#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1u1d s SER 2 N 0.00 5.39 -0.14 3.17 0.15 -1.26 -5.04 113.70 115.97 1u1d s SER 2 Ca 0.00 0.18 -0.07 0.00 0.70 0.00 0.00 55.95 56.76 1u1d s SER 2 Cb 0.00 -1.55 -0.06 0.00 -1.71 0.00 0.00 66.02 62.70 1u1d s SER 2 CO 0.00 0.38 -0.19 0.29 1.20 0.00 0.00 173.24 174.92 1u1d n LYS 3 N 2.07 0.30 -3.75 5.44 4.76 -1.26 -4.99 118.16 120.73 1u1d n LYS 3 Ca -0.18 0.13 -0.13 0.00 -2.87 0.00 0.00 58.31 55.26 1u1d n LYS 3 Cb 0.54 -1.01 -0.11 0.00 -1.84 0.00 0.00 35.03 32.61 1u1d n LYS 3 CO 0.00 0.00 0.00 0.45 -1.37 0.00 0.00 177.40 176.48 1u1d s SER 4 N -6.27 -0.36 0.00 4.39 0.15 -1.26 -4.07 113.70 106.28 1u1d s SER 4 Ca -0.20 0.70 0.22 0.00 0.70 0.00 0.00 55.95 57.37 1u1d s SER 4 Cb 0.07 0.70 -0.04 0.00 -1.71 0.00 0.00 66.02 65.04 1u1d s SER 4 CO 0.25 -0.13 1.05 0.47 1.20 0.00 0.00 173.24 176.08 1u1d n ASP 5 N 3.01 1.42 -4.43 5.45 10.43 0.25 -4.91 116.55 127.76 1u1d n ASP 5 Ca -0.14 -1.17 -0.21 0.00 2.57 0.00 0.00 54.79 55.83 1u1d n ASP 5 Cb 0.57 0.69 -0.10 0.00 1.84 0.00 0.00 41.12 44.12 1u1d n ASP 5 CO 0.00 0.00 0.00 0.68 -1.07 0.00 0.00 177.20 176.81 1u1d s VAL 6 N -2.75 1.63 0.18 2.53 -7.23 -1.24 -5.06 120.40 108.47 1u1d s VAL 6 Ca 0.14 -2.12 0.01 0.00 -1.81 0.00 0.00 61.98 58.20 1u1d s VAL 6 Cb 0.17 -2.48 -0.11 0.00 0.56 0.00 0.00 36.38 34.52 1u1d s VAL 6 CO 0.71 -0.28 1.44 -0.26 -0.31 0.00 0.00 175.10 176.41 1u1d h PHE 7 N 2.26 0.41 0.00 2.82 0.05 -1.95 -3.41 116.94 117.12 1u1d h PHE 7 Ca -0.40 -0.19 0.00 0.00 3.82 0.00 0.00 57.97 61.20 1u1d h PHE 7 Cb 1.23 -0.06 0.00 0.00 2.00 0.00 0.00 35.95 39.13 1u1d h PHE 7 CO 0.68 0.95 -0.96 0.72 -0.18 0.00 0.00 178.31 179.52 1u1d n HIS 8 N -3.78 0.00 0.25 -0.55 8.25 -1.26 -4.82 115.22 113.31 1u1d n HIS 8 Ca -0.04 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.55 1u1d n HIS 8 Cb 0.72 0.01 0.64 0.00 1.12 0.00 0.00 29.99 32.48 1u1d n HIS 8 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1u1d h LEU 9 N 0.00 0.00 -1.35 2.41 3.38 -1.92 -3.44 115.31 114.39 1u1d h LEU 9 Ca 0.00 0.00 -0.26 0.00 0.09 0.00 0.00 57.88 57.71 1u1d h LEU 9 Cb 0.96 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.82 1u1d h LEU 9 CO 0.00 0.13 -0.53 0.61 0.09 0.00 0.00 178.44 178.75 1u1d n GLY 10 N -0.22 -0.14 3.14 0.83 0.00 -1.26 -4.71 105.19 102.83 1u1d n GLY 10 Ca -0.01 -0.03 -0.18 0.00 0.00 0.00 0.00 46.02 45.80 1u1d n GLY 10 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 11 N -5.35 2.23 0.30 0.99 1.43 -1.26 -4.78 118.68 112.25 1u1d s LEU 11 Ca 0.20 -0.54 0.07 0.00 -1.03 0.00 0.00 54.13 52.83 1u1d s LEU 11 Cb -0.09 -0.47 -0.03 0.00 0.03 0.00 0.00 46.19 45.63 1u1d s LEU 11 CO 0.53 -0.06 0.29 0.42 0.23 0.00 0.00 176.35 177.75 1u1d s THR 12 N -1.12 4.00 0.43 5.49 -4.23 -1.26 -0.58 115.64 118.37 1u1d s THR 12 Ca -0.02 -1.31 0.10 0.00 -1.18 0.00 0.00 61.69 59.28 1u1d s THR 12 Cb -0.09 -3.33 0.28 0.00 1.34 0.00 0.00 72.50 70.71 1u1d s THR 12 CO 0.02 -0.24 2.05 0.11 -0.54 0.00 0.00 174.62 176.02 1u1d h LYS 13 N 1.28 0.44 -0.13 3.99 1.57 -1.97 -2.27 116.57 119.48 1u1d h LYS 13 Ca -0.47 -0.03 -0.08 0.00 -1.87 0.00 0.00 60.65 58.21 1u1d h LYS 13 Cb 1.25 -0.10 -0.01 0.00 0.08 0.00 0.00 32.23 33.45 1u1d h LYS 13 CO 0.59 0.29 -0.27 -0.97 -0.57 0.00 0.00 179.45 178.51 1u1d h ASN 14 N 0.45 0.24 -0.42 0.86 -0.73 -1.95 -2.76 115.58 111.27 1u1d h ASN 14 Ca 0.17 -0.07 0.10 0.00 1.87 0.00 0.00 56.30 58.36 1u1d h ASN 14 Cb 0.11 -0.06 -0.02 0.00 0.27 0.00 0.00 38.32 38.62 1u1d h ASN 14 CO -0.04 0.52 0.29 0.44 -0.37 0.00 0.00 177.43 178.27 1u1d h ASP 15 N 0.22 0.10 1.42 1.15 3.45 -1.81 -2.20 116.42 118.75 1u1d h ASP 15 Ca 0.03 0.00 -0.08 0.00 0.43 0.00 0.00 57.03 57.42 1u1d h ASP 15 Cb 0.60 -0.02 -0.01 0.00 -0.56 0.00 0.00 39.33 39.34 1u1d h ASP 15 CO 0.04 0.06 -0.38 -0.07 -1.57 0.00 0.00 179.24 177.33 1u1d h LEU 16 N 0.12 0.00 0.72 1.55 4.07 -1.57 -3.48 115.31 116.71 1u1d h LEU 16 Ca 0.20 0.00 -0.39 0.00 0.08 0.00 0.00 57.88 57.76 1u1d h LEU 16 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 1u1d h LEU 16 CO -0.02 0.38 -0.59 0.00 -1.08 0.00 0.00 178.44 177.13 1u1d n GLN 17 N -3.25 -4.38 -0.47 1.13 6.02 -0.83 -2.16 117.38 113.43 1u1d n GLN 17 Ca 0.02 0.72 0.00 0.00 -0.01 0.00 0.00 57.00 57.73 1u1d n GLN 17 Cb 0.64 -5.52 0.00 0.00 1.02 0.00 0.00 30.24 26.38 1u1d n GLN 17 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 18 N -1.39 0.76 3.75 1.08 0.00 -1.26 -4.83 105.19 103.29 1u1d n GLY 18 Ca -0.07 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.54 1u1d n GLY 18 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 19 N -2.09 3.52 -0.23 4.61 0.00 -0.92 -4.93 121.76 121.73 1u1d s ALA 19 Ca 0.00 1.17 0.04 0.00 0.00 0.00 0.00 51.96 53.16 1u1d s ALA 19 Cb 0.00 -3.48 -0.02 0.00 0.00 0.00 0.00 23.12 19.62 1u1d s ALA 19 CO 0.00 -0.57 0.24 0.25 0.00 0.00 0.00 175.76 175.68 1u1d n THR 20 N 1.98 0.00 -4.93 0.00 -2.24 -1.26 -4.32 114.28 103.51 1u1d n THR 20 Ca 0.04 -0.43 -0.33 0.00 -2.27 0.00 0.00 64.05 61.06 1u1d n THR 20 Cb 0.42 1.02 -0.14 0.00 -2.10 0.00 0.00 70.33 69.53 1u1d n THR 20 CO 0.00 0.00 0.00 -0.22 -0.57 0.00 0.00 175.07 174.28 1u1d s LEU 21 N -1.80 2.63 -0.05 3.22 0.20 -1.26 0.29 118.68 121.91 1u1d s LEU 21 Ca 0.02 -0.27 0.02 0.00 0.69 0.00 0.00 54.13 54.60 1u1d s LEU 21 Cb 0.03 -1.53 0.01 0.00 -0.43 0.00 0.00 46.19 44.26 1u1d s LEU 21 CO 0.12 0.30 -0.10 0.00 -0.29 0.00 0.00 176.35 176.39 1u1d s ALA 22 N -0.48 1.03 -0.18 5.97 0.00 -0.13 -2.11 121.76 125.86 1u1d s ALA 22 Ca 0.06 -0.33 -0.20 0.00 0.00 0.00 0.00 51.96 51.49 1u1d s ALA 22 Cb -0.12 -0.45 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1u1d s ALA 22 CO 0.02 0.11 0.60 0.42 0.00 0.00 0.00 175.76 176.90 1u1d s ILE 23 N 0.52 5.06 -0.56 0.00 1.01 0.81 -1.06 121.20 126.97 1u1d s ILE 23 Ca -0.10 1.13 0.04 0.00 0.00 0.00 0.00 60.65 61.73 1u1d s ILE 23 Cb -0.13 -3.92 0.14 0.00 0.01 0.00 0.00 42.46 38.56 1u1d s ILE 23 CO 0.02 0.16 0.32 0.68 0.00 0.00 0.00 174.94 176.11 1u1d s VAL 24 N 1.64 2.67 0.69 2.92 -7.23 0.68 -1.62 120.40 120.16 1u1d s VAL 24 Ca 0.28 -3.55 -0.11 0.00 -1.81 0.00 0.00 61.98 56.79 1u1d s VAL 24 Cb -0.16 -2.83 0.01 0.00 0.56 0.00 0.00 36.38 33.96 1u1d s VAL 24 CO 0.11 -0.85 1.06 -2.16 -0.31 0.00 0.00 175.10 172.95 1u1d s PRO 25 N -0.57 2.97 0.11 4.82 0.04 -1.24 -3.62 135.00 137.51 1u1d s PRO 25 Ca 0.19 0.86 -0.09 0.00 0.04 0.00 0.00 61.00 62.00 1u1d s PRO 25 Cb -0.21 -2.00 -0.14 0.00 0.04 0.00 0.00 34.50 32.19 1u1d s PRO 25 CO -0.04 -1.05 1.28 0.78 0.04 0.00 0.00 177.00 178.00 1u1d h GLY 26 N -0.68 0.64 -6.74 0.56 0.00 -1.83 -1.08 103.07 93.94 1u1d h GLY 26 Ca -0.44 -1.07 -0.62 0.00 0.00 0.00 0.00 47.33 45.20 1u1d h GLY 26 CO 0.58 0.95 0.05 -0.35 0.00 0.00 0.00 176.54 177.76 1u1d s ASP 27 N -7.15 6.47 0.55 0.19 -1.08 -1.26 -1.58 116.67 112.81 1u1d s ASP 27 Ca -0.08 0.51 0.25 0.00 -0.52 0.00 0.00 52.55 52.71 1u1d s ASP 27 Cb 0.08 -2.30 1.48 0.00 -1.46 0.00 0.00 42.92 40.73 1u1d s ASP 27 CO 0.89 -0.35 2.08 1.55 0.52 0.00 0.00 175.17 179.86 1u1d h PRO 28 N 8.05 0.00 0.00 4.34 0.13 -1.87 -1.56 132.00 141.09 1u1d h PRO 28 Ca -0.28 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.85 1u1d h PRO 28 Cb 1.13 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.26 1u1d h PRO 28 CO 0.74 0.00 0.00 -0.44 -0.23 0.00 0.00 178.00 178.07 1u1d h ASP 29 N 0.00 0.00 1.21 1.44 3.32 -1.96 -3.01 116.42 117.43 1u1d h ASP 29 Ca 0.12 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.17 1u1d h ASP 29 Cb 0.56 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.11 1u1d h ASP 29 CO -0.00 0.00 -0.57 -0.09 -1.72 0.00 0.00 179.24 176.86 1u1d h ARG 30 N 0.00 0.00 -0.27 3.56 2.43 -1.70 -3.39 114.38 115.02 1u1d h ARG 30 Ca 0.00 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1u1d h ARG 30 Cb 0.54 0.00 -0.03 0.00 -0.42 0.00 0.00 29.97 30.06 1u1d h ARG 30 CO 0.00 0.00 0.10 0.28 -1.51 0.00 0.00 179.97 178.84 1u1d h VAL 31 N 0.00 0.95 -0.78 0.20 2.07 -1.56 -1.90 116.25 115.23 1u1d h VAL 31 Ca 0.00 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.41 1u1d h VAL 31 Cb 0.89 0.70 -0.04 0.00 -1.52 0.00 0.00 31.29 31.32 1u1d h VAL 31 CO 0.00 0.04 0.37 -0.08 0.02 0.00 0.00 177.57 177.92 1u1d h GLU 32 N 0.23 1.13 -0.72 1.57 4.81 -1.78 -1.66 114.58 118.16 1u1d h GLU 32 Ca 0.11 -0.17 0.03 0.00 -0.13 0.00 0.00 59.36 59.21 1u1d h GLU 32 Cb 0.07 -0.20 -0.04 0.00 0.63 0.00 0.00 28.75 29.20 1u1d h GLU 32 CO -0.11 0.88 0.45 0.87 -0.73 0.00 0.00 179.01 180.37 1u1d h LYS 33 N 1.10 0.86 -0.16 1.92 1.57 -1.64 0.13 116.57 120.35 1u1d h LYS 33 Ca 0.27 -0.05 -0.07 0.00 -1.87 0.00 0.00 60.65 58.93 1u1d