 174.79 1gm1 n GLY 89 N 0.20 1.31 0.32 3.99 0.00 -1.26 -5.03 105.19 104.73 1gm1 n GLY 89 Ca -0.02 -1.56 -0.12 0.00 0.00 0.00 0.00 46.02 44.32 1gm1 n GLY 89 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1gm1 h GLN 90 N 0.00 -0.74 -5.54 1.61 1.08 -1.98 -3.45 115.11 106.10 1gm1 h GLN 90 Ca 0.00 0.05 -0.62 0.00 -1.45 0.00 0.00 58.65 56.63 1gm1 h GLN 90 Cb 0.00 0.17 -0.09 0.00 -0.05 0.00 0.00 27.48 27.51 1gm1 h GLN 90 CO 0.00 -0.48 -0.42 0.54 -0.95 0.00 0.00 178.83 177.52 1gm1 s VAL 91 N -4.09 5.38 -0.19 -0.54 0.11 -1.26 -1.39 120.40 118.43 1gm1 s VAL 91 Ca -0.11 0.35 0.01 0.00 -2.93 0.00 0.00 61.98 59.29 1gm1 s VAL 91 Cb 0.01 -3.51 0.04 0.00 -1.53 0.00 0.00 36.38 31.39 1gm1 s VAL 91 CO 0.35 0.51 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.82 1gm1 s VAL 92 N -0.28 1.65 -0.88 2.04 1.01 0.17 -4.98 120.40 119.13 1gm1 s VAL 92 Ca 0.14 -0.93 -0.15 0.00 0.00 0.00 0.00 61.98 61.04 1gm1 s VAL 92 Cb -0.12 -1.68 0.20 0.00 0.00 0.00 0.00 36.38 34.78 1gm1 s VAL 92 CO 0.03 0.24 0.90 -1.00 0.00 0.00 0.00 175.10 175.27 1gm1 s HIS 93 N 1.41 3.64 -0.13 5.22 3.76 -1.26 -0.50 115.29 127.43 1gm1 s HIS 93 Ca 0.00 -1.90 -0.17 0.00 -0.15 0.00 0.00 55.06 52.84 1gm1 s HIS 93 Cb -0.15 -3.95 -0.04 0.00 1.11 0.00 0.00 32.58 29.55 1gm1 s HIS 93 CO -0.09 -1.12 0.41 -1.17 -0.85 0.00 0.00 174.74 171.92 1gm1 s LEU 94 N 0.71 4.26 -0.14 0.89 2.96 0.23 -0.71 118.68 126.87 1gm1 s LEU 94 Ca 0.23 0.70 -0.22 0.00 -0.22 0.00 0.00 54.13 54.62 1gm1 s LEU 94 Cb -0.09 -2.57 -0.03 0.00 0.50 0.00 0.00 46.19 44.00 1gm1 s LEU 94 CO -0.09 0.04 0.67 -0.22 -1.32 0.00 0.00 176.35 175.43 1gm1 s LEU 95 N 0.56 4.21 0.10 -0.68 2.96 -0.16 0.38 118.68 126.05 1gm1 s LEU 95 Ca 0.22 1.00 0.09 0.00 -0.22 0.00 0.00 54.13 55.23 1gm1 s LEU 95 Cb -0.14 -2.99 -0.03 0.00 0.50 0.00 0.00 46.19 43.52 1gm1 s LEU 95 CO 0.08 -0.22 -0.24 -0.22 -1.32 0.00 0.00 176.35 174.43 1gm1 s LEU 96 N 1.50 2.27 0.02 -0.68 0.20 0.30 -1.40 118.68 120.88 1gm1 s LEU 96 Ca 0.33 -0.68 0.06 0.00 0.69 0.00 0.00 54.13 54.54 1gm1 s LEU 96 Cb -0.16 -1.08 -0.02 0.00 -0.43 0.00 0.00 46.19 44.49 1gm1 s LEU 96 CO 0.13 0.15 -0.20 -0.70 -0.29 0.00 0.00 176.35 175.44 1gm1 s GLU 97 N -1.78 1.43 0.67 1.98 2.12 -0.86 -0.73 118.70 121.54 1gm1 s GLU 97 Ca 0.10 -0.81 -0.11 0.00 0.36 0.00 0.00 54.97 54.51 1gm1 s GLU 97 Cb -0.10 -1.46 -0.01 0.00 0.26 0.00 0.00 34.13 32.82 1gm1 s GLU 97 CO 0.04 0.39 1.05 0.21 -0.54 0.00 0.00 175.26 176.41 1gm1 s LYS 98 N -0.85 3.18 0.00 4.30 2.47 -0.81 -0.41 119.74 127.61 1gm1 s LYS 98 Ca 0.07 0.84 0.00 0.00 -1.56 0.00 0.00 55.97 55.32 1gm1 s LYS 98 Cb -0.08 -2.03 0.00 0.00 -1.46 0.00 0.00 37.83 34.26 1gm1 s LYS 98 CO 0.01 -0.90 0.00 0.41 0.16 0.00 0.00 175.35 175.03 1gm1 n GLY 99 N -2.35 1.15 3.69 5.54 0.00 -1.26 -4.56 105.19 107.41 1gm1 n GLY 99 Ca 0.07 -1.55 -0.30 0.00 0.00 0.00 0.00 46.02 44.24 1gm1 n GLY 99 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1gm1 s GLN 100 N 1.05 -0.68 -0.22 1.61 -0.21 -1.26 -4.69 119.66 115.26 1gm1 s GLN 100 Ca 0.00 -0.16 -0.19 0.00 0.02 0.00 0.00 55.36 55.03 1gm1 s GLN 100 Cb 0.00 -1.67 -0.03 0.00 1.00 0.00 0.00 33.01 32.32 1gm1 s GLN 100 CO 0.00 -3.34 0.58 0.08 -2.12 0.00 0.00 175.29 170.49 1gm1 s VAL 101 N -3.26 5.05 -2.00 1.09 1.01 -1.26 -5.07 120.40 115.96 1gm1 s VAL 101 Ca 0.72 1.05 0.27 0.00 0.00 0.00 0.00 61.98 64.02 1gm1 s VAL 101 Cb -0.08 -3.89 0.76 0.00 0.00 0.00 0.00 36.38 33.17 1gm1 s VAL 101 CO 0.55 0.11 1.95 -0.81 0.00 0.00 0.00 175.10 176.90