#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2pl3 s MET 46 N 0.00 2.13 -0.21 1.43 -2.45 -1.26 -5.09 119.30 113.85 2pl3 s MET 46 Ca 0.00 -0.81 0.05 0.00 -1.25 0.00 0.00 55.69 53.68 2pl3 s MET 46 Cb 0.00 -1.90 -0.21 0.00 1.25 0.00 0.00 34.83 33.97 2pl3 s MET 46 CO 0.00 0.40 -0.01 1.04 1.05 0.00 0.00 175.02 177.50 2pl3 n GLN 47 N 2.81 0.68 -0.01 4.11 3.00 -1.26 -2.52 117.38 124.18 2pl3 n GLN 47 Ca -0.17 0.14 -0.16 0.00 -0.01 0.00 0.00 57.00 56.80 2pl3 n GLN 47 Cb 0.52 -1.57 -0.05 0.00 0.00 0.00 0.00 30.24 29.14 2pl3 n GLN 47 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 2pl3 h VAL 48 N 0.01 1.29 -0.03 5.09 2.07 -2.00 -2.96 116.25 119.72 2pl3 h VAL 48 Ca -0.53 -1.99 -0.11 0.00 0.82 0.00 0.00 66.70 64.89 2pl3 h VAL 48 Cb 2.01 1.99 -0.01 0.00 -1.52 0.00 0.00 31.29 33.75 2pl3 h VAL 48 CO -0.02 0.63 -0.48 -0.08 0.02 0.00 0.00 177.57 177.64 2pl3 h GLU 49 N 0.51 0.07 -0.57 1.57 4.57 -1.99 -2.16 114.58 116.57 2pl3 h GLU 49 Ca -0.05 -0.04 -0.08 0.00 -1.18 0.00 0.00 59.36 58.02 2pl3 h GLU 49 Cb 1.39 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.96 2pl3 h GLU 49 CO 0.16 0.53 0.06 -0.09 -1.18 0.00 0.00 179.01 178.49 2pl3 h ARG 50 N 0.06 0.97 0.06 1.92 2.43 -1.42 0.14 114.38 118.54 2pl3 h ARG 50 Ca 0.00 -0.28 -0.00 0.00 -0.81 0.00 0.00 59.98 58.89 2pl3 h ARG 50 Cb 0.86 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 30.31 2pl3 h ARG 50 CO 0.07 0.94 -0.03 1.49 -1.51 0.00 0.00 179.97 180.93 2pl3 h GLU 51 N 0.87 -0.08 -0.49 0.20 4.57 -1.30 -1.18 114.58 117.18 2pl3 h GLU 51 Ca 0.17 0.01 0.10 0.00 -1.18 0.00 0.00 59.36 58.45 2pl3 h GLU 51 Cb 0.46 0.02 -0.08 0.00 -0.16 0.00 0.00 28.75 28.99 2pl3 h GLU 51 CO 0.02 0.06 -0.01 0.77 -1.18 0.00 0.00 179.01 178.68 2pl3 h SER 52 N -0.20 -0.22 -0.42 1.04 0.02 -1.33 -1.74 113.55 110.70 2pl3 h SER 52 Ca -0.01 0.12 0.03 0.00 -0.84 0.00 0.00 61.79 61.09 2pl3 h SER 52 Cb 0.17 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.89 2pl3 h SER 52 CO 0.01 -0.08 0.22 0.40 -1.14 0.00 0.00 176.83 176.25 2pl3 h ILE 53 N 0.11 0.99 -0.85 3.27 2.04 -0.92 -2.15 117.51 120.00 2pl3 h ILE 53 Ca 0.25 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 66.01 2pl3 h ILE 53 Cb 0.37 0.51 -0.06 0.00 -0.74 0.00 0.00 36.82 36.90 2pl3 h ILE 53 CO -0.41 0.08 0.53 -1.28 0.00 0.00 0.00 178.15 177.07 2pl3 h SER 54 N 0.45 0.84 -0.16 1.72 0.87 -0.62 -0.99 113.55 115.67 2pl3 h SER 54 Ca 0.18 0.01 -0.10 0.00 -1.23 0.00 0.00 61.79 60.65 2pl3 h SER 54 Cb 0.06 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 61.84 2pl3 h SER 54 CO -0.11 0.55 -0.22 0.03 -0.53 0.00 