#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gla n GLN 41 N 0.00 0.92 -3.88 0.00 10.64 -0.37 -4.91 117.38 119.78 3gla n GLN 41 Ca 0.00 -0.58 -0.09 0.00 -1.83 0.00 0.00 57.00 54.50 3gla n GLN 41 Cb 0.00 -1.49 -0.07 0.00 -0.86 0.00 0.00 30.24 27.83 3gla n GLN 41 CO 0.00 0.00 0.00 1.67 -1.83 0.00 0.00 177.06 176.90 3gla s TRP 42 N -2.48 0.23 -0.39 2.61 1.48 -1.14 -4.85 118.94 114.40 3gla s TRP 42 Ca 0.24 -0.61 0.01 0.00 -1.06 0.00 0.00 56.10 54.69 3gla s TRP 42 Cb 0.19 0.01 0.12 0.00 -1.16 0.00 0.00 33.47 32.64 3gla s TRP 42 CO 0.52 -0.69 0.19 0.08 -4.06 0.00 0.00 176.95 172.98 3gla s VAL 43 N -3.92 1.20 0.54 -0.66 1.01 -1.26 -4.53 120.40 112.78 3gla s VAL 43 Ca 0.12 -2.16 -0.21 0.00 0.00 0.00 0.00 61.98 59.73 3gla s VAL 43 Cb 0.03 -1.86 -0.05 0.00 0.00 0.00 0.00 36.38 34.50 3gla s VAL 43 CO -0.04 -0.83 1.23 -2.84 0.00 0.00 0.00 175.10 172.62 3gla s PRO 44 N 0.78 3.28 0.23 2.72 0.02 -1.26 -4.92 135.00 135.84 3gla s PRO 44 Ca 0.15 1.89 -0.30 0.00 0.02 0.00 0.00 61.00 62.77 3gla s PRO 44 Cb -0.22 -2.16 -0.09 0.00 0.02 0.00 0.00 34.50 32.05 3gla s PRO 44 CO -0.07 -0.98 1.08 1.03 -0.33 0.00 0.00 177.00 177.73 3gla s ARG 45 N -3.03 4.65 -0.04 5.54 1.81 -1.26 -4.89 118.95 121.73 3gla s ARG 45 Ca 0.71 1.72 -0.00 0.00 -1.72 0.00 0.00 55.73 56.45 3gla s ARG 45 Cb -0.32 -3.24 0.03 0.00 -0.45 0.00 0.00 34.95 30.97 3gla s ARG 45 CO 0.37 0.19 0.00 0.08 -0.68 0.00 0.00 175.30 175.25 3gla s VAL 46 N -0.74 0.23 0.11 3.52 1.01 -1.26 -0.43 120.40 122.84 3gla s VAL 46 Ca 0.46 0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.58 3gla s VAL 46 Cb -0.30 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.69 3gla s VAL 46 CO 0.37 0.18 0.16 -1.81 0.00 0.00 0.00 175.10 174.00 3gla s ASP 47 N 1.33 5.88 -0.03 3.32 1.01 0.24 -4.94 116.67 123.49 3gla s ASP 47 Ca -0.05 0.06 0.01 0.00 0.71 0.00 0.00 52.55 53.28 3gla s ASP 47 Cb -0.13 -1.67 0.02 0.00 1.01 0.00 0.00 42.92 42.15 3gla s ASP 47 CO -0.02 0.13 -0.03 -0.63 0.21 0.00 0.00 175.17 174.82 3gla s ILE 48 N -1.56 0.40 0.04 0.77 1.01 -1.26 -0.17 121.20 120.43 3gla s ILE 48 Ca 0.32 -0.09 0.05 0.00 0.00 0.00 0.00 60.65 60.92 3gla s ILE 48 Cb -0.12 -0.43 -0.02 0.00 0.01 0.00 0.00 42.46 41.90 3gla s ILE 48 CO 0.25 0.17 -0.14 -0.75 0.00 0.00 0.00 174.94 174.48 3gla s LYS 49 N 0.67 0.88 -0.30 2.79 2.20 0.02 -4.98 119.74 121.01 3gla s LYS 49 Ca -0.08 -0.78 -0.03 0.00 -0.36 0.00 0.00 55.97 54.72 3gla s LYS 49 Cb -0.11 -0.87 0.04 0.00 -1.51 0.00 0.00 37.83 35.38 3gla s LYS 49 CO -0.00 0.21 0.03 -2.00 -0.36 0.00 0.00 175.35 173.22 3gla s GLU 50 N -1.26 2.55 0.56 4.03 2.12 -1.26 -0.93 118.70 124.52 3gla s GLU 50 Ca 0.00 -1.19 -0.03 0.00 0.36 0.00 0.00 54.97 54.11 3gla s GLU 50 Cb -0.08 -3.24 0.12 0.00 0.26 0.00 0.00 34.13 31.18 3gla s GLU 50 CO 0.01 -0.60 0.77 0.39 -0.54 0.00 0.00 175.26 175.29 3gla n GLU 51 N 4.69 -0.19 -0.27 4.30 -0.58 0.12 -4.99 120.64 123.73 3gla n GLU 51 Ca -0.13 -1.77 -0.05 0.00 -0.42 0.00 0.00 57.16 54.78 3gla n GLU 51 Cb 0.44 -0.61 0.09 0.00 -0.57 0.00 0.00 31.44 30.79 3gla n GLU 51 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 3gla h VAL 52 N -0.83 1.26 0.00 2.62 2.07 -2.03 -3.23 116.25 116.11 3gla h VAL 52 Ca -0.25 -0.82 0.00 0.00 0.82 0.00 0.00 66.70 66.45 3gla h VAL 52 Cb 