#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1gm1 n PRO 10 N 0.00 1.86 0.00 1.97 -0.04 -1.26 -4.24 135.00 133.29 1gm1 n PRO 10 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 1gm1 n PRO 10 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 1gm1 n PRO 10 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1gm1 n GLY 11 N 5.00 0.78 0.25 0.55 0.00 -1.26 -4.96 105.19 105.54 1gm1 n GLY 11 Ca 0.00 -0.63 -0.09 0.00 0.00 0.00 0.00 46.02 45.30 1gm1 n GLY 11 CO 0.00 0.00 0.00 -1.80 0.00 0.00 0.00 173.32 171.52 1gm1 h ASP 12 N 0.00 -0.66 -4.10 1.61 3.58 -1.96 -3.36 116.42 111.53 1gm1 h ASP 12 Ca 0.00 0.12 -0.61 0.00 0.42 0.00 0.00 57.03 56.96 1gm1 h ASP 12 Cb 0.00 0.31 -0.22 0.00 1.72 0.00 0.00 39.33 41.14 1gm1 h ASP 12 CO 0.00 -0.25 -0.84 0.42 -2.88 0.00 0.00 179.24 175.68 1gm1 s THR 13 N -6.11 1.91 -0.02 2.25 -4.23 -1.26 -0.43 115.64 107.76 1gm1 s THR 13 Ca -0.15 -1.58 -0.12 0.00 -1.18 0.00 0.00 61.69 58.66 1gm1 s THR 13 Cb 0.11 -1.71 0.02 0.00 1.34 0.00 0.00 72.50 72.26 1gm1 s THR 13 CO 0.68 0.03 0.25 0.72 -0.54 0.00 0.00 174.62 175.76 1gm1 s PHE 14 N -1.08 -0.12 0.04 3.99 -0.12 -0.75 -4.97 117.98 114.96 1gm1 s PHE 14 Ca 0.09 0.19 -0.14 0.00 -0.05 0.00 0.00 56.93 57.03 1gm1 s PHE 14 Cb -0.10 0.05 -0.06 0.00 -0.63 0.00 0.00 43.02 42.28 1gm1 s PHE 14 CO 0.05 -0.33 0.43 -1.21 -0.05 0.00 0.00 175.22 174.11 1gm1 s GLU 15 N -1.18 3.91 -0.47 1.99 2.02 -1.26 -1.92 118.70 121.78 1gm1 s GLU 15 Ca -0.12 0.39 0.03 0.00 0.02 0.00 0.00 54.97 55.29 1gm1 s GLU 15 Cb -0.06 -3.14 0.13 0.00 0.10 0.00 0.00 34.13 31.16 1gm1 s GLU 15 CO 0.03 0.64 0.24 0.08 0.02 0.00 0.00 175.26 176.27 1gm1 s VAL 16 N -1.19 1.88 -1.04 2.63 1.01 0.77 -5.00 120.40 119.45 1gm1 s VAL 16 Ca 0.28 -2.83 -0.14 0.00 0.00 0.00 0.00 61.98 59.28 1gm1 s VAL 16 Cb -0.16 -2.31 0.20 0.00 0.00 0.00 0.00 36.38 34.10 1gm1 s VAL 16 CO 0.15 -0.85 1.15 -0.70 0.00 0.00 0.00 175.10 174.85 1gm1 s GLU 17 N 0.13 3.90 0.03 2.72 2.12 -1.26 -0.13 118.70 126.21 1gm1 s GLU 17 Ca 0.17 -2.51 0.05 0.00 0.36 0.00 0.00 54.97 53.05 1gm1 s GLU 17 Cb -0.25 -4.78 -0.03 0.00 0.26 0.00 0.00 34.13 29.33 1gm1 s GLU 17 CO -0.00 -1.55 -0.13 -1.17 -0.54 0.00 0.00 175.26 171.88 1gm1 s LEU 18 N 0.88 2.87 -0.25 2.70 2.96 0.18 -4.91 118.68 123.12 1gm1 s LEU 18 Ca 0.32 -0.31 -0.09 0.00 -0.22 0.00 0.00 54.13 53.83 1gm1 s LEU 18 Cb -0.06 -1.67 -0.04 0.00 0.50 0.00 0.00 46.19 44.91 1gm1 s LEU 18 CO -0.06 0.26 0.13 0.00 -1.32 0.00 0.00 176.35 175.35 1gm1 s ALA 19 N -0.98 3.40 0.88 5.97 0.00 -1.26 0.39 121.76 130.16 1gm1 s ALA 19 Ca 0.16 -1.01 -0.12 0.00 0.00 0.00 0.00 51.96 50.99 1gm1 s ALA 19 Cb -0.11 -2.24 0.12 0.00 0.00 0.00 0.00 23.12 20.90 1gm1 s ALA 19 CO 0.07 -0.35 1.10 -1.59 0.00 0.00 0.00 175.76 174.98 1gm1 s LYS 20 N 1.37 1.37 -0.01 0.00 -2.85 -0.37 -4.90 119.74 114.36 1gm1 s LYS 20 Ca 0.06 0.68 0.02 0.00 -1.00 0.00 0.00 55.97 55.74 1gm1 s LYS 20 Cb -0.15 -1.83 -0.01 0.00 -2.06 0.00 0.00 37.83 33.78 1gm1 s LYS 20 CO 0.06 -2.13 -0.07 0.95 0.10 0.00 0.00 175.35 174.25 