#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3d12 s LEU 30 N 0.00 4.37 0.18 2.46 1.43 -1.26 -5.09 118.68 120.76 3d12 s LEU 30 Ca 0.00 0.69 0.00 0.00 -1.03 0.00 0.00 54.13 53.80 3d12 s LEU 30 Cb 0.00 -2.40 -0.04 0.00 0.03 0.00 0.00 46.19 43.78 3d12 s LEU 30 CO 0.00 0.26 0.35 -1.61 0.23 0.00 0.00 176.35 175.58 3d12 s GLU 31 N -0.50 3.49 0.32 1.70 0.41 -1.26 -4.98 118.70 117.88 3d12 s GLU 31 Ca 0.19 -0.43 -0.29 0.00 -0.41 0.00 0.00 54.97 54.03 3d12 s GLU 31 Cb -0.14 -2.89 -0.12 0.00 -1.78 0.00 0.00 34.13 29.20 3d12 s GLU 31 CO 0.08 0.45 1.55 -2.30 -0.49 0.00 0.00 175.26 174.55 3d12 n PRO 32 N -0.56 2.66 -3.28 0.39 -0.02 -1.26 -4.66 135.00 128.27 3d12 n PRO 32 Ca -0.05 0.94 -0.43 0.00 -2.02 0.00 0.00 63.50 61.94 3d12 n PRO 32 Cb 0.54 -2.70 -0.08 0.00 -0.02 0.00 0.00 33.50 31.23 3d12 n PRO 32 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3d12 s VAL 33 N -0.40 5.03 -0.15 -1.45 1.01 0.02 -5.00 120.40 119.47 3d12 s VAL 33 Ca 0.60 -0.25 -0.25 0.00 0.00 0.00 0.00 61.98 62.09 3d12 s VAL 33 Cb -0.50 -4.07 -0.02 0.00 0.00 0.00 0.00 36.38 31.79 3d12 s VAL 33 CO 0.54 -0.46 0.79 -0.31 0.00 0.00 0.00 175.10 175.66 3d12 s TYR 34 N 2.28 3.45 -1.06 5.22 1.51 -1.26 -0.84 117.35 126.65 3d12 s TYR 34 Ca 0.14 1.23 -0.05 0.00 -1.01 0.00 0.00 57.07 57.39 3d12 s TYR 34 Cb -0.16 -2.95 0.29 0.00 -0.11 0.00 0.00 41.96 39.03 3d12 s TYR 34 CO 0.15 -0.16 1.32 1.87 -1.11 0.00 0.00 175.55 177.62 3d12 n TRP 35 N 4.89 3.21 -4.06 2.71 -0.00 0.20 -4.72 117.44 119.67 3d12 n TRP 35 Ca 0.03 -3.08 -0.13 0.00 -0.00 0.00 0.00 57.50 54.32 3d12 n TRP 35 Cb 0.49 -1.33 -0.04 0.00 -0.00 0.00 0.00 31.31 30.43 3d12 n TRP 35 CO 0.00 0.00 0.00 0.54 -0.00 0.00 0.00 177.69 178.23 3d12 s ASN 36 N -0.94 0.57 0.41 5.87 2.20 -1.26 -4.86 114.94 116.93 3d12 s ASN 36 Ca 0.31 -1.33 0.13 0.00 -0.94 0.00 0.00 52.86 51.04 3d12 s ASN 36 Cb 0.01 0.64 0.86 0.00 -2.00 0.00 0.00 41.25 40.75 3d12 s ASN 36 CO 0.04 -1.25 1.91 0.77 -2.94 0.00 0.00 177.10 175.63 3d12 h SER 37 N 2.17 0.01 0.05 3.54 4.64 -1.95 -2.87 113.55 119.15 3d12 h SER 37 Ca -0.28 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.03 3d12 h SER 37 Cb 1.24 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.33 3d12 h SER 37 CO 0.39 0.28 0.00 0.00 -0.87 0.00 0.00 176.83 176.63 3d12 h ALA 38 N 1.72 1.00 0.85 5.18 0.00 -1.89 -3.20 119.26 122.92 3d12 h ALA 38 Ca -0.00 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.87 3d12 h ALA 38 Cb 0.48 0.00 0.01 0.00 0.00 0.00 0.00 17.79 18.28 3d12 h ALA 38 CO 0.04 0.00 -0.41 -0.97 0.00 0.00 0.00 179.25 177.91 3d12 h ASN 39 N 0.00 -0.97 0.00 0.00 -0.73 -1.79 -3.46 115.58 108.63 3d12 h ASN 39 Ca 0.00 0.03 0.00 0.00 1.87 0.00 0.00 56.30 58.20 3d12 h ASN 39 Cb 0.02 0.25 0.00 0.00 0.27 0.00 0.00 38.32 38.87 3d12 h ASN 39 CO 0.00 -0.66 0.00 1.17 -0.37 0.00 0.00 177.43 177.57 3d12 n LYS 40 N -5.24 0.00 0.28 6.67 4.81 -1.21 -4.70 118.16 118.77 3d12 n LYS 40 Ca -0.14 0.00 0.19 0.00 -0.87 0.00 0.00 58.31 57.48 3d12 n LYS 40 Cb 0.45 -1.62 0.90 0.00 0.02 0.00 0.00 35.03 34.78 3d12 n LYS 40 CO 0.00 0.00 0.00 -0.09 1.17 0.00 0.00 177.40 178.48 3d12 h ARG 41 N 1.18 0.00 -0.05 1.64 1.12 -1.92 -2.21 114.38 114.14 3d12 h ARG 41 Ca 0.00 0.00 -0.09 0.00 -1.11 0.00 0.00 59.98 58.78 3d12 h ARG 41 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 29.97 29.96 3d12 h ARG 41 CO 0.00 0.00 -0.30 0.74 -3.11 0.00 0.00 179.97 177.30 3d12 h PHE 42 N 0.00 0.40 0.00 2.20 -1.00 -1.90 -3.23 116.94 113.41 3d12 h PHE 42 Ca 0.00 -0.18 0.00 0.00 2.81 0.00 0.00 57.97 60.60 3d12 h PHE 42 Cb 0.21 -0.06 0.00 0.00 3.61 0.00 0.00 35.95 39.71 3d12 h PHE 42 CO 0.00 0.93 0.00 1.04 -1.61 0.00 0.00 178.31 178.67 3d12 n GLN 43 N -4.45 0.69 -2.61 1.51 6.02 -0.83 -4.63 117.38 113.07 3d12 n GLN 43 Ca -0.09 0.00 -0.25 0.00 -0.01 0.00 0.00 57.00 56.65 3d12 n GLN 43 Cb 0.50 -1.33 0.03 0.00 1.02 0.00 0.00 30.24 30.45 3d12 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d12 s ALA 44 N -0.91 3.50 0.00 -1.58 0.00 -1.22 -5.06 121.76 116.49 3d12 s ALA 44 Ca 0.00 -0.87 0.00 0.00 0.00 0.00 0.00 51.96 51.09 3d12 s ALA 44 Cb 0.00 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.71 3d12 s ALA 44 CO 0.00 -0.66 0.48 0.39 0.00 0.00 0.00 175.76 175.97 3d12 n GLU 45 N -2.40 0.00 -0.33 0.00 -0.58 -1.26 -3.31 120.64 112.77 3d12 n GLU 45 Ca 0.04 0.30 0.01 0.00 -0.42 0.00 0.00 57.16 57.08 3d12 n GLU 45 Cb 0.58 -0.98 0.18 0.00 -0.57 0.00 0.00 31.44 30.65 3d12 n GLU 45 CO 0.00 0.00 0.00 0.78 -0.48 0.00 0.00 177.13 177.43 3d12 h GLY 46 N 0.00 1.34 0.00 0.62 0.00 -1.97 -3.47 103.07 99.59 3d12 h GLY 46 Ca 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3d12 