#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3b93 s MET 59 N 4.44 1.27 0.01 0.00 0.23 -1.26 -1.12 119.30 122.87 3b93 s MET 59 Ca 0.74 -0.95 -0.08 0.00 -1.03 0.00 0.00 55.69 54.38 3b93 s MET 59 Cb -0.30 0.47 0.00 0.00 -1.53 0.00 0.00 34.83 33.47 3b93 s MET 59 CO 0.30 -0.51 0.15 0.00 -2.03 0.00 0.00 175.02 172.93 3b93 s ALA 60 N -3.89 -0.33 0.02 3.16 0.00 -0.80 -1.32 121.76 118.60 3b93 s ALA 60 Ca 0.11 -0.18 0.01 0.00 0.00 0.00 0.00 51.96 51.89 3b93 s ALA 60 Cb 0.01 0.15 -0.01 0.00 0.00 0.00 0.00 23.12 23.27 3b93 s ALA 60 CO -0.03 -0.25 -0.04 0.21 0.00 0.00 0.00 175.76 175.65 3b93 s LYS 61 N -1.72 0.34 -0.08 0.00 2.20 0.83 -0.95 119.74 120.35 3b93 s LYS 61 Ca -0.12 -0.44 0.04 0.00 -0.36 0.00 0.00 55.97 55.09 3b93 s LYS 61 Cb -0.06 -0.15 -0.01 0.00 -1.51 0.00 0.00 37.83 36.10 3b93 s LYS 61 CO 0.00 0.03 -0.21 0.12 -0.36 0.00 0.00 175.35 174.93 3b93 s PHE 62 N -0.85 2.59 0.00 4.03 5.36 0.33 0.83 117.98 130.25 3b93 s PHE 62 Ca -0.07 -0.69 0.00 0.00 -0.96 0.00 0.00 56.93 55.21 3b93 s PHE 62 Cb -0.06 -1.68 0.00 0.00 -0.34 0.00 0.00 43.02 40.94 3b93 s PHE 62 CO -0.00 -0.20 0.00 0.41 -1.46 0.00 0.00 175.22 173.97 3b93 n GLY 63 N 3.10 -1.84 3.77 13.12 0.00 -0.84 -2.49 105.19 120.01 3b93 n GLY 63 Ca -0.18 -1.39 -0.35 0.00 0.00 0.00 0.00 46.02 44.10 3b93 n GLY 63 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3b93 s PRO 64 N 0.00 3.18 0.27 1.61 0.04 -1.26 -4.67 135.00 134.16 3b93 s PRO 64 Ca 0.00 1.67 -0.28 0.00 0.04 0.00 0.00 61.00 62.43 3b93 s PRO 64 Cb 0.00 -1.97 -0.15 0.00 0.04 0.00 0.00 34.50 32.42 3b93 s PRO 64 CO 0.00 -1.00 0.84 1.28 0.04 0.00 0.00 177.00 178.15 3b93 n LEU 65 N -1.49 0.75 -1.42 -3.56 4.77 -1.26 -0.82 117.00 113.97 3b93 n LEU 65 Ca 0.12 1.15 0.08 0.00 -0.03 0.00 0.00 56.01 57.34 3b93 n LEU 65 Cb 0.51 -1.17 0.31 0.00 -2.33 0.00 0.00 43.42 40.74 3b93 n LEU 65 CO 0.43 -1.96 0.76 -0.81 -1.33 0.00 0.00 177.39 174.48 3b93 n PRO 66 N 0.80 3.35 -1.81 3.23 -0.05 -1.26 -5.01 135.00 134.25 3b93 n PRO 66 Ca 0.12 -2.49 -0.37 0.00 -0.05 0.00 0.00 63.50 60.71 3b93 n PRO 66 Cb 0.30 -1.80 0.05 0.00 -0.05 0.00 0.00 33.50 32.00 3b93 n PRO 66 CO 0.00 0.00 0.00 -1.12 -0.05 0.00 0.00 175.50 174.33 3b93 s SER 67 N -0.85 4.89 0.00 3.54 0.01 0.00 -5.03 113.70 116.27 3b93 s SER 67 Ca 0.45 2.61 0.00 0.00 1.31 0.00 0.00 55.95 60.32 3b93 s SER 67 Cb 0.28 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.90 3b93 s SER 67 CO 0.22 -1.81 0.00 0.29 0.41 0.00 0.00 173.24 172.35 3b93 n LYS 68 N -1.62 1.62 -2.29 12.44 4.01 -1.26 -3.49 118.16 127.56 3b93 n LYS 68 Ca 0.14 0.00 -0.43 0.00 -0.51 0.00 0.00 58.31 57.51 3b93 n LYS 68 Cb 0.48 0.00 -0.02 0.00 -0.51 0.00 0.00 35.03 34.97 3b93 n LYS 68 CO 0.00 0.00 0.00 -1.58 -1.11 0.00 0.00 177.40 174.71 3b93 s TRP 69 N 4.17 2.44 -0.14 2.13 0.23 -1.26 -1.98 118.94 124.52 3b93 s TRP 69 Ca 0.00 0.73 -0.03 0.00 -2.03 0.00 0.00 56.10 54.77 3b93 s TRP 69 Cb 0.00 -3.95 -0.03 0.00 0.03 0.00 0.00 33.47 29.52 3b93 s TRP 69 CO 0.00 -2.23 -0.03 -0.65 0.96 0.00 0.00 176.95 175.00 3b93 s GLN 70 N 4.40 3.56 0.00 4.98 -0.21 0.24 -4.97 119.66 127.66 3b93 s GLN 70 Ca 0.63 -0.50 0.04 0.00 0.02 0.00 0.00 55.36 55.55 3b93 s GLN 70 Cb -0.20 -2.90 -0.01 0.00 1.00 0.00 0.00 33.01 30.90 3b93 s GLN 70 CO 0.26 0.32 -0.13 -1.64 -2.12 0.00 0.00 175.29 171.98 