h LYS 33 Cb 0.13 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.24 1u1d h LYS 33 CO -0.03 0.57 -0.17 0.82 -0.57 0.00 0.00 179.45 180.06 1u1d h ILE 34 N 0.88 1.34 -0.52 1.86 2.04 -1.22 -3.21 117.51 118.69 1u1d h ILE 34 Ca 0.29 -1.34 -0.02 0.00 1.00 0.00 0.00 64.86 64.79 1u1d h ILE 34 Cb 0.01 1.86 -0.03 0.00 -0.74 0.00 0.00 36.82 37.93 1u1d h ILE 34 CO -0.11 0.40 0.26 0.00 0.00 0.00 0.00 178.15 178.70 1u1d h ALA 35 N 0.61 1.48 0.00 1.87 0.00 -1.04 -2.51 119.26 119.68 1u1d h ALA 35 Ca 0.02 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1u1d h ALA 35 Cb 0.71 -0.21 -0.00 0.00 0.00 0.00 0.00 17.79 18.29 1u1d h ALA 35 CO 0.04 0.42 -0.03 0.00 0.00 0.00 0.00 179.25 179.69 1u1d h ALA 36 N 1.56 1.04 0.00 0.00 0.00 -0.76 -1.85 119.26 119.26 1u1d h ALA 36 Ca 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1u1d h ALA 36 Cb 0.06 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1u1d h ALA 36 CO -0.03 0.03 0.00 1.25 0.00 0.00 0.00 179.25 180.51 1u1d h LEU 37 N 0.00 0.00-10.48 0.00 5.85 -1.48 -3.45 115.31 105.75 1u1d h LEU 37 Ca -0.00 0.00 -0.46 0.00 0.84 0.00 0.00 57.88 58.26 1u1d h LEU 37 Cb 0.33 0.00 0.01 0.00 0.37 0.00 0.00 40.66 41.37 1u1d h LEU 37 CO 0.00 0.00 -0.22 -0.04 -0.34 0.00 0.00 178.44 177.84 1u1d s MET 38 N -3.30 2.59 0.35 1.25 -1.94 -0.69 -5.10 119.30 112.45 1u1d s MET 38 Ca 0.06 -1.45 -0.25 0.00 -1.71 0.00 0.00 55.69 52.34 1u1d s MET 38 Cb 0.07 -2.65 -0.10 0.00 2.01 0.00 0.00 34.83 34.17 1u1d s MET 38 CO 0.61 -0.48 0.97 -0.51 -0.01 0.00 0.00 175.02 175.60 1u1d s ASP 39 N -4.43 7.17 -1.12 3.03 1.01 0.75 -4.45 116.67 118.62 1u1d s ASP 39 Ca 0.56 1.86 -0.25 0.00 0.71 0.00 0.00 52.55 55.43 1u1d s ASP 39 Cb -0.07 -2.58 0.02 0.00 1.01 0.00 0.00 42.92 41.30 1u1d s ASP 39 CO 0.34 -0.19 0.71 0.29 0.21 0.00 0.00 175.17 176.53 1u1d n LYS 40 N 0.28 -0.74 -2.61 8.23 5.02 -1.26 0.79 118.16 127.87 1u1d n LYS 40 Ca 0.03 0.33 -0.39 0.00 -2.02 0.00 0.00 58.31 56.26 1u1d n LYS 40 Cb 0.50 -3.07 -0.05 0.00 -0.02 0.00 0.00 35.03 32.40 1u1d n LYS 40 CO 0.00 0.00 0.00 -1.25 -0.52 0.00 0.00 177.40 175.63 1u1d s PRO 41 N -6.52 4.62 -0.02 1.97 0.04 -1.26 -4.27 135.00 129.56 1u1d s PRO 41 Ca 0.41 1.60 -0.02 0.00 0.04 0.00 0.00 61.00 63.04 1u1d s PRO 41 Cb -0.20 -3.07 0.01 0.00 0.04 0.00 0.00 34.50 31.29 1u1d s PRO 41 CO 0.92 0.26 0.06 0.14 0.04 0.00 0.00 177.00 178.42 1u1d s VAL 42 N -1.30 -0.02 -0.11 -0.36 -7.23 0.21 -5.00 120.40 106.59 1u1d s VAL 42 Ca 0.46 0.06 -0.30 0.00 -1.81 0.00 0.00 61.98 60.40 1u1d s VAL 42 Cb -0.27 -0.10 -0.03 0.00 0.56 0.00 0.00 36.38 36.55 1u1d s VAL 42 CO 0.34 0.03 1.28 -0.75 -0.31 0.00 0.00 175.10 175.68 1u1d s LYS 43 N 0.35 4.27 -0.24 4.82 2.20 -1.26 -1.22 119.74 128.67 1u1d s LYS 43 Ca -0.03 1.72 -0.19 0.00 -0.36 0.00 0.00 55.97 57.12 1u1d s LYS 43 Cb -0.04 -3.69 -0.16 0.00 -1.51 0.00 0.00 37.83 32.42 1u1d s LYS 43 CO -0.01 -0.62 0.00 1.28 -0.36 0.00 0.00 175.35 175.64 1u1d n LEU 44 N 6.06 1.90 -3.56 5.43 4.77 -0.33 -4.96 117.00 126.31 1u1d n LEU 44 Ca 0.13 0.39 -0.15 0.00 -0.03 0.00 0.00 56.01 56.35 1u1d n LEU 44 Cb 0.45 -0.91 -0.06 0.00 -2.33 0.00 0.00 43.42 40.57 1u1d n LEU 44 CO 0.56 0.39 0.31 0.00 -1.33 0.00 0.00 177.39 177.33 1u1d s ALA 45 N -2.42 -1.43 -0.20 -1.18 0.00 -1.08 -5.02 121.76 110.43 1u1d s ALA 45 Ca -0.33 0.78 -0.04 0.00 0.00 0.00 0.00 51.96 52.37 1u1d s ALA 45 Cb 0.09 0.28 0.09 0.00 0.00 0.00 0.00 23.12 23.58 1u1d s ALA 45 CO 0.55 -0.46 0.20 0.45 0.00 0.00 0.00 175.76 176.50 1u1d s SER 46 N -1.75 1.51 -0.03 0.00 0.15 -1.26 -0.31 113.70 112.01 1u1d s SER 46 Ca -0.07 -0.27 -0.00 0.00 0.70 0.00 0.00 55.95 56.30 1u1d s SER 46 Cb -0.01 0.30 0.03 0.00 -1.71 0.00 0.00 66.02 64.63 1u1d s SER 46 CO 0.01 -0.33 0.03 -1.00 1.20 0.00 0.00 173.24 173.16 1u1d s HIS 47 N 2.30 0.08 0.00 3.44 3.76 -0.46 -5.00 115.29 119.40 1u1d s HIS 47 Ca 0.06 0.14 0.00 0.00 -0.15 0.00 0.00 55.06 55.11 1u1d s HIS 47 Cb -0.16 -0.32 0.00 0.00 1.11 0.00 0.00 32.58 33.21 1u1d s HIS 47 CO -0.12 -0.12 0.00 0.54 -0.85 0.00 0.00 174.74 174.19 1u1d n ARG 48 N 4.46 0.00 -0.06 1.40 1.74 -1.26 -1.01 116.66 121.93 1u1d n ARG 48 Ca -0.22 0.00 0.11 0.00 -0.77 0.00 0.00 57.85 56.97 1u1d n ARG 48 Cb 0.50 0.00 0.43 0.00 -1.02 0.00 0.00 32.46 32.37 1u1d n ARG 48 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 1u1d n GLU 49 N 14.00 1.59 -3.28 5.56 0.00 -1.26 -4.77 120.64 132.48 1u1d n GLU 49 Ca 0.00 -0.88 -0.46 0.00 0.00 0.00 0.00 57.16 55.82 1u1d n GLU 49 Cb 0.00 -1.39 -0.05 0.00 0.00 0.00 0.00 31.44 30.00 1u1d n GLU 49 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.13 177.07 1u1d s PHE 50 N -1.85 3.21 -0.19 -1.84 0.40 -0.18 -4.13 117.98 113.40 1u1d s PHE 50 Ca 0.32 -1.21 -0.05 0.00 -0.60 0.00 0.00 56.93 55.39 1u1d s PHE 50 Cb 0.17 -3.79 -0.03 0.00 0.51 0.00 0.00 43.02 39.89 1u1d s PHE 50 CO 0.26 -1.05 0.00 0.99 0.70 0.00 0.00 175.22 176.13 1u1d s THR 51 N 1.78 4.02 -0.09 0.64 2.01 -1.26 -1.36 115.64 121.38 1u1d s THR 51 Ca 0.04 -0.29 0.04 0.00 0.31 0.00 0.00 61.69 61.79 1u1d s THR 51 Cb -0.29 -2.81 -0.00 0.00 0.01 0.00 0.00 72.50 69.41 1u1d s THR 51 CO 0.04 0.44 -0.24 -0.89 -0.69 0.00 0.00 174.62 173.28 1u1d s THR 52 N 0.86 2.03 0.10 -0.82 2.01 0.57 -1.72 115.64 118.67 1u1d s THR 52 Ca 0.01 -1.01 0.08 0.00 0.31 0.00 0.00 61.69 61.08 1u1d s THR 52 Cb -0.14 -1.75 -0.04 0.00 0.01 0.00 0.00 72.50 70.58 1u1d s THR 52 CO 0.02 0.55 -0.22 0.26 -0.69 0.00 0.00 174.62 174.55 1u1d s TRP 53 N 0.29 1.85 -0.02 4.92 0.52 0.80 -1.18 118.94 126.11 1u1d s TRP 53 Ca -0.17 -0.41 0.06 0.00 0.02 0.00 0.00 56.10 55.60 1u1d s TRP 53 Cb -0.17 -1.02 -0.02 0.00 -1.15 0.00 0.00 33.47 31.11 1u1d s TRP 53 CO 0.08 0.22 -0.21 0.50 0.02 0.00 0.00 176.95 177.56 1u1d s ARG 54 N -1.89 2.25 0.24 4.98 3.52 -0.36 -0.37 118.95 127.32 1u1d s ARG 54 Ca 0.07 -0.85 -0.03 0.00 -0.13 0.00 0.00 55.73 54.80 1u1d s ARG 54 Cb -0.10 -2.19 -0.03 0.00 -1.56 0.00 0.00 34.95 31.08 1u1d s ARG 54 CO 0.04 0.58 0.27 0.00 -0.81 0.00 0.00 175.30 175.38 1u1d s ALA 55 N -0.69 0.88 -0.17 6.12 0.00 -0.34 -0.62 121.76 126.94 1u1d s ALA 55 Ca 0.11 -1.53 -0.03 0.00 0.00 0.00 0.00 51.96 50.51 1u1d s ALA 55 Cb -0.10 1.30 -0.02 0.00 0.00 0.00 0.00 23.12 24.30 1u1d s ALA 55 CO 0.00 -0.68 -0.06 -2.00 0.00 0.00 0.00 175.76 173.02 1u1d s GLU 56 N -3.92 3.53 -0.19 0.00 2.12 0.24 -0.28 118.70 120.20 1u1d s GLU 56 Ca 0.34 -0.58 0.01 0.00 0.36 0.00 0.00 54.97 55.10 1u1d s GLU 56 Cb 0.04 -2.88 0.04 0.00 0.26 0.00 0.00 34.13 31.58 1u1d s GLU 56 CO 0.14 0.11 -0.12 -1.17 -0.54 0.00 0.00 175.26 173.69 1u1d s LEU 57 N 0.68 2.15 -1.39 2.70 2.96 0.48 -0.18 118.68 126.08 1u1d s LEU 57 Ca -0.03 -0.79 -0.10 0.00 -0.22 0.00 0.00 54.13 52.98 1u1d s LEU 57 Cb -0.15 -1.23 0.08 0.00 0.50 0.00 0.00 46.19 45.38 1u1d s LEU 57 CO 0.02 -0.12 0.61 0.47 -1.32 0.00 0.00 176.35 176.01 1u1d n ASP 58 N 4.70 -4.11 0.00 3.68 10.43 -1.26 -0.61 116.55 129.38 1u1d n ASP 58 Ca -0.15 -0.49 0.00 0.00 2.57 0.00 0.00 54.79 56.71 1u1d n ASP 58 Cb 0.47 -3.36 0.00 0.00 1.84 0.00 0.00 41.12 40.07 1u1d n ASP 58 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1u1d n GLY 59 N -1.31 0.61 3.26 0.44 0.00 -1.26 -5.03 105.19 101.90 1u1d n GLY 59 Ca -0.01 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.69 1u1d n GLY 59 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1u1d s LYS 60 N -0.05 3.06 0.25 1.61 -0.14 0.22 -5.10 119.74 119.59 1u1d s LYS 60 Ca 0.00 -0.84 -0.30 0.00 -1.36 0.00 0.00 55.97 53.47 1u1d s LYS 60 Cb 0.00 -2.36 -0.10 0.00 -1.68 0.00 0.00 37.83 33.70 1u1d s LYS 60 CO 0.00 0.21 1.43 -1.25 -0.76 0.00 0.00 175.35 174.99 1u1d s PRO 61 N 0.27 4.27 -0.01 -1.68 0.04 -1.26 -0.39 135.00 136.24 1u1d s PRO 61 Ca -0.15 2.29 0.03 0.00 0.04 0.00 0.00 61.00 63.21 1u1d s PRO 61 Cb -0.17 -3.11 -0.00 0.00 0.04 0.00 0.00 34.50 31.25 1u1d s PRO 61 CO 0.08 -0.41 -0.10 0.08 0.04 0.00 0.00 177.00 176.69 1u1d s VAL 62 N 0.01 0.78 -0.13 -0.36 1.01 0.62 -4.52 120.40 117.81 1u1d s VAL 62 Ca 0.59 -0.40 -0.10 0.00 0.00 0.00 0.00 61.98 62.08 1u1d s VAL 62 Cb -0.42 -0.67 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1u1d s VAL 62 CO 0.43 0.23 0.20 -0.63 0.00 0.00 0.00 175.10 175.33 1u1d s ILE 63 N -0.07 5.39 -0.17 2.22 -1.09 -0.90 -1.19 121.20 125.39 1u1d s ILE 63 Ca 0.01 0.35 -0.00 0.00 -2.23 0.00 0.00 60.65 58.78 1u1d s ILE 63 Cb -0.06 -3.50 0.00 0.00 -1.58 0.00 0.00 42.46 37.33 1u1d s ILE 63 CO -0.00 0.53 -0.15 -0.69 -1.23 0.00 0.00 174.94 173.40 1u1d s VAL 64 N -0.43 2.57 -0.06 2.92 1.01 0.50 -0.13 120.40 126.78 1u1d s VAL 64 Ca 0.15 -0.79 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1u1d s VAL 64 Cb -0.13 -2.09 0.04 0.00 0.00 0.00 0.00 36.38 34.20 1u1d s VAL 64 CO 0.04 0.51 0.11 0.00 0.00 0.00 0.00 175.10 175.76 1u1d s SER 66 N 1.44 7.28 0.00 0.00 1.04 -0.70 -3.61 113.70 119.16 1u1d s SER 66 Ca -0.06 1.97 0.20 0.00 0.48 0.00 0.00 55.95 58.55 1u1d s SER 66 Cb -0.12 -2.59 -0.22 0.00 0.10 0.00 0.00 66.02 63.19 1u1d s SER 66 CO -0.05 -0.11 0.58 0.35 0.98 0.00 0.00 173.24 174.99 1u1d n THR 67 N 0.73 0.59 -0.10 2.02 -2.24 -0.41 -4.36 114.28 110.52 1u1d n THR 67 Ca 0.01 -0.61 0.01 0.00 -2.27 0.00 0.00 64.05 61.20 1u1d n THR 67 Cb 0.48 -0.29 -0.00 0.00 -2.10 0.00 0.00 70.33 68.42 1u1d n THR 67 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1u1d n GLY 68 N 1.35 -1.69 3.71 3.38 0.00 -0.61 -3.27 105.19 108.06 1u1d n GLY 68 Ca -0.09 -1.49 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 1u1d n GLY 68 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 69 N -1.64 4.49 0.00 -0.61 1.01 -1.26 -4.67 121.20 118.52 1u1d s ILE 69 Ca 0.00 1.79 0.00 0.00 0.00 0.00 0.00 60.65 62.44 1u1d s ILE 69 Cb 0.00 -4.15 0.00 0.00 0.01 0.00 0.00 42.46 38.32 1u1d s ILE 69 CO 0.00 0.13 0.00 0.61 0.00 0.00 0.00 174.94 175.68 1u1d n GLY 70 N 3.05 2.26 0.17 6.18 0.00 -1.25 -4.69 105.19 110.92 1u1d n GLY 70 Ca 0.07 -1.88 -0.06 0.00 0.00 0.00 0.00 46.02 44.16 1u1d n GLY 70 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1u1d h GLY 71 N 0.00 0.52 0.04 -0.02 0.00 -1.87 -2.74 103.07 99.00 1u1d h GLY 71 Ca 0.00 -0.10 0.08 0.00 0.00 0.00 0.00 47.33 47.31 1u1d h GLY 71 CO 0.00 0.05 -0.23 -2.55 0.00 0.00 0.00 176.54 173.81 1u1d h PRO 72 N 0.33 -0.17 0.00 4.80 0.11 -1.95 0.44 132.00 135.56 1u1d h PRO 72 Ca 0.18 0.01 -0.16 0.00 0.11 0.00 0.00 66.00 66.13 1u1d h PRO 72 Cb 0.14 0.04 -0.02 0.00 0.11 0.00 0.00 31.00 31.26 1u1d h PRO 72 CO -0.16 -0.12 -0.79 0.66 -0.21 0.00 0.00 178.00 177.38 1u1d h SER 73 N -0.18 0.00 -0.26 -2.05 4.64 -1.80 -2.85 113.55 111.06 1u1d h SER 73 Ca 0.17 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.51 1u1d h SER 73 Cb 0.45 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.52 1u1d h SER 73 CO -0.45 0.79 0.13 0.74 -0.87 0.00 0.00 176.83 177.17 1u1d h THR 74 N 0.00 1.01 -0.63 2.95 2.02 -1.13 -1.29 112.91 115.83 1u1d h THR 74 Ca -0.01 -0.10 0.03 0.00 0.77 0.00 0.00 66.41 67.11 1u1d h THR 74 Cb 1.40 0.70 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 1u1d h THR 74 CO 0.10 0.05 0.42 0.77 0.37 0.00 0.00 175.52 177.23 1u1d h SER 75 N 0.28 0.65 0.08 4.18 4.64 -0.01 -0.24 113.55 123.15 1u1d h SER 75 Ca 0.10 -0.01 -0.00 0.00 -0.47 0.00 0.00 61.79 61.41 1u1d h SER 75 Cb 0.02 -0.15 0.00 0.00 -0.31 0.00 0.00 62.40 61.95 1u1d h SER 75 CO -0.06 0.45 -0.04 0.40 -0.87 0.00 0.00 176.83 176.71 1u1d h ILE 76 N 0.76 1.15 0.02 0.95 2.04 -1.27 -2.73 117.51 118.43 1u1d h ILE 76 Ca 0.25 -0.88 0.00 0.00 1.00 0.00 0.00 64.86 65.23 1u1d h ILE 76 Cb 0.06 1.71 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 1u1d h ILE 76 CO -0.07 0.22 -0.02 0.00 0.00 0.00 0.00 178.15 178.28 1u1d h ALA 77 N 0.35 -0.04 -0.23 1.87 0.00 -0.75 -1.78 119.26 118.68 1u1d h ALA 77 Ca -0.01 -0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.89 1u1d h ALA 77 Cb 0.44 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.25 1u1d h ALA 77 CO 0.02 -0.53 0.13 0.28 0.00 0.00 0.00 179.25 179.15 1u1d h VAL 78 N -0.05 1.10 -0.37 0.00 2.07 -1.17 -1.11 116.25 116.71 1u1d h VAL 78 Ca 0.00 -0.25 0.02 0.00 0.82 0.00 0.00 66.70 67.30 1u1d h VAL 78 Cb 0.05 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.64 1u1d h VAL 78 CO -0.01 0.09 0.20 -0.08 0.02 0.00 0.00 177.57 177.79 1u1d h GLU 79 N 0.27 0.39 -0.11 1.57 4.57 -1.42 -0.17 114.58 119.68 1u1d h GLU 79 Ca 0.08 -0.02 -0.17 0.00 -1.18 0.00 0.00 59.36 58.07 1u1d h GLU 79 Cb 0.04 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 28.53 1u1d h GLU 79 CO -0.01 0.26 -0.64 0.93 -1.18 0.00 0.00 179.01 178.36 1u1d h GLU 80 N 0.40 0.43 -0.75 1.92 5.08 -1.22 -1.07 114.58 119.38 1u1d h GLU 80 Ca 0.15 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.16 1u1d h GLU 80 Cb 0.04 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.31 1u1d h GLU 80 CO -0.09 0.93 0.29 -0.07 -1.00 0.00 0.00 179.01 179.07 1u1d h LEU 81 N 0.31 1.03 -0.81 1.33 3.38 -1.06 -1.86 115.31 117.62 1u1d h LEU 81 Ca -0.01 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.74 1u1d h LEU 81 Cb 1.19 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 41.65 1u1d h LEU 81 CO 0.11 0.92 0.17 0.00 0.09 0.00 0.00 178.44 179.73 1u1d h ALA 82 N 1.23 1.03 -0.38 1.53 0.00 -0.68 -0.17 119.26 121.81 1u1d h ALA 82 Ca 0.25 -0.23 -0.03 0.00 0.00 0.00 0.00 54.91 54.90 1u1d h ALA 82 Cb 0.22 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1u1d h ALA 82 CO -0.02 0.64 0.13 1.96 0.00 0.00 0.00 179.25 181.96 1u1d h GLN 83 N 1.01 0.55 -0.00 0.00 4.20 -0.96 -2.41 115.11 117.50 1u1d h GLN 83 Ca 0.22 -0.08 0.00 0.00 0.06 0.00 0.00 58.65 58.85 1u1d h GLN 83 Cb 0.34 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 28.02 1u1d h GLN 83 CO -0.00 0.48 -0.12 1.28 -0.67 0.00 0.00 178.83 179.79 1u1d n LEU 84 N -4.36 0.17 0.00 1.46 4.77 -0.72 -4.92 117.00 113.40 1u1d n LEU 84 Ca 0.02 0.30 0.00 0.00 -0.03 0.00 0.00 56.01 56.31 1u1d n LEU 84 Cb 0.16 -0.38 0.00 0.00 -2.33 0.00 0.00 43.42 40.87 1u1d n LEU 84 CO 0.37 0.04 0.00 0.61 -1.33 0.00 0.00 177.39 177.08 1u1d n GLY 85 N 1.45 1.08 3.72 -0.72 0.00 -0.57 -4.79 105.19 105.36 1u1d n GLY 85 Ca 0.08 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 1u1d n GLY 85 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1u1d s ILE 86 N -1.97 3.57 -0.00 -0.61 -1.09 -0.18 -4.53 121.20 116.39 1u1d s ILE 86 Ca 0.00 1.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.58 1u1d s ILE 86 Cb 0.00 -3.74 -0.01 0.00 -1.58 0.00 0.00 42.46 37.13 1u1d s ILE 86 CO 0.00 0.11 0.01 0.54 -1.23 0.00 0.00 174.94 174.37 1u1d n ARG 87 N 3.67 0.40 -4.87 2.79 5.12 0.15 -4.13 116.66 119.79 1u1d n ARG 87 Ca 0.09 -0.00 -0.32 0.00 -1.93 0.00 0.00 57.85 55.69 1u1d n ARG 87 Cb 0.44 -1.01 -0.16 0.00 -1.16 0.00 0.00 32.46 30.57 1u1d n ARG 87 CO 0.00 0.00 0.00 0.99 -1.93 0.00 0.00 177.63 176.69 1u1d s THR 88 N -2.03 2.20 -0.13 0.55 2.01 -0.53 -1.51 115.64 116.21 1u1d s THR 88 Ca -0.00 -0.95 0.03 0.00 0.31 0.00 0.00 61.69 61.08 1u1d s THR 88 Cb 0.00 -1.87 0.01 0.00 0.01 0.00 0.00 72.50 70.65 1u1d s THR 88 CO 0.02 0.55 -0.20 -0.36 -0.69 0.00 0.00 174.62 173.93 1u1d s PHE 89 N 0.60 2.46 -0.24 4.92 0.40 0.57 -0.95 117.98 125.74 1u1d s PHE 89 Ca -0.12 -1.19 0.02 0.00 -0.60 0.00 0.00 56.93 55.04 1u1d s PHE 89 Cb -0.16 -1.69 0.04 0.00 0.51 0.00 0.00 43.02 41.72 1u1d s PHE 89 CO 0.03 -0.55 -0.12 -0.51 0.70 0.00 0.00 175.22 174.77 1u1d s LEU 90 N 0.78 3.09 -0.11 -0.37 1.43 -0.23 -1.04 118.68 122.24 1u1d s LEU 90 Ca -0.09 -1.12 -0.21 0.00 -1.03 0.00 0.00 54.13 51.68 1u1d s LEU 90 Cb -0.16 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.47 1u1d s LEU 90 CO -0.00 -0.14 0.58 -0.60 0.23 0.00 0.00 176.35 176.43 1u1d s ARG 91 N 1.19 4.36 -0.17 1.70 3.52 0.03 -0.23 118.95 129.34 1u1d s ARG 91 Ca -0.04 0.63 -0.00 0.00 -0.13 0.00 0.00 55.73 56.19 1u1d s ARG 91 Cb -0.18 -3.46 0.00 0.00 -1.56 0.00 0.00 34.95 29.75 1u1d s ARG 91 CO -0.07 0.06 -0.14 -1.50 -0.81 0.00 0.00 175.30 172.84 1u1d s ILE 92 N 0.89 2.69 0.28 4.11 -1.16 -1.24 -1.04 121.20 125.73 1u1d s ILE 92 Ca 0.31 -0.75 0.04 0.00 -0.51 0.00 0.00 60.65 59.75 1u1d s ILE 92 Cb -0.16 -2.16 -0.02 0.00 0.61 0.00 0.00 42.46 40.73 1u1d s ILE 92 CO 0.13 0.50 0.16 0.61 -2.81 0.00 0.00 174.94 173.54 1u1d n GLY 93 N 4.32 3.32 3.80 1.50 0.00 -0.25 -3.95 105.19 113.93 1u1d n GLY 93 Ca -0.19 -1.94 -0.23 0.00 0.00 0.00 0.00 46.02 43.65 1u1d n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1u1d s THR 94 N -2.86 4.37 0.05 2.61 -4.23 -1.26 -1.92 115.64 112.39 1u1d s THR 94 Ca 0.23 -1.37 -0.20 0.00 -1.18 0.00 0.00 61.69 59.17 1u1d s THR 94 Cb 0.01 -3.33 0.04 0.00 1.34 0.00 0.00 72.50 70.57 1u1d s THR 94 CO 0.16 -0.29 0.46 0.28 -0.54 0.00 0.00 174.62 174.69 1u1d s THR 95 N -2.05 0.04 -0.27 3.99 -1.32 -0.93 -4.80 115.64 110.30 1u1d s THR 95 Ca 0.32 -0.36 -0.06 0.00 -1.21 0.00 0.00 61.69 60.38 1u1d s THR 95 Cb -0.08 -0.97 -0.00 0.00 -1.51 0.00 0.00 72.50 69.94 1u1d s THR 95 CO 0.24 -0.20 0.05 -0.83 -2.21 0.00 0.00 174.62 171.68 1u1d s GLY 96 N -2.01 1.75 0.39 6.08 0.00 -1.07 -2.43 107.32 110.01 1u1d s GLY 96 Ca -0.05 -1.34 -0.24 0.00 0.00 0.00 0.00 44.72 43.09 1u1d s GLY 96 CO -0.02 0.58 1.01 0.00 0.00 0.00 0.00 173.10 174.67 1u1d s ALA 97 N 1.52 3.11 -0.26 3.20 0.00 0.40 -1.13 121.76 128.60 1u1d s ALA 97 Ca 0.04 0.62 0.02 0.00 