1gm1 s THR 21 N -3.03 0.59 0.00 3.79 -4.23 -1.13 -4.85 115.64 106.79 1gm1 s THR 21 Ca 0.63 -0.32 0.00 0.00 -1.18 0.00 0.00 61.69 60.82 1gm1 s THR 21 Cb -0.17 -0.50 0.00 0.00 1.34 0.00 0.00 72.50 73.17 1gm1 s THR 21 CO 0.56 0.17 0.00 -0.67 -0.54 0.00 0.00 174.62 174.14 1gm1 n ASP 22 N 2.90 -4.26 0.00 3.99 2.03 -1.26 -1.50 116.55 118.45 1gm1 n ASP 22 Ca -0.13 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.18 1gm1 n ASP 22 Cb 0.57 -2.36 0.00 0.00 -0.72 0.00 0.00 41.12 38.61 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 -0.59 0.34 3.42 0.27 0.00 -1.26 -5.07 105.19 102.30 1gm1 n GLY 23 Ca 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.74 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 -2.32 3.45 -0.16 1.61 0.01 -0.56 -4.98 113.70 110.75 1gm1 s SER 24 Ca 0.00 -0.78 -0.15 0.00 1.31 0.00 0.00 55.95 56.33 1gm1 s SER 24 Cb 0.00 -0.28 -0.11 0.00 0.21 0.00 0.00 66.02 65.84 1gm1 s SER 24 CO 0.00 0.15 0.12 -0.07 0.41 0.00 0.00 173.24 173.85 1gm1 h LEU 25 N 3.53 0.00 0.00 2.44 3.38 -1.91 -2.98 115.31 119.77 1gm1 h LEU 25 Ca -0.49 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.17 1gm1 h LEU 25 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1gm1 h LEU 25 CO 0.44 0.99 0.00 0.61 0.09 0.00 0.00 178.44 180.58 1gm1 n GLY 26 N 1.58 1.24 3.52 0.83 0.00 -1.26 -0.00 105.19 111.10 1gm1 n GLY 26 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 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 -1.24 3.01 -0.11 -0.61 -4.36 -1.26 -1.12 121.20 115.50 1gm1 s ILE 27 Ca 0.00 -1.45 0.01 0.00 -0.26 0.00 0.00 60.65 58.95 1gm1 s ILE 27 Cb 0.00 -2.39 0.02 0.00 1.25 0.00 0.00 42.46 41.34 1gm1 s ILE 27 CO 0.00 0.09 -0.11 -0.55 0.24 0.00 0.00 174.94 174.61 1gm1 s SER 28 N -2.20 2.20 0.32 4.36 0.15 -0.28 -4.83 113.70 113.42 1gm1 s SER 28 Ca 0.19 -0.35 0.09 0.00 0.70 0.00 0.00 55.95 56.59 1gm1 s SER 28 Cb -0.11 -0.93 -0.05 0.00 -1.71 0.00 0.00 66.02 63.22 1gm1 s SER 28 CO 0.11 -0.05 -0.01 0.68 1.20 0.00 0.00 173.24 175.17 1gm1 s VAL 29 N 1.29 2.75 0.29 4.45 -7.23 -1.26 -0.51 120.40 120.18 1gm1 s VAL 29 Ca -0.02 -2.01 -0.08 0.00 -1.81 0.00 0.00 61.98 58.06 1gm1 s VAL 29 Cb -0.14 -2.75 -0.00 0.00 0.56 0.00 0.00 36.38 34.05 1gm1 s VAL 29 CO -0.04 -0.25 0.47 0.28 -0.31 0.00 0.00 175.10 175.25 1gm1 s THR 30 N -2.48 0.00 0.00 5.32 -1.32 0.45 -4.75 115.64 112.85 1gm1 s THR 30 Ca 0.34 -1.50 0.00 0.00 -1.21 0.00 0.00 61.69 59.32 1gm1 s THR 30 Cb -0.02 -2.44 0.00 0.00 -1.51 0.00 0.00 72.50 68.53 1gm1 s THR 30 CO 0.19 0.00 0.00 0.61 -2.21 0.00 0.00 174.62 173.21 1gm1 n GLY 31 N -0.45 0.40 0.00 6.08 0.00 -1.26 -0.46 105.19 109.49 1gm1 n GLY 31 Ca -0.01 -1.66 0.00 0.00 0.00 0.00 0.00 46.02 44.36 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 -0.54 0.29 -0.02 0.00 -0.11 -3.65 105.19 101.15 1gm1 n GLY 32 Ca 0.00 -1.70 0.18 0.00 0.00 0.00 0.00 46.02 44.50 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 0.13 0.00 1.61 -1.51 -1.46 -1.90 116.25 113.12 1gm1 h VAL 33 Ca 0.00 -0.40 0.00 0.00 -1.23 