h GLY 46 CO 0.00 0.41 0.00 0.61 0.00 0.00 0.00 176.54 177.56 3d12 n GLY 47 N -1.39 0.95 2.89 4.60 0.00 -1.21 -4.89 105.19 106.15 3d12 n GLY 47 Ca 0.12 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.04 3d12 n GLY 47 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3d12 n TYR 48 N 0.00 -3.45 -4.21 1.61 -0.00 -1.26 -4.49 117.16 105.36 3d12 n TYR 48 Ca 0.00 1.39 -0.34 0.00 -0.00 0.00 0.00 57.90 58.96 3d12 n TYR 48 Cb 0.00 -3.96 -0.15 0.00 -0.00 0.00 0.00 39.34 35.23 3d12 n TYR 48 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.86 176.94 3d12 s VAL 49 N -2.54 2.76 -0.05 2.97 1.01 -1.26 -2.06 120.40 121.23 3d12 s VAL 49 Ca 0.26 -0.72 -0.01 0.00 0.00 0.00 0.00 61.98 61.51 3d12 s VAL 49 Cb -0.07 -2.20 -0.04 0.00 0.00 0.00 0.00 36.38 34.08 3d12 s VAL 49 CO 0.78 0.49 0.03 -0.76 0.00 0.00 0.00 175.10 175.64 3d12 s LEU 50 N 1.16 3.70 -0.73 3.92 1.43 -0.68 -5.00 118.68 122.47 3d12 s LEU 50 Ca 0.01 0.14 0.04 0.00 -1.03 0.00 0.00 54.13 53.29 3d12 s LEU 50 Cb -0.14 -1.98 0.18 0.00 0.03 0.00 0.00 46.19 44.27 3d12 s LEU 50 CO -0.05 0.34 0.54 -0.31 0.23 0.00 0.00 176.35 177.10 3d12 s TYR 51 N -1.01 3.63 0.42 0.29 1.51 -1.26 -1.89 117.35 119.03 3d12 s TYR 51 Ca 0.17 -3.29 -0.24 0.00 -1.01 0.00 0.00 57.07 52.70 3d12 s TYR 51 Cb -0.12 -2.80 -0.08 0.00 -0.11 0.00 0.00 41.96 38.85 3d12 s TYR 51 CO 0.07 -0.58 1.09 -2.14 -1.11 0.00 0.00 175.55 172.88 3d12 s PRO 52 N -1.42 4.05 0.20 -1.71 0.02 -1.22 -4.80 135.00 130.12 3d12 s PRO 52 Ca 0.25 1.60 -0.10 0.00 0.02 0.00 0.00 61.00 62.78 3d12 s PRO 52 Cb -0.05 -2.51 -0.07 0.00 0.02 0.00 0.00 34.50 31.89 3d12 s PRO 52 CO -0.16 -0.26 0.52 -0.65 -0.33 0.00 0.00 177.00 176.12 3d12 s GLN 53 N -2.54 3.81 -0.05 5.54 -1.52 -1.26 -1.24 119.66 122.39 3d12 s GLN 53 Ca 0.59 0.26 -0.30 0.00 -1.95 0.00 0.00 55.36 53.97 3d12 s GLN 53 Cb -0.24 -2.73 -0.08 0.00 -0.22 0.00 0.00 33.01 29.74 3d12 s GLN 53 CO 0.30 0.37 2.05 -0.89 -0.25 0.00 0.00 175.29 176.87 3d12 n ILE 54 N 0.09 0.62 0.00 1.08 5.41 -1.26 -0.26 119.36 125.04 3d12 n ILE 54 Ca -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 62.75 63.51 3d12 n ILE 54 Cb 0.52 -2.34 0.00 0.00 -0.71 0.00 0.00 39.64 37.11 3d12 n ILE 54 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 3d12 n GLY 55 N 4.94 0.97 3.80 7.39 0.00 -0.38 -5.04 105.19 116.86 3d12 n GLY 55 Ca 0.24 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.90 3d12 n GLY 55 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3d12 s ASP 56 N -1.79 7.15 0.35 1.61 1.11 0.64 -4.74 116.67 121.00 3d12 s ASP 56 Ca 0.00 1.72 0.05 0.00 0.18 0.00 0.00 52.55 54.50 3d12 s ASP 56 Cb 0.00 -2.54 -0.01 0.00 1.07 0.00 0.00 42.92 41.44 3d12 s ASP 56 CO 0.00 -0.16 0.50 -0.13 1.18 0.00 0.00 175.17 176.56 3d12 s ARG 57 N -2.46 3.16 -0.16 8.23 0.52 -1.26 -0.84 118.95 126.14 3d12 s ARG 57 Ca 0.54 -0.85 -0.12 0.00 -0.52 0.00 0.00 55.73 54.77 3d12 s ARG 57 Cb -0.15 -2.77 0.05 0.00 0.52 0.00 0.00 34.95 32.59 3d12 s ARG 57 CO 0.20 0.05 0.41 -1.17 0.02 0.00 0.00 175.30 174.80 3d12 s LEU 58 N -4.23 0.27 -0.03 2.53 0.20 -0.15 -4.75 118.68 112.51 3d12 s LEU 58 Ca 0.44 0.84 0.07 0.00 0.69 0.00 0.00 54.13 56.17 3d12 s LEU 58 Cb -0.10 1.37 -0.02 0.00 -0.43 0.00 0.00 46.19 47.02 3d12 s LEU 58 CO 0.32 -0.16 -0.24 -1.81 -0.29 0.00 0.00 176.35 174.18 3d12 s ASP 59 N 0.61 2.85 -0.17 3.68 1.01 -1.26 -1.22 116.67 122.17 3d12 s ASP 59 Ca -0.03 -0.45 0.00 0.00 0.71 0.00 0.00 52.55 52.78 3d12 s ASP 59 Cb -0.05 -0.49 0.01 0.00 1.01 0.00 0.00 42.92 43.40 3d12 s ASP 59 CO -0.04 0.27 -0.17 -0.76 0.21 0.00 0.00 175.17 174.69 3d12 s LEU 60 N -0.40 2.35 -0.04 1.23 1.43 -0.30 -0.80 118.68 122.16 3d12 s LEU 60 Ca 0.04 -0.54 0.06 0.00 -1.03 0.00 0.00 54.13 52.67 3d12 s LEU 60 Cb -0.11 -1.54 -0.02 0.00 0.03 0.00 0.00 46.19 44.55 3d12 s LEU 60 CO 0.01 0.05 -0.21 -0.76 0.23 0.00 0.00 176.35 175.66 3d12 s LEU 61 N 1.03 2.31 -0.67 1.79 1.43 -0.02 -1.82 118.68 122.73 3d12 s LEU 61 Ca -0.01 -0.37 0.05 0.00 -1.03 0.00 0.00 54.13 52.76 3d12 s LEU 61 Cb -0.15 -1.43 0.16 0.00 0.03 0.00 0.00 46.19 44.81 3d12 s LEU 61 CO -0.04 0.32 0.46 0.00 0.23 0.00 0.00 176.35 177.32 3d12 s PRO 63 N -1.27 4.22 0.00 0.00 0.02 -1.26 -1.89 135.00 134.82 3d12 s PRO 63 Ca 0.24 2.34 0.00 0.00 0.02 0.00 0.00 61.00 63.60 3d12 s PRO 63 Cb -0.07 -3.28 0.00 0.00 0.02 0.00 0.00 34.50 31.17 3d12 s PRO 63 CO -0.15 -0.63 0.00 0.54 -0.33 0.00 0.00 177.00 176.43 3d12 n ARG 64 N 4.42 0.00 -3.77 5.54 5.12 -1.24 -4.77 116.66 121.97 3d12 n ARG 64 Ca 0.14 0.00 -0.29 0.00 -1.93 0.00 0.00 57.85 55.77 3d12 n ARG 64 Cb 0.39 0.00 0.01 0.00 -1.16 0.00 0.00 32.46 31.70 