0.85 0.35 0.00 0.00 -1.52 0.00 0.00 31.29 30.97 3gla h VAL 52 CO 0.24 0.33 -0.10 -0.46 0.02 0.00 0.00 177.57 177.60 3gla n ASN 53 N -4.28 1.69 -3.64 0.57 2.04 -1.26 -4.93 115.26 105.46 3gla n ASN 53 Ca 0.07 -2.57 -0.06 0.00 -0.44 0.00 0.00 54.58 51.57 3gla n ASN 53 Cb 0.19 -0.29 -0.02 0.00 -2.53 0.00 0.00 39.78 37.13 3gla n ASN 53 CO 0.00 0.00 0.00 -1.38 -0.44 0.00 0.00 177.26 175.44 3gla s HIS 54 N -1.83 -0.26 0.21 -2.53 -3.43 -1.22 -0.56 115.29 105.68 3gla s HIS 54 Ca 0.19 0.01 0.07 0.00 -0.80 0.00 0.00 55.06 54.53 3gla s HIS 54 Cb 0.16 0.60 -0.04 0.00 -1.43 0.00 0.00 32.58 31.87 3gla s HIS 54 CO 0.02 -0.76 0.10 -0.06 -2.00 0.00 0.00 174.74 172.03 3gla s PHE 55 N -3.33 2.98 -0.01 0.38 0.08 0.23 0.13 117.98 118.45 3gla s PHE 55 Ca 0.08 -0.11 0.02 0.00 0.12 0.00 0.00 56.93 57.04 3gla s PHE 55 Cb -0.02 -1.39 -0.00 0.00 -0.57 0.00 0.00 43.02 41.05 3gla s PHE 55 CO -0.03 0.54 -0.07 0.08 -0.10 0.00 0.00 175.22 175.64 3gla s VAL 56 N -1.97 0.54 -0.04 -0.44 1.01 -0.10 -1.07 120.40 118.32 3gla s VAL 56 Ca 0.31 -0.27 0.06 0.00 0.00 0.00 0.00 61.98 62.08 3gla s VAL 56 Cb -0.09 -0.47 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 3gla s VAL 56 CO 0.22 0.16 -0.24 -0.76 0.00 0.00 0.00 175.10 174.48 3gla s LEU 57 N -0.02 2.15 -0.20 3.92 1.02 0.79 -0.80 118.68 125.55 3gla s LEU 57 Ca 0.01 -0.46 0.01 0.00 0.02 0.00 0.00 54.13 53.71 3gla s LEU 57 Cb -0.04 -1.38 0.03 0.00 0.02 0.00 0.00 46.19 44.82 3gla s LEU 57 CO -0.00 0.29 -0.15 -0.31 0.02 0.00 0.00 176.35 176.20 3gla s TYR 58 N -0.40 2.68 -0.13 0.29 2.02 0.76 -0.39 117.35 122.18 3gla s TYR 58 Ca 0.04 -1.70 0.02 0.00 -0.37 0.00 0.00 57.07 55.05 3gla s TYR 58 Cb -0.12 -1.79 -0.00 0.00 -0.40 0.00 0.00 41.96 39.65 3gla s TYR 58 CO 0.01 -0.78 -0.19 0.00 -1.57 0.00 0.00 175.55 173.02 3gla s ALA 59 N 1.31 2.37 -0.54 3.71 0.00 0.55 -0.59 121.76 128.57 3gla s ALA 59 Ca 0.00 -1.01 -0.26 0.00 0.00 0.00 0.00 51.96 50.70 3gla s ALA 59 Cb -0.15 -1.05 0.04 0.00 0.00 0.00 0.00 23.12 21.95 3gla s ALA 59 CO -0.10 0.11 1.03 -0.51 0.00 0.00 0.00 175.76 176.29 3gla s ASP 60 N 0.60 6.41 -0.48 0.00 1.01 0.43 -0.39 116.67 124.25 3gla s ASP 60 Ca -0.11 -0.10 0.08 0.00 0.71 0.00 0.00 52.55 53.14 3gla s ASP 60 Cb -0.16 -2.48 0.32 0.00 1.01 0.00 0.00 42.92 41.60 3gla s ASP 60 CO 0.03 -1.28 0.77 0.18 0.21 0.00 0.00 175.17 175.08 3gla n LEU 61 N 7.75 2.38 -4.76 1.23 4.77 0.16 -4.23 117.00 124.30 3gla n LEU 61 Ca 0.05 -5.25 -0.39 0.00 -0.03 0.00 0.00 56.01 50.39 3gla n LEU 61 Cb 0.48 0.08 0.00 0.00 -2.33 0.00 0.00 43.42 41.66 3gla n LEU 61 CO 0.67 2.25 0.95 -2.16 -1.33 0.00 0.00 177.39 177.76 3gla s PRO 62 N -2.60 3.76 0.00 3.23 0.04 -1.16 -3.40 135.00 134.87 3gla s PRO 62 Ca 0.42 2.11 0.00 0.00 0.04 0.00 0.00 61.00 63.57 3gla s PRO 62 Cb 0.27 -2.59 0.00 0.00 0.04 0.00 0.00 34.50 32.22 3gla s PRO 62 CO -0.09 -0.65 0.00 0.41 0.04 0.00 0.00 177.00 176.71 3gla n GLY 63 N 0.63 0.69 2.91 0.56 0.00 -1.26 -5.02 105.19 103.70 3gla n GLY 63 Ca 0.06 -0.30 -0.19 0.00 0.00 0.00 0.00 46.02 45.58 3gla n GLY 63 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 64 N -2.00 0.53 0.20 -0.61 1.01 -1.22 -4.59 121.20 114.53 3gla s ILE 64 Ca 0.00 -0.16 -0.30 0.00 0.00 0.00 0.00 60.65 60.19 3gla s ILE 64 Cb 0.00 -0.53 -0.09 0.00 0.01 0.00 