0.00 176.83 176.55 2pl3 h ARG 55 N 0.98 0.60 -0.23 2.24 3.08 -1.07 -0.66 114.38 119.32 2pl3 h ARG 55 Ca 0.37 -0.22 -0.03 0.00 0.07 0.00 0.00 59.98 60.17 2pl3 h ARG 55 Cb 0.14 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.15 2pl3 h ARG 55 CO -0.16 0.78 0.04 -0.07 -1.07 0.00 0.00 179.97 179.49 2pl3 h LEU 56 N 0.53 0.36 -0.96 3.04 3.38 -0.71 -3.02 115.31 117.93 2pl3 h LEU 56 Ca 0.08 -0.25 -0.08 0.00 0.09 0.00 0.00 57.88 57.72 2pl3 h LEU 56 Cb 0.67 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.31 2pl3 h LEU 56 CO 0.05 0.51 -0.06 0.24 0.09 0.00 0.00 178.44 179.27 2pl3 h MET 57 N 0.18 0.69 0.00 1.13 2.86 -1.06 -0.74 114.93 118.00 2pl3 h MET 57 Ca 0.07 -0.20 -0.00 0.00 -2.06 0.00 0.00 59.70 57.51 2pl3 h MET 57 Cb 0.31 -0.07 -0.00 0.00 0.06 0.00 0.00 31.60 31.89 2pl3 h MET 57 CO 0.00 0.75 -0.01 1.96 1.06 0.00 0.00 176.91 180.67 2pl3 h GLN 58 N 0.64 0.00 -0.00 1.72 4.20 -1.06 -2.37 115.11 118.23 2pl3 h GLN 58 Ca 0.12 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.83 2pl3 h GLN 58 Cb 0.49 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.27 2pl3 h GLN 58 CO 0.03 0.01 -0.24 0.09 -0.67 0.00 0.00 178.83 178.04 2pl3 n ASN 59 N -4.04 0.64 -0.23 1.46 3.02 -0.30 -4.03 115.26 111.78 2pl3 n ASN 59 Ca -0.03 -0.53 -0.08 0.00 -0.03 0.00 0.00 54.58 53.92 2pl3 n ASN 59 Cb 0.09 0.04 0.03 0.00 -0.61 0.00 0.00 39.78 39.34 2pl3 n ASN 59 CO 0.00 0.00 0.00 1.88 -2.62 0.00 0.00 177.26 176.52 2pl3 h TYR 60 N 0.62 1.07 -0.94 3.10 -1.99 -1.19 -2.98 116.97 114.65 2pl3 h TYR 60 Ca 0.00 -0.13 0.01 0.00 2.00 0.00 0.00 58.73 60.61 2pl3 h TYR 60 Cb 0.46 -0.30 -0.05 0.00 2.00 0.00 0.00 36.73 38.84 2pl3 h TYR 60 CO 0.00 0.89 0.62 0.93 -0.00 0.00 0.00 178.16 180.60 2pl3 h GLU 61 N 0.93 1.25 0.00 4.88 3.07 -1.73 -2.55 114.58 120.43 2pl3 h GLU 61 Ca 0.20 -0.08 0.00 0.00 -0.50 0.00 0.00 59.36 58.98 2pl3 h GLU 61 Cb 0.36 -0.28 0.00 0.00 -0.84 0.00 0.00 28.75 27.99 2pl3 h GLU 61 CO 0.00 0.83 0.00 1.63 -1.40 0.00 0.00 179.01 180.07 2pl3 n LYS 62 N -4.39 0.99 -1.68 2.33 5.02 -1.13 -4.90 118.16 114.40 2pl3 n LYS 62 Ca 0.11 0.00 -0.43 0.00 -2.02 0.00 0.00 58.31 55.97 2pl3 n LYS 62 Cb 0.02 -1.44 -0.03 0.00 -0.02 0.00 0.00 35.03 33.56 2pl3 n LYS 62 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 2pl3 n ILE 63 N -0.94 0.43 -3.82 -0.18 5.41 -0.96 -4.97 119.36 114.32 2pl3 n ILE 63 Ca 0.21 -0.08 -0.27 0.00 1.00 0.00 0.00 62.75 63.61 2pl3 n ILE 63 Cb 0.10 -2.13 -0.17 0.00 -0.71 0.00 0.00 39.64 36.73 2pl3 n ILE 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 2pl3 s ASN 64 N 3.02 2.79 0.57 4.38 2.47 -1.26 -5.02 114.94 121.89 2pl3 s ASN 64 Ca 0.83 -0.69 0.27 0.00 0.42 0.00 0.00 52.86 53.69 2pl3 s ASN 64 Cb -0.49 -0.75 1.64 0.00 -1.45 0.00 0.00 41.25 40.20 2pl3 s ASN 64 CO 0.39 -0.24 2.17 -0.37 -3.72 0.00 0.00 177.10 175.33 2pl3 h VAL 65 N 6.45 0.61 0.00 -5.21 -1.51 -1.93 0.39 116.25 115.05 2pl3 h VAL 65 Ca -0.20 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.27 2pl3 h VAL 65 Cb 1.11 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 31.20 2pl3 h VAL 65 CO 0.36 0.00 0.00 0.59 -1.23 0.00 0.00 177.57 177.29 2pl3 n ASN 66 N -3.99 0.07 -0.82 4.19 3.02 -1.26 -2.32 115.26 114.14 2pl3 n ASN 66 Ca -0.01 0.51 0.07 0.00 -0.03 0.00 0.00 54.58 55.13 2pl3 n ASN 66 Cb 0.19 -0.53 0.20 0.00 -0.61 0.00 0.00 39.78 39.04 2pl3 n ASN 66 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 2pl3 n GLU 67 N -1.57 2.92 -3.87 3.52 1.02 0.13 -4.97 120.64 117.82 2pl3 n GLU 67 Ca 0.04 -2.28 -0.36 0.00 -0.02 0.00 0.00 57.16 54.54 2pl3 n GLU 67 Cb 0.21 -1.42 -0.14 0.00 -0.02 0.00 0.00 31.44 30.08 2pl3 n GLU 67 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 2pl3 s ILE 68 N -1.28 3.54 0.00 -3.67 1.01 -0.98 -4.88 121.20 114.94 2pl3 s ILE 68 Ca 0.31 -0.57 0.00 0.00 0.00 0.00 0.00 60.65 60.39 2pl3 s ILE 68 Cb 0.18 -2.69 0.00 0.00 0.01 0.00 0.00 42.46 39.96 2pl3 s ILE 68 CO 0.18 0.31 0.00 0.35 0.00 0.00 0.00 174.94 175.78 2pl3 n THR 69 N 4.81 0.00 -4.35 2.92 -2.24 -1.26 -5.00 114.28 109.16 2pl3 n THR 69 Ca -0.17 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.35 2pl3 n THR 69 Cb 0.50 -0.17 -0.10 0.00 -2.10 0.00 0.00 70.33 68.45 2pl3 n THR 69 CO 0.00 0.00 0.00 -0.13 -0.57 0.00 0.00 175.07 174.37 2pl3 s ARG 70 N -1.78 1.85 0.31 -0.78 3.00 -1.26 -1.52 118.95 118.76 2pl3 s ARG 70 Ca 0.00 -1.41 0.00 0.00 0.00 0.00 0.00 55.73 54.33 2pl3 s ARG 70 Cb 0.00 -2.02 0.52 0.00 0.00 0.00 0.00 34.95 33.45 2pl3 s ARG 70 CO 0.00 0.41 1.93 0.74 0.00 0.00 0.00 175.30 178.38 2pl3 h PHE 71 N 2.92 1.02 0.00 -0.53 0.04 -1.45 -1.53 116.94 117.41 2pl3 h PHE 71 Ca -0.46 0.03 0.00 0.00 2.80 0.00 0.00 57.97 60.34 2pl3 h PHE 71 Cb 1.21 -0.34 0.00 0.00 2.20 0.00 0.00 35.95 39.02 2pl3 h PHE 71 CO 0.68 0.57 0.00 -1.13 -0.60 0.00 0.00 178.31 177.82 2pl3 n SER 72 N -4.46 0.53 0.24 2.17 3.41 -1.26 -1.57 113.62 112.67 2pl3 n SER 72 Ca 0.12 0.63 0.11 0.00 -0.26 0.00 0.00 58.87 59.47 2pl3 n SER 72 Cb 0.15 -0.74 0.54 0.00 -0.26 0.00 0.00 64.21 63.90 2pl3 n SER 72 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 2pl3 h ASP 73 N 0.00 0.00 -4.28 4.04 3.32 -1.65 -3.43 116.42 114.42 2pl3 h ASP 73 Ca 0.00 0.00 -0.49 0.00 0.02 0.00 