0.00 0.00 66.70 65.07 1gm1 h VAL 33 Cb 0.00 1.35 0.00 0.00 -2.13 0.00 0.00 31.29 30.51 1gm1 h VAL 33 CO 0.00 0.03 0.00 -0.55 -1.23 0.00 0.00 177.57 175.82 1gm1 h ASN 34 N 0.00 0.00 -3.04 4.19 -1.07 -1.83 -3.45 115.58 110.37 1gm1 h ASN 34 Ca -0.00 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.75 1gm1 h ASN 34 Cb 0.35 0.00 -0.09 0.00 -2.07 0.00 0.00 38.32 36.51 1gm1 h ASN 34 CO 0.00 0.00 -0.60 -0.89 0.07 0.00 0.00 177.43 176.01 1gm1 s THR 35 N -3.17 4.39 0.00 6.14 2.01 -0.72 -5.01 115.64 119.28 1gm1 s THR 35 Ca 0.09 -0.94 0.00 0.00 0.31 0.00 0.00 61.69 61.15 1gm1 s THR 35 Cb 0.11 -3.16 0.00 0.00 0.01 0.00 0.00 72.50 69.46 1gm1 s THR 35 CO 0.57 0.04 1.88 -1.54 -0.69 0.00 0.00 174.62 174.88 1gm1 n SER 36 N 0.19 5.04 -4.96 3.53 3.41 -1.26 -4.78 113.62 114.78 1gm1 n SER 36 Ca -0.09 -2.33 -0.22 0.00 -0.26 0.00 0.00 58.87 55.97 1gm1 n SER 36 Cb 0.53 -1.06 0.04 0.00 -0.26 0.00 0.00 64.21 63.45 1gm1 n SER 36 CO 0.00 0.00 0.00 0.68 -0.16 0.00 0.00 175.04 175.56 1gm1 s VAL 37 N 0.09 2.84 -0.12 -3.33 -7.23 -1.26 -5.04 120.40 106.35 1gm1 s VAL 37 Ca 0.00 -0.57 -0.29 0.00 -1.81 0.00 0.00 61.98 59.30 1gm1 s VAL 37 Cb 0.00 -3.08 -0.03 0.00 0.56 0.00 0.00 36.38 33.82 1gm1 s VAL 37 CO 0.00 -0.06 1.49 0.00 -0.31 0.00 0.00 175.10 176.21 1gm1 s ARG 38 N -4.80 4.16 -1.88 4.82 1.70 -1.26 -3.61 118.95 118.07 1gm1 s ARG 38 Ca 0.56 1.91 0.00 0.00 -0.47 0.00 0.00 55.73 57.73 1gm1 s ARG 38 Cb -0.10 -3.90 0.00 0.00 -0.57 0.00 0.00 34.95 30.38 1gm1 s ARG 38 CO 0.39 -0.84 0.00 0.72 -1.08 0.00 0.00 175.30 174.49 1gm1 n HIS 39 N 7.06 -0.31 -2.16 5.89 8.25 -1.26 -2.45 115.22 130.24 1gm1 n HIS 39 Ca 0.16 0.00 -0.13 0.00 -0.26 0.00 0.00 57.72 57.49 1gm1 n HIS 39 Cb 0.44 -3.27 -0.01 0.00 1.12 0.00 0.00 29.99 28.27 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 -0.46 -0.01 3.83 -1.41 0.00 -1.24 -4.90 105.19 101.00 1gm1 n GLY 40 Ca -0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1gm1 n GLY 40 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1gm1 s GLY 41 N -2.46 1.99 -0.23 -0.02 0.00 -1.03 -3.78 107.32 101.79 1gm1 s GLY 41 Ca 0.00 0.20 -0.10 0.00 0.00 0.00 0.00 44.72 44.82 1gm1 s GLY 41 CO 0.00 0.50 0.15 -0.42 0.00 0.00 0.00 173.10 173.33 1gm1 s ILE 42 N -2.68 5.30 0.13 0.90 -1.09 -1.26 -0.94 121.20 121.56 1gm1 s ILE 42 Ca 0.60 0.16 0.08 0.00 -2.23 0.00 0.00 60.65 59.25 1gm1 s ILE 42 Cb -0.12 -3.46 -0.04 0.00 -1.58 0.00 0.00 42.46 37.26 1gm1 s ILE 42 CO 0.38 0.36 -0.18 -0.31 -1.23 0.00 0.00 174.94 173.96 1gm1 s TYR 43 N 1.00 1.67 -0.11 3.97 2.02 0.39 -0.53 117.35 125.75 1gm1 s TYR 43 Ca 0.07 -0.48 -0.30 0.00 -0.37 0.00 0.00 57.07 56.00 1gm1 s TYR 43 Cb -0.13 -0.87 -0.02 0.00 -0.40 0.00 0.00 41.96 40.54 1gm1 s TYR 43 CO 0.04 0.24 1.21 0.08 -1.57 0.00 0.00 175.55 175.54 1gm1 s VAL 44 N -1.82 4.32 -0.19 0.71 1.01 0.14 -0.41 120.40 124.16 1gm1 s VAL 44 Ca 0.11 1.62 -0.17 0.00 0.00 0.00 0.00 61.98 63.54 1gm1 s VAL 44 Cb -0.07 -4.04 -0.20 0.00 0.00 0.00 0.00 36.38 32.07 1gm1 s VAL 44 CO 0.05 -0.07 0.19 1.17 0.00 