0.00 42.46 41.85 3gla s ILE 64 CO 0.00 0.21 1.28 -1.81 0.00 0.00 0.00 174.94 174.62 3gla s ASP 65 N 0.66 6.93 0.55 3.58 1.01 -1.26 -4.88 116.67 123.27 3gla s ASP 65 Ca -0.09 2.38 0.30 0.00 0.71 0.00 0.00 52.55 55.85 3gla s ASP 65 Cb -0.12 -2.61 1.46 0.00 1.01 0.00 0.00 42.92 42.66 3gla s ASP 65 CO 0.00 -0.49 1.91 -0.65 0.21 0.00 0.00 175.17 176.16 3gla h PRO 66 N 5.23 0.00 0.00 8.23 0.11 -1.94 0.25 132.00 143.87 3gla h PRO 66 Ca -0.45 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.66 3gla h PRO 66 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 3gla h PRO 66 CO 0.76 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 179.21 3gla h SER 67 N 0.00 0.00 -0.04 -2.05 4.64 -1.98 -1.67 113.55 112.44 3gla h SER 67 Ca 0.34 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.66 3gla h SER 67 Cb 1.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.54 3gla h SER 67 CO -0.00 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 175.96 3gla n GLN 68 N -2.67 1.59 -3.78 4.77 1.13 0.07 -4.83 117.38 113.66 3gla n GLN 68 Ca 0.02 -0.86 -0.36 0.00 -1.94 0.00 0.00 57.00 53.86 3gla n GLN 68 Cb 0.28 -1.46 -0.10 0.00 0.11 0.00 0.00 30.24 29.07 3gla n GLN 68 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 3gla s ILE 69 N -1.96 5.08 -0.22 5.09 1.01 -0.63 -4.46 121.20 125.10 3gla s ILE 69 Ca 0.38 0.08 -0.10 0.00 0.00 0.00 0.00 60.65 61.01 3gla s ILE 69 Cb 0.20 -3.34 -0.05 0.00 0.01 0.00 0.00 42.46 39.28 3gla s ILE 69 CO 0.32 0.39 0.14 -0.70 0.00 0.00 0.00 174.94 175.09 3gla s GLU 70 N 0.85 4.09 -0.14 2.79 2.12 0.83 -4.90 118.70 124.34 3gla s GLU 70 Ca 0.06 -0.27 0.02 0.00 0.36 0.00 0.00 54.97 55.15 3gla s GLU 70 Cb -0.13 -3.47 0.01 0.00 0.26 0.00 0.00 34.13 30.80 3gla s GLU 70 CO 0.03 0.15 -0.20 0.08 -0.54 0.00 0.00 175.26 174.77 3gla s VAL 71 N 0.79 1.92 0.18 3.70 1.01 -1.26 -0.45 120.40 126.28 3gla s VAL 71 Ca 0.07 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.05 3gla s VAL 71 Cb -0.13 -1.71 0.00 0.00 0.00 0.00 0.00 36.38 34.54 3gla s VAL 71 CO 0.02 0.52 0.36 0.00 0.00 0.00 0.00 175.10 176.00 3gla s GLN 72 N 0.92 1.23 -0.05 2.72 -2.07 -0.71 -4.98 119.66 116.71 3gla s GLN 72 Ca -0.05 -1.09 0.05 0.00 -1.82 0.00 0.00 55.36 52.45 3gla s GLN 72 Cb -0.15 0.42 -0.01 0.00 -1.09 0.00 0.00 33.01 32.18 3gla s GLN 72 CO -0.03 -0.48 -0.22 -1.64 -1.32 0.00 0.00 175.29 171.60 3gla s MET 73 N -3.94 2.26 -0.04 9.60 -1.94 -1.26 0.14 119.30 124.12 3gla s MET 73 Ca 0.15 -0.80 -0.01 0.00 -1.71 0.00 0.00 55.69 53.32 3gla s MET 73 Cb 0.02 -1.93 0.03 0.00 2.01 0.00 0.00 34.83 34.95 3gla s MET 73 CO -0.00 0.33 0.04 0.34 -0.01 0.00 0.00 175.02 175.71 3gla s ASP 74 N -0.09 1.05 -1.47 3.03 2.15 -0.14 -4.84 116.67 116.35 3gla s ASP 74 Ca -0.04 0.03 -0.00 0.00 0.43 0.00 0.00 52.55 52.97 3gla s ASP 74 Cb -0.13 -0.21 0.00 0.00 -0.30 0.00 0.00 42.92 42.29 3gla s ASP 74 CO 0.03 -0.21 0.25 0.29 -0.17 0.00 0.00 175.17 175.36 3gla n LYS 75 N 5.02 -2.33 0.00 4.34 4.76 -1.26 -0.77 118.16 127.92 3gla n LYS 75 Ca -0.09 0.28 0.00 0.00 -2.87 0.00 0.00 58.31 55.63 3gla n LYS 75 Cb 0.50 -4.15 0.00 0.00 -1.84 0.00 0.00 35.03 29.54 3gla n LYS 75 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3gla n GLY 76 N -2.22 2.44 3.66 0.72 0.00 -1.26 -5.01 105.19 103.52 3gla n