0.00 57.03 56.56 2pl3 h ASP 73 Cb 0.33 0.00 0.04 0.00 0.22 0.00 0.00 39.33 39.92 2pl3 h ASP 73 CO 0.00 0.19 0.40 -0.36 -1.72 0.00 0.00 179.24 177.75 2pl3 s PHE 74 N -3.79 3.53 -0.64 4.55 0.08 -0.61 -4.97 117.98 116.13 2pl3 s PHE 74 Ca -0.00 1.38 -0.27 0.00 0.12 0.00 0.00 56.93 58.16 2pl3 s PHE 74 Cb 0.11 -2.76 0.04 0.00 -0.57 0.00 0.00 43.02 39.83 2pl3 s PHE 74 CO 0.62 -0.55 1.16 -1.25 -0.10 0.00 0.00 175.22 175.10 2pl3 s PRO 75 N -4.63 3.33 0.09 0.24 0.05 -1.26 -5.00 135.00 127.82 2pl3 s PRO 75 Ca 0.57 -0.10 0.07 0.00 0.05 0.00 0.00 61.00 61.58 2pl3 s PRO 75 Cb -0.11 -4.10 -0.03 0.00 0.05 0.00 0.00 34.50 30.31 2pl3 s PRO 75 CO 0.43 -1.83 -0.18 -0.51 0.05 0.00 0.00 177.00 174.97 2pl3 s LEU 76 N 4.99 2.29 0.78 -3.56 1.43 -1.26 -4.98 118.68 118.38 2pl3 s LEU 76 Ca 0.36 -0.66 -0.14 0.00 -1.03 0.00 0.00 54.13 52.66 2pl3 s LEU 76 Cb -0.09 -0.70 0.04 0.00 0.03 0.00 0.00 46.19 45.47 2pl3 s LEU 76 CO 0.19 -0.01 1.03 -1.54 0.23 0.00 0.00 176.35 176.25 2pl3 n SER 77 N 1.16 0.51 -0.00 2.29 3.41 -1.26 -4.81 113.62 114.91 2pl3 n SER 77 Ca -0.20 0.60 0.02 0.00 -0.26 0.00 0.00 58.87 59.03 2pl3 n SER 77 Cb 0.54 -1.44 0.36 0.00 -0.26 0.00 0.00 64.21 63.41 2pl3 n SER 77 CO 0.00 0.00 0.00 0.11 -0.16 0.00 0.00 175.04 174.99 2pl3 h LYS 78 N -0.68 0.54 -0.55 4.33 1.57 -2.00 -1.82 116.57 117.96 2pl3 h LYS 78 Ca -0.46 -0.07 -0.11 0.00 -1.87 0.00 0.00 60.65 58.14 2pl3 h LYS 78 Cb 1.31 -0.10 -0.02 0.00 0.08 0.00 0.00 32.23 33.50 2pl3 h LYS 78 CO 0.45 0.46 -0.09 0.87 -0.57 0.00 0.00 179.45 180.57 2pl3 h LYS 79 N 0.54 1.02 -0.11 3.15 1.57 -1.91 0.60 116.57 121.44 2pl3 h LYS 79 Ca 0.13 -0.36 -0.05 0.00 -1.87 0.00 0.00 60.65 58.50 2pl3 h LYS 79 Cb 0.13 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.36 2pl3 h LYS 79 CO -0.01 1.05 -0.11 1.15 -0.57 0.00 0.00 179.45 180.96 2pl3 h THR 80 N 0.92 1.36 -0.84 -0.16 2.02 -1.79 -2.54 112.91 111.88 2pl3 h THR 80 Ca 0.15 -1.27 0.05 0.00 0.77 0.00 0.00 66.41 66.10 2pl3 h THR 80 Cb 0.65 1.96 -0.06 0.00 -1.74 0.00 0.00 68.15 68.96 2pl3 h THR 80 CO 0.04 0.36 0.52 -0.07 0.37 0.00 0.00 175.52 176.75 2pl3 h LEU 81 N -0.14 0.84 -0.35 2.58 3.38 -1.29 -0.90 115.31 119.43 2pl3 h LEU 81 Ca 0.02 0.01 0.01 0.00 0.09 0.00 0.00 57.88 58.00 2pl3 h LEU 81 Cb 0.63 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2pl3 h LEU 81 CO 0.03 0.56 0.22 0.50 0.09 0.00 0.00 178.44 179.84 2pl3 h LYS 82 N 0.99 0.45 -0.66 1.13 3.64 -0.88 -0.30 116.57 120.94 2pl3 h LYS 82 Ca 0.35 -0.03 -0.05 0.00 -1.27 0.00 0.00 60.65 59.66 2pl3 h LYS 82 Cb 0.10 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.79 