0.00 0.00 0.00 51.96 52.64 1u1d s ALA 97 Cb -0.16 -3.24 0.02 0.00 0.00 0.00 0.00 23.12 19.74 1u1d s ALA 97 CO 0.02 -0.08 0.58 0.44 0.00 0.00 0.00 175.76 176.71 1u1d n ILE 98 N -0.01 0.02 -3.84 0.00 -5.35 0.04 -0.13 119.36 110.09 1u1d n ILE 98 Ca 0.05 -0.51 -0.36 0.00 -0.27 0.00 0.00 62.75 61.65 1u1d n ILE 98 Cb 0.50 1.03 -0.07 0.00 -1.74 0.00 0.00 39.64 39.37 1u1d n ILE 98 CO 0.00 0.00 0.00 -1.10 -1.76 0.00 0.00 176.55 173.69 1u1d s GLN 99 N -0.19 3.64 0.48 6.28 -1.52 -1.23 -4.80 119.66 122.32 1u1d s GLN 99 Ca 0.02 -0.15 0.16 0.00 -1.95 0.00 0.00 55.36 53.45 1u1d s GLN 99 Cb 0.02 -3.25 1.13 0.00 -0.22 0.00 0.00 33.01 30.69 1u1d s GLN 99 CO 0.03 0.66 2.05 -1.35 -0.25 0.00 0.00 175.29 176.42 1u1d h PRO 100 N 5.41 0.00 0.00 2.91 0.11 -1.96 -2.85 132.00 135.63 1u1d h PRO 100 Ca -0.51 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.60 1u1d h PRO 100 Cb 1.21 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.32 1u1d h PRO 100 CO 0.63 0.13 -0.04 -2.39 -0.21 0.00 0.00 178.00 176.11 1u1d n HIS 101 N -4.32 0.72 -3.20 0.65 1.44 -1.26 -4.73 115.22 104.52 1u1d n HIS 101 Ca -0.03 0.21 -0.39 0.00 -2.01 0.00 0.00 57.72 55.50 1u1d n HIS 101 Cb 0.20 -0.83 -0.06 0.00 0.12 0.00 0.00 29.99 29.41 1u1d n HIS 101 CO 0.00 0.00 0.00 0.42 -2.81 0.00 0.00 176.34 173.95 1u1d s ILE 102 N -3.08 5.08 0.29 0.61 1.01 -1.08 -5.07 121.20 118.96 1u1d s ILE 102 Ca 0.11 1.05 0.06 0.00 0.00 0.00 0.00 60.65 61.86 1u1d s ILE 102 Cb 0.14 -3.88 -0.02 0.00 0.01 0.00 0.00 42.46 38.71 1u1d s ILE 102 CO 0.59 0.17 0.42 0.20 0.00 0.00 0.00 174.94 176.32 1u1d s ASN 103 N 1.12 6.15 0.20 3.58 0.02 -1.26 -4.88 114.94 119.87 1u1d s ASN 103 Ca 0.26 -0.03 -0.31 0.00 -1.02 0.00 0.00 52.86 51.76 1u1d s ASN 103 Cb -0.16 -1.56 -0.10 0.00 0.02 0.00 0.00 41.25 39.45 1u1d s ASN 103 CO 0.10 -0.26 1.56 -0.69 0.02 0.00 0.00 177.10 177.83 1u1d s VAL 104 N -2.09 2.51 0.00 1.60 1.01 -1.26 -2.21 120.40 119.95 1u1d s VAL 104 Ca 0.40 0.38 0.00 0.00 0.00 0.00 0.00 61.98 62.76 1u1d s VAL 104 Cb -0.09 -3.25 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1u1d s VAL 104 CO 0.30 0.04 0.00 0.61 0.00 0.00 0.00 175.10 176.05 1u1d n GLY 105 N 3.30 1.24 3.77 4.51 0.00 0.11 -5.01 105.19 113.11 1u1d n GLY 105 Ca 0.12 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.82 1u1d n GLY 105 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1u1d s ASP 106 N -1.69 4.88 -0.13 1.61 1.11 -0.94 -4.73 116.67 116.78 1u1d s ASP 106 Ca 0.00 1.90 -0.01 0.00 0.18 0.00 0.00 52.55 54.62 1u1d s ASP 106 Cb 0.00 -2.53 -0.02 0.00 1.07 0.00 0.00 42.92 41.44 1u1d s ASP 106 CO 0.00 -1.79 -0.10 -0.69 1.18 0.00 0.00 175.17 173.77 1u1d s VAL 107 N -2.62 3.32 -0.15 -1.27 1.01 -0.14 -1.01 120.40 119.53 1u1d s VAL 107 Ca 0.64 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 62.05 1u1d s VAL 107 Cb -0.19 -2.40 -0.00 0.00 0.00 0.00 0.00 36.38 33.79 1u1d s VAL 107 CO 0.48 0.52 -0.16 -0.76 0.00 0.00 0.00 175.10 175.19 1u1d s LEU 108 N 0.22 2.47 -0.21 3.92 1.43 0.16 -1.45 118.68 125.22 1u1d s LEU 108 Ca -0.06 -0.46 -0.07 0.00 -1.03 0.00 0.00 54.13 52.50 1u1d s LEU 108 Cb -0.15 -1.56 -0.04 0.00 0.03 0.00 0.00 46.19 44.48 1u1d s LEU 108 CO 0.04 0.10 0.07 -0.69 0.23 0.00 0.00 176.35 176.10 1u1d s VAL 109 N 0.75 4.60 -0.24 -1.59 1.01 -0.58 -1.24 120.40 123.11 1u1d s VAL 109 Ca -0.06 -0.09 -0.18 0.00 0.00 0.00 0.00 61.98 61.65 1u1d s VAL 109 Cb -0.15 -3.11 -0.03 0.00 0.00 0.00 0.00 36.38 33.09 1u1d s VAL 109 CO 0.01 0.40 0.51 -0.89 0.00 0.00 0.00 175.10 175.13 1u1d s THR 110 N 0.95 5.08 0.02 3.92 2.01 -0.63 -2.20 115.64 124.80 1u1d s THR 110 Ca 0.04 0.89 -0.17 0.00 0.31 0.00 0.00 61.69 62.76 1u1d s THR 110 Cb -0.14 -3.83 -0.33 0.00 0.01 0.00 0.00 72.50 68.21 1u1d s THR 110 CO 0.03 0.12 1.01 0.71 -0.69 0.00 0.00 174.62 175.79 1u1d h THR 111 N 5.31 1.33 -2.72 -0.82 1.35 -1.57 -3.41 112.91 112.38 1u1d h THR 111 Ca -0.30 -2.60 0.04 0.00 -0.55 0.00 0.00 66.41 63.00 1u1d h THR 111 Cb 1.14 2.98 -0.13 0.00 -1.73 0.00 0.00 68.15 70.42 1u1d h THR 111 CO 0.72 0.77 0.32 0.00 -0.25 0.00 0.00 175.52 177.09 1u1d s ALA 112 N -2.68 -1.66 0.03 6.62 0.00 -1.26 -0.57 121.76 122.25 1u1d s ALA 112 Ca -0.10 0.61 0.08 0.00 0.00 0.00 0.00 51.96 52.56 1u1d s ALA 112 Cb 0.04 0.71 -0.03 0.00 0.00 0.00 0.00 23.12 23.84 1u1d s ALA 112 CO 0.92 -0.77 -0.25 -1.12 0.00 0.00 0.00 175.76 174.55 1u1d s SER 113 N -2.67 2.96 -0.02 0.00 0.01 -0.07 -2.03 113.70 111.87 1u1d s SER 113 Ca 0.03 -0.54 -0.30 0.00 1.31 0.00 0.00 55.95 56.46 1u1d s SER 113 Cb -0.01 -0.28 -0.05 0.00 0.21 0.00 0.00 66.02 65.89 1u1d s SER 113 CO -0.10 0.25 1.36 -0.69 0.41 0.00 0.00 173.24 174.48 1u1d s VAL 114 N -0.74 3.84 -1.10 3.43 1.01 0.15 -4.30 120.40 122.70 1u1d s VAL 114 Ca 0.10 1.20 -0.17 0.00 0.00 0.00 0.00 61.98 63.11 1u1d s VAL 114 Cb -0.10 -3.77 0.13 0.00 0.00 0.00 0.00 36.38 32.64 1u1d s VAL 114 CO 0.01 -0.01 1.36 -0.13 0.00 0.00 0.00 175.10 176.33 1u1d s ARG 115 N 2.46 3.84 -0.51 2.72 0.52 -1.26 -1.50 118.95 125.21 1u1d s ARG 115 Ca 0.62 -2.05 0.02 0.00 -0.52 0.00 0.00 55.73 53.80 1u1d s ARG 115 Cb -0.30 -5.10 0.57 0.00 0.52 0.00 0.00 34.95 30.65 1u1d s ARG 115 CO 0.25 -1.88 1.91 1.28 0.02 0.00 0.00 175.30 176.89 1u1d n LEU 116 N 6.66 6.87 -4.62 2.53 4.77 -0.45 -4.96 117.00 127.81 1u1d n LEU 116 Ca 0.33 -3.90 -0.28 0.00 -0.03 0.00 0.00 56.01 52.13 1u1d n LEU 116 Cb 0.46 -0.86 -0.10 0.00 -2.33 0.00 0.00 43.42 40.59 1u1d n LEU 116 CO 0.60 1.25 -0.27 1.51 -1.33 0.00 0.00 177.39 179.15 1u1d s ASP 117 N -1.64 3.58 -0.19 -1.43 -4.77 -1.22 -1.59 116.67 109.41 1u1d s ASP 117 Ca 0.59 -1.47 0.07 0.00 -3.30 0.00 0.00 52.55 48.45 1u1d s ASP 117 Cb 0.48 -0.04 -0.17 0.00 -1.09 0.00 0.00 42.92 42.11 1u1d s ASP 117 CO 0.06 -0.62 -0.08 0.61 0.70 0.00 0.00 175.17 175.84 1u1d n GLY 118 N -0.99 -0.52 0.24 2.12 0.00 -1.26 -4.67 105.19 100.12 1u1d n GLY 118 Ca -0.08 -0.20 0.01 0.00 0.00 0.00 0.00 46.02 45.75 1u1d n GLY 118 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d h ALA 119 N 0.36 1.39 -0.75 4.61 0.00 -1.98 -2.58 119.26 120.31 1u1d h ALA 119 Ca -0.46 -0.24 0.06 0.00 0.00 0.00 0.00 54.91 54.27 1u1d h ALA 119 Cb 1.85 -0.11 -0.05 0.00 0.00 0.00 0.00 17.79 19.49 1u1d h ALA 119 CO -0.03 0.42 0.50 0.66 0.00 0.00 0.00 179.25 180.79 1u1d h SER 120 N 0.32 0.73 0.40 0.00 4.64 -1.85 -1.15 113.55 116.63 1u1d h SER 120 Ca 0.06 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.38 1u1d h SER 120 Cb 0.43 -0.16 -0.00 0.00 -0.31 0.00 0.00 62.40 62.36 1u1d h SER 120 CO 0.03 0.48 -0.01 -0.07 -0.87 0.00 0.00 176.83 176.38 1u1d h LEU 121 N 0.83 0.00 0.00 5.97 3.38 -1.56 -1.69 115.31 122.24 1u1d h LEU 121 Ca 0.32 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.29 1u1d h LEU 121 Cb 0.20 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.95 1u1d h LEU 121 CO -0.11 0.01 0.00 1.41 0.09 0.00 0.00 178.44 179.85 1u1d n HIS 122 N -3.17 0.00 -0.01 1.13 8.25 -0.43 -3.82 115.22 117.18 1u1d n HIS 122 Ca -0.02 0.00 -0.01 0.00 -0.26 0.00 0.00 57.72 57.44 1u1d n HIS 122 Cb 0.17 -0.24 -0.01 0.00 1.12 0.00 0.00 29.99 31.03 1u1d n HIS 122 CO 0.00 0.00 0.00 1.19 0.64 0.00 0.00 176.34 178.17 1u1d n PHE 123 N -1.24 0.00 -3.65 4.41 3.01 -0.71 -5.08 117.46 114.20 1u1d n PHE 123 Ca 0.15 0.00 -0.15 0.00 1.01 0.00 0.00 57.45 58.47 1u1d n PHE 123 Cb 0.21 -0.06 -0.08 0.00 -0.01 0.00 0.00 39.48 39.54 1u1d n PHE 123 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1u1d s ALA 124 N -2.03 -1.36 0.87 4.37 0.00 -0.76 -5.01 121.76 117.84 1u1d s ALA 124 Ca -0.01 1.23 -0.11 0.00 0.00 0.00 0.00 51.96 53.07 1u1d s ALA 124 Cb 0.00 -0.43 0.12 0.00 0.00 0.00 0.00 23.12 22.81 1u1d s ALA 124 CO 0.05 -0.29 1.14 -1.25 0.00 0.00 0.00 175.76 175.40 1u1d s PRO 125 N -0.49 1.40 0.45 0.00 0.04 -1.26 -3.84 135.00 131.29 1u1d s PRO 125 Ca -0.06 1.48 0.19 0.00 0.04 0.00 0.00 61.00 62.64 1u1d s PRO 125 Cb -0.03 -1.78 1.15 0.00 0.04 0.00 0.00 34.50 33.88 1u1d s PRO 125 CO 0.04 -2.34 1.93 1.25 0.04 0.00 0.00 177.00 177.93 1u1d h LEU 126 N -1.57 0.29 -2.26 -3.56 5.85 -1.93 -1.16 115.31 110.96 1u1d h LEU 126 Ca -0.44 0.02 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 1u1d h LEU 126 Cb 1.26 -0.04 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 1u1d h LEU 126 CO 0.44 0.15 -0.04 1.05 -0.34 0.00 0.00 178.44 179.70 1u1d h GLU 127 N 0.30 0.00 -6.57 1.25 9.09 -2.03 -3.42 114.58 113.20 1u1d h GLU 127 Ca 0.35 0.00 -0.53 0.00 0.05 0.00 0.00 59.36 59.23 1u1d h GLU 127 Cb 0.93 0.00 0.02 0.00 -1.65 0.00 0.00 28.75 28.05 1u1d h GLU 127 CO -0.09 0.04 0.66 0.12 0.05 0.00 0.00 179.01 179.79 1u1d s PHE 128 N -4.12 3.31 0.06 2.06 2.19 -0.44 -4.99 117.98 116.05 1u1d s PHE 128 Ca -0.03 1.13 -0.30 0.00 0.33 0.00 0.00 56.93 58.06 1u1d s PHE 128 Cb 0.12 -3.58 -0.05 0.00 -1.31 0.00 0.00 43.02 38.20 1u1d s PHE 128 CO 0.51 -1.91 1.14 -1.25 1.83 0.00 0.00 175.22 175.54 1u1d s PRO 129 N 0.72 4.48 -1.25 10.12 0.04 -1.26 -4.93 135.00 142.92 1u1d s PRO 129 Ca 0.60 1.68 -0.16 0.00 0.04 0.00 0.00 61.00 63.17 1u1d s PRO 129 Cb -0.35 -3.37 -0.03 0.00 0.04 0.00 0.00 34.50 30.80 1u1d s PRO 129 CO 0.32 -0.18 2.18 0.00 0.04 0.00 0.00 177.00 179.37 1u1d n ALA 130 N 3.76 4.99 -2.82 8.56 0.00 -1.26 -4.74 120.51 128.99 1u1d n ALA 130 Ca 0.08 -3.62 -0.37 0.00 0.00 0.00 0.00 53.44 49.52 1u1d n ALA 130 Cb 0.47 -3.54 -0.06 0.00 0.00 0.00 0.00 19.45 16.32 1u1d n ALA 130 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1u1d s VAL 131 N 3.68 5.45 0.53 0.00 0.11 -1.26 -0.89 120.40 128.01 1u1d s VAL 131 Ca 0.51 0.27 -0.18 0.00 -2.93 0.00 0.00 61.98 59.66 1u1d s VAL 131 Cb 0.14 -3.44 -0.07 0.00 -1.53 0.00 0.00 36.38 31.48 1u1d s VAL 131 CO -0.02 0.59 1.02 0.00 -3.33 0.00 0.00 175.10 173.36 1u1d s ALA 132 N -0.82 2.89 0.28 1.54 0.00 0.27 -4.68 121.76 121.23 1u1d s ALA 132 Ca 0.15 0.40 -0.30 0.00 0.00 0.00 0.00 51.96 52.21 1u1d s ALA 132 Cb -0.12 -3.20 -0.10 0.00 0.00 0.00 0.00 23.12 19.70 1u1d s ALA 132 CO 0.04 -0.44 1.40 0.34 0.00 0.00 0.00 175.76 177.10 1u1d s ASP 133 N -2.59 6.67 0.21 0.00 2.15 0.28 -4.92 116.67 118.46 1u1d s ASP 133 Ca 0.63 2.69 -0.08 0.00 0.43 0.00 0.00 52.55 56.22 1u1d s ASP 133 Cb -0.14 -2.63 0.14 0.00 -0.30 0.00 0.00 42.92 39.99 1u1d s ASP 133 CO 0.29 -0.67 1.76 0.15 -0.17 0.00 0.00 175.17 176.53 1u1d h PHE 134 N 4.46 1.19 -0.49 -5.34 3.04 -1.95 -0.75 116.94 117.10 1u1d h PHE 134 Ca -0.47 -0.10 -0.11 0.00 3.98 0.00 0.00 57.97 61.27 1u1d h PHE 134 Cb 1.22 -0.35 -0.01 0.00 2.56 0.00 0.00 35.95 39.37 1u1d h PHE 134 CO 0.59 0.92 -0.13 0.93 -2.02 0.00 0.00 178.31 178.59 1u1d h GLU 135 N 1.12 0.95 -0.38 1.11 5.08 -1.95 -0.78 114.58 119.73 1u1d h GLU 135 Ca 0.25 -0.37 -0.05 0.00 -1.00 0.00 0.00 59.36 58.19 1u1d h GLU 135 Cb 0.26 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1u1d h GLU 135 CO -0.02 1.04 0.04 0.00 -1.00 0.00 0.00 179.01 179.07 1u1d h THR 137 N 0.47 1.19 -0.28 0.00 2.02 -1.09 -1.61 112.91 113.61 1u1d h THR 137 Ca 0.11 -0.54 0.03 0.00 0.77 0.00 0.00 66.41 66.78 1u1d h THR 137 Cb 0.39 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.49 1u1d h THR 137 CO 0.01 0.21 0.11 0.74 0.37 0.00 0.00 175.52 176.95 1u1d h THR 138 N 0.58 0.94 -0.78 3.16 2.02 -1.06 -1.37 112.91 116.40 1u1d h THR 138 Ca 0.15 -0.08 -0.02 0.00 0.77 0.00 0.00 66.41 67.24 1u1d h THR 138 Cb 0.13 0.68 -0.04 0.00 -1.74 0.00 0.00 68.15 67.18 1u1d h THR 138 CO -0.02 0.04 0.43 0.00 0.37 0.00 0.00 175.52 176.34 1u1d h ALA 139 N 1.17 1.28 -0.32 6.16 0.00 -0.99 -0.12 119.26 126.44 1u1d h ALA 139 Ca 0.12 -0.12 -0.11 0.00 0.00 0.00 0.00 54.91 54.81 1u1d h ALA 139 Cb 0.08 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 17.55 1u1d h ALA 139 CO -0.12 0.58 -0.22 -0.07 0.00 0.00 0.00 179.25 179.42 1u1d h LEU 140 N 1.09 0.76 -0.50 0.00 3.38 -1.05 -0.03 115.31 118.96 1u1d h LEU 140 Ca 0.28 -0.43 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1u1d h LEU 140 Cb 0.03 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.54 1u1d h LEU 140 CO -0.04 1.03 0.17 0.58 0.09 0.00 0.00 178.44 180.27 1u1d h VAL 141 N 0.49 1.22 -0.52 1.22 2.07 -0.99 -0.80 116.25 118.95 1u1d h VAL 141 Ca 0.06 -0.72 -0.10 0.00 0.82 0.00 0.00 66.70 66.76 1u1d h VAL 141 Cb 0.77 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 31.29 1u1d h VAL 141 CO 0.06 0.27 -0.07 -0.33 0.02 0.00 0.00 177.57 177.52 1u1d h GLU 142 N 0.67 0.94 -0.47 1.57 4.39 -0.99 -2.33 114.58 118.36 1u1d h GLU 142 Ca 0.16 -0.31 -0.10 0.00 0.34 0.00 0.00 59.36 59.44 1u1d h GLU 142 Cb 0.24 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.80 1u1d h GLU 142 CO -0.01 0.97 -0.12 0.00 -1.16 0.00 0.00 179.01 178.70 1u1d h ALA 143 N 1.06 0.90 -0.61 3.43 0.00 -0.83 0.31 119.26 123.52 1u1d h ALA 143 Ca 0.14 -0.34 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1u1d h ALA 143 Cb 0.60 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 18.18 1u1d h ALA 143 CO 0.04 0.63 0.12 0.00 0.00 0.00 0.00 179.25 180.04 1u1d h ALA 144 N 1.08 1.05 -0.42 0.00 0.00 -1.03 -2.17 119.26 117.78 1u1d h ALA 144 Ca 0.13 -0.24 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 1u1d h ALA 144 Cb 0.63 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 1u1d h ALA 144 CO 0.04 0.62 -0.23 0.87 0.00 0.00 0.00 179.25 180.54 1u1d h LYS 145 N 0.93 0.90 0.13 0.00 1.57 -1.22 -2.10 116.57 116.78 1u1d h LYS 145 Ca 0.19 -0.41 0.01 0.00 -1.87 0.00 0.00 60.65 58.58 1u1d h LYS 145 Cb 0.37 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.65 1u1d h LYS 145 CO 0.01 1.06 -0.18 1.03 -0.57 0.00 0.00 179.45 180.80 1u1d h SER 146 N 0.72 -0.48 0.87 0.86 0.87 -0.58 -2.72 113.55 113.09 1u1d h SER 146 Ca 0.09 0.05 0.00 0.00 -1.23 0.00 0.00 61.79 60.70 1u1d h SER 146 Cb 0.81 0.18 0.00 0.00 -0.44 0.00 0.00 62.40 62.94 1u1d h SER 146 CO 0.07 -0.26 -0.31 2.30 -0.53 0.00 0.00 176.83 178.09 1u1d n ILE 147 N -5.30 0.17 -0.98 2.23 -5.35 -0.85 -5.02 119.36 104.26 1u1d n ILE 147 Ca -0.07 -0.11 0.00 0.00 -0.27 0.00 0.00 62.75 62.30 1u1d n ILE 147 Cb 0.22 -0.18 0.00 0.00 -1.74 0.00 0.00 39.64 37.94 1u1d n ILE 147 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1u1d n GLY 148 N 1.43 -2.39 3.38 3.28 0.00 -0.83 -5.10 105.19 104.96 1u1d n GLY 148 Ca 0.05 -0.59 -0.14 0.00 0.00 0.00 0.00 46.02 45.35 1u1d n GLY 148 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1u1d s ALA 149 N 0.00 -1.26 -0.61 4.61 0.00 -0.98 -4.99 121.76 118.53 1u1d s ALA 149 Ca 0.00 0.57 -0.28 0.00 0.00 0.00 0.00 51.96 52.25 1u1d s ALA 149 Cb 0.00 0.33 0.03 0.00 0.00 0.00 0.00 23.12 23.48 1u1d s ALA 149 CO 0.00 -0.47 1.20 0.99 0.00 0.00 0.00 175.76 177.48 1u1d s THR 150 N -2.29 3.98 -0.06 0.00 2.01 -1.26 -4.84 115.64 113.18 1u1d s THR 150 Ca -0.06 0.79 0.03 0.00 0.31 0.00 0.00 61.69 62.76 1u1d s THR 150 Cb -0.01 -4.75 -0.02 0.00 0.01 0.00 0.00 72.50 67.72 1u1d s THR 150 CO -0.01 -1.42 -0.14 -0.89 -0.69 0.00 0.00 174.62 171.48 1u1d s THR 151 N 5.04 3.11 -0.05 -0.82 2.01 -1.26 -0.97 115.64 122.70 1u1d s THR 151 Ca 0.41 -0.70 0.05 0.00 0.31 0.00 0.00 61.69 61.76 1u1d s THR 151 Cb -0.08 -2.23 -0.01 0.00 0.01 0.00 0.00 72.50 70.20 1u1d s THR 151 CO 0.23 0.58 -0.20 -1.00 -0.69 0.00 0.00 174.62 173.54 1u1d s HIS 152 N -0.58 2.02 -0.13 4.92 3.76 -0.53 -4.98 115.29 119.77 1u1d s HIS 152 Ca 0.08 -0.60 0.01 0.00 -0.15 0.00 0.00 55.06 54.40 1u1d s HIS 152 Cb -0.11 -1.34 -0.01 0.00 1.11 0.00 0.00 32.58 32.22 1u1d s HIS 152 CO 0.01 -0.19 -0.15 0.08 -0.85 0.00 0.00 174.74 173.64 1u1d s VAL 153 N -0.03 2.81 -2.76 -0.90 1.01 -1.26 -1.52 120.40 117.74 1u1d s VAL 153 Ca -0.04 -0.74 0.00 0.00 0.00 0.00 0.00 61.98 61.20 1u1d s VAL 153 Cb -0.13 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1u1d s VAL 153 CO 0.03 0.53 0.00 0.61 0.00 0.00 0.00 175.10 176.26 1u1d n GLY 154 N 3.68 -0.59 3.81 4.51 0.00 -0.93 -4.98 105.19 110.68 1u1d n GLY 154 Ca -0.18 -0.68 -0.38 0.00 0.00 0.00 0.00 46.02 44.77 1u1d n GLY 154 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 155 N -3.59 4.75 -0.04 1.61 1.01 -1.26 -1.40 120.40 121.47 1u1d s VAL 155 Ca 0.00 1.17 0.07 0.00 0.00 0.00 0.00 61.98 63.22 1u1d s VAL 155 Cb 0.00 -3.88 -0.02 0.00 0.00 0.00 0.00 36.38 32.49 1u1d s VAL 155 CO 0.00 0.50 -0.25 -0.89 0.00 0.00 0.00 175.10 174.46 1u1d s THR 156 N -1.17 2.13 -0.32 3.92 2.01 -0.86 -0.91 115.64 120.43 1u1d s THR 156 Ca 0.31 -1.06 -0.21 0.00 0.31 0.00 0.00 61.69 61.03 1u1d s THR 156 Cb -0.19 -1.75 -0.00 0.00 0.01 0.00 0.00 72.50 70.57 1u1d s THR 156 CO 0.19 0.58 0.69 0.00 -0.69 0.00 0.00 174.62 175.38 1u1d s ALA 157 N -0.40 3.50 -0.37 7.40 0.00 0.13 0.32 121.76 132.34 1u1d s ALA 157 Ca 0.04 -0.64 -0.09 0.00 0.00 0.00 0.00 51.96 51.27 1u1d s ALA 157 Cb -0.12 -3.20 0.05 0.00 0.00 0.00 0.00 23.12 19.85 1u1d s ALA 157 CO 0.01 -1.21 0.18 0.45 0.00 0.00 0.00 175.76 175.19 1u1d s SER 158 N 1.70 5.54 -0.01 0.00 0.15 -0.56 -1.89 113.70 118.61 1u1d s SER 158 Ca 0.27 -1.19 0.01 0.00 0.70 0.00 0.00 55.95 55.75 1u1d s SER 158 Cb -0.14 -1.95 -0.04 0.00 -1.71 0.00 0.00 66.02 62.18 1u1d s SER 158 CO 0.13 -0.40 -0.01 -0.55 1.20 0.00 0.00 173.24 173.62 1u1d s SER 159 N 1.62 5.09 0.00 5.45 0.15 0.16 -1.34 113.70 124.83 1u1d s SER 159 Ca 0.01 0.00 0.24 0.00 0.70 0.00 0.00 55.95 56.90 1u1d s SER 159 Cb -0.20 -1.33 1.04 0.00 -1.71 0.00 0.00 66.02 63.81 1u1d s SER 159 CO 