3b93 s MET 71 N 0.14 1.02 -0.26 2.91 -1.94 -1.26 -0.12 119.30 119.78 3b93 s MET 71 Ca -0.01 -0.55 0.09 0.00 -1.71 0.00 0.00 55.69 53.52 3b93 s MET 71 Cb -0.13 -0.99 0.45 0.00 2.01 0.00 0.00 34.83 36.17 3b93 s MET 71 CO 0.03 0.27 1.19 0.00 -0.01 0.00 0.00 175.02 176.49 3b93 n ALA 72 N 2.52 4.53 -0.76 3.03 0.00 -0.43 -5.01 120.51 124.39 3b93 n ALA 72 Ca -0.15 -3.60 -0.24 0.00 0.00 0.00 0.00 53.44 49.45 3b93 n ALA 72 Cb 0.55 -0.36 0.00 0.00 0.00 0.00 0.00 19.45 19.64 3b93 n ALA 72 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 3b93 n PRO 76 N -0.78 0.00 -1.79 0.00 -0.04 -1.26 -4.66 135.00 126.47 3b93 n PRO 76 Ca 0.36 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.48 3b93 n PRO 76 Cb 0.90 -0.60 0.05 0.00 -0.04 0.00 0.00 33.50 33.80 3b93 n PRO 76 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 3b93 s PRO 77 N -0.60 2.76 -0.01 0.54 0.04 -1.26 -4.95 135.00 131.52 3b93 s PRO 77 Ca 0.35 1.54 0.15 0.00 0.04 0.00 0.00 61.00 63.08 3b93 s PRO 77 Cb -0.32 -1.93 -0.19 0.00 0.04 0.00 0.00 34.50 32.11 3b93 s PRO 77 CO 0.39 -1.31 0.57 0.00 0.04 0.00 0.00 177.00 176.69 3b93 s VAL 79 N -2.60 0.15 -0.03 0.00 -7.23 -1.26 0.79 120.40 110.21 3b93 s VAL 79 Ca 0.03 -1.25 -0.01 0.00 -1.81 0.00 0.00 61.98 58.93 3b93 s VAL 79 Cb 0.11 -1.08 0.03 0.00 0.56 0.00 0.00 36.38 36.00 3b93 s VAL 79 CO 0.63 -0.69 0.05 0.21 -0.31 0.00 0.00 175.10 174.99 3b93 s ASN 80 N -2.40 0.74 0.71 4.85 2.47 -0.52 -4.86 114.94 115.93 3b93 s ASN 80 Ca -0.01 0.06 -0.15 0.00 0.42 0.00 0.00 52.86 53.18 3b93 s ASN 80 Cb 0.02 -0.12 0.03 0.00 -1.45 0.00 0.00 41.25 39.73 3b93 s ASN 80 CO -0.07 -0.20 1.20 -1.59 -3.72 0.00 0.00 177.10 172.72 3b93 s LYS 81 N 1.75 2.29 -0.06 0.43 -2.85 -1.26 0.08 119.74 120.12 3b93 s LYS 81 Ca -0.00 1.73 -0.00 0.00 -1.00 0.00 0.00 55.97 56.70 3b93 s LYS 81 Cb -0.12 -1.86 -0.04 0.00 -2.06 0.00 0.00 37.83 33.75 3b93 s LYS 81 CO -0.03 -1.71 -0.06 0.28 0.10 0.00 0.00 175.35 173.93 3b93 n VAL 82 N -2.57 0.35 -1.67 1.79 0.31 -0.04 -4.73 118.33 111.76 3b93 n VAL 82 Ca 0.13 -0.13 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 3b93 n VAL 82 Cb 0.50 -0.83 0.00 0.00 -0.91 0.00 0.00 33.84 32.61 3b93 n VAL 82 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 3b93 n SER 83 N -2.75 0.00 -4.68 4.52 3.41 -1.18 -5.05 113.62 107.89 3b93 n SER 83 Ca -0.11 0.00 -0.45 0.00 -0.26 0.00 0.00 58.87 58.05 3b93 n SER 83 Cb 0.61 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 64.52 3b93 n SER 83 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 3b93 n ASP 84 N 0.60 3.41 0.00 4.04 8.00 -1.26 -1.88 116.55 129.46 3b93 n ASP 84 Ca 0.00 1.06 0.00 0.00 0.71 0.00 0.00 54.79 56.56 3b93 n ASP 84 Cb 0.00 -1.46 0.00 0.00 -0.02 0.00 0.00 41.12 39.64 3b93 n ASP 84 CO 0.00 0.00 0.00 0.79 -0.39 0.00 0.00 177.20 177.60 3b93 n TRP 85 N 4.12 0.00 -3.73 1.24 7.02 -1.26 -4.98 117.44 119.85 3b93 n TRP 85 Ca 0.18 0.00 -0.19 0.00 -1.02 0.00 0.00 57.50 56.47 3b93 n TRP 85 Cb 0.31 -0.41 -0.17 0.00 -2.42 0.00 0.00 31.31 28.62 3b93 n TRP 85 CO 0.00 0.00 0.00 0.21 -2.02 0.00 0.00 177.69 175.88 3b93 s LYS 86 N -0.40 0.06 0.16 -0.99 2.36 -0.79 -2.68 119.74 117.47 3b93 s LYS 86 Ca 0.00 0.27 0.01 0.00 -2.55 0.00 0.00 55.97 53.70 3b93 s LYS 86 Cb 0.00 -0.51 -0.04 0.00 -1.05 0.00 0.00 37.83 36.23 3b93 s LYS 86 CO 0.00 -0.27 0.01 -0.48 1.55 0.00 0.00 175.35 176.16 3b93 s LEU 87 N 1.78 2.09 -0.01 5.43 0.05 0.09 -0.86 118.68 127.24 3b93 s LEU 87 Ca 0.00 -1.17 0.02 0.00 0.05 0.00 0.00 54.13 53.03 3b93 s LEU 87 Cb -0.12 0.01 -0.03 0.00 -2.05 0.00 0.00 46.19 43.99 3b93 s LEU 87 CO -0.03 -0.59 -0.04 -0.70 -0.55 0.00 0.00 176.35 174.44 3b93 s GLU 88 N -3.93 2.70 -0.14 1.48 2.12 0.11 -0.76 118.70 120.28 3b93 s GLU 88 Ca 0.23 -0.63 -0.22 0.00 0.36 0.00 0.00 54.97 54.71 3b93 s GLU 88 Cb 0.06 -2.60 -0.03 0.00 0.26 0.00 0.00 34.13 31.82 3b93 s GLU 88 CO 0.03 0.63 0.64 0.42 -0.54 0.00 0.00 175.26 176.44 3b93 s ILE 89 N -1.00 5.04 -2.13 -3.70 -1.09 0.23 -1.44 121.20 117.11 3b93 s ILE 89 Ca 0.17 1.27 0.19 0.00 -2.23 0.00 0.00 60.65 60.05 3b93 s ILE 89 Cb -0.11 -3.97 0.26 0.00 -1.58 0.00 0.00 42.46 37.06 3b93 s ILE 89 CO 0.07 0.18 1.20 0.18 -1.23 0.00 0.00 174.94 175.34 3b93 n LEU 90 N 4.44 2.87 -3.71 2.97 4.77 0.24 -1.23 117.00 127.35 3b93 n LEU 90 Ca -0.02 -1.29 -0.11 0.00 -0.03 0.00 0.00 56.01 54.56 3b93 n LEU 90 Cb 0.50 -0.12 -0.11 0.00 -2.33 0.00 0.00 43.42 41.37 3b93 n LEU 90 CO 0.45 0.58 0.02 -1.10 -1.33 0.00 0.00 177.39 176.01 3b93 s GLN 91 N -1.41 0.36 0.36 3.23 -0.21 -1.13 -4.83 119.66 116.02 3b93 s GLN 91 Ca 0.27 0.71 -0.28 0.00 0.02 0.00 0.00 55.36 56.08 3b93 s GLN 91 Cb 0.17 -0.03 -0.11 0.00 1.00 0.00 0.00 33.01 34.05 3b93 s GLN 91 CO 0.25 -0.15 1.42 -0.80 -2.12 0.00 0.00 175.29 173.89 3b93 s ASN 92 N 1.28 6.49 0.00 5.90 0.01 -1.26 -4.43 114.94 122.94 3b93 s ASN 92 Ca -0.09 2.92 0.00 0.00 -0.71 0.00 0.00 52.86 54.99 3b93 s ASN 92 Cb -0.08 -2.66 0.00 0.00 0.41 0.00 0.00 41.25 38.91 3b93 s ASN 92 CO -0.11 -0.75 0.00 0.61 -1.51 0.00 0.00 177.10 175.34 3b93 n GLY 93 N 0.58 -1.84 3.52 0.66 0.00 -0.58 -4.74 105.19 102.80 3b93 n GLY 93 Ca 0.01 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.53 3b93 n GLY 93 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 3b93 s LEU 94 N 0.00 3.64 0.11 0.99 2.96 -0.79 -0.42 118.68 125.17 3b93 s LEU 94 Ca 0.00 -0.09 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 3b93 s LEU 94 Cb 0.00 -1.97 -0.04 0.00 0.50 0.00 0.00 46.19 44.69 3b93 s LEU 94 CO 0.00 0.02 -0.18 -0.31 -1.32 0.00 0.00 176.35 174.57 3b93 s TYR 95 N 1.28 1.60 -0.18 5.38 1.51 -0.19 -0.61 117.35 126.14 3b93 s TYR 95 Ca 0.05 -0.46 -0.01 0.00 -1.01 0.00 0.00 57.07 55.64 3b93 s TYR 95 Cb -0.15 -0.86 -0.00 0.00 -0.11 0.00 0.00 41.96 40.84 3b93 s TYR 95 CO 0.04 0.19 -0.11 -1.17 -1.11 0.00 0.00 175.55 173.39 3b93 s LEU 96 N -2.12 2.63 -0.12 -1.29 1.98 0.11 -1.24 118.68 118.63 3b93 s LEU 96 Ca 0.07 -0.44 -0.05 0.00 -2.89 0.00 0.00 54.13 50.82 3b93 s LEU 96 Cb -0.08 -1.63 -0.04 0.00 0.66 0.00 0.00 46.19 45.10 3b93 s LEU 96 CO 0.04 0.04 0.06 -0.63 -1.89 0.00 0.00 176.35 173.97 3b93 s ILE 97 N 1.10 4.79 0.25 6.68 1.01 -0.43 -0.90 121.20 133.70 3b93 s ILE 97 Ca 0.00 -0.06 0.02 0.00 0.00 0.00 0.00 60.65 60.62 3b93 s ILE 97 Cb -0.14 -3.07 -0.04 0.00 0.01 0.00 0.00 42.46 39.21 3b93 s ILE 97 CO -0.03 0.58 0.18 -0.72 0.00 0.00 0.00 174.94 174.94 3b93 s TYR 98 N -0.62 1.40 -5.00 3.97 -0.85 0.05 -2.58 117.35 113.72 3b93 s TYR 98 Ca 0.11 -1.46 0.00 0.00 -0.52 0.00 0.00 57.07 55.20 3b93 s TYR 98 Cb -0.12 -0.65 0.00 0.00 0.38 0.00 0.00 41.96 41.57 3b93 s TYR 98 CO 0.02 -0.69 0.00 0.41 -1.52 0.00 0.00 