3d12 n ARG 64 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3d12 n ALA 65 N 0.00 -1.20 -0.14 7.54 0.00 -1.26 -4.37 120.51 121.08 3d12 n ALA 65 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 53.44 53.59 3d12 n ALA 65 Cb 0.00 -3.93 0.00 0.00 0.00 0.00 0.00 19.45 15.52 3d12 n ALA 65 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 177.50 175.37 3d12 n ARG 66 N -4.38 0.00 -2.45 0.00 3.00 -1.22 -4.14 116.66 107.47 3d12 n ARG 66 Ca 0.03 0.00 -0.39 0.00 -0.00 0.00 0.00 57.85 57.49 3d12 n ARG 66 Cb 0.53 0.00 -0.03 0.00 0.00 0.00 0.00 32.46 32.96 3d12 n ARG 66 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.63 175.49 3d12 s PRO 67 N -0.86 3.29 -0.57 -0.14 0.02 -1.26 -4.96 135.00 130.52 3d12 s PRO 67 Ca 0.00 -0.69 -0.26 0.00 0.02 0.00 0.00 61.00 60.07 3d12 s PRO 67 Cb 0.00 -4.99 -0.04 0.00 0.02 0.00 0.00 34.50 29.49 3d12 s PRO 67 CO 0.00 -2.40 2.09 -2.14 -0.33 0.00 0.00 177.00 174.22 3d12 s PRO 68 N 5.58 2.39 0.00 5.54 0.02 -1.26 -4.98 135.00 142.30 3d12 s PRO 68 Ca 0.48 0.92 0.00 0.00 0.02 0.00 0.00 61.00 62.42 3d12 s PRO 68 Cb -0.04 -4.48 0.00 0.00 0.02 0.00 0.00 34.50 30.00 3d12 s PRO 68 CO -0.01 -2.99 0.00 0.41 -0.33 0.00 0.00 177.00 174.08 3d12 n GLY 69 N 5.85 0.52 3.74 0.52 0.00 -1.26 -5.03 105.19 109.53 3d12 n GLY 69 Ca 0.28 -1.87 -0.31 0.00 0.00 0.00 0.00 46.02 44.12 3d12 n GLY 69 CO 0.00 0.00 0.00 -4.14 0.00 0.00 0.00 173.32 169.18 3d12 s PRO 70 N -0.57 1.81 0.00 1.61 0.02 -1.26 -3.58 135.00 133.03 3d12 s PRO 70 Ca 0.00 1.10 0.00 0.00 0.02 0.00 0.00 61.00 62.12 3d12 s PRO 70 Cb 0.00 -1.85 0.00 0.00 0.02 0.00 0.00 34.50 32.67 3d12 s PRO 70 CO 0.00 -1.94 0.00 0.72 -0.33 0.00 0.00 177.00 175.45 3d12 n HIS 71 N -3.71 0.00 -1.92 6.54 8.25 -1.26 -4.97 115.22 118.14 3d12 n HIS 71 Ca 0.09 0.00 -0.30 0.00 -0.26 0.00 0.00 57.72 57.25 3d12 n HIS 71 Cb 0.54 -0.28 0.05 0.00 1.12 0.00 0.00 29.99 31.41 3d12 n HIS 71 CO 0.00 0.00 0.00 -1.54 0.64 0.00 0.00 176.34 175.44 3d12 s SER 72 N -1.74 5.44 0.38 0.41 1.04 -1.24 -4.81 113.70 113.19 3d12 s SER 72 Ca 0.00 1.09 0.08 0.00 0.48 0.00 0.00 55.95 57.60 3d12 s SER 72 Cb 0.00 -1.90 -0.02 0.00 0.10 0.00 0.00 66.02 64.20 3d12 s SER 72 CO 0.00 -1.33 0.36 -0.94 0.98 0.00 0.00 173.24 172.31 3d12 s SER 73 N -4.36 5.22 0.12 7.02 1.04 -1.26 -4.82 113.70 116.66 3d12 s SER 73 Ca 0.58 -0.60 -0.16 0.00 0.48 0.00 0.00 55.95 56.25 3d12 s SER 73 Cb -0.11 -0.77 0.03 0.00 0.10 0.00 0.00 66.02 65.27 3d12 s SER 73 CO 0.51 -0.52 0.96 -2.65 0.98 0.00 0.00 173.24 172.52 3d12 n PRO 74 N -1.49 -0.22 -4.10 4.02 -0.02 -1.26 -4.56 135.00 127.36 3d12 n PRO 74 Ca 0.01 0.95 -0.08 0.00 -2.02 0.00 0.00 63.50 62.36 3d12 n PRO 74 Cb 0.61 -1.40 -0.10 0.00 -0.02 0.00 0.00 33.50 32.59 3d12 n PRO 74 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3d12 s SER 75 N -5.28 0.37 0.18 2.55 1.04 -1.26 -5.10 113.70 106.20 3d12 s SER 75 Ca -0.08 -1.07 -0.32 0.00 0.48 0.00 0.00 55.95 54.96 3d12 s SER 75 Cb 0.09 0.26 -0.11 0.00 0.10 0.00 0.00 66.02 66.36 3d12 s SER 75 CO 0.41 -0.68 1.75 -0.47 0.98 0.00 0.00 173.24 175.23 3d12 s TYR 76 N -3.98 2.69 -0.37 5.02 5.04 -1.26 -4.97 117.35 119.53 3d12 s TYR 76 Ca 0.15 0.24 -0.06 0.00 -2.44 0.00 0.00 57.07 54.97 3d12 s TYR 76 Cb 0.07 -4.15 0.07 0.00 0.35 0.00 0.00 41.96 38.30 3d12 s TYR 76 CO -0.04 -4.47 0.14 -1.21 -1.34 0.00 0.00 175.55 168.63 3d12 s GLU 77 N 1.61 2.46 -0.24 4.97 2.02 -1.26 -4.98 118.70 123.27 3d12 s GLU 77 Ca 0.76 -1.39 -0.29 0.00 0.02 0.00 0.00 54.97 54.07 3d12 s GLU 77 Cb -0.49 -3.51 -0.03 0.00 0.10 0.00 0.00 34.13 30.20 3d12 s GLU 77 CO 0.33 -0.81 1.70 -0.06 0.02 0.00 0.00 175.26 176.44 3d12 s PHE 78 N 1.33 1.96 0.15 1.61 0.40 -0.88 -4.95 117.98 117.60 3d12 s PHE 78 Ca 0.01 0.53 0.07 0.00 -0.60 0.00 0.00 56.93 56.93 3d12 s PHE 78 Cb -0.21 -4.04 -0.04 0.00 0.51 0.00 0.00 43.02 39.24 3d12 s PHE 78 CO 0.00 -3.07 -0.14 0.71 0.70 0.00 0.00 175.22 173.42 3d12 s TYR 79 N 5.76 1.53 -0.11 0.36 1.51 -1.25 -3.71 117.35 121.44 3d12 s TYR 79 Ca 0.75 -0.57 0.01 0.00 -1.01 0.00 0.00 57.07 56.26 3d12 s TYR 79 Cb -0.25 -0.77 0.02 0.00 -0.11 0.00 0.00 41.96 40.85 3d12 s TYR 79 CO 0.31 0.22 -0.15 0.15 -1.11 0.00 0.00 175.55 174.97 3d12 s LYS 80 N -3.02 2.20 -0.21 -0.62 1.02 -1.26 -1.03 119.74 116.82 3d12 s LYS 80 Ca 0.14 -0.55 -0.09 0.00 0.02 0.00 0.00 55.97 55.49 3d12 s LYS 80 Cb -0.03 -1.90 -0.05 0.00 -0.52 0.00 0.00 37.83 35.33 3d12 s LYS 80 CO 0.04 -0.09 0.11 -0.51 -0.92 0.00 0.00 175.35 173.98 3d12 s LEU 81 N 1.07 4.01 0.09 3.17 1.43 -0.30 -4.26 118.68 123.88 3d12 s LEU 81 Ca -0.05 0.12 0.09 0.00 -1.03 0.00 0.00 54.13 53.27 3d12 s LEU 81 Cb -0.15 -2.04 