GLY 76 Ca -0.32 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.32 3gla n GLY 76 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 77 N -2.36 5.17 -0.19 -0.61 -1.09 0.05 -1.92 121.20 120.24 3gla s ILE 77 Ca 0.00 0.78 -0.18 0.00 -2.23 0.00 0.00 60.65 59.02 3gla s ILE 77 Cb 0.00 -3.76 -0.03 0.00 -1.58 0.00 0.00 42.46 37.08 3gla s ILE 77 CO 0.00 0.22 0.50 -0.22 -1.23 0.00 0.00 174.94 174.22 3gla s LEU 78 N 1.45 4.16 0.02 2.97 1.98 0.90 -0.97 118.68 129.18 3gla s LEU 78 Ca 0.20 0.67 0.07 0.00 -2.89 0.00 0.00 54.13 52.18 3gla s LEU 78 Cb -0.15 -2.69 -0.03 0.00 0.66 0.00 0.00 46.19 43.98 3gla s LEU 78 CO 0.09 -0.16 -0.20 -0.94 -1.89 0.00 0.00 176.35 173.25 3gla s SER 79 N 1.11 3.60 -0.15 3.68 1.04 0.12 -0.76 113.70 122.33 3gla s SER 79 Ca 0.24 -0.42 0.00 0.00 0.48 0.00 0.00 55.95 56.24 3gla s SER 79 Cb -0.15 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.45 3gla s SER 79 CO 0.09 0.28 -0.12 -0.63 0.98 0.00 0.00 173.24 173.85 3gla s ILE 80 N -0.82 1.48 0.04 -1.02 1.01 0.81 -1.75 121.20 120.96 3gla s ILE 80 Ca 0.13 -0.66 0.00 0.00 0.00 0.00 0.00 60.65 60.12 3gla s ILE 80 Cb -0.10 -1.45 -0.03 0.00 0.01 0.00 0.00 42.46 40.89 3gla s ILE 80 CO 0.03 0.37 -0.04 -0.60 0.00 0.00 0.00 174.94 174.69 3gla s ARG 81 N 1.51 0.46 0.00 2.79 3.52 0.40 -0.18 118.95 127.45 3gla s ARG 81 Ca 0.04 -0.81 0.00 0.00 -0.13 0.00 0.00 55.73 54.82 3gla s ARG 81 Cb -0.14 0.02 0.00 0.00 -1.56 0.00 0.00 34.95 33.27 3gla s ARG 81 CO -0.10 -0.04 0.00 0.41 -0.81 0.00 0.00 175.30 174.77 3gla n GLY 82 N 1.16 -1.24 2.70 8.12 0.00 -0.85 -0.12 105.19 114.96 3gla n GLY 82 Ca -0.21 -0.97 -0.20 0.00 0.00 0.00 0.00 46.02 44.64 3gla n GLY 82 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3gla s GLU 83 N -0.86 0.02 -0.15 1.61 2.12 -1.26 -0.83 118.70 119.34 3gla s GLU 83 Ca 0.00 0.32 -0.09 0.00 0.36 0.00 0.00 54.97 55.56 3gla s GLU 83 Cb 0.00 -0.54 -0.05 0.00 0.26 0.00 0.00 34.13 33.80 3gla s GLU 83 CO 0.00 -0.31 0.16 0.50 -0.54 0.00 0.00 175.26 175.08 3gla s ARG 84 N 2.01 3.86 0.26 4.30 3.52 0.99 -4.91 118.95 128.97 3gla s ARG 84 Ca 0.03 -0.12 -0.01 0.00 -0.13 0.00 0.00 55.73 55.49 3gla s ARG 84 Cb -0.12 -3.31 -0.04 0.00 -1.56 0.00 0.00 34.95 29.91 3gla s ARG 84 CO -0.03 0.52 0.47 0.15 -0.81 0.00 0.00 175.30 175.60 3gla s LYS 85 N -0.30 3.54 0.02 5.12 -0.14 -1.26 -0.03 119.74 126.69 3gla s LYS 85 Ca 0.12 -0.25 0.00 0.00 -1.36 0.00 0.00 55.97 54.49 3gla s LYS 85 Cb -0.12 -2.75 -0.02 0.00 -1.68 0.00 0.00 37.83 33.27 3gla s LYS 85 CO 0.02 0.30 -0.03 0.45 -0.76 0.00 0.00 175.35 175.32 3gla s SER 86 N -3.37 0.33 0.60 2.83 0.15 -1.26 -4.89 113.70 108.10 3gla s SER 86 Ca 0.40 -0.41 0.32 0.00 0.70 0.00 0.00 55.95 56.96 3gla s SER 86 Cb -0.11 0.06 1.87 0.00 -1.71 0.00 0.00 66.02 66.14 3gla s SER 86 CO 0.31 -0.22 2.24 -0.33 1.20 0.00 0.00 173.24 176.44 3gla h GLU 87 N 4.93 0.00 0.00 5.44 3.07 -1.99 -1.91 114.58 124.12 3gla h GLU 87 Ca -0.31 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.55 3gla h GLU 87 Cb 1.21 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 29.12 3gla h GLU 87 CO 0.43 0.00 0.00 -1.13 -1.40 0.00 0.00 179.01 176.91 3gla n SER 88 N -3.72 0.00 0.01 1.42 3.41 -1.26 -1.61 113.62 111.88 3gla n SER 88 Ca -0.02 -0.19 0.13 0.00 -0.26 0.00 0.00 58.87 