0.00 0.00 175.10 176.44 1gm1 n LYS 45 N 5.83 0.62 -3.74 2.72 3.00 0.33 -1.87 118.16 125.04 1gm1 n LYS 45 Ca 0.12 0.46 -0.09 0.00 -0.00 0.00 0.00 58.31 58.80 1gm1 n LYS 45 Cb 0.46 -1.71 -0.04 0.00 0.00 0.00 0.00 35.03 33.74 1gm1 n LYS 45 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.40 177.40 1gm1 s ALA 46 N -2.43 -0.97 -0.10 3.14 0.00 -0.96 -4.79 121.76 115.65 1gm1 s ALA 46 Ca -0.28 -0.22 0.02 0.00 0.00 0.00 0.00 51.96 51.48 1gm1 s ALA 46 Cb 0.07 0.87 -0.01 0.00 0.00 0.00 0.00 23.12 24.04 1gm1 s ALA 46 CO 0.63 -0.83 -0.17 -1.50 0.00 0.00 0.00 175.76 173.89 1gm1 s ILE 47 N -3.88 2.71 -0.17 0.00 1.10 -1.26 -1.13 121.20 118.57 1gm1 s ILE 47 Ca 0.10 -0.80 -0.29 0.00 -0.51 0.00 0.00 60.65 59.14 1gm1 s ILE 47 Cb -0.01 -2.09 -0.01 0.00 0.15 0.00 0.00 42.46 40.50 1gm1 s ILE 47 CO -0.02 0.55 1.13 -0.63 -2.11 0.00 0.00 174.94 173.86 1gm1 s ILE 48 N 0.06 4.50 0.09 2.00 -1.09 -0.28 -4.96 121.20 121.52 1gm1 s ILE 48 Ca -0.07 1.81 -0.31 0.00 -2.23 0.00 0.00 60.65 59.85 1gm1 s ILE 48 Cb -0.15 -4.17 -0.10 0.00 -1.58 0.00 0.00 42.46 36.46 1gm1 s ILE 48 CO 0.05 -0.12 1.87 -2.65 -1.23 0.00 0.00 174.94 172.86 1gm1 n PRO 49 N 6.08 2.76 -2.30 2.79 -0.02 -1.26 -1.92 135.00 141.13 1gm1 n PRO 49 Ca 0.12 1.01 -0.12 0.00 -2.02 0.00 0.00 63.50 62.49 1gm1 n PRO 49 Cb 0.46 -2.91 -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 6.11 -1.24 -2.24 -0.52 4.76 -1.26 -5.06 118.16 118.72 1gm1 n LYS 50 Ca 0.19 0.55 -0.28 0.00 -2.87 0.00 0.00 58.31 55.90 1gm1 n LYS 50 Cb 0.37 -4.68 0.03 0.00 -1.84 0.00 0.00 35.03 28.92 1gm1 n LYS 50 CO 0.00 0.00 0.00 0.20 -1.37 0.00 0.00 177.40 176.23 1gm1 s GLY 51 N -2.54 1.60 0.12 0.72 0.00 -0.81 -4.94 107.32 101.47 1gm1 s GLY 51 Ca 0.03 -0.50 -0.32 0.00 0.00 0.00 0.00 44.72 43.93 1gm1 s GLY 51 CO 0.04 -0.21 1.57 0.00 0.00 0.00 0.00 173.10 174.49 1gm1 h ALA 52 N -0.25 -0.78 -0.22 3.20 0.00 -1.54 -1.79 119.26 117.87 1gm1 h ALA 52 Ca -0.45 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 1gm1 h ALA 52 Cb 1.24 0.85 -0.01 0.00 0.00 0.00 0.00 17.79 19.87 1gm1 h ALA 52 CO 0.62 -1.02 0.05 0.00 0.00 0.00 0.00 179.25 178.89 1gm1 h ALA 53 N -0.17 0.28 -0.35 0.00 0.00 -0.72 -2.07 119.26 116.24 1gm1 h ALA 53 Ca 0.04 -0.16 0.04 0.00 0.00 0.00 0.00 54.91 54.83 1gm1 h ALA 53 Cb 0.68 -0.08 -0.06 0.00 0.00 0.00 0.00 17.79 18.33 1gm1 h ALA 53 CO -0.36 -0.06 -0.43 1.49 0.00 0.00 0.00 179.25 179.89 1gm1 h GLU 54 N 0.16 -0.28 -0.08 0.00 4.22 -1.68 -2.42 114.58 114.51 1gm1 h GLU 54 Ca 0.07 0.02 -0.11 0.00 0.08 0.00 0.00 59.36 59.41 1gm1 h GLU 54 Cb 0.29 0.06 -0.01 0.00 0.50 0.00 0.00 28.75 29.59 1gm1 h GLU 54 CO 0.00 -0.18 -0.45 0.77 -2.18 0.00 0.00 179.01 176.96 1gm1 h SER 55 N -0.29 0.21 0.37 1.04 0.02 -1.29 -3.19 113.55 110.42 1gm1 h SER 55 Ca 0.06 -0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.91 1gm1 h SER 55 Cb 0.45 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 62.91 1gm1 h SER 55 CO -0.48 0.64 -0.34 -0.78 -1.14 0.00 0.00 176.83 174.73 1gm1 h ASP 56 N 0.16 -0.91 0.00 3.07 3.58 -1.28 -3.48 116.42 117.57 1gm1 h ASP 56 Ca 0.01 0.08 0.00 0.00 0.42 0.00 0.00 57.03 57.54 1gm1 h ASP 56 Cb 0.87 0.30 0.00 0.00 1.72 0.00 0.00 39.33 42.22 1gm1 h ASP 56 CO 0.07 -0.49 0.00 0.61 -2.88 0.00 0.00 179.24 176.55 1gm1 n GLY 57 N -1.45 0.83 0.07 -0.78 0.00 -0.92 -4.95 105.19 97.99 1gm1 n GLY 57 Ca -0.10 -0.60 -0.11 0.00 0.00 0.00 0.00 46.02 45.21 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 -0.02 -6.18 1.61 2.47 -1.90 -3.45 114.38 106.91 1gm1 h ARG 58 Ca 0.00 0.00 -0.57 0.00 -1.26 0.00 0.00 59.98 58.15 1gm1 h ARG 58 Cb 0.32 0.00 -0.04 0.00 -1.65 0.00 0.00 29.97 28.60 1gm1 h ARG 58 CO 0.00 0.70 0.76 0.42 0.56 0.00 0.00 179.97 182.41 1gm1 s ILE 59 N -2.28 4.51 0.27 2.04 1.01 -1.26 -5.03 121.20 120.46 1gm1 s ILE 59 Ca -0.14 1.81 0.03 0.00 0.00 0.00 0.00 60.65 62.35 1gm1 s ILE 59 Cb -0.02 -4.17 -0.01 0.00 0.01 0.00 0.00 42.46 38.27 1gm1 s ILE 59 CO 0.53 -0.10 0.11 1.57 0.00 0.00 0.00 174.94 177.04 1gm1 n HIS 60 N 5.93 0.05 -2.16 3.97 -0.00 -1.26 -4.78 115.22 116.96 1gm1 n HIS 60 Ca 0.12 -1.79 -0.42 0.00 0.46 0.00 0.00 57.72 56.09 1gm1 n HIS 60 Cb 0.46 0.01 -0.03 0.00 -0.12 0.00 0.00 29.99 30.31 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 -3.05 4.30 0.00 1.57 2.20 -1.26 -2.49 119.74 121.01 1gm1 s LYS 61 Ca 0.15 2.07 0.00 0.00 -0.36 0.00 0.00 55.97 57.83 1gm1 s LYS 61 Cb 0.01 -3.36 0.00 0.00 -1.51 0.00 0.00 37.83 32.97 1gm1 s LYS 61 CO 0.11 -0.50 0.00 0.41 -0.36 0.00 0.00 175.35 175.01 1gm1 n GLY 62 N 3.58 0.77 3.83 5.54 0.00 -0.78 -5.00 105.19 113.12 1gm1 n GLY 62 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.83 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 -2.82 5.70 -0.24 1.61 1.01 -1.04 -4.57 116.67 116.32 1gm1 s ASP 63 Ca 0.00 1.61 -0.06 0.00 0.71 0.00 0.00 52.55 54.81 1gm1 s ASP 63 Cb 0.00 -2.50 -0.02 0.00 1.01 0.00 0.00 42.92 41.41 1gm1 s ASP 63 CO 0.00 -1.22 0.03 -0.60 0.21 0.00 0.00 175.17 173.59 1gm1 s ARG 64 N -4.82 3.52 -0.15 8.23 3.00 0.02 -0.68 118.95 128.06 1gm1 s ARG 64 Ca 0.59 -0.56 -0.24 0.00 -1.00 0.00 0.00 55.73 54.52 1gm1 s ARG 64 Cb -0.13 -3.22 -0.02 0.00 0.00 0.00 0.00 34.95 31.57 1gm1 s ARG 64 CO 0.50 -0.21 0.78 0.08 0.00 0.00 0.00 175.30 176.45 1gm1 s VAL 65 N 1.56 4.93 -0.18 7.11 1.01 0.31 -0.48 120.40 134.66 1gm1 s VAL 65 Ca 0.06 1.55 -0.10 0.00 0.00 0.00 0.00 61.98 63.49 1gm1 s VAL 65 Cb -0.15 -4.10 -0.08 0.00 0.00 0.00 0.00 36.38 32.06 1gm1 s VAL 65 CO 0.01 0.08 -0.24 0.18 0.00 0.00 0.00 175.10 175.13 1gm1 n LEU 66 N 4.93 1.38 -3.74 3.92 4.77 -0.96 -4.40 117.00 122.90 1gm1 n LEU 66 Ca 0.03 0.24 -0.13 0.00 -0.03 0.00 0.00 56.01 56.12 1gm1 n LEU 66 Cb 0.49 -0.56 -0.11 0.00 -2.33 0.00 0.00 43.42 40.91 1gm1 n LEU 66 CO 0.47 0.27 0.03 0.00 -1.33 0.00 0.00 177.39 176.84 1gm1 s ALA 67 N -2.39 -0.91 -0.36 -1.18 0.00 -0.43 -0.54 121.76 115.97 1gm1 s ALA 67 Ca -0.25 1.09 -0.07 0.00 0.00 0.00 0.00 51.96 52.73 1gm1 s ALA 67 Cb 0.09 -0.64 0.05 0.00 0.00 0.00 0.00 23.12 22.62 1gm1 s ALA 67 CO 0.33 -0.19 0.14 0.54 0.00 0.00 0.00 175.76 176.58 