0.04 0.30 1.77 0.47 1.20 0.00 0.00 173.24 177.01 1u1d n ASP 160 N 1.52 0.00 -4.27 5.45 9.92 -0.62 -4.35 116.55 124.20 1u1d n ASP 160 Ca -0.15 0.45 -0.19 0.00 -0.53 0.00 0.00 54.79 54.37 1u1d n ASP 160 Cb 0.53 -0.48 -0.11 0.00 -0.64 0.00 0.00 41.12 40.42 1u1d n ASP 160 CO 0.00 0.00 0.00 0.42 0.13 0.00 0.00 177.20 177.75 1u1d s THR 161 N -2.96 1.49 0.05 -3.53 -4.23 -1.26 -5.02 115.64 100.18 1u1d s THR 161 Ca 0.13 -1.83 0.06 0.00 -1.18 0.00 0.00 61.69 58.86 1u1d s THR 161 Cb 0.16 -1.68 -0.23 0.00 1.34 0.00 0.00 72.50 72.09 1u1d s THR 161 CO 0.43 -0.43 1.03 0.15 -0.54 0.00 0.00 174.62 175.26 1u1d h PHE 162 N 3.32 0.12 0.00 3.99 3.57 -1.97 -3.39 116.94 122.58 1u1d h PHE 162 Ca -0.40 -0.09 0.00 0.00 3.53 0.00 0.00 57.97 61.01 1u1d h PHE 162 Cb 1.20 -0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.94 1u1d h PHE 162 CO 0.66 1.09 0.00 0.66 -2.23 0.00 0.00 178.31 178.50 1u1d n TYR 163 N -3.30 0.00 -0.11 0.41 4.02 -1.26 -4.34 117.16 112.57 1u1d n TYR 163 Ca -0.08 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.76 1u1d n TYR 163 Cb 0.99 0.00 0.14 0.00 -0.02 0.00 0.00 39.34 40.46 1u1d n TYR 163 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1u1d h PRO 164 N 0.00 0.81 0.00 -0.72 0.13 -1.87 0.13 132.00 130.47 1u1d h PRO 164 Ca 0.00 -0.23 0.00 0.00 -0.87 0.00 0.00 66.00 64.90 1u1d h PRO 164 Cb 0.00 -0.09 0.00 0.00 0.13 0.00 0.00 31.00 31.04 1u1d h PRO 164 CO 0.00 0.83 0.00 0.78 -0.23 0.00 0.00 178.00 179.38 1u1d h GLY 165 N 0.98 0.00 -1.62 1.56 0.00 -1.87 -1.07 103.07 101.05 1u1d h GLY 165 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1u1d h GLY 165 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 1u1d n GLN 166 N -2.46 3.00 -3.96 4.80 6.02 -0.86 -4.93 117.38 118.99 1u1d n GLN 166 Ca 0.01 -2.68 -0.26 0.00 -0.01 0.00 0.00 57.00 54.06 1u1d n GLN 166 Cb 0.23 -1.73 -0.02 0.00 1.02 0.00 0.00 30.24 29.74 1u1d n GLN 166 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14 1u1d n GLU 167 N -0.21 -2.98 -3.29 -1.09 2.13 -0.40 -4.94 120.64 109.85 1u1d n GLU 167 Ca 0.19 0.38 -0.38 0.00 0.66 0.00 0.00 57.16 58.02 1u1d n GLU 167 Cb 0.80 -4.42 -0.06 0.00 0.27 0.00 0.00 31.44 28.04 1u1d n GLU 167 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 1u1d s ARG 168 N -6.58 4.35 0.00 5.31 0.52 0.39 -4.96 118.95 117.98 1u1d s ARG 168 Ca 0.04 0.49 0.15 0.00 -0.52 0.00 0.00 55.73 55.89 1u1d s ARG 168 Cb -0.02 -3.44 -0.14 0.00 0.52 0.00 0.00 34.95 31.88 1u1d s ARG 168 CO 0.89 0.15 0.66 0.66 0.02 0.00 0.00 175.30 177.68 1u1d n TYR 169 N 3.67 0.00 -1.17 -0.53 4.02 -1.26 -4.38 117.16 117.51 1u1d n TYR 169 Ca -0.07 0.00 -0.34 0.00 -0.01 0.00 0.00 57.90 57.48 1u1d n TYR 169 Cb 0.52 0.00 -0.02 0.00 -0.02 0.00 0.00 39.34 39.81 1u1d n TYR 169 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 176.86 175.45 1u1d n ASP 170 N -1.19 6.92 -4.08 7.72 5.75 -1.26 -4.25 116.55 126.16 1u1d n ASP 170 Ca 0.03 -2.52 -0.25 0.00 -0.01 0.00 0.00 54.79 52.04 1u1d n ASP 170 Cb 0.24 -1.41 -0.08 0.00 -1.03 0.00 0.00 41.12 38.84 1u1d n ASP 170 CO 0.00 0.00 0.00 0.42 -0.11 0.00 0.00 177.20 177.51 1u1d s THR 171 N 2.76 0.57 0.11 2.12 -4.23 -1.26 -5.03 115.64 110.68 1u1d s THR 171 Ca 0.58 -2.00 -0.21 0.00 -1.18 0.00 0.00 61.69 58.88 1u1d s THR 171 Cb 0.15 -2.35 -0.10 0.00 1.34 0.00 0.00 72.50 71.54 1u1d s THR 171 CO -0.05 0.00 1.76 0.22 -0.54 0.00 0.00 174.62 176.02 1u1d h TYR 172 N 1.80 0.16 0.09 3.99 5.03 -1.99 -3.19 116.97 122.86 1u1d h TYR 172 Ca -0.35 0.00 -0.26 0.00 2.58 0.00 0.00 58.73 60.71 1u1d h TYR 172 Cb 1.27 -0.05 -0.01 0.00 1.55 0.00 0.00 36.73 39.49 1u1d h TYR 172 CO 1.52 0.10 -1.20 0.66 -1.32 0.00 0.00 178.16 177.92 1u1d h SER 173 N 0.17 0.30 -0.15 -2.11 4.64 -1.97 -3.47 113.55 110.95 1u1d h SER 173 Ca 0.05 -0.33 -0.07 0.00 -0.47 0.00 0.00 61.79 60.98 1u1d h SER 173 Cb -0.02 -0.10 -0.03 0.00 -0.31 0.00 0.00 62.40 61.95 1u1d h SER 173 CO -0.01 1.26 -0.06 0.61 -0.87 0.00 0.00 176.83 177.76 1u1d n GLY 174 N 1.49 0.58 3.37 -0.77 0.00 -1.21 -5.01 105.19 103.64 1u1d n GLY 174 Ca -0.07 -0.26 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1u1d n GLY 174 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1u1d s ARG 175 N -1.52 1.37 -0.07 1.61 1.70 -1.26 -4.93 118.95 115.85 1u1d s ARG 175 Ca 0.00 -1.41 0.03 0.00 -0.47 0.00 0.00 55.73 53.89 1u1d s ARG 175 Cb 0.00 -1.64 0.00 0.00 -0.57 0.00 0.00 34.95 32.74 1u1d s ARG 175 CO 0.00 0.36 -0.17 0.08 -1.08 0.00 0.00 175.30 174.49 1u1d s VAL 176 N -1.59 1.48 0.48 4.99 1.01 -1.26 -4.92 120.40 120.58 1u1d s VAL 176 Ca 0.16 -0.70 -0.23 0.00 0.00 0.00 0.00 61.98 61.21 1u1d s VAL 176 Cb -0.08 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.92 1u1d s VAL 176 CO 0.07 0.43 1.05 0.55 0.00 0.00 0.00 175.10 177.20 1u1d n VAL 177 N 3.51 2.85 -0.31 2.92 3.14 -1.26 -4.62 118.33 124.56 1u1d n VAL 177 Ca -0.20 -0.50 0.12 0.00 -2.96 0.00 0.00 64.34 60.80 1u1d n VAL 177 Cb 0.52 -1.24 0.27 0.00 -1.06 0.00 0.00 33.84 32.33 1u1d n VAL 177 CO 0.00 0.00 0.00 -0.09 -6.46 0.00 0.00 176.83 170.28 1u1d h ARG 178 N 1.33 0.09 -0.72 1.45 2.43 -2.00 -0.23 114.38 116.73 1u1d h ARG 178 Ca -0.46 -0.01 0.11 0.00 -0.81 0.00 0.00 59.98 58.81 1u1d h ARG 178 Cb 1.34 -0.02 -0.05 0.00 -0.42 0.00 0.00 29.97 30.82 1u1d h ARG 178 CO 0.56 0.06 0.47 1.25 -1.51 0.00 0.00 179.97 180.80 1u1d h HIS 179 N 0.09 0.59 -0.02 2.20 2.76 -2.02 -2.29 115.15 116.46 1u1d h HIS 179 Ca 0.55 0.02 0.00 0.00 -2.20 0.00 0.00 60.37 58.73 1u1d h HIS 179 Cb 1.10 -0.19 0.00 0.00 1.55 0.00 0.00 27.41 29.87 1u1d h HIS 179 CO -0.40 0.27 -0.06 1.19 -1.30 0.00 0.00 177.93 177.63 1u1d n PHE 180 N -4.49 0.00 -2.07 5.26 3.01 -0.16 -4.79 117.46 114.22 1u1d n PHE 180 Ca 0.12 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 58.16 1u1d n PHE 180 Cb 0.39 0.00 -0.03 0.00 -0.01 0.00 0.00 39.48 39.83 1u1d n PHE 180 CO 0.00 0.00 0.00 0.15 1.01 0.00 0.00 176.76 177.92 1u1d s LYS 181 N -1.78 4.21 -0.12 -1.08 -0.14 -0.85 -2.09 119.74 117.89 1u1d s LYS 181 Ca 0.22 2.13 0.00 0.00 -1.36 0.00 0.00 55.97 56.96 1u1d s LYS 181 Cb 0.17 -3.81 0.00 0.00 -1.68 0.00 0.00 37.83 32.51 1u1d s LYS 181 CO 0.29 -0.76 0.00 0.41 -0.76 0.00 0.00 175.35 174.54 1u1d n GLY 182 N 3.96 0.46 0.22 -3.33 0.00 -1.26 -4.94 105.19 100.31 1u1d n GLY 182 Ca 0.16 -0.17 -0.12 0.00 0.00 0.00 0.00 46.02 45.88 1u1d n GLY 182 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1u1d h SER 183 N 0.00 0.78 -0.42 1.61 4.64 -1.73 -2.97 113.55 115.46 1u1d h SER 183 Ca -0.02 -0.43 0.00 0.00 -0.47 0.00 0.00 61.79 60.87 1u1d h SER 183 Cb 0.28 -0.22 -0.02 0.00 -0.31 0.00 0.00 62.40 62.13 1u1d h SER 183 CO 0.04 1.19 0.26 -0.03 -0.87 0.00 0.00 176.83 177.42 1u1d h MET 184 N 0.52 0.56 -0.80 4.77 -1.53 -1.92 -0.51 114.93 116.01 1u1d h MET 184 Ca 0.00 -0.04 0.02 0.00 -3.44 0.00 0.00 59.70 56.24 1u1d h MET 184 Cb 1.16 -0.12 -0.04 0.00 -0.55 0.00 0.00 31.60 32.05 1u1d h MET 184 CO 0.12 0.40 0.53 1.49 0.14 0.00 0.00 176.91 179.58 1u1d h GLU 185 N 0.56 1.01 -0.12 0.39 4.81 -1.97 0.65 114.58 119.91 1u1d h GLU 185 Ca 0.15 -0.06 -0.02 0.00 -0.13 0.00 0.00 59.36 59.31 1u1d h GLU 185 Cb -0.03 -0.23 -0.00 0.00 0.63 0.00 0.00 28.75 29.12 1u1d h GLU 185 CO -0.03 0.67 0.02 1.49 -0.73 0.00 0.00 179.01 180.42 1u1d h GLU 186 N 1.04 0.20 -0.85 1.92 4.57 -1.25 -1.65 114.58 118.57 1u1d h GLU 186 Ca 0.31 -0.06 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1u1d h GLU 186 Cb -0.05 -0.02 -0.04 0.00 -0.16 0.00 0.00 28.75 28.48 1u1d h GLU 186 CO -0.08 0.41 0.47 -1.49 -1.18 0.00 0.00 179.01 177.14 1u1d h TRP 187 N -0.03 1.16 -0.36 0.92 -0.00 -0.75 -2.04 115.95 114.85 1u1d h TRP 187 Ca 0.04 -0.03 0.03 0.00 -0.00 0.00 0.00 58.89 58.93 1u1d h TRP 187 Cb 0.31 -0.37 -0.03 0.00 -0.00 0.00 0.00 29.16 29.06 1u1d h TRP 187 CO 0.02 0.81 0.17 1.96 -0.00 0.00 0.00 178.44 181.39 1u1d h GLN 188 N 1.18 0.34 0.00 0.49 4.20 -0.79 -1.27 115.11 119.25 1u1d h GLN 188 Ca 0.30 -0.02 -0.04 0.00 0.06 0.00 0.00 58.65 58.95 1u1d h GLN 188 Cb 0.03 -0.08 -0.01 0.00 0.30 0.00 0.00 27.48 27.73 1u1d h GLN 188 CO -0.05 0.22 -0.18 0.00 -0.67 0.00 0.00 178.83 178.15 1u1d h ALA 189 N 1.20 1.49 -0.05 3.87 0.00 -1.04 -2.13 119.26 122.59 1u1d h ALA 189 Ca 0.15 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.90 1u1d h ALA 189 Cb 0.08 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 17.84 1u1d h ALA 189 CO -0.12 0.23 0.00 -1.33 0.00 0.00 0.00 179.25 178.03 1u1d n MET 190 N -4.02 1.43 -0.91 0.00 2.81 -0.79 -4.92 117.12 110.72 1u1d n MET 190 Ca -0.02 -0.63 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1u1d n MET 190 Cb 0.26 -1.43 0.00 0.00 -0.71 0.00 0.00 