58.53 3gla n SER 88 Cb 0.13 -0.22 0.38 0.00 -0.26 0.00 0.00 64.21 64.25 3gla n SER 88 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 3gla n SER 89 N -1.22 0.37 -4.47 4.04 3.41 -0.72 -4.09 113.62 110.95 3gla n SER 89 Ca 0.12 0.12 -0.34 0.00 -0.26 0.00 0.00 58.87 58.50 3gla n SER 89 Cb 0.15 -0.10 -0.12 0.00 -0.26 0.00 0.00 64.21 63.88 3gla n SER 89 CO 0.00 0.00 0.00 -0.89 -0.16 0.00 0.00 175.04 173.99 3gla s THR 90 N -3.03 3.98 -1.45 6.66 2.01 -0.63 -4.49 115.64 118.69 3gla s THR 90 Ca 0.11 -0.31 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 3gla s THR 90 Cb 0.17 -2.78 0.03 0.00 0.01 0.00 0.00 72.50 69.93 3gla s THR 90 CO 0.64 0.45 0.57 -0.62 -0.69 0.00 0.00 174.62 174.96 3gla n GLU 91 N 3.99 -3.72 -0.27 4.92 1.02 -1.26 -4.84 120.64 120.47 3gla n GLU 91 Ca -0.17 0.45 0.14 0.00 -0.02 0.00 0.00 57.16 57.56 3gla n GLU 91 Cb 0.52 -4.80 0.41 0.00 -0.02 0.00 0.00 31.44 27.55 3gla n GLU 91 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 3gla h THR 92 N -1.81 0.77 0.00 2.62 2.02 -1.79 0.13 112.91 114.85 3gla h THR 92 Ca -0.62 -0.21 0.00 0.00 0.77 0.00 0.00 66.41 66.35 3gla h THR 92 Cb 1.37 0.11 0.00 0.00 -1.74 0.00 0.00 68.15 67.89 3gla h THR 92 CO 0.65 0.11 0.00 1.05 0.37 0.00 0.00 175.52 177.70 3gla h GLU 93 N 0.61 0.00 0.00 6.66 9.09 -1.90 -1.22 114.58 127.83 3gla h GLU 93 Ca 0.47 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.88 3gla h GLU 93 Cb 0.87 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.97 3gla h GLU 93 CO -0.22 0.00 0.00 0.54 0.05 0.00 0.00 179.01 179.38 3gla n ARG 94 N -2.93 0.36 -2.99 1.06 1.74 0.46 -4.78 116.66 109.58 3gla n ARG 94 Ca -0.01 0.01 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 3gla n ARG 94 Cb 0.19 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.09 3gla n ARG 94 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 3gla s PHE 95 N -2.63 3.62 -0.53 -1.55 0.40 -0.46 -4.90 117.98 111.93 3gla s PHE 95 Ca 0.26 1.35 0.23 0.00 -0.60 0.00 0.00 56.93 58.17 3gla s PHE 95 Cb 0.20 -2.85 0.12 0.00 0.51 0.00 0.00 43.02 41.00 3gla s PHE 95 CO 0.46 0.11 1.11 -1.13 0.70 0.00 0.00 175.22 176.47 3gla n SER 96 N 3.61 0.66 -3.70 1.36 3.41 -1.26 -4.84 113.62 112.86 3gla n SER 96 Ca -0.01 0.00 -0.14 0.00 -0.26 0.00 0.00 58.87 58.47 3gla n SER 96 Cb 0.51 0.57 -0.09 0.00 -0.26 0.00 0.00 64.21 64.94 3gla n SER 96 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3gla s ARG 97 N -3.23 0.62 -0.25 4.33 1.70 -1.26 -5.11 118.95 115.75 3gla s ARG 97 Ca 0.03 0.56 -0.03 0.00 -0.47 0.00 0.00 55.73 55.83 3gla s ARG 97 Cb 0.13 0.30 0.08 0.00 -0.57 0.00 0.00 34.95 34.89 3gla s ARG 97 CO 0.78 -0.10 0.08 0.42 -1.08 0.00 0.00 175.30 175.40 3gla s ILE 98 N -0.01 0.45 -0.02 4.99 1.01 -1.26 -4.95 121.20 121.41 3gla s ILE 98 Ca -0.02 -0.81 0.07 0.00 0.00 0.00 0.00 60.65 59.88 3gla s ILE 98 Cb -0.03 -1.17 -0.10 0.00 0.01 0.00 0.00 42.46 41.16 3gla s ILE 98 CO 0.02 -0.46 0.13 -0.62 0.00 0.00 0.00 174.94 174.00 3gla n GLU 99 N 5.05 0.68 -2.86 2.79 1.02 -1.26 -5.02 120.64 121.04 3gla n GLU 99 Ca -0.06 -0.05 -0.41 0.00 -0.02 0.00 0.00 57.16 56.62 3gla n GLU 99 Cb 0.45 -1.17 -0.04 0.00 -0.02 0.00 0.00 31.44 30.65 3gla n GLU 99 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3gla s ARG 100 N -2.43 4.57 0.37 