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 3d12 s LEU 81 CO -0.03 0.14 -0.22 -0.31 0.23 0.00 0.00 176.35 176.16 3d12 s TYR 82 N 0.61 2.44 -0.17 0.29 1.51 -0.52 0.02 117.35 121.53 3d12 s TYR 82 Ca 0.06 -0.32 -0.16 0.00 -1.01 0.00 0.00 57.07 55.64 3d12 s TYR 82 Cb -0.12 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3d12 s TYR 82 CO 0.01 0.30 0.41 -1.17 -1.11 0.00 0.00 175.55 173.98 3d12 s LEU 83 N -1.79 4.21 0.07 -1.29 2.96 -0.64 -1.26 118.68 120.93 3d12 s LEU 83 Ca 0.15 0.61 0.05 0.00 -0.22 0.00 0.00 54.13 54.72 3d12 s LEU 83 Cb -0.10 -2.55 -0.03 0.00 0.50 0.00 0.00 46.19 44.01 3d12 s LEU 83 CO 0.06 -0.03 -0.14 -0.69 -1.32 0.00 0.00 176.35 174.24 3d12 s VAL 84 N 0.96 1.13 -1.59 1.68 1.01 0.93 -4.32 120.40 120.20 3d12 s VAL 84 Ca 0.21 -1.29 0.00 0.00 0.00 0.00 0.00 61.98 60.89 3d12 s VAL 84 Cb -0.14 -1.08 0.00 0.00 0.00 0.00 0.00 36.38 35.16 3d12 s VAL 84 CO 0.08 -0.21 0.46 -0.62 0.00 0.00 0.00 175.10 174.81 3d12 n GLU 85 N 1.31 0.00 0.00 2.72 -0.58 -1.26 -1.07 120.64 121.76 3d12 n GLU 85 Ca -0.21 0.04 0.00 0.00 -0.42 0.00 0.00 57.16 56.57 3d12 n GLU 85 Cb 0.54 -1.51 0.00 0.00 -0.57 0.00 0.00 31.44 29.90 3d12 n GLU 85 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 3d12 n GLY 86 N -0.96 1.94 0.07 0.62 0.00 -1.17 -4.53 105.19 101.16 3d12 n GLY 86 Ca 0.00 -0.23 -0.12 0.00 0.00 0.00 0.00 46.02 45.67 3d12 n GLY 86 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3d12 h ALA 87 N 0.00 -0.06 0.00 4.61 0.00 -1.87 -0.75 119.26 121.19 3d12 h ALA 87 Ca 0.00 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.80 3d12 h ALA 87 Cb 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 3d12 h ALA 87 CO 0.00 -0.54 -0.48 1.96 0.00 0.00 0.00 179.25 180.19 3d12 h GLN 88 N -0.07 0.00 -0.57 0.00 4.20 -1.86 -3.05 115.11 113.76 3d12 h GLN 88 Ca 0.00 0.00 0.01 0.00 0.06 0.00 0.00 58.65 58.73 3d12 h GLN 88 Cb 0.07 0.00 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 3d12 h GLN 88 CO -0.01 0.48 0.37 0.78 -0.67 0.00 0.00 178.83 179.78 3d12 h GLY 89 N 1.48 0.80 0.98 3.46 0.00 -1.70 -1.78 103.07 106.31 3d12 h GLY 89 Ca -0.00 -0.29 -0.00 0.00 0.00 0.00 0.00 47.33 47.03 3d12 h GLY 89 CO 0.06 0.27 -0.04 3.21 0.00 0.00 0.00 176.54 180.04 3d12 h ARG 90 N 0.75 -0.12 0.00 4.80 3.08 -1.05 -2.23 114.38 119.61 3d12 h ARG 90 Ca 0.21 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3d12 h ARG 90 Cb -0.06 0.03 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3d12 h ARG 90 CO -0.06 -0.06 0.00 0.54 -1.07 0.00 0.00 179.97 179.32 3d12 n ARG 91 N -5.13 0.24 -3.65 0.04 1.74 -1.00 -4.85 116.66 104.04 3d12 n ARG 91 Ca -0.08 0.04 -0.29 0.00 -0.77 0.00 0.00 57.85 56.75 3d12 n ARG 91 Cb 0.08 -1.50 0.04 0.00 -1.02 0.00 0.00 32.46 30.07 3d12 n ARG 91 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3d12 s GLU 93 N -5.85 0.34 0.35 0.00 2.12 -0.84 0.13 118.70 114.95 3d12 s GLU 93 Ca 0.42 0.63 -0.27 0.00 0.36 0.00 0.00 54.97 56.11 3d12 s GLU 93 Cb -0.14 -0.31 -0.09 0.00 0.26 0.00 0.00 34.13 33.84 3d12 s GLU 93 CO 0.85 -0.57 1.20 0.00 -0.54 0.00 0.00 175.26 176.20 3d12 s ALA 94 N 2.56 3.34 0.92 6.30 0.00 -0.44 -4.60 121.76 129.84 3d12 s ALA 94 Ca 0.10 1.05 -0.14 0.00 0.00 0.00 0.00 51.96 52.98 3d12 s ALA 94 Cb -0.15 -3.40 0.15 0.00 0.00 0.00 0.00 23.12 19.72 3d12 s ALA 94 CO -0.15 -0.47 1.20 -2.14 0.00 0.00 0.00 175.76 174.19 3d12 s PRO 95 N -1.90 1.03 0.61 0.00 0.02 -1.26 -4.80 135.00 128.69 3d12 s PRO 95 Ca 0.51 0.02 -0.17 0.00 0.02 0.00 0.00 61.00 61.38 3d12 s PRO 95 Cb -0.34 -1.85 -0.03 0.00 0.02 0.00 0.00 34.50 32.30 3d12 s PRO 95 CO 0.44 -2.22 1.11 -2.14 -0.33 0.00 0.00 177.00 173.86 3d12 s PRO 96 N -5.54 3.07 -1.10 5.54 0.02 -1.26 -3.46 135.00 132.27 3d12 s PRO 96 Ca 0.67 1.43 -0.23 0.00 0.02 0.00 0.00 61.00 62.89 3d12 s PRO 96 Cb -0.10 -1.98 0.02 0.00 0.02 0.00 0.00 34.50 32.46 3d12 s PRO 96 CO 0.52 -1.05 0.69 0.00 -0.33 0.00 0.00 177.00 176.84 3d12 n ALA 97 N -1.98 -2.64 -1.21 -1.55 0.00 -1.26 -4.90 120.51 106.97 3d12 n ALA 97 Ca 0.10 -0.42 -0.30 0.00 0.00 0.00 0.00 53.44 52.82 3d12 n ALA 97 Cb 0.52 -2.52 0.23 0.00 0.00 0.00 0.00 19.45 17.68 3d12 n ALA 97 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 3d12 s PRO 98 N -6.42 -0.82 -1.20 0.00 0.02 -1.22 -4.93 135.00 120.43 3d12 s PRO 98 Ca 0.37 -0.07 -0.13 0.00 0.02 0.00 0.00 61.00 61.19 3d12 s PRO 98 Cb -0.18 -1.64 0.19 0.00 0.02 0.00 0.00 34.50 32.88 3d12 s PRO 98 CO 0.92 -3.45 1.41 -1.71 -0.33 0.00 0.00 177.00 173.85 3d12 n ASN 99 N -4.57 5.28 -4.65 2.53 2.85 -1.26 -5.00 115.26 110.43 3d12 n ASN 99 Ca 0.13 -3.00 -0.43 0.00 -0.11 0.00 0.00 54.58 51.17 3d12 n ASN 99 Cb 0.59 -1.54 -0.03 0.00 