#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 4.34 0.04 2.46 1.43 -1.26 -5.04 118.68 120.64 3d12 s LEU 30 Ca 0.00 1.29 -0.25 0.00 -1.03 0.00 0.00 54.13 54.14 3d12 s LEU 30 Cb 0.00 -3.17 -0.05 0.00 0.03 0.00 0.00 46.19 42.99 3d12 s LEU 30 CO 0.00 -0.13 0.77 -1.61 0.23 0.00 0.00 176.35 175.62 3d12 s GLU 31 N 0.76 4.50 0.54 1.70 0.41 -1.26 -4.96 118.70 120.40 3d12 s GLU 31 Ca 0.40 1.08 -0.22 0.00 -0.41 0.00 0.00 54.97 55.82 3d12 s GLU 31 Cb -0.18 -3.37 -0.05 0.00 -1.78 0.00 0.00 34.13 28.74 3d12 s GLU 31 CO 0.20 0.25 1.32 -2.14 -0.49 0.00 0.00 175.26 174.41 3d12 s PRO 32 N 0.05 3.19 -0.39 0.39 0.02 -1.26 -4.84 135.00 132.16 3d12 s PRO 32 Ca 0.39 2.15 -0.12 0.00 0.02 0.00 0.00 61.00 63.44 3d12 s PRO 32 Cb -0.20 -2.25 0.03 0.00 0.02 0.00 0.00 34.50 32.10 3d12 s PRO 32 CO 0.23 -1.12 0.24 0.08 -0.33 0.00 0.00 177.00 176.09 3d12 s VAL 33 N -1.35 4.80 -0.64 3.83 1.01 -0.68 -5.02 120.40 122.35 3d12 s VAL 33 Ca 0.71 -0.80 -0.25 0.00 0.00 0.00 0.00 61.98 61.64 3d12 s VAL 33 Cb -0.38 -3.68 0.05 0.00 0.00 0.00 0.00 36.38 32.36 3d12 s VAL 33 CO 0.45 -0.26 1.08 -0.31 0.00 0.00 0.00 175.10 176.06 3d12 s TYR 34 N 1.59 2.58 -1.29 5.22 1.51 -1.26 -0.94 117.35 124.77 3d12 s TYR 34 Ca 0.03 -0.14 -0.16 0.00 -1.01 0.00 0.00 57.07 55.79 3d12 s TYR 34 Cb -0.19 -4.36 0.09 0.00 -0.11 0.00 0.00 41.96 37.39 3d12 s TYR 34 CO 0.08 -1.69 1.71 1.87 -1.11 0.00 0.00 175.55 176.41 3d12 n TRP 35 N 8.23 4.61 -3.82 2.71 -0.00 0.24 -4.52 117.44 124.90 3d12 n TRP 35 Ca 0.01 -2.97 -0.09 0.00 -0.00 0.00 0.00 57.50 54.45 3d12 n TRP 35 Cb 0.47 -2.51 -0.03 0.00 -0.00 0.00 0.00 31.31 29.24 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 3.73 -0.24 0.56 5.87 2.20 -1.26 -4.80 114.94 121.01 3d12 s ASN 36 Ca 0.50 -0.60 0.26 0.00 -0.94 0.00 0.00 52.86 52.09 3d12 s ASN 36 Cb 0.03 0.63 1.54 0.00 -2.00 0.00 0.00 41.25 41.45 3d12 s ASN 36 CO 0.05 -1.16 2.09 0.77 -2.94 0.00 0.00 177.10 175.91 3d12 h SER 37 N 2.14 0.00 0.70 3.54 4.64 -1.96 -0.39 113.55 122.22 3d12 h SER 37 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 3d12 h SER 37 Cb 1.26 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.35 3d12 h SER 37 CO 0.33 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.29 3d12 h ALA 38 N 1.81 1.00 0.04 5.18 0.00 -1.90 -3.33 119.26 122.07 3d12 h ALA 38 Ca 0.11 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.04 3d12 h ALA 38 Cb 0.51 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.25 3d12 h ALA 38 CO -0.00 0.00 -0.31 -0.97 0.00 0.00 0.00 179.25 177.97 3d12 h ASN 39 N 0.00 -0.91 0.00 0.00 -0.73 -1.29 -3.46 115.58 109.19 3d12 h ASN 39 Ca 0.00 0.11 0.00 0.00 1.87 0.00 0.00 56.30 58.28 3d12 h ASN 39 Cb 0.35 0.36 0.00 0.00 0.27 0.00 0.00 38.32 39.30 3d12 h ASN 39 CO 0.00 -0.38 0.00 1.17 -0.37 0.00 0.00 177.43 177.85 3d12 n LYS 40 N -5.41 0.00 0.16 6.67 4.81 -1.25 -4.73 118.16 118.41 3d12 n LYS 40 Ca -0.06 0.00 0.13 0.00 -0.87 0.00 0.00 58.31 57.52 3d12 n LYS 40 Cb 0.32 -0.25 0.50 0.00 0.02 0.00 0.00 35.03 35.62 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 0.59 0.00 0.38 1.64 1.12 -1.94 -3.21 114.38 112.96 3d12 h ARG 41 Ca 0.00 0.00 -0.02 0.00 -1.11 0.00 0.00 59.98 58.85 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 -0.18 0.74 -3.11 0.00 0.00 179.97 177.42 3d12 h PHE 42 N 0.00 -0.48 -1.37 2.20 0.05 -1.87 -3.27 116.94 112.20 3d12 h PHE 42 Ca 0.00 -0.01 -0.66 0.00 3.82 0.00 0.00 57.97 61.12 3d12 h PHE 42 Cb 0.49 0.16 -0.25 0.00 2.00 0.00 0.00 35.95 38.35 3d12 h PHE 42 CO 0.00 -0.16 0.84 1.04 -0.18 0.00 0.00 178.31 179.85 3d12 n GLN 43 N -5.19 2.58 -0.07 1.51 6.02 -1.21 -4.50 117.38 116.51 3d12 n GLN 43 Ca -0.10 -3.08 0.00 0.00 -0.01 0.00 0.00 57.00 53.81 3d12 n GLN 43 Cb 0.28 -2.19 0.00 0.00 1.02 0.00 0.00 30.24 29.35 3d12 n GLN 43 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 3d12 n ALA 44 N -0.38 0.00 -0.18 -1.58 0.00 -1.23 -5.04 120.51 112.09 3d12 n ALA 44 Ca 0.54 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.98 3d12 n ALA 44 Cb 0.46 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.91 3d12 n ALA 44 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3d12 n GLU 45 N -0.09 0.00 -0.02 0.00 -0.58 -1.26 -3.93 120.64 114.76 3d12 n GLU 45 Ca 0.00 0.41 0.03 0.00 -0.42 0.00 0.00 57.16 57.18 3d12 n GLU 45 Cb 0.00 -1.18 0.38 0.00 -0.57 0.00 0.00 31.44 30.07 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 0.62 -0.35 0.62 0.00 -1.97 -3.47 103.07 98.52 3d12 h GLY 46 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 47.33 47.07 