33.22 31.34 1u1d n MET 190 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1u1d n GLY 191 N 1.06 0.51 3.72 3.03 0.00 -0.80 -5.02 105.19 107.70 1u1d n GLY 191 Ca 0.19 -0.28 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 1u1d n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1u1d s VAL 192 N -2.00 2.68 0.05 1.61 1.01 -0.55 -4.61 120.40 118.59 1u1d s VAL 192 Ca 0.00 0.49 -0.16 0.00 0.00 0.00 0.00 61.98 62.31 1u1d s VAL 192 Cb 0.00 -3.31 -0.29 0.00 0.00 0.00 0.00 36.38 32.78 1u1d s VAL 192 CO 0.00 0.04 1.09 0.24 0.00 0.00 0.00 175.10 176.47 1u1d h MET 193 N 6.79 0.60 -2.65 2.72 0.00 -1.35 -3.41 114.93 117.62 1u1d h MET 193 Ca -0.43 -0.80 0.12 0.00 0.00 0.00 0.00 59.70 58.60 1u1d h MET 193 Cb 1.20 0.26 -0.07 0.00 0.00 0.00 0.00 31.60 33.00 1u1d h MET 193 CO 0.91 1.36 0.36 0.54 0.00 0.00 0.00 176.91 180.08 1u1d s ASN 194 N -7.37 -0.23 -0.11 1.22 6.03 -1.26 -0.78 114.94 112.44 1u1d s ASN 194 Ca -0.10 -0.48 0.00 0.00 -1.03 0.00 0.00 52.86 51.25 1u1d s ASN 194 Cb 0.05 0.60 -0.02 0.00 -3.03 0.00 0.00 41.25 38.85 1u1d s ASN 194 CO 0.92 -1.10 -0.11 -0.31 -2.03 0.00 0.00 177.10 174.47 1u1d s TYR 195 N -3.58 2.84 0.00 1.54 4.12 -0.28 -0.69 117.35 121.29 1u1d s TYR 195 Ca 0.11 -0.41 0.00 0.00 0.02 0.00 0.00 57.07 56.79 1u1d s TYR 195 Cb -0.03 -1.80 0.00 0.00 -1.52 0.00 0.00 41.96 38.60 1u1d s TYR 195 CO 0.04 -0.04 0.00 -0.85 0.02 0.00 0.00 175.55 174.72 1u1d n GLU 196 N 3.13 0.00 0.00 -0.62 -0.00 -0.80 -2.61 120.64 119.74 1u1d n GLU 196 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 56.98 1u1d n GLU 196 Cb 0.53 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.97 1u1d n GLU 196 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.13 175.80 1u1d n MET 197 N 0.00 0.81 0.00 3.44 2.81 -1.26 -0.67 117.12 122.25 1u1d n MET 197 Ca 0.00 -0.78 0.00 0.00 -1.81 0.00 0.00 57.70 55.11 1u1d n MET 197 Cb 0.00 -0.81 0.00 0.00 -0.71 0.00 0.00 33.22 31.70 1u1d n MET 197 CO 0.00 0.00 0.00 0.39 1.51 0.00 0.00 175.97 177.87 1u1d n GLU 198 N -0.18 3.16 -0.27 0.03 4.71 -1.26 -3.52 120.64 123.31 1u1d n GLU 198 Ca 0.00 0.00 -0.07 0.00 -0.01 0.00 0.00 57.16 57.08 1u1d n GLU 198 Cb 0.24 -0.70 0.05 0.00 -1.01 0.00 0.00 31.44 30.02 1u1d n GLU 198 CO 0.00 0.00 0.00 0.66 0.09 0.00 0.00 177.13 177.88 1u1d h SER 199 N 0.00 1.10 -0.49 1.62 4.64 -1.94 -1.74 113.55 116.73 1u1d h SER 199 Ca 0.00 -0.21 0.03 0.00 -0.47 0.00 0.00 61.79 61.14 1u1d h SER 199 Cb 0.09 -0.29 -0.04 0.00 -0.31 0.00 0.00 62.40 61.85 1u1d h SER 199 CO 0.00 1.02 0.27 0.00 -0.87 0.00 0.00 176.83 177.26 1u1d h ALA 200 N 1.12 0.63 0.15 5.18 0.00 -1.87 0.23 119.26 124.69 1u1d h ALA 200 Ca 0.24 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1u1d h ALA 200 Cb 0.33 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1u1d h ALA 200 CO -0.01 -0.05 -0.07 1.15 0.00 0.00 0.00 179.25 180.28 1u1d h THR 201 N 0.54 0.96 0.13 0.00 2.02 -1.87 -2.08 112.91 112.61 1u1d h THR 201 Ca 0.20 -0.46 0.01 0.00 0.77 0.00 0.00 66.41 66.93 1u1d h THR 201 Cb 0.06 1.25 -0.01 0.00 -1.74 0.00 0.00 68.15 67.70 1u1d h THR 201 CO -0.11 0.11 -0.14 0.25 0.37 0.00 0.00 175.52 175.99 1u1d h LEU 202 N -0.42 -0.39 -0.59 2.58 5.85 -1.10 -1.32 115.31 119.93 1u1d h LEU 202 Ca -0.02 0.04 -0.10 0.00 0.84 0.00 0.00 57.88 58.64 1u1d h LEU 202 Cb 0.33 0.14 -0.02 0.00 0.37 0.00 0.00 40.66 41.48 1u1d h LEU 202 CO 0.03 -0.22 -0.01 -0.07 -0.34 0.00 0.00 178.44 177.83 1u1d h LEU 203 N -0.31 1.03 0.00 2.25 3.38 -0.62 -1.93 115.31 119.11 1u1d h LEU 203 Ca 0.01 -0.31 -0.00 0.00 0.09 0.00 0.00 57.88 57.67 1u1d h LEU 203 Cb 0.30 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1u1d h LEU 203 CO -0.05 1.09 -0.00 0.74 0.09 0.00 0.00 178.44 180.32 1u1d h THR 204 N 0.94 1.21 0.00 0.22 2.02 -1.32 -1.12 112.91 114.86 1u1d h THR 204 Ca 0.17 -0.63 -0.06 0.00 0.77 0.00 0.00 66.41 66.66 1u1d h THR 204 Cb 0.57 1.64 -0.01 0.00 -1.74 0.00 0.00 68.15 68.61 1u1d h THR 204 CO 0.03 0.16 -0.28 0.00 0.37 0.00 0.00 175.52 175.81 1u1d h MET 205 N -0.27 0.00 0.11 6.66 -0.00 -1.20 -1.74 114.93 118.50 1u1d h MET 205 Ca -0.00 0.00 -0.17 0.00 -0.00 0.00 0.00 59.70 59.53 1u1d h MET 205 Cb 0.27 0.00 0.01 0.00 -0.00 0.00 0.00 31.60 31.88 1u1d h MET 205 CO 0.00 0.28 -0.81 0.00 -0.00 0.00 0.00 176.91 176.38 1u1d h ALA 207 N 0.03 1.36 -0.30 0.00 0.00 -1.11 0.30 119.26 119.53 1u1d h ALA 207 Ca -0.16 -0.15 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1u1d h ALA 207 Cb 1.55 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.32 1u1d h ALA 207 CO 0.10 0.21 0.00 -1.13 0.00 0.00 0.00 179.25 178.43 1u1d n SER 208 N -3.82 2.90 -0.11 0.00 3.41 -0.66 -4.24 113.62 111.10 1u1d n SER 208 Ca -0.02 -1.91 0.01 0.00 -0.26 0.00 0.00 58.87 56.69 1u1d n SER 208 Cb 0.27 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.04 1u1d n SER 208 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1u1d n GLN 209 N 1.14 0.91 -1.74 4.33 6.02 -0.95 -5.01 117.38 122.08 1u1d n GLN 209 Ca 0.18 -1.11 -0.08 0.00 -0.01 0.00 0.00 57.00 55.98 1u1d n GLN 209 Cb 0.52 -0.75 -0.02 0.00 1.02 0.00 0.00 30.24 31.02 1u1d n GLN 209 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1u1d n GLY 210 N -0.30 0.47 3.67 1.08 0.00 -0.98 -5.03 105.19 104.10 1u1d n GLY 210 Ca 0.02 -0.62 -0.33 0.00 0.00 0.00 0.00 46.02 45.09 1u1d n GLY 210 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1u1d s LEU 211 N -2.04 3.49 -0.07 0.99 1.43 0.05 -5.05 118.68 117.49 1u1d s LEU 211 Ca 0.00 -0.00 -0.21 0.00 -1.03 0.00 0.00 54.13 52.89 1u1d s LEU 211 Cb 0.00 -1.97 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1u1d s LEU 211 CO 0.00 0.29 0.62 -0.13 0.23 0.00 0.00 176.35 177.36 1u1d s ARG 212 N -1.45 4.39 -0.00 1.70 0.52 -0.57 -3.84 118.95 119.70 1u1d s ARG 212 Ca 0.18 0.74 0.02 0.00 -0.52 0.00 0.00 55.73 56.15 1u1d s ARG 212 Cb -0.11 -3.42 -0.00 0.00 0.52 0.00 0.00 34.95 31.93 1u1d s ARG 212 CO 0.09 0.15 -0.05 0.00 0.02 0.00 0.00 175.30 175.51 1u1d s ALA 213 N 0.55 0.45 0.10 2.13 0.00 -1.26 -0.32 121.76 123.41 1u1d s ALA 213 Ca 0.33 -0.24 0.05 0.00 0.00 0.00 0.00 51.96 52.10 1u1d s ALA 213 Cb -0.17 -0.11 -0.03 0.00 0.00 0.00 0.00 23.12 22.80 1u1d s ALA 213 CO 0.16 0.11 -0.13 0.20 0.00 0.00 0.00 175.76 176.10 1u1d s GLY 214 N -0.15 0.96 -0.06 0.00 0.00 -0.20 -0.55 107.32 107.31 1u1d s GLY 214 Ca 0.02 -1.19 -0.01 0.00 0.00 0.00 0.00 44.72 43.54 1u1d s GLY 214 CO -0.00 -1.24 0.00 -0.29 0.00 0.00 0.00 173.10 171.57 1u1d s MET 215 N -2.46 0.51 0.02 2.90 1.75 -1.26 -0.79 119.30 119.97 1u1d s MET 215 Ca 0.05 0.11 0.02 0.00 -1.25 0.00 0.00 55.69 54.62 1u1d s MET 215 Cb -0.06 -0.82 -0.01 0.00 2.84 0.00 0.00 34.83 36.78 1u1d s MET 215 CO 0.02 -0.25 -0.07 0.54 -0.65 0.00 0.00 175.02 174.61 1u1d s VAL 216 N 1.70 0.53 -0.03 10.11 0.11 -0.20 -1.60 120.40 131.01 1u1d s VAL 216 Ca 0.00 -0.60 -0.10 0.00 -2.93 0.00 0.00 61.98 58.35 1u1d s VAL 216 Cb -0.13 -0.51 0.02 0.00 -1.53 0.00 0.00 36.38 34.23 1u1d s VAL 216 CO -0.04 -0.07 0.23 0.00 -3.33 0.00 0.00 175.10 171.90 1u1d s ALA 217 N -0.64 -0.57 -0.16 1.54 0.00 -0.37 -1.09 121.76 120.48 1u1d s ALA 217 Ca -0.02 0.28 -0.11 0.00 0.00 0.00 0.00 51.96 52.11 1u1d s ALA 217 Cb -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 23.12 22.95 1u1d s ALA 217 CO 0.00 -0.20 0.21 0.20 0.00 0.00 0.00 175.76 175.97 1u1d s GLY 218 N -0.88 2.14 -0.32 0.00 0.00 -0.81 -0.66 107.32 106.81 1u1d s GLY 218 Ca -0.10 -0.57 -0.29 0.00 0.00 0.00 0.00 44.72 43.77 1u1d s GLY 218 CO 0.02 0.19 1.16 0.14 0.00 0.00 0.00 173.10 174.61 1u1d s VAL 219 N 0.16 4.36 -0.57 1.40 1.01 -0.18 -2.19 120.40 124.39 1u1d s VAL 219 Ca 0.13 1.56 0.12 0.00 0.00 0.00 0.00 61.98 63.79 1u1d s VAL 219 Cb -0.12 -4.33 -0.13 0.00 0.00 0.00 0.00 36.38 31.80 1u1d s VAL 219 CO 0.02 -0.49 0.51 2.30 0.00 0.00 0.00 175.10 177.44 1u1d n ILE 220 N 6.01 0.00 -3.72 2.22 -5.35 -1.02 0.09 119.36 117.60 1u1d n ILE 220 Ca 0.13 -0.21 -0.13 0.00 -0.27 0.00 0.00 62.75 62.26 1u1d n ILE 220 Cb 0.47 0.98 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 1u1d n ILE 220 CO 0.00 0.00 0.00 0.54 -1.76 0.00 0.00 176.55 175.33 1u1d s VAL 221 N -2.17 0.00 -0.22 7.28 0.11 -1.24 -4.63 120.40 119.53 1u1d s VAL 221 Ca 0.04 -0.01 -0.04 0.00 -2.93 0.00 0.00 61.98 59.04 1u1d s VAL 221 Cb 0.09 -0.65 -0.01 0.00 -1.53 0.00 0.00 36.38 34.28 1u1d s VAL 221 CO 0.50 -0.01 -0.02 0.21 -3.33 0.00 0.00 175.10 172.46 1u1d s ASN 222 N 0.20 4.49 0.32 3.54 3.84 -1.26 -0.46 114.94 125.62 1u1d s ASN 222 Ca -0.00 -0.34 0.25 0.00 0.21 0.00 0.00 52.86 52.98 1u1d s ASN 222 Cb -0.03 -1.78 1.13 0.00 -0.55 0.00 0.00 41.25 40.02 1u1d s ASN 222 CO 0.01 -0.01 1.76 