1.24 0.00 0.00 39.78 40.05 3d12 n ASN 99 CO 0.00 0.00 0.00 -0.22 -2.11 0.00 0.00 177.26 174.93 3d12 s LEU 100 N 1.02 4.15 -0.15 1.20 2.96 -1.26 -1.63 118.68 124.97 3d12 s LEU 100 Ca 0.41 1.95 -0.14 0.00 -0.22 0.00 0.00 54.13 56.14 3d12 s LEU 100 Cb -0.03 -3.53 -0.24 0.00 0.50 0.00 0.00 46.19 42.89 3d12 s LEU 100 CO -0.01 -1.02 0.34 -0.07 -1.32 0.00 0.00 176.35 174.27 3d12 h LEU 101 N 10.70 0.26 -7.29 -0.68 3.38 -0.76 -3.49 115.31 117.44 3d12 h LEU 101 Ca -0.36 -0.77 -0.10 0.00 0.09 0.00 0.00 57.88 56.74 3d12 h LEU 101 Cb 1.16 -0.08 -0.22 0.00 0.09 0.00 0.00 40.66 41.61 3d12 h LEU 101 CO 0.97 1.69 -0.13 -0.22 0.09 0.00 0.00 178.44 180.84 3d12 s LEU 102 N -7.43 0.25 -0.29 1.67 2.96 -1.18 -4.95 118.68 109.72 3d12 s LEU 102 Ca -0.24 0.64 -0.01 0.00 -0.22 0.00 0.00 54.13 54.30 3d12 s LEU 102 Cb 0.06 1.67 0.09 0.00 0.50 0.00 0.00 46.19 48.51 3d12 s LEU 102 CO 0.70 -0.33 0.07 -0.89 -1.32 0.00 0.00 176.35 174.59 3d12 s THR 103 N -0.50 0.96 -1.29 3.68 2.01 -1.26 -1.15 115.64 118.09 3d12 s THR 103 Ca -0.06 -1.32 -0.14 0.00 0.31 0.00 0.00 61.69 60.48 3d12 s THR 103 Cb -0.03 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 3d12 s THR 103 CO 0.03 -0.56 2.29 0.00 -0.69 0.00 0.00 174.62 175.70 3d12 h ASP 105 N 6.26 0.70 -3.44 0.00 3.32 -1.96 -3.34 116.42 117.95 3d12 h ASP 105 Ca 0.59 -0.54 -0.73 0.00 0.02 0.00 0.00 57.03 56.38 3d12 h ASP 105 Cb 0.53 -0.20 -0.22 0.00 0.22 0.00 0.00 39.33 39.66 3d12 h ASP 105 CO 1.85 1.10 -0.40 -0.13 -1.72 0.00 0.00 179.24 179.93 3d12 s ARG 106 N -4.10 2.96 0.30 3.56 1.81 -1.26 -4.91 118.95 117.30 3d12 s ARG 106 Ca -0.12 -1.13 0.26 0.00 -1.72 0.00 0.00 55.73 53.01 3d12 s ARG 106 Cb 0.07 -4.01 0.90 0.00 -0.45 0.00 0.00 34.95 31.47 3d12 s ARG 106 CO 0.83 -0.84 1.76 -1.35 -0.68 0.00 0.00 175.30 175.02 3d12 h PRO 107 N 8.65 0.00 0.04 3.54 0.11 -1.87 -3.15 132.00 139.31 3d12 h PRO 107 Ca -0.27 0.00 -0.24 0.00 0.11 0.00 0.00 66.00 65.60 3d12 h PRO 107 Cb 1.12 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.23 3d12 h PRO 107 CO 0.77 0.00 -1.02 -0.44 -0.21 0.00 0.00 178.00 177.10 3d12 h ASP 108 N 0.00 0.47 -3.46 -2.05 3.32 -1.91 -3.23 116.42 109.56 3d12 h ASP 108 Ca 0.00 -0.41 -0.66 0.00 0.02 0.00 0.00 57.03 55.98 3d12 h ASP 108 Cb 0.59 -0.15 -0.17 0.00 0.22 0.00 0.00 39.33 39.82 3d12 h ASP 108 CO 0.00 1.24 -0.76 -0.76 -1.72 0.00 0.00 179.24 177.23 3d12 s LEU 109 N -7.54 2.85 0.09 1.55 1.43 -1.19 -4.79 118.68 111.08 3d12 s LEU 109 Ca -0.05 -0.53 -0.30 0.00 -1.03 0.00 0.00 54.13 52.21 3d12 s LEU 109 Cb 0.08 -1.64 -0.06 0.00 0.03 0.00 0.00 46.19 44.61 3d12 s LEU 109 CO 0.87 0.15 1.16 -1.81 0.23 0.00 0.00 176.35 176.96 3d12 s ASP 110 N -2.37 7.14 0.09 2.29 1.01 -1.26 -3.63 116.67 119.93 3d12 s ASP 110 Ca 0.21 2.03 0.07 0.00 0.71 0.00 0.00 52.55 55.57 3d12 s ASP 110 Cb -0.10 -2.59 -0.04 0.00 1.01 0.00 0.00 42.92 41.21 3d12 s ASP 110 CO 0.12 -0.40 -0.14 -0.76 0.21 0.00 0.00 175.17 174.21 3d12 s LEU 111 N 0.64 2.84 0.12 1.23 1.43 -0.79 -4.92 118.68 119.24 3d12 s LEU 111 Ca 0.56 -0.43 -0.07 0.00 -1.03 0.00 0.00 54.13 53.15 3d12 s LEU 111 Cb -0.29 -1.67 -0.01 0.00 0.03 0.00 0.00 46.19 44.25 3d12 s LEU 111 CO 0.31 0.20 0.19 0.00 0.23 0.00 0.00 176.35 177.28 3d12 s ARG 112 N -1.96 0.97 -0.07 1.70 1.70 -1.26 -1.06 118.95 118.96 3d12 s ARG 112 Ca 0.18 -1.14 -0.05 0.00 -0.47 0.00 0.00 55.73 54.25 3d12 s ARG 112 Cb -0.11 0.33 0.03 0.00 -0.57 0.00 0.00 34.95 34.63 3d12 s ARG 112 CO 0.10 -0.32 0.18 0.12 -1.08 0.00 0.00 175.30 174.31 3d12 s PHE 113 N -3.94 -0.21 -0.07 5.89 5.36 -0.75 -4.98 117.98 119.29 3d12 s PHE 113 Ca 0.13 0.53 0.04 0.00 -0.96 0.00 0.00 56.93 56.67 3d12 s PHE 113 Cb 0.05 0.03 -0.00 0.00 -0.34 0.00 0.00 43.02 42.76 3d12 s PHE 113 CO -0.05 -0.13 -0.20 0.99 -1.46 0.00 0.00 175.22 174.37 3d12 s THR 114 N 0.54 1.70 0.12 0.12 2.01 -1.26 -1.15 115.64 117.72 3d12 s THR 114 Ca -0.04 -0.84 0.05 0.00 0.31 0.00 0.00 61.69 61.17 3d12 s THR 114 Cb -0.05 -1.47 -0.04 0.00 0.01 0.00 0.00 72.50 70.95 3d12 s THR 114 CO -0.03 0.48 0.01 -0.63 -0.69 0.00 0.00 174.62 173.76 3d12 s ILE 115 N 0.17 3.98 -0.06 1.82 1.01 -0.36 -4.95 121.20 122.81 3d12 s ILE 115 Ca -0.09 -1.10 0.05 0.00 0.00 0.00 0.00 60.65 59.50 3d12 s ILE 115 Cb -0.14 -2.93 -0.00 0.00 0.01 0.00 0.00 42.46 39.39 3d12 s ILE 115 CO 0.05 0.05 -0.20 -0.75 0.00 0.00 0.00 174.94 174.09 3d12 s LYS 116 N -2.52 2.13 -1.00 2.79 2.20 -1.26 -0.98 119.74 121.10 3d12 s LYS 116 Ca 0.26 -0.70 -0.22 0.00 -0.36 0.00 0.00 55.97 54.95 3d12 s LYS 116 Cb -0.11 -1.79 0.07 0.00 -1.51 0.00 0.00 37.83 34.49 3d12 s LYS 116 CO 0.19 0.25 1.38 -0.06 -0.36 0.00 0.00 175.35 176.75 3d12 s PHE 