3d12 h GLY 46 CO 0.00 0.25 0.00 0.61 0.00 0.00 0.00 176.54 177.40 3d12 n GLY 47 N -1.36 0.93 2.65 4.60 0.00 -1.25 -4.75 105.19 106.02 3d12 n GLY 47 Ca 0.03 -0.21 -0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 -0.74 -2.27 -4.30 1.61 -0.00 -1.23 -4.63 117.16 105.60 3d12 n TYR 48 Ca 0.00 0.87 -0.35 0.00 -0.00 0.00 0.00 57.90 58.42 3d12 n TYR 48 Cb 0.16 -3.46 -0.10 0.00 -0.00 0.00 0.00 39.34 35.94 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 -2.94 4.39 -0.04 2.97 1.01 -1.26 -1.25 120.40 123.29 3d12 s VAL 49 Ca 0.01 -0.21 0.06 0.00 0.00 0.00 0.00 61.98 61.85 3d12 s VAL 49 Cb -0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 36.38 33.49 3d12 s VAL 49 CO 0.56 0.57 -0.22 -0.76 0.00 0.00 0.00 175.10 175.25 3d12 s LEU 50 N -0.58 2.03 -0.88 3.92 1.43 0.74 -4.94 118.68 120.40 3d12 s LEU 50 Ca 0.10 -0.43 -0.00 0.00 -1.03 0.00 0.00 54.13 52.77 3d12 s LEU 50 Cb -0.12 -1.20 0.25 0.00 0.03 0.00 0.00 46.19 45.16 3d12 s LEU 50 CO 0.02 0.24 0.97 -1.22 0.23 0.00 0.00 176.35 176.59 3d12 n TYR 51 N 2.78 3.54 -1.84 0.29 4.02 -1.26 -1.10 117.16 123.59 3d12 n TYR 51 Ca -0.17 -3.72 -0.42 0.00 -0.01 0.00 0.00 57.90 53.59 3d12 n TYR 51 Cb 0.52 -1.00 -0.02 0.00 -0.02 0.00 0.00 39.34 38.81 3d12 n TYR 51 CO 0.00 0.00 0.00 -2.14 -1.01 0.00 0.00 176.86 173.71 3d12 s PRO 52 N -2.09 4.17 0.43 -0.72 0.02 -1.19 -4.82 135.00 130.80 3d12 s PRO 52 Ca 0.32 2.49 -0.17 0.00 0.02 0.00 0.00 61.00 63.66 3d12 s PRO 52 Cb 0.03 -3.08 -0.09 0.00 0.02 0.00 0.00 34.50 31.37 3d12 s PRO 52 CO -0.03 -0.62 0.89 -0.65 -0.33 0.00 0.00 177.00 176.26 3d12 s GLN 53 N 0.37 4.04 0.04 5.54 -1.52 -1.26 -0.57 119.66 126.29 3d12 s GLN 53 Ca 0.67 0.89 -0.30 0.00 -1.95 0.00 0.00 55.36 54.67 3d12 s GLN 53 Cb -0.46 -2.24 -0.08 0.00 -0.22 0.00 0.00 33.01 30.00 3d12 s GLN 53 CO 0.39 -0.07 1.80 0.42 -0.25 0.00 0.00 175.29 177.58 3d12 s ILE 54 N -2.30 3.05 0.00 1.08 1.01 -1.26 -1.80 121.20 120.97 3d12 s ILE 54 Ca 0.58 0.28 0.00 0.00 0.00 0.00 0.00 60.65 61.51 3d12 s ILE 54 Cb -0.10 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.19 3d12 s ILE 54 CO 0.22 -0.01 0.00 0.61 0.00 0.00 0.00 174.94 175.76 3d12 n GLY 55 N 4.27 2.45 3.70 6.18 0.00 0.37 -5.05 105.19 117.11 3d12 n GLY 55 Ca 0.18 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.39 3.42 0.21 1.61 1.01 -0.74 -4.61 116.67 116.18 3d12 s ASP 56 Ca 0.00 1.94 0.08 0.00 0.71 0.00 0.00 52.55 55.28 3d12 s ASP 56 Cb 0.00 -2.49 -0.04 0.00 1.01 0.00 0.00 42.92 41.40 3d12 s ASP 56 CO 0.00 -2.74 -0.01 -0.13 0.21 0.00 0.00 175.17 172.50 3d12 s ARG 57 N -4.76 2.34 -0.05 8.23 0.52 -1.26 -0.94 118.95 123.03 3d12 s ARG 57 Ca 0.64 -1.23 -0.02 0.00 -0.52 0.00 0.00 55.73 54.61 3d12 s ARG 57 Cb -0.20 -2.28 0.04 0.00 0.52 0.00 0.00 34.95 33.03 3d12 s ARG 57 CO 0.58 0.42 0.10 -1.17 0.02 0.00 0.00 175.30 175.24 3d12 s LEU 58 N -3.20 0.34 -0.19 2.53 0.20 0.67 -4.71 118.68 114.32 3d12 s LEU 58 Ca 0.29 0.18 -0.05 0.00 0.69 0.00 0.00 54.13 55.23 3d12 s LEU 58 Cb -0.08 0.08 -0.03 0.00 -0.43 0.00 0.00 46.19 45.73 3d12 s LEU 58 CO 0.19 -0.21 0.01 -1.81 -0.29 0.00 0.00 176.35 174.24 3d12 s ASP 59 N 1.84 4.98 -0.22 3.68 1.01 -1.26 -0.86 116.67 125.84 3d12 s ASP 59 Ca -0.00 -0.14 -0.08 0.00 0.71 0.00 0.00 52.55 53.03 3d12 s ASP 59 Cb -0.12 -1.85 -0.04 0.00 1.01 0.00 0.00 42.92 41.92 3d12 s ASP 59 CO -0.04 0.09 0.08 -0.76 0.21 0.00 0.00 175.17 174.75 3d12 s LEU 60 N 0.83 3.66 -0.11 1.23 1.43 0.84 -1.69 118.68 124.87 3d12 s LEU 60 Ca 0.01 -0.06 0.01 0.00 -1.03 0.00 0.00 54.13 53.06 3d12 s LEU 60 Cb -0.14 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.10 3d12 s LEU 60 CO 0.02 0.06 -0.15 -0.76 0.23 0.00 0.00 176.35 175.75 3d12 s LEU 61 N 1.08 2.64 -0.61 1.79 1.43 -0.11 -1.17 118.68 123.73 3d12 s LEU 61 Ca 0.05 -0.34 -0.01 0.00 -1.03 0.00 0.00 54.13 52.80 3d12 s LEU 61 Cb -0.14 -1.58 0.16 0.00 0.03 0.00 0.00 46.19 44.66 3d12 s LEU 61 CO 0.03 0.19 0.41 0.00 0.23 0.00 0.00 176.35 177.21 3d12 s PRO 63 N -0.17 4.30 0.00 0.00 0.02 -1.26 -1.62 135.00 136.27 3d12 s PRO 63 Ca 0.17 1.45 0.00 0.00 0.02 0.00 0.00 61.00 62.64 3d12 s PRO 63 Cb -0.21 -3.63 0.00 0.00 0.02 0.00 0.00 34.50 30.68 3d12 s PRO 63 CO -0.03 -0.55 0.00 0.54 -0.33 0.00 0.00 177.00 176.63 3d12 n ARG 64 N 5.96 0.00 -0.37 5.54 5.12 -1.01 -4.72 116.66 127.18 3d12 n ARG 64 Ca 0.11 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 56.03 3d12 n ARG 64 Cb 0.46 0.00 0.00 0.00 -1.16 0.00 0.00 32.46 31.76 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 0.34 0.00 -0.04 7.54 0.00 -1.26 -4.48 120.51 