175.55 173.78 3b93 n GLY 99 N -0.42 0.15 3.39 5.49 0.00 -1.10 -0.52 105.19 112.18 3b93 n GLY 99 Ca 0.03 -1.61 -0.13 0.00 0.00 0.00 0.00 46.02 44.31 3b93 n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3b93 s GLN 100 N -2.00 0.56 -0.23 1.61 0.74 -0.17 -1.57 119.66 118.60 3b93 s GLN 100 Ca 0.00 0.72 0.01 0.00 0.05 0.00 0.00 55.36 56.14 3b93 s GLN 100 Cb 0.00 0.24 0.04 0.00 1.10 0.00 0.00 33.01 34.39 3b93 s GLN 100 CO 0.00 -0.08 -0.13 0.08 -0.55 0.00 0.00 175.29 174.61 3b93 s VAL 101 N 0.44 2.32 -0.51 1.34 1.01 -0.56 -0.93 120.40 123.51 3b93 s VAL 101 Ca -0.01 -1.22 -0.10 0.00 0.00 0.00 0.00 61.98 60.64 3b93 s VAL 101 Cb -0.04 -2.18 0.13 0.00 0.00 0.00 0.00 36.38 34.29 3b93 s VAL 101 CO -0.02 0.24 0.40 0.00 0.00 0.00 0.00 175.10 175.72 3b93 s ALA 102 N 1.23 3.49 0.50 5.51 0.00 -1.23 -1.16 121.76 130.09 3b93 s ALA 102 Ca -0.01 -2.62 -0.17 0.00 0.00 0.00 0.00 51.96 49.15 3b93 s ALA 102 Cb -0.17 -2.93 -0.08 0.00 0.00 0.00 0.00 23.12 19.94 3b93 s ALA 102 CO -0.08 -1.96 0.97 -2.14 0.00 0.00 0.00 175.76 172.56 3b93 s PRO 103 N 1.26 4.00 0.00 0.00 0.02 -1.26 -4.09 135.00 134.93 3b93 s PRO 103 Ca 0.07 0.98 0.00 0.00 0.02 0.00 0.00 61.00 62.06 3b93 s PRO 103 Cb -0.26 -2.15 0.00 0.00 0.02 0.00 0.00 34.50 32.11 3b93 s PRO 103 CO -0.01 -0.22 0.00 1.33 -0.33 0.00 0.00 177.00 177.77 3b93 n VAL 115 N -1.39 0.00 -3.76 3.83 0.24 -1.05 -4.98 118.33 111.22 3b93 n VAL 115 Ca 0.07 0.00 -0.13 0.00 -2.04 0.00 0.00 64.34 62.24 3b93 n VAL 115 Cb 0.54 0.00 -0.11 0.00 -1.47 0.00 0.00 33.84 32.80 3b93 n VAL 115 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3b93 s ARG 116 N -1.00 0.38 -0.11 7.34 3.03 -0.18 0.81 118.95 129.23 3b93 s ARG 116 Ca 0.00 0.42 -0.14 0.00 2.03 0.00 0.00 55.73 58.05 3b93 s ARG 116 Cb 0.00 0.19 -0.05 0.00 -1.03 0.00 0.00 34.95 34.06 3b93 s ARG 116 CO 0.00 -0.05 0.33 -1.17 -1.13 0.00 0.00 175.30 173.28 3b93 s LEU 117 N 0.12 4.33 0.05 -1.89 0.20 0.03 -0.54 118.68 120.97 3b93 s LEU 117 Ca -0.00 0.67 0.07 0.00 0.69 0.00 0.00 54.13 55.56 3b93 s LEU 117 Cb -0.02 -2.44 -0.03 0.00 -0.43 0.00 0.00 46.19 43.27 3b93 s LEU 117 CO 0.01 0.19 -0.21 -0.31 -0.29 0.00 0.00 176.35 175.73 3b93 s TYR 118 N -0.12 1.82 -0.22 5.38 1.51 0.42 -0.74 117.35 125.41 3b93 s TYR 118 Ca 0.19 -0.38 -0.00 0.00 -1.01 0.00 0.00 57.07 55.87 3b93 s TYR 118 Cb -0.14 -1.08 0.02 0.00 -0.11 0.00 0.00 41.96 40.65 3b93 s TYR 118 CO 0.07 0.10 -0.12 0.21 -1.11 0.00 0.00 175.55 174.70 3b93 s LYS 119 N -1.23 2.87 -1.21 -0.62 2.20 -0.65 -2.08 119.74 119.02 3b93 s LYS 119 Ca 0.07 -0.94 -0.33 0.00 -0.36 0.00 0.00 55.97 54.42 3b93 s LYS 119 Cb -0.09 -2.81 0.05 0.00 -1.51 0.00 0.00 37.83 33.47 3b93 s LYS 119 CO 0.02 -0.33 0.62 0.09 -0.36 0.00 0.00 175.35 175.39 3b93 n ASN 120 N 4.63 -3.66 0.00 1.43 3.02 -0.87 -1.83 115.26 117.98 3b93 n ASN 120 Ca -0.18 -1.29 0.00 0.00 -0.03 0.00 0.00 54.58 53.08 3b93 n ASN 120 Cb 0.48 -1.54 0.00 0.00 -0.61 0.00 0.00 39.78 38.11 3b93 n ASN 120 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 3b93 n LYS 121 N -4.98 -0.27 -4.26 3.52 5.02 -1.26 -4.99 118.16 110.95 3b93 n LYS 121 Ca -0.12 0.07 -0.34 0.00 -2.02 0.00 0.00 58.31 55.89 3b93 n LYS 121 Cb 0.56 -3.60 -0.09 0.00 -0.02 0.00 0.00 35.03 31.88 3b93 n LYS 121 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3b93 s ASP 122 