1gm1 s VAL 68 N 0.39 3.91 -1.48 0.00 0.11 0.28 -1.12 120.40 122.48 1gm1 s VAL 68 Ca -0.02 -1.19 -0.07 0.00 -2.93 0.00 0.00 61.98 57.77 1gm1 s VAL 68 Cb -0.04 -3.26 0.02 0.00 -1.53 0.00 0.00 36.38 31.57 1gm1 s VAL 68 CO -0.02 -0.26 0.79 -3.20 -3.33 0.00 0.00 175.10 169.09 1gm1 n ASN 69 N 4.84 -5.91 0.00 3.54 5.15 0.66 -0.38 115.26 123.16 1gm1 n ASN 69 Ca -0.12 -0.41 0.00 0.00 -0.60 0.00 0.00 54.58 53.46 1gm1 n ASN 69 Cb 0.44 -4.74 0.00 0.00 -0.53 0.00 0.00 39.78 34.96 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 -1.65 0.61 3.48 8.20 0.00 -1.26 -4.93 105.19 109.63 1gm1 n GLY 70 Ca -0.06 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.58 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 -2.21 4.81 0.04 1.61 1.01 0.49 -5.06 120.40 121.09 1gm1 s VAL 71 Ca 0.00 -0.26 -0.30 0.00 0.00 0.00 0.00 61.98 61.42 1gm1 s VAL 71 Cb 0.00 -3.41 -0.07 0.00 0.00 0.00 0.00 36.38 32.91 1gm1 s VAL 71 CO 0.00 0.11 1.45 -0.94 0.00 0.00 0.00 175.10 175.73 1gm1 s SER 72 N 1.66 6.79 -0.32 3.32 1.04 -1.26 -0.55 113.70 124.38 1gm1 s SER 72 Ca 0.05 2.24 -0.03 0.00 0.48 0.00 0.00 55.95 58.69 1gm1 s SER 72 Cb -0.17 -2.57 0.04 0.00 0.10 0.00 0.00 66.02 63.43 1gm1 s SER 72 CO 0.08 -0.74 2.69 0.18 0.98 0.00 0.00 173.24 176.42 1gm1 n LEU 73 N 5.15 6.20 -4.65 2.42 4.77 0.30 -4.92 117.00 126.27 1gm1 n LEU 73 Ca 0.13 -3.63 -0.40 0.00 -0.03 0.00 0.00 56.01 52.08 1gm1 n LEU 73 Cb 0.43 -1.22 -0.06 0.00 -2.33 0.00 0.00 43.42 40.24 1gm1 n LEU 73 CO 0.59 1.56 0.36 -1.61 -1.33 0.00 0.00 177.39 176.97 1gm1 s GLU 74 N -1.18 4.20 0.00 3.23 2.02 -1.26 -4.04 118.70 121.67 1gm1 s GLU 74 Ca 0.50 0.59 0.00 0.00 0.02 0.00 0.00 54.97 56.08 1gm1 s GLU 74 Cb 0.32 -3.59 0.00 0.00 0.10 0.00 0.00 34.13 30.96 1gm1 s GLU 74 CO -0.12 -0.26 0.00 0.41 0.02 0.00 0.00 175.26 175.32 1gm1 n GLY 75 N 3.86 0.89 3.77 -1.39 0.00 -1.26 -5.02 105.19 106.04 1gm1 n GLY 75 Ca -0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.70 1gm1 n GLY 75 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1gm1 s ALA 76 N -3.56 2.08 0.81 4.61 0.00 -1.26 -4.64 121.76 119.80 1gm1 s ALA 76 Ca 0.00 0.01 -0.10 0.00 0.00 0.00 0.00 51.96 51.87 1gm1 s ALA 76 Cb 0.00 -3.19 0.12 0.00 0.00 0.00 0.00 23.12 20.05 1gm1 s ALA 76 CO 0.00 -1.87 1.14 0.95 0.00 0.00 0.00 175.76 175.98 1gm1 s THR 77 N -3.00 2.11 0.11 0.00 -4.23 -1.26 -1.85 115.64 107.52 1gm1 s THR 77 Ca 0.61 -0.18 -0.26 0.00 -1.18 0.00 0.00 61.69 60.68 1gm1 s THR 77 Cb -0.16 -2.93 -0.09 0.00 1.34 0.00 0.00 72.50 70.65 1gm1 s THR 77 CO 0.56 0.00 1.66 -0.74 -0.54 0.00 0.00 174.62 175.55 1gm1 h HIS 78 N -1.01 -0.55 -0.40 3.99 2.76 -1.87 -3.23 115.15 114.84 1gm1 h HIS 78 Ca -0.43 0.01 0.01 0.00 -2.20 0.00 0.00 60.37 57.76 1gm1 h HIS 78 Cb 1.29 0.23 -0.02 0.00 1.55 0.00 0.00 27.41 30.45 1gm1 h HIS 78 CO -0.23 -0.30 0.24 0.87 -1.30 0.00 0.00 177.93 177.21 1gm1 h LYS 79 N -0.40 0.48 -0.34 5.26 6.56 -1.95 -3.10 116.57 123.08 1gm1 h LYS 79 Ca 0.02 -0.03 0.05 0.00 -1.06 0.00 0.00 60.65 59.63 1gm1 h LYS 79 Cb 0.42 -0.11 -0.04 