122.61 3d12 n ALA 65 Ca 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 53.44 53.42 3d12 n ALA 65 Cb 0.00 -0.65 -0.01 0.00 0.00 0.00 0.00 19.45 18.79 3d12 n ALA 65 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 3d12 h ARG 66 N 0.52 0.00 -5.43 0.00 9.65 -1.83 -3.38 114.38 113.91 3d12 h ARG 66 Ca 0.00 0.00 -0.69 0.00 -1.10 0.00 0.00 59.98 58.19 3d12 h ARG 66 Cb 0.00 0.00 -0.13 0.00 -1.39 0.00 0.00 29.97 28.45 3d12 h ARG 66 CO 0.00 0.00 1.64 -2.14 2.80 0.00 0.00 179.97 182.27 3d12 s PRO 67 N -1.65 3.91 0.02 0.20 0.02 -1.26 -5.01 135.00 131.23 3d12 s PRO 67 Ca -0.07 -2.02 -0.30 0.00 0.02 0.00 0.00 61.00 58.62 3d12 s PRO 67 Cb 0.01 -5.28 -0.08 0.00 0.02 0.00 0.00 34.50 29.18 3d12 s PRO 67 CO 0.11 -2.03 1.79 -2.14 -0.33 0.00 0.00 177.00 174.40 3d12 s PRO 68 N 3.28 4.17 0.12 5.54 0.02 -1.26 -5.03 135.00 141.84 3d12 s PRO 68 Ca 0.46 2.41 0.01 0.00 0.02 0.00 0.00 61.00 63.91 3d12 s PRO 68 Cb 0.00 -3.95 0.01 0.00 0.02 0.00 0.00 34.50 30.58 3d12 s PRO 68 CO 0.00 -0.87 0.08 0.41 -0.33 0.00 0.00 177.00 176.30 3d12 n GLY 69 N 4.27 3.11 3.55 0.52 0.00 -1.26 -4.99 105.19 110.39 3d12 n GLY 69 Ca 0.18 -2.20 -0.29 0.00 0.00 0.00 0.00 46.02 43.71 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 -2.49 -0.39 0.00 1.61 0.02 -1.26 -3.11 135.00 129.38 3d12 s PRO 70 Ca 0.06 0.86 0.00 0.00 0.02 0.00 0.00 61.00 61.94 3d12 s PRO 70 Cb -0.00 -1.61 0.00 0.00 0.02 0.00 0.00 34.50 32.90 3d12 s PRO 70 CO 0.04 -3.38 0.00 0.72 -0.33 0.00 0.00 177.00 174.05 3d12 n HIS 71 N -4.68 0.00 -1.96 6.54 8.25 -1.26 -4.95 115.22 117.16 3d12 n HIS 71 Ca 0.04 0.00 -0.29 0.00 -0.26 0.00 0.00 57.72 57.21 3d12 n HIS 71 Cb 0.55 -0.26 0.06 0.00 1.12 0.00 0.00 29.99 31.46 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 -1.20 5.09 0.20 0.41 1.04 -1.18 -4.82 113.70 113.23 3d12 s SER 72 Ca 0.00 0.92 0.08 0.00 0.48 0.00 0.00 55.95 57.43 3d12 s SER 72 Cb 0.00 -1.62 -0.04 0.00 0.10 0.00 0.00 66.02 64.46 3d12 s SER 72 CO 0.00 -1.53 0.02 -0.94 0.98 0.00 0.00 173.24 171.77 3d12 s SER 73 N -4.44 4.81 0.05 7.02 1.04 -1.26 -4.83 113.70 116.08 3d12 s SER 73 Ca 0.59 -0.42 -0.09 0.00 0.48 0.00 0.00 55.95 56.51 3d12 s SER 73 Cb -0.11 -1.03 -0.02 0.00 0.10 0.00 0.00 66.02 64.96 3d12 s SER 73 CO 0.50 0.06 0.47 -2.65 0.98 0.00 0.00 173.24 172.60 3d12 n PRO 74 N -0.34 -0.13 -2.92 4.02 -0.02 -1.26 -4.48 135.00 129.88 3d12 n PRO 74 Ca -0.09 0.46 -0.10 0.00 -2.02 0.00 0.00 63.50 61.75 3d12 n PRO 74 Cb 0.56 -0.68 -0.03 0.00 -0.02 0.00 0.00 33.50 33.34 3d12 n PRO 74 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3d12 n SER 75 N -4.24 1.79 -4.71 2.55 3.41 -1.26 -5.08 113.62 106.07 3d12 n SER 75 Ca 0.01 -1.79 -0.41 0.00 -0.26 0.00 0.00 58.87 56.41 3d12 n SER 75 Cb 0.08 0.25 -0.04 0.00 -0.26 0.00 0.00 64.21 64.24 3d12 n SER 75 CO 0.00 0.00 0.00 -0.47 -0.16 0.00 0.00 175.04 174.41 3d12 s TYR 76 N -1.87 3.66 -0.23 7.33 5.04 -1.26 -5.01 117.35 125.01 3d12 s TYR 76 Ca 0.04 1.61 -0.05 0.00 -2.44 0.00 0.00 57.07 56.22 3d12 s TYR 76 Cb 0.00 -3.04 -0.01 0.00 0.35 0.00 0.00 41.96 39.26 3d12 s TYR 76 CO 0.03 0.04 -0.01 -1.21 -1.34 0.00 0.00 175.55 173.05 3d12 s GLU 77 N 0.85 3.46 -0.27 4.97 2.02 -1.26 -4.98 118.70 123.49 3d12 s GLU 77 Ca 0.48 -0.58 -0.27 0.00 0.02 0.00 0.00 54.97 54.62 3d12 s GLU 77 Cb -0.20 -3.10 0.01 0.00 0.10 0.00 0.00 34.13 30.93 3d12 s GLU 77 CO 0.26 -0.19 0.97 -0.06 0.02 0.00 0.00 175.26 176.25 3d12 s PHE 78 N 1.51 3.25 0.04 1.61 0.40 -0.88 -4.98 117.98 118.93 3d12 s PHE 78 Ca 0.06 1.20 0.02 0.00 -0.60 0.00 0.00 56.93 57.61 3d12 s PHE 78 Cb -0.14 -3.35 -0.02 0.00 0.51 0.00 0.00 43.02 40.01 3d12 s PHE 78 CO -0.01 -0.57 -0.07 0.71 0.70 0.00 0.00 175.22 175.97 3d12 s TYR 79 N 3.23 0.63 -0.11 0.36 4.12 -1.26 -3.45 117.35 120.88 3d12 s TYR 79 Ca 0.41 -0.47 0.03 0.00 0.02 0.00 0.00 57.07 57.05 3d12 s TYR 79 Cb -0.14 -0.38 -0.00 0.00 -1.52 0.00 0.00 41.96 39.92 3d12 s TYR 79 CO 0.10 -0.09 -0.21 0.15 0.02 0.00 0.00 175.55 175.53 3d12 s LYS 80 N -1.48 3.12 -0.27 -0.62 1.02 -1.26 -0.71 119.74 119.54 3d12 s LYS 80 Ca -0.10 -0.83 -0.11 0.00 0.02 0.00 0.00 55.97 54.95 3d12 s LYS 80 Cb -0.09 -2.39 -0.05 0.00 -0.52 0.00 0.00 37.83 34.77 3d12 s LYS 80 CO 0.00 0.16 0.18 -0.51 -0.92 0.00 0.00 175.35 174.26 3d12 s LEU 81 N 0.41 3.99 -0.04 3.17 1.43 -0.32 -4.18 118.68 123.14 3d12 s LEU 81 Ca -0.16 -0.01 0.02 0.00 -1.03 0.00 0.00 54.13 52.95 3d12 s LEU 81 Cb -0.17 -2.11 -0.03 0.00 0.03 0.00 0.00 46.19 43.91 3d12 s LEU 81 CO 0.07 -0.04 -0.08 -0.31 0.23 0.00 0.00 176.35 176.23 3d12 s TYR 82 