N -2.37 5.39 -0.02 4.39 -0.00 -0.76 -5.07 116.67 118.23 3b93 s ASP 122 Ca 0.00 0.14 -0.30 0.00 -0.00 0.00 0.00 52.55 52.39 3b93 s ASP 122 Cb 0.00 -1.52 -0.03 0.00 -0.00 0.00 0.00 42.92 41.36 3b93 s ASP 122 CO 0.00 0.34 1.11 -0.32 -0.00 0.00 0.00 175.17 176.30 3b93 s MET 123 N -1.22 4.44 -0.11 8.23 -2.45 -1.26 -1.63 119.30 125.30 3b93 s MET 123 Ca 0.17 1.59 0.10 0.00 -1.25 0.00 0.00 55.69 56.30 3b93 s MET 123 Cb -0.12 -3.47 -0.15 0.00 1.25 0.00 0.00 34.83 32.35 3b93 s MET 123 CO 0.07 -0.27 0.04 0.44 1.05 0.00 0.00 175.02 176.35 3b93 n ILE 124 N 4.23 0.79 -3.88 10.11 -5.35 0.08 -4.95 119.36 120.40 3b93 n ILE 124 Ca 0.09 -0.49 -0.12 0.00 -0.27 0.00 0.00 62.75 61.96 3b93 n ILE 124 Cb 0.48 -0.67 -0.13 0.00 -1.74 0.00 0.00 39.64 37.58 3b93 n ILE 124 CO 0.00 0.00 0.00 -1.58 -1.76 0.00 0.00 176.55 173.21 3b93 s GLN 125 N -2.29 0.09 -0.14 6.28 0.74 -1.10 -4.98 119.66 118.26 3b93 s GLN 125 Ca -0.06 -0.07 0.01 0.00 0.05 0.00 0.00 55.36 55.29 3b93 s GLN 125 Cb 0.04 0.04 0.02 0.00 1.10 0.00 0.00 33.01 34.20 3b93 s GLN 125 CO 0.48 -0.01 -0.14 0.95 -0.55 0.00 0.00 175.29 176.02 3b93 s THR 126 N -0.24 1.53 0.21 -0.34 -4.23 -1.26 -0.79 115.64 110.51 3b93 s THR 126 Ca -0.03 -0.61 -0.13 0.00 -1.18 0.00 0.00 61.69 59.74 3b93 s THR 126 Cb -0.02 -1.43 -0.07 0.00 1.34 0.00 0.00 72.50 72.31 3b93 s THR 126 CO -0.00 0.45 0.58 -0.76 -0.54 0.00 0.00 174.62 174.35 3b93 s LEU 127 N 1.41 4.24 -0.40 4.79 2.01 0.24 -4.99 118.68 125.97 3b93 s LEU 127 Ca 0.03 1.06 0.11 0.00 0.01 0.00 0.00 54.13 55.33 3b93 s LEU 127 Cb -0.13 -3.55 0.33 0.00 0.01 0.00 0.00 46.19 42.85 3b93 s LEU 127 CO -0.09 -0.01 0.72 0.41 1.01 0.00 0.00 176.35 178.39 3b93 n THR 128 N 0.28 0.15 -0.97 5.49 -1.04 -1.26 -4.61 114.28 112.31 3b93 n THR 128 Ca -0.02 -4.62 0.00 0.00 -2.04 0.00 0.00 64.05 57.38 3b93 n THR 128 Cb 0.52 -0.69 -0.00 0.00 -1.82 0.00 0.00 70.33 68.34 3b93 n THR 128 CO 0.00 0.00 0.00 2.29 -0.64 0.00 0.00 175.07 176.72 3b93 n LYS 132 N 0.41 -0.39 -2.07 -2.82 -0.00 -1.26 -5.11 118.16 106.91 3b93 n LYS 132 Ca 0.25 0.31 -0.42 0.00 -0.00 0.00 0.00 58.31 58.45 3b93 n LYS 132 Cb 0.61 -0.85 -0.03 0.00 -0.00 0.00 0.00 35.03 34.76 3b93 n LYS 132 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.40 177.82 3b93 s ILE 133 N -4.29 3.46 0.30 0.58 1.01 -1.26 -4.48 121.20 116.51 3b93 s ILE 133 Ca 0.00 0.80 0.09 0.00 0.00 0.00 0.00 60.65 61.54 3b93 s ILE 133 Cb 0.00 -3.51 -0.04 0.00 0.01 0.00 0.00 42.46 38.91 3b93 s ILE 133 CO 0.00 -0.02 0.04 -1.10 0.00 0.00 0.00 174.94 173.86 3b93 s GLN 134 N 2.91 2.30 -0.09 2.79 1.11 -0.31 -4.94 119.66 123.43 3b93 s GLN 134 Ca 0.69 -1.49 -0.25 0.00 0.01 0.00 0.00 55.36 54.32 3b93 s GLN 134 Cb -0.34 -2.14 -0.03 0.00 -1.01 0.00 0.00 33.01 29.49 3b93 s GLN 134 CO 0.29 0.26 0.79 -0.80 0.01 0.00 0.00 175.29 175.83 3b93 s ASN 135 N -3.73 7.03 -0.06 5.90 -0.87 -1.26 -1.50 114.94 120.45 3b93 s ASN 135 Ca 0.34 1.25 -0.12 0.00 -1.57 0.00 0.00 52.86 52.76 3b93 s ASN 135 Cb -0.04 -2.45 -0.05 0.00 -0.02 0.00 0.00 41.25 38.69 3b93 s ASN 135 CO 0.21 -0.23 0.30 0.54 -2.57 0.00 0.00 177.10 175.35 3b93 s VAL 136 N 1.27 5.23 0.00 1.60 0.11 -0.61 -4.95 120.40 123.05 3b93 s VAL 136 Ca 0.40 0.58 0.00 0.00 -2.93 0.00 0.00 61.98 60.03 3b93 s VAL 136 Cb -0.18 -3.59 0.00 0.00 -1.53 0.00 0.00 36.38 31.08 3b93 s VAL 136 