0.00 -0.57 0.00 0.00 32.23 31.92 1gm1 h LYS 79 CO -0.11 0.32 0.07 0.37 -2.06 0.00 0.00 179.45 178.04 1gm1 h GLN 80 N 0.50 0.19 -0.76 3.15 -0.00 -1.95 0.17 115.11 116.41 1gm1 h GLN 80 Ca 0.15 -0.01 -0.00 0.00 -0.00 0.00 0.00 58.65 58.79 1gm1 h GLN 80 Cb -0.02 -0.04 -0.04 0.00 0.00 0.00 0.00 27.48 27.39 1gm1 h GLN 80 CO -0.06 0.12 0.46 0.00 0.00 0.00 0.00 178.83 179.36 1gm1 h ALA 81 N 1.25 0.97 -0.07 3.38 0.00 -1.60 -0.77 119.26 122.43 1gm1 h ALA 81 Ca 0.16 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 54.97 1gm1 h ALA 81 Cb 0.18 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 17.66 1gm1 h ALA 81 CO -0.21 0.44 -0.00 0.28 0.00 0.00 0.00 179.25 179.76 1gm1 h VAL 82 N 1.04 1.25 -0.36 0.00 2.07 -1.23 0.57 116.25 119.60 1gm1 h VAL 82 Ca 0.27 -0.79 0.00 0.00 0.82 0.00 0.00 66.70 67.01 1gm1 h VAL 82 Cb -0.04 1.64 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1gm1 h VAL 82 CO -0.05 0.22 0.23 -0.33 0.02 0.00 0.00 177.57 177.66 1gm1 h GLU 83 N -0.16 0.48 -0.61 1.57 5.08 -0.64 0.32 114.58 120.63 1gm1 h GLU 83 Ca 0.02 -0.04 0.01 0.00 -1.00 0.00 0.00 59.36 58.35 1gm1 h GLU 83 Cb 0.34 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.46 1gm1 h GLU 83 CO 0.00 0.34 0.40 1.15 -1.00 0.00 0.00 179.01 179.91 1gm1 h THR 84 N 0.48 1.16 -0.17 1.13 2.02 -1.12 -1.15 112.91 115.25 1gm1 h THR 84 Ca 0.13 -0.29 -0.13 0.00 0.77 0.00 0.00 66.41 66.90 1gm1 h THR 84 Cb -0.03 0.26 -0.01 0.00 -1.74 0.00 0.00 68.15 66.63 1gm1 h THR 84 CO -0.03 0.15 -0.44 -0.07 0.37 0.00 0.00 175.52 175.50 1gm1 h LEU 85 N 0.82 0.44 -0.31 2.58 3.38 -0.48 -3.09 115.31 118.65 1gm1 h LEU 85 Ca 0.22 -0.20 -0.19 0.00 0.09 0.00 0.00 57.88 57.80 1gm1 h LEU 85 Cb -0.09 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.53 1gm1 h LEU 85 CO -0.05 0.83 -0.62 0.08 0.09 0.00 0.00 178.44 178.77 1gm1 h ARG 86 N 0.34 0.77 -1.97 1.13 0.11 -0.85 -3.28 114.38 110.63 1gm1 h ARG 86 Ca 0.03 -0.53 -0.29 0.00 0.10 0.00 0.00 59.98 59.29 1gm1 h ARG 86 Cb 0.91 0.08 -0.11 0.00 1.11 0.00 0.00 29.97 31.96 1gm1 h ARG 86 CO 0.08 1.15 -0.03 -1.71 0.10 0.00 0.00 179.97 179.56 1gm1 n ASN 87 N -3.97 5.76 -4.92 0.08 5.15 -0.44 -4.88 115.26 112.04 1gm1 n ASN 87 Ca -0.05 -2.76 -0.31 0.00 -0.60 0.00 0.00 54.58 50.86 1gm1 n ASN 87 Cb 0.66 -1.30 -0.04 0.00 -0.53 0.00 0.00 39.78 38.57 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 -0.44 5.36 0.00 -0.44 -4.23 -1.23 -4.92 115.64 109.74 1gm1 s THR 88 Ca 0.56 -0.38 0.00 0.00 -1.18 0.00 0.00 61.69 60.69 1gm1 s THR 88 Cb 0.31 -3.64 0.00 0.00 1.34 0.00 0.00 72.50 70.51 1gm1 s THR 88 CO -0.08 0.11 0.00 0.61 -0.54 0.00 0.00 174.62 174.72 1gm1 n GLY 89 N 0.19 -1.31 0.11 3.99 0.00 -1.26 -5.00 105.19 101.91 1gm1 n GLY 89 Ca -0.05 -1.57 -0.13 0.00 0.00 0.00 0.00 46.02 44.27 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 0.23 -4.91 1.61 4.15 -1.95 -3.42 115.11 110.82 1gm1 h GLN 90 Ca 0.00 -0.11 -0.66 0.00 0.77 0.00 0.00 58.65 58.65 1gm1 h GLN 90 Cb 0.00 -0.00 -0.23 0.00 0.21 0.00 0.00 27.48 27.46 1gm1 h GLN 90 CO 