117 N 0.08 2.66 0.25 4.03 0.40 -0.02 -4.85 117.98 120.53 3d12 s PHE 117 Ca -0.07 -0.96 -0.18 0.00 -0.60 0.00 0.00 56.93 55.13 3d12 s PHE 117 Cb -0.13 -4.61 0.02 0.00 0.51 0.00 0.00 43.02 38.81 3d12 s PHE 117 CO 0.04 -1.84 0.62 -1.14 0.70 0.00 0.00 175.22 173.59 3d12 s GLN 118 N 4.47 1.64 0.25 0.44 0.74 -1.26 -1.25 119.66 124.68 3d12 s GLN 118 Ca 0.43 -1.02 0.16 0.00 0.05 0.00 0.00 55.36 54.98 3d12 s GLN 118 Cb -0.01 0.56 0.04 0.00 1.10 0.00 0.00 33.01 34.70 3d12 s GLN 118 CO -0.10 -0.72 1.33 1.49 -0.55 0.00 0.00 175.29 176.74 3d12 h GLU 119 N 2.10 0.00 -5.99 1.67 4.57 -2.02 -3.46 114.58 111.45 3d12 h GLU 119 Ca -0.23 0.00 -0.58 0.00 -1.18 0.00 0.00 59.36 57.37 3d12 h GLU 119 Cb 1.25 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.81 3d12 h GLU 119 CO 0.29 0.42 -0.48 0.71 -1.18 0.00 0.00 179.01 178.77 3d12 s TYR 120 N -2.98 3.50 -0.22 0.92 4.12 -1.26 -5.10 117.35 116.33 3d12 s TYR 120 Ca 0.03 0.19 -0.29 0.00 0.02 0.00 0.00 57.07 57.02 3d12 s TYR 120 Cb 0.08 -1.72 0.14 0.00 -1.52 0.00 0.00 41.96 38.94 3d12 s TYR 120 CO 0.75 0.55 1.10 0.45 0.02 0.00 0.00 175.55 178.42 3d12 s SER 121 N -2.88 -0.30 0.00 2.29 0.15 -1.26 -4.95 113.70 106.75 3d12 s SER 121 Ca 0.35 0.41 0.01 0.00 0.70 0.00 0.00 55.95 57.42 3d12 s SER 121 Cb -0.12 0.36 0.07 0.00 -1.71 0.00 0.00 66.02 64.62 3d12 s SER 121 CO 0.28 -0.23 0.64 -2.65 1.20 0.00 0.00 173.24 172.48 3d12 n PRO 122 N 1.06 0.57 -2.90 5.44 -0.02 -1.26 -4.73 135.00 133.17 3d12 n PRO 122 Ca -0.09 0.00 -0.41 0.00 -2.02 0.00 0.00 63.50 60.98 3d12 n PRO 122 Cb 0.58 -1.03 -0.04 0.00 -0.02 0.00 0.00 33.50 32.98 3d12 n PRO 122 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3d12 s ASN 123 N -1.46 7.23 -0.06 2.55 2.47 -1.26 -4.98 114.94 119.43 3d12 s ASN 123 Ca 0.02 1.48 0.17 0.00 0.42 0.00 0.00 52.86 54.95 3d12 s ASN 123 Cb 0.01 -2.49 0.57 0.00 -1.45 0.00 0.00 41.25 37.88 3d12 s ASN 123 CO 0.01 -0.10 1.48 0.18 -3.72 0.00 0.00 177.10 174.95 3d12 n LEU 124 N 3.35 3.96 0.04 3.21 4.77 -1.26 -4.55 117.00 126.51 3d12 n LEU 124 Ca 0.01 -2.28 0.11 0.00 -0.03 0.00 0.00 56.01 53.82 3d12 n LEU 124 Cb 0.51 -0.46 -0.10 0.00 -2.33 0.00 0.00 43.42 41.04 3d12 n LEU 124 CO 0.49 0.82 -0.44 0.79 -1.33 0.00 0.00 177.39 177.72 3d12 n TRP 125 N 0.90 0.41 -2.50 -1.77 7.02 -1.26 -4.99 117.44 115.25 3d12 n TRP 125 Ca 0.21 0.12 -0.02 0.00 -1.02 0.00 0.00 57.50 56.79 3d12 n TRP 125 Cb 0.70 -0.70 0.01 0.00 -2.42 0.00 0.00 31.31 28.89 3d12 n TRP 125 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3d12 n GLY 126 N 1.23 0.73 3.84 6.99 0.00 -1.26 -5.05 105.19 111.67 3d12 n GLY 126 Ca -0.03 -0.56 -0.32 0.00 0.00 0.00 0.00 46.02 45.11 3d12 n GLY 126 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3d12 s HIS 127 N -3.03 3.41 0.01 1.61 3.76 -1.26 -5.09 115.29 114.69 3d12 s HIS 127 Ca 0.04 1.46 -0.02 0.00 -0.15 0.00 0.00 55.06 56.38 3d12 s HIS 127 Cb -0.02 -2.81 -0.01 0.00 1.11 0.00 0.00 32.58 30.85 3d12 s HIS 127 CO 0.07 -0.50 0.03 -1.83 -0.85 0.00 0.00 174.74 171.66 3d12 s GLU 128 N -4.19 0.30 -0.85 1.40 -1.05 -1.26 -5.12 118.70 107.93 3d12 s GLU 128 Ca 0.59 -0.40 -0.15 0.00 -0.15 0.00 0.00 54.97 54.86 3d12 s GLU 128 Cb -0.11 0.12 0.21 0.00 -0.44 0.00 0.00 34.13 33.91 3d12 s GLU 128 CO 0.34 -0.06 0.84 -0.06 0.95 0.00 0.00 175.26 177.27 3d12 s PHE 129 N -1.10 3.68 0.28 4.83 0.40 -1.26 -5.05 117.98 119.76 3d12 s PHE 129 Ca -0.12 -1.92 -0.29 0.00 -0.60 0.00 0.00 56.93 54.00 3d12 s PHE 129 Cb -0.07 -3.89 -0.14 0.00 0.51 0.00 0.00 43.02 39.43 3d12 s PHE 129 CO -0.00 -1.07 1.10 0.54 0.70 0.00 0.00 175.22 176.49 3d12 n ARG 130 N 4.33 1.49 -2.57 0.44 5.12 -1.26 -4.98 116.66 119.24 3d12 n ARG 130 Ca 0.16 0.53 -0.31 0.00 -1.93 0.00 0.00 57.85 56.30 3d12 n ARG 130 Cb 0.47 -1.96 -0.02 0.00 -1.16 0.00 0.00 32.46 29.79 3d12 n ARG 130 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 3d12 s SER 131 N -0.39 6.48 -1.73 0.55 0.01 -1.26 -3.82 113.70 113.54 3d12 s SER 131 Ca 0.61 1.27 0.00 0.00 1.31 0.00 0.00 55.95 59.14 3d12 s SER 131 Cb -0.70 -2.39 0.00 0.00 0.21 0.00 0.00 66.02 63.15 3d12 s SER 131 CO 0.59 -0.54 0.00 1.41 0.41 0.00 0.00 173.24 175.11 3d12 n HIS 132 N -1.68 -0.25 -4.36 2.43 8.25 -1.26 -4.99 115.22 113.36 3d12 n HIS 132 Ca 0.04 0.00 -0.24 0.00 -0.26 0.00 0.00 57.72 57.26 3d12 n HIS 132 Cb 0.54 -3.13 -0.12 0.00 1.12 0.00 0.00 29.99 28.41 3d12 n HIS 132 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 3d12 s HIS 133 N -2.71 1.99 -0.19 4.41 4.02 -1.25 -5.13 115.29 116.44 3d12 s HIS 133 Ca 0.00 -0.42 -0.09 0.00 1.02 0.00 0.00 55.06 55.57 3d12 s HIS 133 Cb 0.00 -1.01 -0.05 0.00 -1.02 0.00 0.00 32.58 30.51 3d12 s HIS 