3.49 0.52 -1.26 -5.01 118.95 119.19 3gla s ARG 100 Ca -0.03 1.23 -0.08 0.00 -0.52 0.00 0.00 55.73 56.34 3gla s ARG 100 Cb 0.04 -3.39 -0.06 0.00 0.52 0.00 0.00 34.95 32.06 3gla s ARG 100 CO 0.29 0.18 0.69 1.03 0.02 0.00 0.00 175.30 177.51 3gla s ARG 101 N 0.22 3.69 0.00 3.54 0.52 -1.26 -5.05 118.95 120.61 3gla s ARG 101 Ca 0.43 0.24 0.00 0.00 -0.52 0.00 0.00 55.73 55.89 3gla s ARG 101 Cb -0.21 -2.49 0.00 0.00 0.52 0.00 0.00 34.95 32.77 3gla s ARG 101 CO 0.26 0.04 0.00 2.48 0.02 0.00 0.00 175.30 178.10 3gla n TYR 102 N -1.29 -0.70 0.00 -0.53 4.11 -1.26 -5.03 117.16 112.46 3gla n TYR 102 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 3gla n TYR 102 Cb 0.54 0.00 0.00 0.00 -0.00 0.00 0.00 39.34 39.88 3gla n TYR 102 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.86 177.27 3gla n GLY 103 N 0.00 -1.65 3.79 -7.48 0.00 0.96 -4.33 105.19 96.49 3gla n GLY 103 Ca 0.00 -2.05 -0.35 0.00 0.00 0.00 0.00 46.02 43.62 3gla n GLY 103 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3gla s SER 104 N -4.00 6.45 0.08 1.61 1.04 -1.26 -0.01 113.70 117.61 3gla s SER 104 Ca 0.00 1.96 0.01 0.00 0.48 0.00 0.00 55.95 58.40 3gla s SER 104 Cb 0.00 -2.57 -0.04 0.00 0.10 0.00 0.00 66.02 63.51 3gla s SER 104 CO 0.00 -0.71 -0.06 0.72 0.98 0.00 0.00 173.24 174.17 3gla s PHE 105 N -1.90 0.80 -0.38 5.02 -0.12 -0.01 -1.24 117.98 120.15 3gla s PHE 105 Ca 0.65 -0.87 0.06 0.00 -0.05 0.00 0.00 56.93 56.73 3gla s PHE 105 Cb -0.18 -0.48 0.18 0.00 -0.63 0.00 0.00 43.02 41.91 3gla s PHE 105 CO 0.22 -0.17 0.56 -1.58 -0.05 0.00 0.00 175.22 174.20 3gla s HIS 106 N -3.29 -1.44 0.00 3.49 2.46 -1.25 -2.00 115.29 113.26 3gla s HIS 106 Ca 0.07 0.17 -0.15 0.00 0.47 0.00 0.00 55.06 55.62 3gla s HIS 106 Cb 0.03 0.16 -0.06 0.00 -0.13 0.00 0.00 32.58 32.58 3gla s HIS 106 CO -0.05 -1.12 0.41 1.03 -2.47 0.00 0.00 174.74 172.55 3gla s ARG 107 N 1.94 3.93 -0.00 2.88 1.81 0.75 -4.82 118.95 125.43 3gla s ARG 107 Ca 0.15 0.42 0.03 0.00 -1.72 0.00 0.00 55.73 54.62 3gla s ARG 107 Cb -0.07 -3.22 -0.01 0.00 -0.45 0.00 0.00 34.95 31.19 3gla s ARG 107 CO -0.10 0.68 -0.11 1.03 -0.68 0.00 0.00 175.30 176.12 3gla s ARG 108 N -1.05 0.88 -0.01 3.54 0.52 -1.26 -0.13 118.95 121.43 3gla s ARG 108 Ca 0.24 -0.42 0.00 0.00 -0.52 0.00 0.00 55.73 55.03 3gla s ARG 108 Cb -0.17 -0.85 0.01 0.00 0.52 0.00 0.00 34.95 34.46 3gla s ARG 108 CO 0.13 0.23 -0.01 -0.06 0.02 0.00 0.00 175.30 175.62 3gla s PHE 109 N -0.31 0.17 -0.79 -0.53 0.08 0.06 -4.96 117.98 111.70 3gla s PHE 109 Ca 0.04 -0.00 -0.15 0.00 0.12 0.00 0.00 56.93 56.93 3gla s PHE 109 Cb -0.05 -0.18 0.19 0.00 -0.57 0.00 0.00 43.02 42.41 3gla s PHE 109 CO -0.00 -0.04 0.78 0.00 -0.10 0.00 0.00 175.22 175.86 3gla s ALA 110 N 0.33 3.88 0.63 5.36 0.00 -1.26 -0.07 121.76 130.63 3gla s ALA 110 Ca -0.03 -3.07 -0.08 0.00 0.00 0.00 0.00 51.96 48.78 3gla s ALA 110 Cb -0.05 -3.56 0.01 0.00 0.00 0.00 0.00 23.12 19.52 3gla s ALA 110 CO -0.01 -2.35 0.97 -0.51 0.00 0.00 0.00 175.76 173.87 3gla s LEU 111 N 0.87 3.13 0.78 0.00 1.43 -0.81 -5.01 118.68 119.07 3gla s LEU 111 Ca 0.18 0.90 -0.13 0.00 -1.03 0.00 0.00 54.13 54.05 3gla s LEU 111 Cb -0.13 -3.73 0.07 0.00 0.03 0.00 0.00 46.19 42.43 3gla s LEU 111 CO -0.06 -1.14 1.15 -2.84 0.23 0.00 0.00 176.35 173.69 3gla s PRO 