0.03 -2.79 0.00 0.00 177.10 176.10 1u1d h ARG 223 N 8.01 0.00 -0.08 0.43 2.47 -0.69 -1.67 114.38 122.85 1u1d h ARG 223 Ca -0.40 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.32 1u1d h ARG 223 Cb 1.17 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 29.49 1u1d h ARG 223 CO 0.60 0.00 0.00 0.25 0.56 0.00 0.00 179.97 181.38 1u1d n THR 224 N -2.38 0.09 0.00 2.04 -2.24 -1.26 -4.53 114.28 106.01 1u1d n THR 224 Ca 0.01 -0.30 0.00 0.00 -2.27 0.00 0.00 64.05 61.49 1u1d n THR 224 Cb 0.19 0.46 0.00 0.00 -2.10 0.00 0.00 70.33 68.87 1u1d n THR 224 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1u1d n GLN 225 N 0.26 0.00 -3.92 -0.78 10.64 -0.75 -5.08 117.38 117.74 1u1d n GLN 225 Ca 0.18 0.00 -0.10 0.00 -1.83 0.00 0.00 57.00 55.25 1u1d n GLN 225 Cb 0.35 -0.55 -0.06 0.00 -0.86 0.00 0.00 30.24 29.11 1u1d n GLN 225 CO 0.00 0.00 0.00 1.14 -1.83 0.00 0.00 177.06 176.37 1u1d s GLN 226 N -1.52 1.24 -0.06 2.61 0.00 -0.70 -5.08 119.66 116.15 1u1d s GLN 226 Ca 0.00 -1.13 -0.02 0.00 -0.00 0.00 0.00 55.36 54.22 1u1d s GLN 226 Cb 0.00 0.41 -0.03 0.00 0.00 0.00 0.00 33.01 33.39 1u1d s GLN 226 CO 0.00 -0.48 -0.06 -1.91 0.00 0.00 0.00 175.29 172.84 1u1d n GLU 227 N -0.26 0.12 -2.87 9.60 4.07 -1.26 -4.16 120.64 125.89 1u1d n GLU 227 Ca -0.07 0.04 -0.42 0.00 -0.06 0.00 0.00 57.16 56.65 1u1d n GLU 227 Cb 0.63 -0.87 -0.04 0.00 -0.06 0.00 0.00 31.44 31.10 1u1d n GLU 227 CO 0.00 0.00 0.00 0.42 -0.06 0.00 0.00 177.13 177.49 1u1d s ILE 228 N -2.10 4.76 0.34 6.31 1.01 -1.26 -4.99 121.20 125.27 1u1d s ILE 228 Ca -0.08 1.43 -0.24 0.00 0.00 0.00 0.00 60.65 61.76 1u1d s ILE 228 Cb 0.03 -4.18 -0.10 0.00 0.01 0.00 0.00 42.46 38.21 1u1d s ILE 228 CO 0.11 -0.22 0.93 -2.84 0.00 0.00 0.00 174.94 172.92 1u1d s PRO 229 N 3.03 4.47 0.29 2.79 0.02 -1.26 -5.04 135.00 139.30 1u1d s PRO 229 Ca 0.36 1.24 -0.29 0.00 0.02 0.00 0.00 61.00 62.33 1u1d s PRO 229 Cb -0.14 -2.65 -0.10 0.00 0.02 0.00 0.00 34.50 31.63 1u1d s PRO 229 CO 0.11 0.21 1.14 1.21 -0.33 0.00 0.00 177.00 179.34 1u1d s ASN 230 N -1.76 7.16 0.18 2.53 3.84 -1.26 -4.97 114.94 120.65 1u1d s ASN 230 Ca 0.53 2.35 -0.09 0.00 0.21 0.00 0.00 52.86 55.85 1u1d s ASN 230 Cb -0.16 -2.63 0.07 0.00 -0.55 0.00 0.00 41.25 37.98 1u1d s ASN 230 CO 0.21 -0.22 1.65 0.00 -2.79 0.00 0.00 177.10 175.95 1u1d h ALA 231 N 3.71 0.82 -0.13 1.71 0.00 -1.99 -2.27 119.26 121.11 1u1d h ALA 231 Ca -0.47 -0.30 -0.06 0.00 0.00 0.00 0.00 54.91 54.08 1u1d h ALA 231 Cb 1.21 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.77 1u1d h ALA 231 CO 0.67 0.64 -0.16 1.49 0.00 0.00 0.00 179.25 181.88 1u1d h GLU 232 N 0.97 0.34 -0.06 0.00 4.81 -2.01 -3.04 114.58 115.59 1u1d h GLU 232 Ca 0.18 -0.19 -0.07 0.00 -0.13 0.00 0.00 59.36 59.15 1u1d h GLU 232 Cb 0.52 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.90 1u1d h GLU 232 CO 0.02 0.76 -0.28 1.79 -0.73 0.00 0.00 179.01 180.57 1u1d h THR 233 N -0.05 1.23 -0.62 0.32 1.35 -1.98 -2.74 112.91 110.41 1u1d h THR 233 Ca 0.02 -1.07 -0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1u1d h THR 233 Cb 0.71 1.50 -0.03 0.00 -1.73 0.00 0.00 68.15 68.60 1u1d h THR 233 CO 0.04 0.31 0.39 0.24 -0.25 0.00 0.00 175.52 176.25 1u1d h MET 234 N 0.10 0.84 -0.39 4.72 2.86 -1.39 -1.17 114.93 120.49 1u1d h MET 234 Ca 0.01 -0.07 -0.14 0.00 -2.06 0.00 0.00 59.70 57.44 1u1d h MET 234 Cb 0.55 -0.18 -0.01 0.00 0.06 0.00 0.00 31.60 32.02 1u1d h MET 234 CO 0.04 0.58 -0.33 0.87 1.06 0.00 0.00 176.91 179.14 1u1d h LYS 235 N 0.84 0.88 -0.43 1.72 6.56 -1.38 -1.31 116.57 123.46 1u1d h LYS 235 Ca 0.23 -0.43 -0.07 0.00 -1.06 0.00 0.00 60.65 59.31 1u1d h LYS 235 Cb -0.05 -0.00 -0.02 0.00 -0.57 0.00 0.00 32.23 31.59 1u1d h LYS 235 CO -0.04 1.07 -0.02 0.37 -2.06 0.00 0.00 179.45 178.77 1u1d h GLN 236 N 0.74 0.78 -0.37 3.15 4.15 -1.38 -1.29 115.11 120.87 1u1d h GLN 236 Ca 0.07 -0.26 -0.05 0.00 0.77 0.00 0.00 58.65 59.18 1u1d h GLN 236 Cb 0.90 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.51 1u1d h GLN 236 CO 0.08 0.86 0.03 1.15 -1.93 0.00 0.00 178.83 179.02 1u1d h THR 237 N 0.61 1.25 -0.57 2.39 2.02 -1.18 -0.88 112.91 116.55 1u1d h THR 237 Ca 0.12 -0.92 0.02 0.00 0.77 0.00 0.00 66.41 66.40 1u1d h THR 237 Cb 0.52 1.11 -0.03 0.00 -1.74 0.00 0.00 68.15 68.01 1u1d h THR 237 CO 0.03 0.31 0.36 -0.08 0.37 0.00 0.00 175.52 176.51 1u1d h GLU 238 N 0.47 0.71 -0.73 6.66 4.81 -1.20 -1.29 114.58 124.00 1u1d h GLU 238 Ca 0.11 -0.04 -0.05 0.00 -0.13 0.00 0.00 59.36 59.25 1u1d h GLU 238 Cb 0.41 -0.16 -0.03 0.00 0.63 0.00 0.00 28.75 29.60 1u1d h GLU 238 CO 0.01 0.47 0.26 0.77 -0.73 0.00 0.00 179.01 179.79 1u1d h SER 239 N 0.73 1.03 -0.43 1.04 0.02 -1.11 -1.26 113.55 113.57 1u1d h SER 239 Ca 0.22 -0.17 -0.02 0.00 -0.84 0.00 0.00 61.79 60.98 1u1d h SER 239 Cb -0.03 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.22 1u1d h SER 239 CO -0.07 0.94 0.21 -0.74 -1.14 0.00 0.00 176.83 176.02 1u1d h HIS 240 N 1.08 0.62 -0.20 3.45 2.76 -0.78 -2.35 115.15 119.73 1u1d h HIS 240 Ca 0.24 -0.03 -0.14 0.00 -2.20 0.00 0.00 60.37 58.24 1u1d h HIS 240 Cb 0.25 -0.19 -0.01 0.00 1.55 0.00 0.00 27.41 29.01 1u1d h HIS 240 CO 0.02 0.51 -0.48 0.00 -1.30 0.00 0.00 177.93 176.68 1u1d h ALA 241 N 1.05 0.80 -0.64 5.26 0.00 -1.10 -3.07 119.26 121.57 1u1d h ALA 241 Ca 0.15 -0.48 -0.07 0.00 0.00 0.00 0.00 54.91 54.51 1u1d h ALA 241 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1u1d h ALA 241 CO -0.02 0.67 0.14 0.28 0.00 0.00 0.00 179.25 180.32 1u1d h VAL 242 N 0.41 1.25 -0.53 0.00 2.07 -1.13 -2.31 116.25 116.01 1u1d h VAL 242 Ca 0.02 -0.94 -0.06 0.00 0.82 0.00 0.00 66.70 66.54 1u1d h VAL 242 Cb 1.00 0.61 -0.02 0.00 -1.52 0.00 0.00 31.29 31.35 1u1d h VAL 242 CO 0.09 0.36 0.09 0.11 0.02 0.00 0.00 177.57 178.24 1u1d h LYS 243 N 0.97 0.84 -0.22 1.57 1.57 -1.38 -2.76 116.57 117.16 1u1d h LYS 243 Ca 0.20 -0.19 -0.08 0.00 -1.87 0.00 0.00 60.65 58.71 1u1d h LYS 243 Cb 0.37 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 32.56 1u1d h LYS 243 CO 0.00 0.78 -0.19 0.82 -0.57 0.00 0.00 179.45 180.29 1u1d h ILE 244 N 0.80 1.32 -0.06 1.86 2.04 -1.41 -2.39 117.51 119.67 1u1d h ILE 244 Ca 0.17 -1.34 -0.06 0.00 1.00 0.00 0.00 64.86 64.63 1u1d h ILE 244 Cb 0.35 1.71 -0.01 0.00 -0.74 0.00 0.00 36.82 38.13 1u1d h ILE 244 CO 0.01 0.41 -0.22 1.62 0.00 0.00 0.00 178.15 179.97 1u1d h VAL 245 N 0.20 1.19 -0.07 1.67 3.04 -1.37 0.87 116.25 121.79 1u1d h VAL 245 Ca 0.04 -0.88 -0.07 0.00 -1.01 0.00 0.00 66.70 64.78 1u1d h VAL 245 Cb 0.74 1.38 0.00 0.00 -2.01 0.00 0.00 31.29 31.40 1u1d h VAL 245 CO 0.05 0.26 -0.22 0.58 -1.01 0.00 0.00 177.57 177.22 1u1d h VAL 246 N 0.10 1.43 -0.44 1.51 2.07 -1.50 -2.18 116.25 117.24 1u1d h VAL 246 Ca 0.02 -1.62 -0.01 0.00 0.82 0.00 0.00 66.70 65.91 1u1d h VAL 246 Cb 0.44 2.31 -0.02 0.00 -1.52 0.00 0.00 31.29 32.50 1u1d h VAL 246 CO 0.03 0.46 0.25 -0.08 0.02 0.00 0.00 177.57 178.24 1u1d h GLU 247 N -0.24 0.60 -0.37 1.57 4.57 -1.08 -1.30 114.58 118.32 1u1d h GLU 247 Ca -0.01 -0.05 -0.15 0.00 -1.18 0.00 0.00 59.36 57.97 1u1d h GLU 247 Cb 0.86 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.31 1u1d h GLU 247 CO 0.05 0.44 -0.34 0.00 -1.18 0.00 0.00 179.01 177.98 1u1d h ALA 248 N 1.67 0.54 -0.50 2.92 0.00 -0.86 -3.03 119.26 120.00 1u1d h ALA 248 Ca 0.16 -0.43 -0.00 0.00 0.00 0.00 0.00 54.91 54.64 1u1d h ALA 248 Cb 0.01 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 1u1d h ALA 248 CO -0.03 0.61 0.31 0.00 0.00 0.00 0.00 179.25 180.14 1u1d h ALA 249 N 0.77 1.60 -0.99 0.00 0.00 -0.73 -1.93 119.26 117.97 1u1d h ALA 249 Ca 0.06 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 54.94 1u1d h ALA 249 Cb 0.92 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.46 1u1d h ALA 249 CO 0.09 0.35 0.65 -0.09 0.00 0.00 0.00 179.25 180.25 1u1d h ARG 250 N 0.69 1.28 0.00 0.00 2.43 -1.15 -2.31 114.38 115.32 1u1d h ARG 250 Ca 0.18 -0.08 0.00 0.00 -0.81 0.00 0.00 59.98 59.28 1u1d h ARG 250 Cb -0.04 -0.29 0.00 0.00 -0.42 0.00 0.00 29.97 29.22 1u1d h ARG 250 CO -0.04 0.84 0.00 0.54 -1.51 0.00 0.00 179.97 179.81 1u1d n ARG 251 N -4.41 0.24 -0.07 0.20 1.74 -0.76 -3.49 116.66 110.12 1u1d n ARG 251 Ca 0.12 0.30 0.08 0.00 -0.77 0.00 0.00 57.85 57.58 1u1d n ARG 251 Cb 0.04 -1.84 0.10 0.00 -1.02 0.00 0.00 32.46 29.74 1u1d n ARG 251 CO 0.00 0.00 0.00 1.28 -1.52 0.00 0.00 177.63 177.39 1u1d n LEU 252 N -2.28 2.54 0.00 0.55 4.77 -0.90 -5.06 117.00 116.62 1u1d n LEU 252 Ca 0.04 -1.28 0.13 0.00 -0.03 0.00 0.00 56.01 54.87 1u1d n LEU 252 Cb 0.36 -0.09 0.79 0.00 -2.33 0.00 0.00 43.42 42.15 1u1d n LEU 252 CO 0.26 0.52 0.96 0.18 -1.33 0.00 0.00 177.39 177.99