133 CO 0.00 0.37 0.11 -0.51 1.02 0.00 0.00 174.74 175.73 3d12 s ASP 134 N -2.53 6.03 0.07 1.40 1.01 -1.26 -4.51 116.67 116.88 3d12 s ASP 134 Ca 0.16 0.20 0.08 0.00 0.71 0.00 0.00 52.55 53.69 3d12 s ASP 134 Cb -0.07 -2.04 -0.03 0.00 1.01 0.00 0.00 42.92 41.79 3d12 s ASP 134 CO 0.07 0.19 -0.20 -0.31 0.21 0.00 0.00 175.17 175.14 3d12 s TYR 135 N 0.26 1.75 -0.03 4.23 1.51 -1.13 -3.06 117.35 120.88 3d12 s TYR 135 Ca 0.07 -0.40 0.07 0.00 -1.01 0.00 0.00 57.07 55.81 3d12 s TYR 135 Cb -0.11 -1.00 -0.02 0.00 -0.11 0.00 0.00 41.96 40.72 3d12 s TYR 135 CO -0.01 0.14 -0.26 0.71 -1.11 0.00 0.00 175.55 175.03 3d12 s TYR 136 N -0.99 2.36 -0.47 2.71 1.51 -0.23 -0.16 117.35 122.08 3d12 s TYR 136 Ca 0.06 -0.52 -0.17 0.00 -1.01 0.00 0.00 57.07 55.43 3d12 s TYR 136 Cb -0.09 -1.53 0.05 0.00 -0.11 0.00 0.00 41.96 40.28 3d12 s TYR 136 CO 0.03 -0.09 0.49 0.42 -1.11 0.00 0.00 175.55 175.29 3d12 s ILE 137 N -0.48 5.06 0.18 2.71 1.01 -0.39 -0.05 121.20 129.24 3d12 s ILE 137 Ca 0.06 -0.65 0.10 0.00 0.00 0.00 0.00 60.65 60.15 3d12 s ILE 137 Cb -0.11 -4.16 -0.04 0.00 0.01 0.00 0.00 42.46 38.15 3d12 s ILE 137 CO 0.00 -0.62 -0.14 0.27 0.00 0.00 0.00 174.94 174.45 3d12 s ILE 138 N 2.14 2.92 -0.23 2.92 -4.36 -0.39 -1.89 121.20 122.32 3d12 s ILE 138 Ca 0.10 -1.77 0.01 0.00 -0.26 0.00 0.00 60.65 58.73 3d12 s ILE 138 Cb -0.20 -2.43 0.05 0.00 1.25 0.00 0.00 42.46 41.13 3d12 s ILE 138 CO 0.11 -0.11 -0.08 0.00 0.24 0.00 0.00 174.94 175.09 3d12 s ALA 139 N -1.69 2.08 -2.49 2.27 0.00 -1.16 -1.44 121.76 119.33 3d12 s ALA 139 Ca 0.23 -1.37 0.23 0.00 0.00 0.00 0.00 51.96 51.06 3d12 s ALA 139 Cb -0.09 -1.40 0.59 0.00 0.00 0.00 0.00 23.12 22.22 3d12 s ALA 139 CO 0.13 -1.05 1.48 0.25 0.00 0.00 0.00 175.76 176.57 3d12 n THR 140 N 4.64 0.25 -2.44 0.00 -2.24 -1.26 -0.98 114.28 112.24 3d12 n THR 140 Ca -0.13 -0.49 -0.33 0.00 -2.27 0.00 0.00 64.05 60.82 3d12 n THR 140 Cb 0.45 0.78 -0.03 0.00 -2.10 0.00 0.00 70.33 69.43 3d12 n THR 140 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3d12 s SER 141 N -1.67 6.29 0.00 3.42 0.15 -1.26 -1.90 113.70 118.73 3d12 s SER 141 Ca 0.34 1.84 0.29 0.00 0.70 0.00 0.00 55.95 59.12 3d12 s SER 141 Cb 0.20 -2.55 1.65 0.00 -1.71 0.00 0.00 66.02 63.62 3d12 s SER 141 CO 0.30 -0.81 2.07 -0.90 1.20 0.00 0.00 173.24 175.10 3d12 n ASP 142 N -1.25 0.15 0.00 5.45 5.68 -1.26 -0.72 116.55 124.60 3d12 n ASP 142 Ca 0.09 -1.14 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 3d12 n ASP 142 Cb 0.53 -0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.51 3d12 n ASP 142 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3d12 n GLY 143 N 0.97 0.69 3.45 6.12 0.00 -1.24 -4.79 105.19 110.38 3d12 n GLY 143 Ca 0.21 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.60 3d12 n GLY 143 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3d12 s THR 144 N -2.00 2.42 0.50 2.61 -4.23 -1.24 -2.06 115.64 111.64 3d12 s THR 144 Ca 0.00 -2.19 0.15 0.00 -1.18 0.00 0.00 61.69 58.47 3d12 s THR 144 Cb 0.00 -2.21 0.26 0.00 1.34 0.00 0.00 72.50 71.89 3d12 s THR 144 CO 0.00 -0.24 2.12 -0.09 -0.54 0.00 0.00 174.62 175.87 3d12 h ARG 145 N 2.80 0.03 0.00 3.99 2.43 -1.96 -1.67 114.38 120.00 3d12 h ARG 145 Ca -0.44 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.73 3d12 h ARG 145 Cb 1.23 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.77 3d12 h ARG 145 CO 0.53 0.05 -0.58 0.93 -1.51 0.00 0.00 179.97 179.39 3d12 h GLU 146 N 0.04 0.00 -0.33 0.20 3.07 -1.97 -3.26 114.58 112.33 3d12 h GLU 146 Ca 0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.87 3d12 h GLU 146 Cb 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.95 3d12 h GLU 146 CO 0.00 0.00 0.00 0.41 -1.40 0.00 0.00 179.01 178.02 3d12 n GLY 147 N 1.30 1.59 0.14 -3.84 0.00 -0.68 -4.70 105.19 99.00 3d12 n GLY 147 Ca 0.03 -0.69 -0.09 0.00 0.00 0.00 0.00 46.02 45.27 3d12 n GLY 147 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3d12 h LEU 148 N 4.24 -0.29 0.00 0.99 5.85 -1.46 -2.45 115.31 122.19 3d12 h LEU 148 Ca 0.00 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3d12 h LEU 148 Cb 0.95 0.16 0.00 0.00 0.37 0.00 0.00 40.66 42.14 3d12 h LEU 148 CO 0.00 -0.12 0.00 -0.62 -0.34 0.00 0.00 178.44 177.36 3d12 n GLU 149 N -5.24 0.53 -1.62 1.25 -0.58 -1.26 -4.59 120.64 109.14 3d12 n GLU 149 Ca -0.03 0.04 -0.50 0.00 -0.42 0.00 0.00 57.16 56.25 3d12 n GLU 149 Cb 0.16 -1.50 -0.05 0.00 -0.57 0.00 0.00 31.44 29.48 3d12 n GLU 149 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3d12 n SER 150 N -1.14 2.20 -0.69 1.62 2.88 -0.92 -4.88 113.62 112.69 3d12 n SER 150 Ca 0.14 1.10 0.08 0.00 -1.33 0.00 0.00 58.87 58.86 