N 1.67 2.90 -0.13 0.29 1.51 -0.30 -0.12 117.35 123.16 3d12 s TYR 82 Ca 0.07 -0.02 -0.15 0.00 -1.01 0.00 0.00 57.07 55.96 3d12 s TYR 82 Cb -0.16 -1.66 -0.05 0.00 -0.11 0.00 0.00 41.96 39.98 3d12 s TYR 82 CO 0.10 0.33 0.35 -1.17 -1.11 0.00 0.00 175.55 174.05 3d12 s LEU 83 N -1.03 4.28 0.07 -1.29 2.96 -0.07 -1.04 118.68 122.57 3d12 s LEU 83 Ca 0.14 0.63 -0.02 0.00 -0.22 0.00 0.00 54.13 54.67 3d12 s LEU 83 Cb -0.11 -2.48 -0.04 0.00 0.50 0.00 0.00 46.19 44.07 3d12 s LEU 83 CO 0.04 0.10 0.02 -0.69 -1.32 0.00 0.00 176.35 174.49 3d12 s VAL 84 N 0.34 0.19 0.33 1.68 1.01 0.94 -4.07 120.40 120.81 3d12 s VAL 84 Ca 0.20 -1.76 0.05 0.00 0.00 0.00 0.00 61.98 60.47 3d12 s VAL 84 Cb -0.14 -1.61 0.30 0.00 0.00 0.00 0.00 36.38 34.93 3d12 s VAL 84 CO 0.06 -0.84 1.88 -0.33 0.00 0.00 0.00 175.10 175.87 3d12 h GLU 85 N 3.04 0.81 0.00 2.72 4.39 -1.88 -1.31 114.58 122.35 3d12 h GLU 85 Ca -0.34 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.31 3d12 h GLU 85 Cb 1.16 -0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.63 3d12 h GLU 85 CO 0.63 0.53 0.00 0.41 -1.16 0.00 0.00 179.01 179.43 3d12 n GLY 86 N -1.41 2.95 0.34 -3.84 0.00 -1.25 -4.30 105.19 97.67 3d12 n GLY 86 Ca 0.16 -0.84 -0.01 0.00 0.00 0.00 0.00 46.02 45.34 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 1.35 0.00 4.61 0.00 -1.91 -0.80 119.26 122.51 3d12 h ALA 87 Ca 0.00 -0.11 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3d12 h ALA 87 Cb 0.00 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.49 3d12 h ALA 87 CO 0.00 0.53 -0.51 1.96 0.00 0.00 0.00 179.25 181.23 3d12 h GLN 88 N 0.98 0.00 0.05 0.00 4.20 -1.85 -2.42 115.11 116.07 3d12 h GLN 88 Ca 0.25 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.96 3d12 h GLN 88 Cb 0.03 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.81 3d12 h GLN 88 CO -0.04 0.51 -0.02 0.78 -0.67 0.00 0.00 178.83 179.39 3d12 h GLY 89 N 1.87 -0.06 -0.45 3.46 0.00 -1.63 -0.18 103.07 106.07 3d12 h GLY 89 Ca -0.01 0.02 0.05 0.00 0.00 0.00 0.00 47.33 47.40 3d12 h GLY 89 CO 0.07 -0.02 -0.45 3.21 0.00 0.00 0.00 176.54 179.35 3d12 h ARG 90 N -0.34 -0.22 0.00 4.80 3.08 -1.09 -0.19 114.38 120.42 3d12 h ARG 90 Ca -0.01 0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3d12 h ARG 90 Cb 0.31 0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.41 3d12 h ARG 90 CO 0.01 -0.15 0.00 0.54 -1.07 0.00 0.00 179.97 179.30 3d12 n ARG 91 N -4.80 0.05 -4.05 0.04 1.74 -0.92 -4.81 116.66 103.92 3d12 n ARG 91 Ca -0.02 0.14 -0.27 0.00 -0.77 0.00 0.00 57.85 56.94 3d12 n ARG 91 Cb 0.25 -1.50 -0.04 0.00 -1.02 0.00 0.00 32.46 30.15 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 -6.76 0.25 -0.09 0.00 2.12 -0.12 0.21 118.70 114.31 3d12 s GLU 93 Ca 0.01 0.35 -0.00 0.00 0.36 0.00 0.00 54.97 55.69 3d12 s GLU 93 Cb -0.01 0.08 -0.03 0.00 0.26 0.00 0.00 34.13 34.44 3d12 s GLU 93 CO 0.92 -0.05 -0.06 0.00 -0.54 0.00 0.00 175.26 175.52 3d12 s ALA 94 N 0.31 3.00 0.93 6.30 0.00 -0.55 -4.49 121.76 127.26 3d12 s ALA 94 Ca -0.02 -0.87 -0.11 0.00 0.00 0.00 0.00 51.96 50.96 3d12 s ALA 94 Cb -0.03 -1.30 0.15 0.00 0.00 0.00 0.00 23.12 21.93 3d12 s ALA 94 CO -0.01 0.50 1.10 -2.14 0.00 0.00 0.00 175.76 175.22 3d12 s PRO 95 N -0.58 0.96 0.40 0.00 0.02 -1.26 -4.83 135.00 129.71 3d12 s PRO 95 Ca 0.09 1.20 -0.27 0.00 0.02 0.00 0.00 61.00 62.03 3d12 s PRO 95 Cb -0.12 -1.75 -0.10 0.00 0.02 0.00 0.00 34.50 32.56 3d12 s PRO 95 CO 0.02 -2.55 1.44 -2.14 -0.33 0.00 0.00 177.00 173.44 3d12 s PRO 96 N -4.73 3.98 -1.01 5.54 0.02 -1.26 -2.81 135.00 134.73 3d12 s PRO 96 Ca 0.65 2.47 -0.11 0.00 0.02 0.00 0.00 61.00 64.03 3d12 s PRO 96 Cb -0.21 -2.86 -0.02 0.00 0.02 0.00 0.00 34.50 31.43 3d12 s PRO 96 CO 0.59 -0.60 0.80 0.00 -0.33 0.00 0.00 177.00 177.45 3d12 n ALA 97 N 0.25 -2.55 -1.41 -1.55 0.00 -1.26 -4.98 120.51 109.00 3d12 n ALA 97 Ca 0.02 -0.09 -0.29 0.00 0.00 0.00 0.00 53.44 53.08 3d12 n ALA 97 Cb 0.40 -3.81 0.14 0.00 0.00 0.00 0.00 19.45 16.18 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 -4.88 1.18 -1.19 0.00 0.02 -1.12 -4.95 135.00 124.05 3d12 s PRO 98 Ca 0.34 0.48 -0.19 0.00 0.02 0.00 0.00 61.00 61.65 3d12 s PRO 98 Cb -0.09 -1.83 0.08 0.00 0.02 0.00 0.00 34.50 32.68 3d12 s PRO 98 CO 0.81 -2.21 1.60 1.21 -0.33 0.00 0.00 177.00 178.07 3d12 s ASN 99 N -3.79 6.75 -0.43 2.53 2.47 -1.26 -4.97 114.94 116.24 3d12 s ASN 99 Ca 0.63 -2.19 -0.29 0.00 0.42 0.00 0.00 52.86 51.43 3d12 s ASN 99 Cb -0.16 -2.55 0.02 0.00 -1.45 0.00 0.00 41.25 37.11 3d12 s ASN 99 CO 0.55 -1.22 1.26 -0.22 -3.72 0.00 