112 N -5.12 1.95 0.37 1.29 0.02 -1.26 -4.84 135.00 127.40 3gla s PRO 112 Ca 0.55 1.53 0.26 0.00 0.02 0.00 0.00 61.00 63.36 3gla s PRO 112 Cb -0.11 -1.83 1.30 0.00 0.02 0.00 0.00 34.50 33.88 3gla s PRO 112 CO 0.48 -1.93 1.79 -0.44 -0.33 0.00 0.00 177.00 176.57 3gla h ASP 113 N -0.85 0.00 0.96 2.53 3.45 -1.95 -1.35 116.42 119.22 3gla h ASP 113 Ca -0.45 0.00 0.00 0.00 0.43 0.00 0.00 57.03 57.01 3gla h ASP 113 Cb 1.27 0.00 0.00 0.00 -0.56 0.00 0.00 39.33 40.04 3gla h ASP 113 CO 0.48 0.00 0.00 0.77 -1.57 0.00 0.00 179.24 178.92 3gla h SER 114 N 0.00 0.00 -2.81 6.45 4.64 -1.97 -3.44 113.55 116.42 3gla h SER 114 Ca 0.00 0.00 -0.53 0.00 -0.47 0.00 0.00 61.79 60.79 3gla h SER 114 Cb 0.14 0.00 0.02 0.00 -0.31 0.00 0.00 62.40 62.25 3gla h SER 114 CO 0.00 0.00 0.89 0.00 -0.87 0.00 0.00 176.83 176.85 3gla s ALA 115 N -3.67 3.66 -0.51 5.18 0.00 -0.51 0.42 121.76 126.32 3gla s ALA 115 Ca 0.01 1.13 -0.23 0.00 0.00 0.00 0.00 51.96 52.87 3gla s ALA 115 Cb 0.09 -3.63 0.04 0.00 0.00 0.00 0.00 23.12 19.62 3gla s ALA 115 CO 0.53 -0.93 0.82 0.34 0.00 0.00 0.00 175.76 176.52 3gla s ASP 116 N 1.88 6.34 0.01 0.00 3.68 0.68 -4.79 116.67 124.46 3gla s ASP 116 Ca 0.69 -0.40 0.10 0.00 2.13 0.00 0.00 52.55 55.08 3gla s ASP 116 Cb -0.38 -2.39 0.44 0.00 -1.45 0.00 0.00 42.92 39.15 3gla s ASP 116 CO 0.30 -1.05 1.33 0.00 0.13 0.00 0.00 175.17 175.89 3gla n ALA 117 N 6.92 1.46 -0.06 3.66 0.00 -1.26 -1.11 120.51 130.11 3gla n ALA 117 Ca 0.00 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.52 3gla n ALA 117 Cb 0.47 -1.17 0.29 0.00 0.00 0.00 0.00 19.45 19.04 3gla n ALA 117 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gla n ASP 118 N -1.52 3.65 -0.39 0.00 8.00 -1.26 -4.24 116.55 120.79 3gla n ASP 118 Ca 0.02 -1.99 0.03 0.00 0.71 0.00 0.00 54.79 53.57 3gla n ASP 118 Cb 0.12 -0.41 0.09 0.00 -0.02 0.00 0.00 41.12 40.90 3gla n ASP 118 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gla n GLY 119 N 1.58 2.65 3.76 0.44 0.00 -0.27 -5.04 105.19 108.31 3gla n GLY 119 Ca 0.22 -0.23 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 3gla n GLY 119 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gla s ILE 120 N -0.98 3.29 0.18 -0.61 1.01 -1.26 -4.35 121.20 118.49 3gla s ILE 120 Ca 0.14 1.29 0.09 0.00 0.00 0.00 0.00 60.65 62.18 3gla s ILE 120 Cb 0.07 -3.82 -0.04 0.00 0.01 0.00 0.00 42.46 38.68 3gla s ILE 120 CO 0.10 0.31 -0.20 0.42 0.00 0.00 0.00 174.94 175.57 3gla s THR 121 N -1.13 1.98 -0.08 2.92 -4.23 -0.47 -4.99 115.64 109.65 3gla s THR 121 Ca 0.46 -1.97 -0.04 0.00 -1.18 0.00 0.00 61.69 58.95 3gla s THR 121 Cb -0.34 -1.94 0.04 0.00 1.34 0.00 0.00 72.50 71.60 3gla s THR 121 CO 0.44 -0.27 0.19 0.00 -0.54 0.00 0.00 174.62 174.44 3gla s ALA 122 N -1.98 -0.40 -0.07 3.99 0.00 -1.26 -1.01 121.76 121.03 3gla s ALA 122 Ca 0.18 0.75 -0.14 0.00 0.00 0.00 0.00 51.96 52.75 3gla s ALA 122 Cb -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 23.12 22.61 3gla s ALA 122 CO 0.08 -0.15 0.34 0.00 0.00 0.00 0.00 175.76 176.02 3gla s ALA 123 N 0.97 -0.85 0.12 0.00 0.00 -0.36 -4.96 121.76 116.68 3gla s ALA 123 Ca -0.07 0.66 0.09 0.00 0.00 0.00 0.00 51.96 52.64 3gla s ALA 123 Cb -0.09 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3gla s ALA 123 CO -0.06 -0.22 -0.17 