3d12 n SER 150 Cb 0.13 -1.28 0.10 0.00 -0.75 0.00 0.00 64.21 62.41 3d12 n SER 150 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3d12 n LEU 151 N 2.88 2.56 -4.02 2.46 4.77 -1.26 -4.20 117.00 120.18 3d12 n LEU 151 Ca 0.18 -1.27 -0.23 0.00 -0.03 0.00 0.00 56.01 54.66 3d12 n LEU 151 Cb 0.23 -0.09 -0.16 0.00 -2.33 0.00 0.00 43.42 41.07 3d12 n LEU 151 CO 0.63 0.52 -0.46 -1.58 -1.33 0.00 0.00 177.39 175.17 3d12 s GLN 152 N -1.21 1.32 0.00 3.23 -0.44 -1.26 -1.33 119.66 119.97 3d12 s GLN 152 Ca 0.22 -0.38 0.00 0.00 -2.50 0.00 0.00 55.36 52.70 3d12 s GLN 152 Cb 0.14 -1.16 0.00 0.00 -1.64 0.00 0.00 33.01 30.34 3d12 s GLN 152 CO 0.20 0.10 0.00 0.41 0.50 0.00 0.00 175.29 176.50 3d12 n GLY 153 N 3.48 0.00 0.00 2.59 0.00 0.35 -4.81 105.19 106.80 3d12 n GLY 153 Ca -0.20 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3d12 n GLY 153 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3d12 n GLY 154 N 0.00 0.48 0.31 -0.02 0.00 -0.80 -4.62 105.19 100.55 3d12 n GLY 154 Ca 0.00 0.00 0.19 0.00 0.00 0.00 0.00 46.02 46.21 3d12 n GLY 154 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 3d12 h VAL 155 N 0.00 0.16 -0.86 1.61 2.07 -0.98 0.16 116.25 118.41 3d12 h VAL 155 Ca 0.00 -0.15 0.14 0.00 0.82 0.00 0.00 66.70 67.51 3d12 h VAL 155 Cb 0.00 1.12 -0.07 0.00 -1.52 0.00 0.00 31.29 30.82 3d12 h VAL 155 CO 0.00 0.02 0.56 0.00 0.02 0.00 0.00 177.57 178.17 3d12 n LEU 157 N -4.54 0.12 0.00 0.00 4.77 -0.10 -3.29 117.00 113.96 3d12 n LEU 157 Ca 0.17 0.27 0.00 0.00 -0.03 0.00 0.00 56.01 56.41 3d12 n LEU 157 Cb 0.47 -0.52 0.00 0.00 -2.33 0.00 0.00 43.42 41.03 3d12 n LEU 157 CO 0.30 -0.50 0.08 0.41 -1.33 0.00 0.00 177.39 176.35 3d12 n THR 158 N -2.42 0.00 0.62 -5.08 -1.04 -0.34 -1.86 114.28 104.17 3d12 n THR 158 Ca -0.00 0.32 0.10 0.00 -2.04 0.00 0.00 64.05 62.43 3d12 n THR 158 Cb 0.02 -0.49 0.27 0.00 -1.82 0.00 0.00 70.33 68.31 3d12 n THR 158 CO 0.00 0.00 0.00 0.54 -0.64 0.00 0.00 175.07 174.97 3d12 n ARG 159 N -0.64 2.12 -3.48 -2.82 1.74 -0.58 -4.94 116.66 108.06 3d12 n ARG 159 Ca 0.00 -1.72 -0.20 0.00 -0.77 0.00 0.00 57.85 55.16 3d12 n ARG 159 Cb 0.00 -1.42 0.08 0.00 -1.02 0.00 0.00 32.46 30.10 3d12 n ARG 159 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3d12 n GLY 160 N 1.30 -0.42 3.42 -0.13 0.00 -0.61 -4.60 105.19 104.15 3d12 n GLY 160 Ca 0.17 0.16 -0.44 0.00 0.00 0.00 0.00 46.02 45.92 3d12 n GLY 160 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 3d12 n MET 161 N -4.49 3.36 -4.03 1.61 2.81 -0.58 -4.77 117.12 111.03 3d12 n MET 161 Ca -0.11 -3.74 -0.08 0.00 -1.81 0.00 0.00 57.70 51.97 3d12 n MET 161 Cb 0.60 -3.09 -0.09 0.00 -0.71 0.00 0.00 33.22 29.93 3d12 n MET 161 CO 0.00 0.00 0.00 -1.59 1.51 0.00 0.00 175.97 175.89 3d12 s LYS 162 N 1.82 0.65 -0.08 0.03 -2.85 -1.26 -2.99 119.74 115.06 3d12 s LYS 162 Ca 0.44 -1.12 -0.00 0.00 -1.00 0.00 0.00 55.97 54.29 3d12 s LYS 162 Cb -0.01 0.24 0.02 0.00 -2.06 0.00 0.00 37.83 36.03 3d12 s LYS 162 CO 0.01 -0.14 -0.04 0.08 0.10 0.00 0.00 175.35 175.35 3d12 s VAL 163 N -3.78 0.70 0.20 1.79 1.01 -0.79 -4.71 120.40 114.82 3d12 s VAL 163 Ca 0.05 -0.12 -0.30 0.00 0.00 0.00 0.00 61.98 61.61 3d12 s VAL 163 Cb 0.06 -0.76 -0.08 0.00 0.00 0.00 0.00 36.38 35.61 3d12 s VAL 163 CO -0.10 0.30 0.96 -0.22 0.00 0.00 0.00 175.10 176.04 3d12 s LEU 164 N 1.55 4.60 -0.21 3.92 2.96 -0.87 -1.27 118.68 129.36 3d12 s LEU 164 Ca 0.00 1.92 0.02 0.00 -0.22 0.00 0.00 54.13 55.85 3d12 s LEU 164 Cb -0.13 -3.60 0.04 0.00 0.50 0.00 0.00 46.19 43.00 3d12 s LEU 164 CO -0.04 0.07 -0.13 -0.76 -1.32 0.00 0.00 176.35 174.16 3d12 s LEU 165 N -0.82 2.58 -0.35 -0.68 1.43 0.78 -1.69 118.68 119.92 3d12 s LEU 165 Ca 0.43 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.54 3d12 s LEU 165 Cb -0.26 -1.40 0.07 0.00 0.03 0.00 0.00 46.19 44.64 3d12 s LEU 165 CO 0.32 -0.12 0.10 -0.13 0.23 0.00 0.00 176.35 176.75 3d12 s ARG 166 N 1.28 2.26 -0.15 1.70 0.52 -0.79 -2.85 118.95 120.92 3d12 s ARG 166 Ca -0.02 -1.49 -0.17 0.00 -0.52 0.00 0.00 55.73 53.53 3d12 s ARG 166 Cb -0.16 -3.38 -0.04 0.00 0.52 0.00 0.00 34.95 31.88 3d12 s ARG 166 CO -0.09 -0.82 0.44 0.08 0.02 0.00 0.00 175.30 174.94 3d12 s VAL 167 N 1.22 5.20 0.03 3.52 1.01 -1.26 -3.42 120.40 126.70 3d12 s VAL 167 Ca 0.01 0.86 -0.22 0.00 0.00 0.00 0.00 61.98 62.63 3d12 s VAL 167 Cb -0.21 -3.78 -0.12 0.00 0.00 0.00 0.00 36.38 32.28 3d12 s VAL 167 CO -0.02 0.30 0.55 0.61 0.00 0.00 0.00 175.10 176.55 3d12 n GLY 168 N 3.47 -0.40 0.00 4.51 0.00 -0.38 -4.27 105.19 108.12 3d12 n GLY 168 Ca -0.08 0.39 0.00 0.00 0.00 0.00 0.00 46.02 46.33 3d12 n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26