0.00 177.10 173.74 3d12 s LEU 100 N 4.11 3.64 -0.09 3.21 2.96 -1.26 -0.89 118.68 130.36 3d12 s LEU 100 Ca 0.50 0.68 -0.22 0.00 -0.22 0.00 0.00 54.13 54.86 3d12 s LEU 100 Cb 0.02 -3.54 -0.28 0.00 0.50 0.00 0.00 46.19 42.88 3d12 s LEU 100 CO 0.01 -1.30 0.75 -0.07 -1.32 0.00 0.00 176.35 174.42 3d12 h LEU 101 N 11.55 0.30 -7.12 -0.68 3.38 -0.88 -3.48 115.31 118.39 3d12 h LEU 101 Ca -0.25 -0.92 -0.09 0.00 0.09 0.00 0.00 57.88 56.72 3d12 h LEU 101 Cb 1.08 -0.10 -0.27 0.00 0.09 0.00 0.00 40.66 41.46 3d12 h LEU 101 CO 1.10 1.35 -0.36 -0.22 0.09 0.00 0.00 178.44 180.40 3d12 s LEU 102 N -7.90 -0.66 -0.18 1.67 2.96 -1.20 -4.93 118.68 108.44 3d12 s LEU 102 Ca -0.17 1.01 -0.11 0.00 -0.22 0.00 0.00 54.13 54.65 3d12 s LEU 102 Cb 0.01 1.39 -0.05 0.00 0.50 0.00 0.00 46.19 48.04 3d12 s LEU 102 CO 0.77 -0.23 0.18 -0.89 -1.32 0.00 0.00 176.35 174.86 3d12 s THR 103 N 2.62 5.39 -0.95 3.68 2.01 -1.26 -1.17 115.64 125.94 3d12 s THR 103 Ca -0.02 0.30 -0.03 0.00 0.31 0.00 0.00 61.69 62.25 3d12 s THR 103 Cb -0.12 -3.51 0.24 0.00 0.01 0.00 0.00 72.50 69.12 3d12 s THR 103 CO -0.13 0.45 0.92 0.00 -0.69 0.00 0.00 174.62 175.17 3d12 n ASP 105 N 2.21 0.90 -4.02 0.00 8.00 -1.26 -4.04 116.55 118.35 3d12 n ASP 105 Ca 0.23 -0.87 -0.32 0.00 0.71 0.00 0.00 54.79 54.54 3d12 n ASP 105 Cb 0.37 0.95 -0.14 0.00 -0.02 0.00 0.00 41.12 42.29 3d12 n ASP 105 CO 0.00 0.00 0.00 -0.13 -0.39 0.00 0.00 177.20 176.68 3d12 s ARG 106 N -3.02 1.82 0.54 -1.24 1.81 -1.26 -4.93 118.95 112.67 3d12 s ARG 106 Ca 0.08 -2.15 0.32 0.00 -1.72 0.00 0.00 55.73 52.26 3d12 s ARG 106 Cb 0.16 -3.36 1.39 0.00 -0.45 0.00 0.00 34.95 32.69 3d12 s ARG 106 CO 0.85 -1.04 2.00 -1.35 -0.68 0.00 0.00 175.30 175.08 3d12 h PRO 107 N 7.31 0.00 -0.15 3.54 0.11 -1.91 -3.07 132.00 137.83 3d12 h PRO 107 Ca -0.06 0.00 -0.12 0.00 0.11 0.00 0.00 66.00 65.93 3d12 h PRO 107 Cb 0.98 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.09 3d12 h PRO 107 CO 0.62 0.05 -0.37 -0.44 -0.21 0.00 0.00 178.00 177.64 3d12 h ASP 108 N 0.00 0.58 -2.37 -2.05 3.32 -1.92 -3.10 116.42 110.88 3d12 h ASP 108 Ca -0.00 -0.58 -0.46 0.00 0.02 0.00 0.00 57.03 56.01 3d12 h ASP 108 Cb 0.50 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 39.88 3d12 h ASP 108 CO 0.01 1.06 -0.30 -0.76 -1.72 0.00 0.00 179.24 177.52 3d12 s LEU 109 N -8.77 4.09 0.03 1.55 1.43 -1.16 -4.75 118.68 111.10 3d12 s LEU 109 Ca -0.13 0.17 -0.23 0.00 -1.03 0.00 0.00 54.13 52.91 3d12 s LEU 109 Cb 0.06 -3.01 -0.06 0.00 0.03 0.00 0.00 46.19 43.21 3d12 s LEU 109 CO 0.81 -0.27 0.68 -1.81 0.23 0.00 0.00 176.35 175.99 3d12 s ASP 110 N -4.06 7.11 -0.05 2.29 1.01 -1.26 -2.42 116.67 119.30 3d12 s ASP 110 Ca 0.39 1.32 0.06 0.00 0.71 0.00 0.00 52.55 55.04 3d12 s ASP 110 Cb -0.09 -2.42 -0.01 0.00 1.01 0.00 0.00 42.92 41.40 3d12 s ASP 110 CO 0.32 0.07 -0.25 -0.76 0.21 0.00 0.00 175.17 174.77 3d12 s LEU 111 N -0.19 2.11 0.01 1.23 1.43 -0.64 -4.90 118.68 117.73 3d12 s LEU 111 Ca 0.35 -0.48 -0.04 0.00 -1.03 0.00 0.00 54.13 52.93 3d12 s LEU 111 Cb -0.20 -1.38 -0.01 0.00 0.03 0.00 0.00 46.19 44.64 3d12 s LEU 111 CO 0.20 0.27 0.06 0.00 0.23 0.00 0.00 176.35 177.12 3d12 s ARG 112 N -0.31 0.41 0.06 1.70 1.70 -1.26 0.21 118.95 121.47 3d12 s ARG 112 Ca 0.01 -0.50 0.05 0.00 -0.47 0.00 0.00 55.73 54.82 3d12 s ARG 112 Cb -0.13 0.16 -0.03 0.00 -0.57 0.00 0.00 34.95 34.39 3d12 s ARG 112 CO 0.02 -0.09 -0.15 0.12 -1.08 0.00 0.00 175.30 174.13 3d12 s PHE 113 N -1.46 1.27 -0.07 5.89 5.36 -0.32 -4.95 117.98 123.70 3d12 s PHE 113 Ca -0.15 -0.41 0.00 0.00 -0.96 0.00 0.00 56.93 55.41 3d12 s PHE 113 Cb -0.08 -0.73 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 3d12 s PHE 113 CO 0.00 0.06 -0.05 0.99 -1.46 0.00 0.00 175.22 174.76 3d12 s THR 114 N -1.08 0.70 -0.10 0.12 2.01 -1.26 -0.11 115.64 115.91 3d12 s THR 114 Ca 0.00 -0.15 -0.02 0.00 0.31 0.00 0.00 61.69 61.84 3d12 s THR 114 Cb -0.09 -0.74 -0.03 0.00 0.01 0.00 0.00 72.50 71.65 3d12 s THR 114 CO 0.02 0.29 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.57 3d12 s ILE 115 N 1.38 3.94 -0.25 1.82 1.01 -0.04 -4.93 121.20 124.14 3d12 s ILE 115 Ca -0.03 -0.37 -0.07 0.00 0.00 0.00 0.00 60.65 60.18 3d12 s ILE 115 Cb -0.13 -2.67 -0.03 0.00 0.01 0.00 0.00 42.46 39.64 3d12 s ILE 115 CO -0.03 0.56 0.06 -0.75 0.00 0.00 0.00 174.94 174.78 3d12 s LYS 116 N -0.40 3.63 -0.84 2.79 2.20 -1.26 -0.24 119.74 125.63 3d12 s LYS 116 Ca 0.07 -0.49 -0.25 0.00 -0.36 0.00 0.00 55.97 54.94 3d12 s LYS 116 Cb -0.12 -3.30 -0.06 0.00 -1.51 0.00 0.00 37.83 32.84 3d12 s LYS 116 CO 0.02 -0.19 2.02 -0.06 -0.36 0.00 0.00 175.35 176.79 3d12 s PHE 117 N 1.60 1.66 0.20 4.03 0.40 -0.12 -4.75 117.98 121.01 3d12 s PHE 117 Ca 0.06 0.89 -0.24 0.00 -0.60 0.00 0.00 56.93 57.04 3d12 s PHE 117 Cb -0.15 -3.94 0.05 0.00 0.51 0.00 0.00 43.02 39.49 3d12 s PHE 117 CO 0.03 -1.81 0.87 -1.14 0.70 0.00 0.00 175.22 173.87 3d12 s GLN 118 N 7.34 1.40 0.08 0.44 0.74 -1.26 -0.48 119.66 127.92 3d12 s GLN 118 Ca 0.74 -0.77 0.14 0.00 0.05 0.00 0.00 55.36 55.52 3d12 s GLN 118 Cb -0.09 0.48 -0.14 0.00 1.10 0.00 0.00 33.01 34.36 3d12 s GLN 118 CO 0.04 -0.64 0.95 1.49 -0.55 0.00 0.00 175.29 176.57 3d12 h GLU 119 N 2.00 0.00 -6.13 1.67 4.81 -2.04 -3.47 114.58 111.42 3d12 h GLU 119 Ca -0.22 0.00 -0.57 0.00 -0.13 0.00 0.00 59.36 58.44 3d12 h GLU 119 Cb 1.24 0.00 -0.03 0.00 0.63 0.00 0.00 28.75 30.59 3d12 h GLU 119 CO 0.25 0.49 -0.37 0.71 -0.73 0.00 0.00 179.01 179.36 3d12 s TYR 120 N -2.81 3.49 -0.11 0.92 4.12 -1.26 -5.11 117.35 116.59 3d12 s TYR 120 Ca -0.02 0.40 -0.30 0.00 0.02 0.00 0.00 57.07 57.17 3d12 s TYR 120 Cb 0.08 -1.89 0.12 0.00 -1.52 0.00 0.00 41.96 38.76 3d12 s TYR 120 CO 0.81 0.45 0.96 0.45 0.02 0.00 0.00 175.55 178.23 3d12 s SER 121 N -2.74 -0.37 0.00 2.29 0.15 -1.26 -4.97 113.70 106.80 3d12 s SER 121 Ca 0.39 0.28 0.16 0.00 0.70 0.00 0.00 55.95 57.47 3d12 s SER 121 Cb -0.12 0.33 0.85 0.00 -1.71 0.00 0.00 66.02 65.37 3d12 s SER 121 CO 0.27 -0.44 1.43 -2.65 1.20 0.00 0.00 173.24 173.05 3d12 n PRO 122 N 0.40 0.31 -2.47 5.44 -0.02 -1.26 -4.77 135.00 132.63 3d12 n PRO 122 Ca -0.10 0.10 -0.41 0.00 -2.02 0.00 0.00 63.50 61.07 3d12 n PRO 122 Cb 0.59 -1.50 -0.04 0.00 -0.02 0.00 0.00 33.50 32.54 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 -2.40 7.18 0.00 2.55 2.47 -1.26 -4.97 114.94 118.51 3d12 s ASN 123 Ca 0.18 2.07 0.21 0.00 0.42 0.00 0.00 52.86 55.74 3d12 s ASN 123 Cb 0.11 -2.59 0.17 0.00 -1.45 0.00 0.00 41.25 37.48 3d12 s ASN 123 CO 0.22 -0.33 1.17 0.18 -3.72 0.00 0.00 177.10 174.62 3d12 n LEU 124 N 2.98 2.75 0.04 3.21 4.77 -1.26 -4.45 117.00 125.04 3d12 n LEU 124 Ca 0.05 -1.00 -0.01 0.00 -0.03 0.00 0.00 56.01 55.02 3d12 n LEU 124 Cb 0.46 0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 3d12 n LEU 124 CO 0.55 0.47 -0.23 -0.50 -1.33 0.00 0.00 177.39 176.34 3d12 h TRP 125 N 4.12 0.00 -4.07 -1.77 4.06 -1.98 -3.49 115.95 112.82 3d12 h TRP 125 Ca 0.00 0.00 -0.12 0.00 2.06 0.00 0.00 58.89 60.83 3d12 h TRP 125 Cb 0.88 0.00 0.09 0.00 -1.00 0.00 0.00 29.16 29.12 3d12 h TRP 125 CO 0.00 0.64 -0.38 0.41 -3.56 0.00 0.00 178.44 175.55 3d12 n GLY 126 N 1.40 -0.01 0.00 1.49 0.00 -1.26 -5.07 105.19 101.73 3d12 n GLY 126 Ca -0.09 0.09 0.00 0.00 0.00 0.00 0.00 46.02 46.01 3d12 n GLY 126 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3d12 n HIS 127 N -2.29 -0.03 0.00 1.61 8.25 -1.26 -5.13 115.22 116.37 3d12 n HIS 127 Ca -0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.42 3d12 n HIS 127 Cb 0.56 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.67 3d12 n HIS 127 CO 0.00 0.00 0.00 -0.85 0.64 0.00 0.00 176.34 176.13 3d12 n GLU 128 N 0.00 0.00 -3.36 -0.41 0.28 -1.26 -5.14 120.64 110.74 3d12 n GLU 128 Ca 0.00 0.00 -0.38 0.00 -0.16 0.00 0.00 57.16 56.62 3d12 n GLU 128 Cb 0.00 0.00 -0.06 0.00 1.43 0.00 0.00 31.44 32.81 3d12 n GLU 128 CO 0.00 0.00 0.00 -0.06 -0.16 0.00 0.00 177.13 176.91 3d12 s PHE 129 N -1.91 3.78 0.49 -1.84 0.40 -1.26 -5.10 117.98 112.54 3d12 s PHE 129 Ca 0.00 1.16 0.08 0.00 -0.60 0.00 0.00 56.93 57.58 3d12 s PHE 129 Cb 0.00 -2.42 0.04 0.00 0.51 0.00 0.00 43.02 41.16 3d12 s PHE 129 CO 0.00 0.61 0.67 1.03 0.70 0.00 0.00 175.22 178.23 3d12 s ARG 130 N -1.09 2.59 0.01 0.44 1.81 -1.26 -5.09 118.95 116.36 3d12 s ARG 130 Ca 0.27 -1.38 -0.23 0.00 -1.72 0.00 0.00 55.73 52.67 3d12 s ARG 130 Cb -0.18 -2.70 -0.05 0.00 -0.45 0.00 0.00 34.95 31.57 3d12 s ARG 130 CO 0.17 -0.54 0.69 -1.12 -0.68 0.00 0.00 175.30 173.82 3d12 s SER 131 N -4.48 7.09 -1.35 0.23 0.01 -1.26 -4.01 113.70 109.92 3d12 s SER 131 Ca 0.58 1.30 0.00 0.00 1.31 0.00 0.00 55.95 59.14 3d12 s SER 131 Cb -0.08 -2.42 0.00 0.00 0.21 0.00 0.00 66.02 63.73 3d12 s SER 131 CO 0.36 0.03 0.00 1.41 0.41 0.00 0.00 173.24 175.45 3d12 n HIS 132 N 2.92 0.00 -3.78 2.43 8.25 -1.26 -4.97 115.22 118.81 3d12 n HIS 132 Ca -0.04 0.00 -0.36 0.00 -0.26 0.00 0.00 57.72 57.06 3d12 n HIS 132 Cb 0.51 -2.65 -0.07 0.00 1.12 0.00 0.00 29.99 28.90 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 -2.24 3.51 0.01 4.41 4.02 -1.26 -5.09 115.29 118.66 3d12 s HIS 133 Ca 0.00 0.46 -0.23 0.00 1.02 0.00 0.00 