0.20 0.00 0.00 0.00 175.76 175.52 3gla s GLY 124 N -0.63 1.71 -0.09 0.00 0.00 -1.26 0.19 107.32 107.24 3gla s GLY 124 Ca -0.07 -1.35 -0.05 0.00 0.00 0.00 0.00 44.72 43.24 3gla s GLY 124 CO 0.03 -1.34 0.21 -1.60 0.00 0.00 0.00 173.10 170.40 3gla s ARG 125 N -2.21 0.19 -1.40 2.90 3.52 -0.22 -4.89 118.95 116.84 3gla s ARG 125 Ca 0.19 0.44 -0.09 0.00 -0.13 0.00 0.00 55.73 56.14 3gla s ARG 125 Cb -0.10 -0.09 0.06 0.00 -1.56 0.00 0.00 34.95 33.26 3gla s ARG 125 CO 0.11 -0.14 0.60 0.09 -0.81 0.00 0.00 175.30 175.15 3gla n ASN 126 N 3.96 -4.56 0.00 -2.12 5.03 -1.26 -1.18 115.26 115.13 3gla n ASN 126 Ca -0.23 -0.42 0.00 0.00 0.87 0.00 0.00 54.58 54.80 3gla n ASN 126 Cb 0.54 -3.72 0.00 0.00 -1.02 0.00 0.00 39.78 35.58 3gla n ASN 126 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3gla n GLY 127 N -1.35 0.76 3.55 7.41 0.00 -1.26 -4.89 105.19 109.40 3gla n GLY 127 Ca -0.03 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.63 3gla n GLY 127 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gla s VAL 128 N -3.02 4.57 -0.18 1.61 1.01 -0.33 0.36 120.40 124.43 3gla s VAL 128 Ca 0.00 -0.10 -0.16 0.00 0.00 0.00 0.00 61.98 61.72 3gla s VAL 128 Cb 0.00 -3.09 -0.04 0.00 0.00 0.00 0.00 36.38 33.25 3gla s VAL 128 CO 0.00 0.40 0.39 -0.22 0.00 0.00 0.00 175.10 175.67 3gla s LEU 129 N 0.97 4.20 -0.22 3.92 2.96 0.48 -1.06 118.68 129.92 3gla s LEU 129 Ca 0.04 0.57 -0.03 0.00 -0.22 0.00 0.00 54.13 54.49 3gla s LEU 129 Cb -0.14 -2.52 0.00 0.00 0.50 0.00 0.00 46.19 44.03 3gla s LEU 129 CO 0.03 -0.03 -0.06 -0.70 -1.32 0.00 0.00 176.35 174.27 3gla s GLU 130 N 1.00 3.23 -0.20 1.98 2.12 0.13 -0.33 118.70 126.63 3gla s GLU 130 Ca 0.20 -0.72 -0.03 0.00 0.36 0.00 0.00 54.97 54.78 3gla s GLU 130 Cb -0.14 -2.96 -0.01 0.00 0.26 0.00 0.00 34.13 31.27 3gla s GLU 130 CO 0.07 -0.24 -0.06 0.42 -0.54 0.00 0.00 175.26 174.91 3gla s ILE 131 N 1.43 3.32 -0.06 -3.70 1.01 0.47 -1.22 121.20 122.45 3gla s ILE 131 Ca 0.05 -0.52 0.05 0.00 0.00 0.00 0.00 60.65 60.23 3gla s ILE 131 Cb -0.15 -2.49 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 3gla s ILE 131 CO -0.05 0.45 -0.21 -0.13 0.00 0.00 0.00 174.94 175.00 3gla s ARG 132 N 1.23 2.56 -0.06 2.79 0.52 -0.18 -0.15 118.95 125.67 3gla s ARG 132 Ca 0.03 -0.84 -0.02 0.00 -0.52 0.00 0.00 55.73 54.37 3gla s ARG 132 Cb -0.14 -2.24 0.04 0.00 0.52 0.00 0.00 34.95 33.12 3gla s ARG 132 CO -0.02 0.45 0.09 0.42 0.02 0.00 0.00 175.30 176.25 3gla s ILE 133 N -0.30 -0.15 0.63 1.52 1.01 -0.24 -1.37 121.20 122.30 3gla s ILE 133 Ca 0.01 0.38 -0.17 0.00 0.00 0.00 0.00 60.65 60.88 3gla s ILE 133 Cb -0.13 -0.20 -0.02 0.00 0.01 0.00 0.00 42.46 42.12 3gla s ILE 133 CO 0.02 0.15 1.14 -2.16 0.00 0.00 0.00 174.94 174.09 3gla s PRO 134 N 2.20 2.91 0.35 2.79 0.04 -1.26 0.75 135.00 142.78 3gla s PRO 134 Ca 0.04 1.54 -0.17 0.00 0.04 0.00 0.00 61.00 62.46 3gla s PRO 134 Cb -0.12 -1.95 -0.09 0.00 0.04 0.00 0.00 34.50 32.37 3gla s PRO 134 CO -0.04 -1.19 0.80 0.15 0.04 0.00 0.00 177.00 176.76 3gla s LYS 135 N -3.75 4.08 0.00 4.56 1.02 0.28 -0.23 119.74 125.70 3gla s LYS 135 Ca 0.71 0.81 0.09 0.00 0.02 0.00 0.00 55.97 57.59 3gla s LYS 135 Cb -0.23 -2.38 0.52 0.00 -0.52 0.00 0.00 37.83 35.21 3gla s LYS 135 CO 0.37 0.12 0.97 0.54 -0.92 0.00 0.00 175.35 176.42