0.00 0.61 -0.62 0.08 -1.93 0.00 0.00 178.83 176.98 1gm1 s VAL 91 N -4.44 4.29 -0.16 2.39 1.01 -1.26 -1.24 120.40 121.00 1gm1 s VAL 91 Ca -0.15 -0.28 0.00 0.00 0.00 0.00 0.00 61.98 61.56 1gm1 s VAL 91 Cb 0.04 -3.06 0.02 0.00 0.00 0.00 0.00 36.38 33.39 1gm1 s VAL 91 CO 0.72 0.27 -0.14 -0.69 0.00 0.00 0.00 175.10 175.26 1gm1 s VAL 92 N 1.60 1.62 -0.57 2.92 1.01 0.16 -4.98 120.40 122.16 1gm1 s VAL 92 Ca 0.06 -0.71 -0.12 0.00 0.00 0.00 0.00 61.98 61.21 1gm1 s VAL 92 Cb -0.16 -1.54 0.14 0.00 0.00 0.00 0.00 36.38 34.83 1gm1 s VAL 92 CO 0.04 0.43 0.49 -2.28 0.00 0.00 0.00 175.10 173.77 1gm1 s HIS 93 N 1.46 3.42 0.16 5.22 2.46 -1.26 -0.64 115.29 126.10 1gm1 s HIS 93 Ca 0.04 -1.73 -0.08 0.00 0.47 0.00 0.00 55.06 53.76 1gm1 s HIS 93 Cb -0.13 -3.66 -0.06 0.00 -0.13 0.00 0.00 32.58 28.60 1gm1 s HIS 93 CO -0.11 -0.99 0.45 -0.51 -2.47 0.00 0.00 174.74 171.11 1gm1 s LEU 94 N 1.14 4.26 -0.08 8.88 1.43 0.81 -0.25 118.68 134.87 1gm1 s LEU 94 Ca 0.08 0.77 0.02 0.00 -1.03 0.00 0.00 54.13 53.97 1gm1 s LEU 94 Cb -0.24 -3.35 0.01 0.00 0.03 0.00 0.00 46.19 42.64 1gm1 s LEU 94 CO -0.01 0.04 -0.13 -0.22 0.23 0.00 0.00 176.35 176.26 1gm1 s LEU 95 N -2.50 1.63 0.22 1.79 1.98 -0.28 -0.16 118.68 121.36 1gm1 s LEU 95 Ca 0.41 -0.34 -0.07 0.00 -2.89 0.00 0.00 54.13 51.24 1gm1 s LEU 95 Cb -0.12 -0.90 -0.02 0.00 0.66 0.00 0.00 46.19 45.80 1gm1 s LEU 95 CO 0.22 0.02 0.30 -1.48 -1.89 0.00 0.00 176.35 173.52 1gm1 s LEU 96 N 0.83 0.75 -0.11 -0.68 -0.00 -0.81 -1.31 118.68 117.35 1gm1 s LEU 96 Ca -0.11 -1.13 0.01 0.00 -0.00 0.00 0.00 54.13 52.90 1gm1 s LEU 96 Cb -0.15 1.09 -0.01 0.00 -0.00 0.00 0.00 46.19 47.12 1gm1 s LEU 96 CO 0.02 -0.98 -0.16 -0.70 -0.00 0.00 0.00 176.35 174.52 1gm1 s GLU 97 N -4.08 3.16 0.52 1.48 2.12 0.37 -1.80 118.70 120.47 1gm1 s GLU 97 Ca 0.29 -0.74 -0.17 0.00 0.36 0.00 0.00 54.97 54.72 1gm1 s GLU 97 Cb 0.03 -2.51 -0.07 0.00 0.26 0.00 0.00 34.13 31.84 1gm1 s GLU 97 CO 0.10 0.27 1.00 0.21 -0.54 0.00 0.00 175.26 176.30 1gm1 s LYS 98 N 0.18 3.84 -1.12 4.30 2.36 0.43 -0.80 119.74 128.92 1gm1 s LYS 98 Ca -0.09 1.04 -0.17 0.00 -2.55 0.00 0.00 55.97 54.20 1gm1 s LYS 98 Cb -0.15 -2.12 0.13 0.00 -1.05 0.00 0.00 37.83 34.64 1gm1 s LYS 98 CO 0.06 -0.37 1.38 0.20 1.55 0.00 0.00 175.35 178.17 1gm1 s GLY 99 N -2.89 2.05 -0.11 5.54 0.00 -1.26 -4.79 107.32 105.86 1gm1 s GLY 99 Ca 0.60 -3.02 -0.28 0.00 0.00 0.00 0.00 44.72 42.02 1gm1 s GLY 99 CO 0.30 2.19 0.87 -1.61 0.00 0.00 0.00 173.10 174.85 1gm1 h GLN 100 N 7.96 0.03 -4.32 2.90 4.15 -1.93 -3.46 115.11 120.44 1gm1 h GLN 100 Ca 0.28 -0.04 -0.50 0.00 0.77 0.00 0.00 58.65 59.15 1gm1 h GLN 100 Cb 0.93 0.01 -0.35 0.00 0.21 0.00 0.00 27.48 28.29 1gm1 h GLN 100 CO 1.25 0.94 -0.80 0.54 -1.93 0.00 0.00 178.83 178.82 1gm1 s VAL 101 N -2.59 0.97 -2.31 2.39 0.11 -1.26 -4.77 120.40 112.94 1gm1 s VAL 101 Ca -0.18 -0.33 0.30 0.00 -2.93 0.00 0.00 61.98 58.83 1gm1 s VAL 101 Cb -0.02 -0.94 0.69 0.00 -1.53 0.00 0.00 36.38 34.58 1gm1 s VAL 101 CO 0.70 0.33 1.93 -0.81 -3.33 0.00 0.00 175.10 173.93