55.06 56.31 3d12 s HIS 133 Cb 0.00 -2.08 -0.05 0.00 -1.02 0.00 0.00 32.58 29.43 3d12 s HIS 133 CO 0.00 0.50 0.70 -0.51 1.02 0.00 0.00 174.74 176.44 3d12 s ASP 134 N -0.30 7.10 0.35 1.40 1.11 -1.26 -4.59 116.67 120.48 3d12 s ASP 134 Ca 0.12 1.31 0.09 0.00 0.18 0.00 0.00 52.55 54.25 3d12 s ASP 134 Cb -0.12 -2.42 -0.06 0.00 1.07 0.00 0.00 42.92 41.39 3d12 s ASP 134 CO 0.02 0.03 -0.03 -0.31 1.18 0.00 0.00 175.17 176.06 3d12 s TYR 135 N 0.01 2.49 0.07 4.23 1.51 -0.90 -3.88 117.35 120.87 3d12 s TYR 135 Ca 0.36 -0.49 0.05 0.00 -1.01 0.00 0.00 57.07 55.98 3d12 s TYR 135 Cb -0.19 -1.49 -0.03 0.00 -0.11 0.00 0.00 41.96 40.14 3d12 s TYR 135 CO 0.20 0.51 -0.15 0.71 -1.11 0.00 0.00 175.55 175.71 3d12 s TYR 136 N -2.58 1.27 -0.13 2.71 1.51 -0.49 -0.51 117.35 119.13 3d12 s TYR 136 Ca 0.34 -0.43 -0.04 0.00 -1.01 0.00 0.00 57.07 55.93 3d12 s TYR 136 Cb 0.02 -0.72 -0.03 0.00 -0.11 0.00 0.00 41.96 41.12 3d12 s TYR 136 CO 0.18 0.06 0.02 0.42 -1.11 0.00 0.00 175.55 175.13 3d12 s ILE 137 N -1.17 4.47 0.05 2.71 1.01 -0.30 -0.04 121.20 127.93 3d12 s ILE 137 Ca -0.00 -0.17 -0.01 0.00 0.00 0.00 0.00 60.65 60.47 3d12 s ILE 137 Cb -0.10 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.40 3d12 s ILE 137 CO 0.02 0.54 -0.03 0.27 0.00 0.00 0.00 174.94 175.74 3d12 s ILE 138 N -0.27 0.20 -0.16 2.92 -4.36 -0.20 -1.01 121.20 118.31 3d12 s ILE 138 Ca 0.07 -1.67 0.01 0.00 -0.26 0.00 0.00 60.65 58.80 3d12 s ILE 138 Cb -0.12 -1.32 0.01 0.00 1.25 0.00 0.00 42.46 42.27 3d12 s ILE 138 CO 0.02 -0.92 -0.18 0.00 0.24 0.00 0.00 174.94 174.10 3d12 s ALA 139 N -3.54 2.39 -0.66 2.27 0.00 -1.09 -1.15 121.76 119.98 3d12 s ALA 139 Ca 0.03 -1.11 0.07 0.00 0.00 0.00 0.00 51.96 50.95 3d12 s ALA 139 Cb 0.05 -1.16 0.19 0.00 0.00 0.00 0.00 23.12 22.20 3d12 s ALA 139 CO -0.09 -0.13 1.12 0.25 0.00 0.00 0.00 175.76 176.91 3d12 n THR 140 N 4.24 0.89 -2.14 0.00 -2.24 -1.26 -1.13 114.28 112.64 3d12 n THR 140 Ca -0.20 -0.94 -0.28 0.00 -2.27 0.00 0.00 64.05 60.36 3d12 n THR 140 Cb 0.51 0.57 0.16 0.00 -2.10 0.00 0.00 70.33 69.48 3d12 n THR 140 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 3d12 s SER 141 N -0.96 3.49 0.00 3.42 1.04 -1.26 -2.82 113.70 116.62 3d12 s SER 141 Ca 0.15 0.05 0.23 0.00 0.48 0.00 0.00 55.95 56.86 3d12 s SER 141 Cb 0.08 -0.19 0.38 0.00 0.10 0.00 0.00 66.02 66.38 3d12 s SER 141 CO 0.10 -2.47 1.36 -0.90 0.98 0.00 0.00 173.24 172.32 3d12 n ASP 142 N -3.48 3.36 0.00 7.02 5.75 -1.12 0.05 116.55 128.13 3d12 n ASP 142 Ca 0.15 -1.98 0.00 0.00 -0.01 0.00 0.00 54.79 52.95 3d12 n ASP 142 Cb 0.60 -0.20 0.00 0.00 -1.03 0.00 0.00 41.12 40.48 3d12 n ASP 142 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3d12 n GLY 143 N 1.44 0.86 3.13 6.12 0.00 -1.22 -4.83 105.19 110.69 3d12 n GLY 143 Ca 0.18 -0.17 -0.22 0.00 0.00 0.00 0.00 46.02 45.81 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 1.17 0.55 2.61 -4.23 -1.25 -2.08 115.64 110.42 3d12 s THR 144 Ca 0.00 -0.77 0.36 0.00 -1.18 0.00 0.00 61.69 60.11 3d12 s THR 144 Cb 0.00 -1.00 0.54 0.00 1.34 0.00 0.00 72.50 73.38 3d12 s THR 144 CO 0.00 0.23 1.78 -0.09 -0.54 0.00 0.00 174.62 176.00 3d12 h ARG 145 N 5.48 0.00 0.05 3.99 2.43 -1.96 -1.85 114.38 122.52 3d12 h ARG 145 Ca -0.36 0.00 -0.14 0.00 -0.81 0.00 0.00 59.98 58.67 3d12 h ARG 145 Cb 1.17 0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.71 3d12 h ARG 145 CO 0.47 0.00 -0.70 0.93 -1.51 0.00 0.00 179.97 179.16 3d12 h GLU 146 N 0.00 0.10 -1.22 0.20 3.07 -1.98 -3.34 114.58 111.41 3d12 h GLU 146 Ca 0.54 -0.17 -0.31 0.00 -0.50 0.00 0.00 59.36 58.92 3d12 h GLU 146 Cb 2.26 0.06 -0.16 0.00 -0.84 0.00 0.00 28.75 30.07 3d12 h GLU 146 CO -0.01 1.08 0.40 0.41 -1.40 0.00 0.00 179.01 179.49 3d12 n GLY 147 N 1.61 3.75 0.15 -3.84 0.00 -0.72 -4.45 105.19 101.68 3d12 n GLY 147 Ca -0.19 -0.86 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 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 1.68 0.84 -0.60 0.99 5.85 -1.61 -2.97 115.31 119.50 3d12 h LEU 148 Ca 0.33 -0.90 0.00 0.00 0.84 0.00 0.00 57.88 58.15 3d12 h LEU 148 Cb 1.48 -0.27 0.00 0.00 0.37 0.00 0.00 40.66 42.24 3d12 h LEU 148 CO 0.70 1.70 0.00 -0.62 -0.34 0.00 0.00 178.44 179.88 3d12 n GLU 149 N -3.72 1.30 -2.35 1.25 -0.58 -1.26 -4.49 120.64 110.80 3d12 n GLU 149 Ca -0.17 -0.38 -0.41 0.00 -0.42 0.00 0.00 57.16 55.79 3d12 n GLU 149 Cb 1.10 -1.20 -0.03 0.00 -0.57 0.00 0.00 31.44 30.74 3d12 n GLU 149 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 3d12 s SER 150 N -0.79 7.08 0.00 1.62 0.15 -1.25 -4.96 113.70 115.55 