CO 0.18 0.58 0.00 0.61 -3.33 0.00 0.00 175.10 173.13 3b93 n GLY 137 N 2.02 -0.51 0.00 6.54 0.00 -1.26 -2.73 105.19 109.26 3b93 n GLY 137 Ca -0.16 -1.97 0.00 0.00 0.00 0.00 0.00 46.02 43.89 3b93 n GLY 137 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3b93 n GLY 138 N 0.00 -0.43 3.44 -0.02 0.00 -1.07 -5.00 105.19 102.12 3b93 n GLY 138 Ca 0.00 -1.27 -0.33 0.00 0.00 0.00 0.00 46.02 44.42 3b93 n GLY 138 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3b93 s THR 139 N -2.96 3.17 -0.14 2.61 2.01 -1.26 -1.32 115.64 117.75 3b93 s THR 139 Ca 0.00 -0.65 -0.08 0.00 0.31 0.00 0.00 61.69 61.27 3b93 s THR 139 Cb 0.00 -2.29 0.05 0.00 0.01 0.00 0.00 72.50 70.27 3b93 s THR 139 CO 0.00 0.56 0.33 -0.31 -0.69 0.00 0.00 174.62 174.51 3b93 s TYR 140 N -0.22 -0.46 0.01 4.92 1.51 -0.37 -5.00 117.35 117.74 3b93 s TYR 140 Ca 0.01 1.03 -0.30 0.00 -1.01 0.00 0.00 57.07 56.80 3b93 s TYR 140 Cb -0.13 0.16 -0.05 0.00 -0.11 0.00 0.00 41.96 41.82 3b93 s TYR 140 CO 0.03 -0.28 1.28 -1.21 -1.11 0.00 0.00 175.55 174.26 3b93 s GLU 141 N 1.26 4.35 0.08 -0.62 2.02 -1.26 -1.02 118.70 123.50 3b93 s GLU 141 Ca -0.09 1.83 0.07 0.00 0.02 0.00 0.00 54.97 56.80 3b93 s GLU 141 Cb -0.09 -3.47 -0.03 0.00 0.10 0.00 0.00 34.13 30.64 3b93 s GLU 141 CO -0.10 -0.43 -0.19 -0.51 0.02 0.00 0.00 175.26 174.05 3b93 s LEU 142 N 1.83 2.26 0.19 1.80 1.43 0.44 -4.98 118.68 121.66 3b93 s LEU 142 Ca 0.60 -0.62 0.11 0.00 -1.03 0.00 0.00 54.13 53.19 3b93 s LEU 142 Cb -0.29 -0.78 -0.04 0.00 0.03 0.00 0.00 46.19 45.10 3b93 s LEU 142 CO 0.26 0.04 -0.19 -1.00 0.23 0.00 0.00 176.35 175.69 3b93 s HIS 143 N -1.09 2.41 0.13 0.29 3.76 -1.26 -1.52 115.29 118.00 3b93 s HIS 143 Ca 0.04 -0.31 -0.35 0.00 -0.15 0.00 0.00 55.06 54.29 3b93 s HIS 143 Cb -0.10 -1.18 -0.17 0.00 1.11 0.00 0.00 32.58 32.25 3b93 s HIS 143 CO 0.03 0.51 1.15 0.28 -0.85 0.00 0.00 174.74 175.86 3b93 n VAL 144 N 0.17 0.60 0.00 -0.90 0.31 -1.26 -1.05 118.33 116.20 3b93 n VAL 144 Ca -0.12 -0.15 0.00 0.00 -0.01 0.00 0.00 64.34 64.06 3b93 n VAL 144 Cb 0.56 -0.66 0.00 0.00 -0.91 0.00 0.00 33.84 32.83 3b93 n VAL 144 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3b93 n GLY 145 N 2.07 3.06 3.75 2.92 0.00 -0.37 -5.01 105.19 111.60 3b93 n GLY 145 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.81 3b93 n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3b93 s ASP 146 N 0.48 5.16 0.14 1.61 1.01 -0.22 -4.58 116.67 120.29 3b93 s ASP 146 Ca 0.00 2.75 0.09 0.00 0.71 0.00 0.00 52.55 56.10 3b93 s ASP 146 Cb 0.00 -2.63 -0.04 0.00 1.01 0.00 0.00 42.92 41.26 3b93 s ASP 146 CO 0.00 -1.64 -0.18 0.42 0.21 0.00 0.00 175.17 173.98 3b93 s THR 147 N -1.31 2.82 -0.10 -1.27 -4.23 -1.26 0.77 115.64 111.05 3b93 s THR 147 Ca 0.73 -1.62 0.02 0.00 -1.18 0.00 0.00 61.69 59.64 3b93 s THR 147 Cb -0.40 -2.32 0.01 0.00 1.34 0.00 0.00 72.50 71.13 3b93 s THR 147 CO 0.47 0.03 -0.17 -0.63 -0.54 0.00 0.00 174.62 173.78 3b93 s ILE 148 N -1.33 1.57 0.00 2.99 -1.09 0.06 -2.05 121.20 121.36 3b93 s ILE 148 Ca 0.20 -0.70 0.02 0.00 -2.23 0.00 0.00 60.65 57.94 3b93 s ILE 148 Cb -0.10 -1.41 -0.01 0.00 -1.58 0.00 0.00 42.46 39.36 3b93 s ILE 148 CO 0.11 0.45 -0.07 -0.62 -1.23 0.00 0.00 174.94 173.58 3b93 s ASP 149 N 0.81 0.84 -0.23 3.58 -1.08 -0.88 -0.73 116.67 118.97 3b93 s ASP 149 Ca -0.10 -0.19 -0.02 