3d12 s SER 150 Ca 0.07 2.37 0.12 0.00 0.70 0.00 0.00 55.95 59.22 3d12 s SER 150 Cb 0.04 -2.63 -0.04 0.00 -1.71 0.00 0.00 66.02 61.69 3d12 s SER 150 CO 0.04 -0.31 0.67 0.18 1.20 0.00 0.00 173.24 175.02 3d12 n LEU 151 N 1.48 1.17 -4.61 3.45 4.77 -1.26 -3.98 117.00 118.02 3d12 n LEU 151 Ca 0.01 -0.69 -0.34 0.00 -0.03 0.00 0.00 56.01 54.95 3d12 n LEU 151 Cb 0.44 0.00 -0.11 0.00 -2.33 0.00 0.00 43.42 41.42 3d12 n LEU 151 CO 0.56 0.24 -0.34 -1.58 -1.33 0.00 0.00 177.39 174.94 3d12 s GLN 152 N -1.74 3.12 0.00 3.23 0.74 -1.26 -1.49 119.66 122.27 3d12 s GLN 152 Ca 0.09 -0.47 0.00 0.00 0.05 0.00 0.00 55.36 55.03 3d12 s GLN 152 Cb 0.10 -2.78 0.00 0.00 1.10 0.00 0.00 33.01 31.43 3d12 s GLN 152 CO 0.37 0.57 0.00 0.41 -0.55 0.00 0.00 175.29 176.08 3d12 n GLY 153 N 2.55 0.00 0.00 2.59 0.00 0.56 -4.76 105.19 106.12 3d12 n GLY 153 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 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 0.45 0.34 -0.02 0.00 -1.13 -4.57 105.19 100.26 3d12 n GLY 154 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 46.02 46.20 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 0.24 -0.69 1.61 2.07 -0.47 0.93 116.25 119.94 3d12 h VAL 155 Ca 0.00 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.59 3d12 h VAL 155 Cb 0.00 0.83 -0.06 0.00 -1.52 0.00 0.00 31.29 30.54 3d12 h VAL 155 CO 0.00 0.00 0.37 0.00 0.02 0.00 0.00 177.57 177.96 3d12 h LEU 157 N 0.66 0.00 -0.43 0.00 3.38 -1.28 -3.00 115.31 114.64 3d12 h LEU 157 Ca 0.32 -0.37 0.05 0.00 0.09 0.00 0.00 57.88 57.97 3d12 h LEU 157 Cb 0.25 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.96 3d12 h LEU 157 CO -0.21 0.90 0.16 0.74 0.09 0.00 0.00 178.44 180.12 3d12 h THR 158 N -1.00 0.88 -0.14 0.22 2.02 -0.90 -3.13 112.91 110.86 3d12 h THR 158 Ca -0.08 -0.11 0.00 0.00 0.77 0.00 0.00 66.41 66.99 3d12 h THR 158 Cb 0.66 0.52 0.00 0.00 -1.74 0.00 0.00 68.15 67.58 3d12 h THR 158 CO -0.05 0.06 0.00 0.54 0.37 0.00 0.00 175.52 176.45 3d12 n ARG 159 N -5.00 2.33 -3.30 6.66 1.74 0.97 -4.97 116.66 115.10 3d12 n ARG 159 Ca 0.03 -2.42 -0.23 0.00 -0.77 0.00 0.00 57.85 54.46 3d12 n ARG 159 Cb 0.16 -1.51 0.01 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 -0.70 -0.50 2.76 -0.13 0.00 -0.94 -4.46 105.19 101.22 3d12 n GLY 160 Ca 0.15 0.10 -0.42 0.00 0.00 0.00 0.00 46.02 45.85 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 -3.84 3.10 -3.79 1.61 2.81 -0.75 -4.60 117.12 111.66 3d12 n MET 161 Ca -0.04 -2.86 -0.13 0.00 -1.81 0.00 0.00 57.70 52.86 3d12 n MET 161 Cb 0.56 -3.17 -0.13 0.00 -0.71 0.00 0.00 33.22 29.77 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 2.33 0.20 -0.07 0.03 -2.85 -1.26 -2.68 119.74 115.44 3d12 s LYS 162 Ca 0.45 0.32 0.01 0.00 -1.00 0.00 0.00 55.97 55.75 3d12 s LYS 162 Cb 0.13 0.04 -0.03 0.00 -2.06 0.00 0.00 37.83 35.91 3d12 s LYS 162 CO -0.06 -0.06 -0.10 0.08 0.10 0.00 0.00 175.35 175.31 3d12 s VAL 163 N 0.41 3.44 -0.18 1.79 1.01 -0.18 -4.73 120.40 121.96 3d12 s VAL 163 Ca -0.03 -0.57 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3d12 s VAL 163 Cb -0.04 -2.40 -0.05 0.00 0.00 0.00 0.00 36.38 33.90 3d12 s VAL 163 CO -0.02 0.58 0.20 -0.22 0.00 0.00 0.00 175.10 175.65 3d12 s LEU 164 N -0.61 4.23 -0.29 3.92 2.96 -0.38 -1.14 118.68 127.36 3d12 s LEU 164 Ca 0.09 0.36 -0.06 0.00 -0.22 0.00 0.00 54.13 54.30 3d12 s LEU 164 Cb -0.11 -2.21 0.01 0.00 0.50 0.00 0.00 46.19 44.37 3d12 s LEU 164 CO 0.02 0.15 0.06 -0.76 -1.32 0.00 0.00 176.35 174.50 3d12 s LEU 165 N 0.36 3.78 -0.39 -0.68 1.43 0.34 -0.19 118.68 123.32 3d12 s LEU 165 Ca 0.12 -0.75 -0.02 0.00 -1.03 0.00 0.00 54.13 52.45 3d12 s LEU 165 Cb -0.12 -1.85 0.10 0.00 0.03 0.00 0.00 46.19 44.35 3d12 s LEU 165 CO 0.01 -0.19 0.18 -0.13 0.23 0.00 0.00 176.35 176.45 3d12 s ARG 166 N 1.47 2.00 -0.01 1.70 0.52 -0.26 -2.12 118.95 122.26 3d12 s ARG 166 Ca 0.02 -1.78 -0.22 0.00 -0.52 0.00 0.00 55.73 53.24 3d12 s ARG 166 Cb -0.17 -3.52 -0.05 0.00 0.52 0.00 0.00 34.95 31.72 3d12 s ARG 166 CO 0.02 -1.02 0.64 0.08 0.02 0.00 0.00 175.30 175.04 3d12 s VAL 167 N 1.13 4.90 0.20 3.52 1.01 -1.26 -3.19 120.40 126.71 3d12 s VAL 167 Ca 0.07 1.35 -0.17 0.00 0.00 0.00 0.00 61.98 63.23 3d12 s VAL 167 Cb -0.22 -3.98 -0.11 0.00 0.00 0.00 0.00 36.38 32.06 3d12 s VAL 167 CO -0.04 0.38 0.23 0.61 0.00 0.00 0.00 175.10 176.27 3d12 n GLY 168 N 2.56 -1.53 0.00 4.51 0.00 0.26 -4.69 105.19 106.30 3d12 n GLY 168 Ca -0.05 0.13 0.00 0.00 0.00 0.00 0.00 46.02 46.10 3d12 n GLY 168 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26