0.00 -0.52 0.00 0.00 52.55 51.72 3b93 s ASP 149 Cb -0.16 -0.07 0.02 0.00 -1.46 0.00 0.00 42.92 41.25 3b93 s ASP 149 CO 0.01 0.04 -0.08 -0.22 0.52 0.00 0.00 175.17 175.44 3b93 s LEU 150 N -0.40 2.93 -0.09 -1.34 2.96 -1.09 -0.44 118.68 121.22 3b93 s LEU 150 Ca 0.01 -0.72 0.00 0.00 -0.22 0.00 0.00 54.13 53.20 3b93 s LEU 150 Cb -0.04 -1.65 -0.03 0.00 0.50 0.00 0.00 46.19 44.98 3b93 s LEU 150 CO -0.00 -0.08 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.25 3b93 s ILE 151 N 1.35 3.65 -0.11 6.68 -1.09 0.30 -4.91 121.20 127.07 3b93 s ILE 151 Ca 0.02 -0.49 -0.01 0.00 -2.23 0.00 0.00 60.65 57.94 3b93 s ILE 151 Cb -0.15 -2.51 -0.03 0.00 -1.58 0.00 0.00 42.46 38.19 3b93 s ILE 151 CO -0.06 0.57 -0.05 -0.36 -1.23 0.00 0.00 174.94 173.82 3b93 s PHE 152 N -0.51 3.00 0.14 3.97 0.40 -1.26 -1.02 117.98 122.70 3b93 s PHE 152 Ca 0.08 -0.09 -0.23 0.00 -0.60 0.00 0.00 56.93 56.09 3b93 s PHE 152 Cb -0.12 -1.82 -0.01 0.00 0.51 0.00 0.00 43.02 41.58 3b93 s PHE 152 CO 0.02 0.20 1.65 -0.91 0.70 0.00 0.00 175.22 176.88 3b93 h ASN 153 N 5.82 -0.58 -3.85 1.36 4.21 -2.00 -3.42 115.58 117.12 3b93 h ASN 153 Ca -0.42 0.10 -0.27 0.00 1.21 0.00 0.00 56.30 56.92 3b93 h ASN 153 Cb 1.18 0.27 -0.28 0.00 -1.12 0.00 0.00 38.32 38.37 3b93 h ASN 153 CO 0.57 -0.23 -0.74 -0.44 -1.29 0.00 0.00 177.43 175.30 3b93 s SER 154 N -5.03 0.30 0.04 5.81 0.01 -1.26 -5.03 113.70 108.55 3b93 s SER 154 Ca -0.15 -0.06 -0.08 0.00 1.31 0.00 0.00 55.95 56.97 3b93 s SER 154 Cb 0.11 -0.03 -0.02 0.00 0.21 0.00 0.00 66.02 66.29 3b93 s SER 154 CO 0.68 0.02 0.75 -0.62 0.41 0.00 0.00 173.24 174.47 3b93 n GLU 155 N 2.98 -0.12 -0.93 12.44 4.71 -1.26 -5.11 120.64 133.36 3b93 n GLU 155 Ca -0.13 0.74 0.00 0.00 -0.01 0.00 0.00 57.16 57.76 3b93 n GLU 155 Cb 0.59 -1.09 0.00 0.00 -1.01 0.00 0.00 31.44 29.93 3b93 n GLU 155 CO 0.00 0.00 0.00 -2.39 0.09 0.00 0.00 177.13 174.83 3b93 n HIS 156 N -3.55 0.00 -2.66 -0.32 1.44 -1.26 -5.13 115.22 103.74 3b93 n HIS 156 Ca 0.01 0.00 -0.03 0.00 -2.01 0.00 0.00 57.72 55.68 3b93 n HIS 156 Cb 0.07 -0.43 0.08 0.00 0.12 0.00 0.00 29.99 29.83 3b93 n HIS 156 CO 0.00 0.00 0.00 -1.71 -2.81 0.00 0.00 176.34 171.82 3b93 n ASN 161 N 3.81 -1.22 -3.23 4.39 5.15 -1.26 -5.18 115.26 117.72 3b93 n ASN 161 Ca 0.00 -1.84 -0.38 0.00 -0.60 0.00 0.00 54.58 51.76 3b93 n ASN 161 Cb 0.38 1.13 0.00 0.00 -0.53 0.00 0.00 39.78 40.75 3b93 n ASN 161 CO 0.00 0.00 0.00 0.59 1.40 0.00 0.00 177.26 179.25 3b93 n ASN 162 N 0.23 7.43 -4.11 1.20 4.13 -1.26 -4.55 115.26 118.33 3b93 n ASN 162 Ca -0.11 -3.46 -0.30 0.00 1.68 0.00 0.00 54.58 52.40 3b93 n ASN 162 Cb 0.73 -1.22 -0.17 0.00 -1.54 0.00 0.00 39.78 37.58 3b93 n ASN 162 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 3b93 s THR 163 N -3.11 1.68 0.21 3.41 2.01 -1.26 -3.56 115.64 115.02 3b93 s THR 163 Ca 0.50 -0.77 -0.15 0.00 0.31 0.00 0.00 61.69 61.59 3b93 s THR 163 Cb 0.27 -1.51 0.01 0.00 0.01 0.00 0.00 72.50 71.29 3b93 s THR 163 CO -0.19 0.48 0.48 -0.72 -0.69 0.00 0.00 174.62 173.97 3b93 s TYR 164 N 0.81 0.10 0.04 4.92 1.13 -0.11 -4.14 117.35 120.10 3b93 s TYR 164 Ca -0.09 -0.46 -0.15 0.00 -1.41 0.00 0.00 57.07 54.96 3b93 s TYR 164 Cb -0.16 0.28 0.02 0.00 -1.10 0.00 0.00 41.96 41.00 3b93 s TYR 164 CO 0.01 -0.92 0.34 1.67 -2.51 0.00 0.00 175.55 174.13 3b93 s TRP 165 N -3.93 -0.16 0.30 -3.49 1.48 -1.04 -1.00 118.94 111.11 3b93 s TRP 165 Ca 0.14 0.07 -0.04 0.00 -1.06 0.00 0.00 56.10 55.21 3b93 s TRP 165 Cb -0.00 0.13 -0.01 0.00 -1.16 0.00 0.00 33.47 32.43 3b93 s TRP 165 CO 0.01 -0.51 0.43 0.20 -4.06 0.00 0.00 176.95 173.02 3b93 s GLY 166 N -1.98 1.29 0.01 3.67 0.00 0.33 -0.52 107.32 110.12 3b93 s GLY 166 Ca -0.06 -1.41 0.00 0.00 0.00 0.00 0.00 44.72 43.25 3b93 s GLY 166 CO -0.02 -0.98 -0.03 -1.50 0.00 0.00 0.00 173.10 170.57 3b93 s ILE 167 N -3.42 0.16 -0.04 0.90 2.07 -0.13 -0.77 121.20 119.98 3b93 s ILE 167 Ca 0.30 -0.51 0.03 0.00 -1.41 0.00 0.00 60.65 59.05 3b93 s ILE 167 Cb 0.01 -0.22 0.01 0.00 0.13 0.00 0.00 42.46 42.38 3b93 s ILE 167 CO 0.17 -0.22 -0.12 -0.51 -1.91 0.00 0.00 174.94 172.35 3b93 s ILE 168 N -0.75 1.02 -0.21 2.00 -1.16 -0.08 -1.90 121.20 120.12 3b93 s ILE 168 Ca -0.07 -0.46 -0.29 0.00 -0.51 0.00 0.00 60.65 59.31 3b93 s ILE 168 Cb -0.05 -0.91 -0.01 0.00 0.61 0.00 0.00 42.46 42.10 3b93 s ILE 168 CO -0.00 0.31 1.28 -0.22 -2.81 0.00 0.00 174.94 173.50 3b93 s LEU 169 N 0.32 4.08 -0.14 8.50 2.96 -0.28 -0.71 118.68 133.43 3b93 s LEU 169 Ca -0.07 1.54 -0.17 0.00 -0.22 0.00 0.00 54.13 55.21 3b93 s LEU 169 Cb -0.12 -3.54 -0.25 0.00 0.50 0.00 0.00 46.19 42.79 3b93 s LEU 169 CO 0.02 -0.87 0.46 -0.07 -1.32 0.00 0.00 176.35 174.56 3b93 h LEU 170 N 10.14 0.26 -7.94 -0.68 3.38 -1.20 -3.42 115.31 115.85 3b93 h LEU 170 Ca -0.26 -0.78 0.08 0.00 0.09 0.00 0.00 57.88 57.00 3b93 h LEU 170 Cb 1.10 -0.08 -0.05 0.00 0.09 0.00 0.00 40.66 41.72 3b93 h LEU 170 CO 0.99 1.57 0.29 0.00 0.09 0.00 0.00 178.44 181.38 3b93 s ALA 171 N -2.44 -1.25 -0.46 1.53 0.00 -1.13 -5.00 121.76 113.02 3b93 s ALA 171 Ca -0.23 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.49 3b93 s ALA 171 Cb 0.05 0.79 0.17 0.00 0.00 0.00 0.00 23.12 24.13 3b93 s ALA 171 CO 0.71 -1.04 0.37 -1.71 0.00 0.00 0.00 175.76 174.10 3b93 n ASN 172 N -0.59 0.11 -4.79 0.00 5.15 -1.26 -1.89 115.26 111.99 3b93 n ASN 172 Ca -0.05 -2.52 -0.34 0.00 -0.60 0.00 0.00 54.58 51.07 3b93 n ASN 172 Cb 0.59 -0.59 -0.02 0.00 -0.53 0.00 0.00 39.78 39.24 3b93 n ASN 172 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 3b93 s PRO 173 N -0.22 3.59 0.44 1.20 0.04 -1.26 -4.86 135.00 133.92 3b93 s PRO 173 Ca 0.32 1.44 0.30 0.00 0.04 0.00 0.00 61.00 63.10 3b93 s PRO 173 Cb 0.03 -2.06 1.54 0.00 0.04 0.00 0.00 34.50 34.06 3b93 s PRO 173 CO -0.19 -0.62 1.91 -0.56 0.04 0.00 0.00 177.00 177.58 3b93 h GLN 174 N 1.34 0.00 0.00 4.56 -0.00 -2.00 -1.88 115.11 117.14 3b93 h GLN 174 Ca -0.49 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.16 3b93 h GLN 174 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.72 3b93 h GLN 174 CO 0.58 0.00 0.00 1.97 -0.00 0.00 0.00 178.83 181.38 3b93 n PHE 175 N -2.57 0.00 -3.15 0.06 -1.74 -1.26 -4.37 117.46 104.43 3b93 n PHE 175 Ca -0.01 0.00 -0.44 0.00 -0.56 0.00 0.00 57.45 56.44 3b93 n PHE 175 Cb 0.10 -0.19 -0.06 0.00 1.52 0.00 0.00 39.48 40.84 3b93 n PHE 175 CO 0.00 0.00 0.00 0.42 -0.56 0.00 0.00 176.76 176.62 3b93 s ILE 176 N -2.39 4.86 0.00 1.97 1.09 -0.71 -5.16 121.20 120.87 3b93 s ILE 176 Ca 0.33 -0.50 0.00 0.00 -1.10 0.00 0.00 60.65 59.38 3b93 s ILE 176 Cb 0.20 -4.32 0.00 0.00 -1.06 0.00 0.00 42.46 37.28 3b93 s ILE 176 CO 0.41 -0.83 0.00 -1.54 -0.10 0.00 0.00 174.94 172.88