2pl3 h LYS 82 CO -0.15 0.29 0.21 0.78 -2.27 0.00 0.00 179.45 178.32 2pl3 h GLY 83 N 0.46 1.07 0.66 5.01 0.00 -1.00 0.11 103.07 109.38 2pl3 h GLY 83 Ca 0.13 -0.60 -0.02 0.00 0.00 0.00 0.00 47.33 46.84 2pl3 h GLY 83 CO -0.04 0.57 -0.02 1.41 0.00 0.00 0.00 176.54 178.46 2pl3 h LEU 84 N 0.97 0.12 -0.64 3.11 3.38 -1.09 -2.25 115.31 118.91 2pl3 h LEU 84 Ca 0.22 -0.40 0.03 0.00 0.09 0.00 0.00 57.88 57.81 2pl3 h LEU 84 Cb 0.26 -0.03 -0.04 0.00 0.09 0.00 0.00 40.66 40.94 2pl3 h LEU 84 CO -0.01 0.49 0.40 -0.61 0.09 0.00 0.00 178.44 178.80 2pl3 h GLN 85 N -0.25 0.77 0.00 1.13 4.15 -0.87 0.62 115.11 120.66 2pl3 h GLN 85 Ca 0.01 -0.05 -0.02 0.00 0.77 0.00 0.00 58.65 59.36 2pl3 h GLN 85 Cb 0.45 -0.17 -0.00 0.00 0.21 0.00 0.00 27.48 27.96 2pl3 h GLN 85 CO 0.01 0.51 -0.12 0.93 -1.93 0.00 0.00 178.83 178.23 2pl3 h GLU 86 N 0.79 0.00 -0.64 1.69 5.08 -0.81 -2.23 114.58 118.46 2pl3 h GLU 86 Ca 0.25 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.61 2pl3 h GLU 86 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2pl3 h GLU 86 CO -0.10 0.12 0.00 0.00 -1.00 0.00 0.00 179.01 178.03 2pl3 n ALA 87 N -2.25 3.27 -3.14 3.43 0.00 -0.73 -4.95 120.51 116.14 2pl3 n ALA 87 Ca -0.02 -1.42 -0.21 0.00 0.00 0.00 0.00 53.44 51.79 2pl3 n ALA 87 Cb 0.25 -1.06 0.05 0.00 0.00 0.00 0.00 19.45 18.69 2pl3 n ALA 87 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 2pl3 n GLN 88 N 0.75 -5.48 -3.97 0.00 1.13 -0.84 -5.00 117.38 103.98 2pl3 n GLN 88 Ca 0.22 0.82 -0.34 0.00 -1.94 0.00 0.00 57.00 55.76 2pl3 n GLN 88 Cb 0.88 -5.58 -0.14 0.00 0.11 0.00 0.00 30.24 25.50 2pl3 n GLN 88 CO 0.00 0.00 0.00 0.71 -1.44 0.00 0.00 177.06 176.33 2pl3 s TYR 89 N -3.19 3.16 0.00 1.08 1.51 0.13 -4.94 117.35 115.11 2pl3 s TYR 89 Ca 0.37 -1.81 0.00 0.00 -1.01 0.00 0.00 57.07 54.62 2pl3 s TYR 89 Cb -0.16 -2.05 0.00 0.00 -0.11 0.00 0.00 41.96 39.64 2pl3 s TYR 89 CO 0.45 -0.79 0.00 -2.13 -1.11 0.00 0.00 175.55 171.98 2pl3 n ARG 90 N 4.61 0.00 -3.71 -0.62 0.63 -1.26 -3.84 116.66 112.47 2pl3 n ARG 90 Ca -0.15 0.00 -0.36 0.00 -0.92 0.00 0.00 57.85 56.42 2pl3 n ARG 90 Cb 0.45 -0.47 -0.06 0.00 0.45 0.00 0.00 32.46 32.83 2pl3 n ARG 90 CO 0.00 0.00 0.00 -0.51 -2.51 0.00 0.00 177.63 174.61 2pl3 s LEU 91 N -5.18 4.41 0.20 6.15 1.43 -1.26 -1.15 118.68 123.28 2pl3 s LEU 91 Ca 0.00 0.67 -0.15 0.00 -1.03 0.00 0.00 54.13 53.62 2pl3 s LEU 91 Cb 0.00 -2.48 -0.08 0.00 0.03 0.00 0.00 46.19 43.66 2pl3 s LEU 91 CO 0.00 0.32 0.62 0.68 0.23 0.00 0.00 176.35 178.20 2pl3 s VAL 92 N -1.16 4.76 0.82 -1.59 -7.23 -0.57 -4.81 120.40 110.63 2pl3 s VAL 92 Ca 0.23 0.92 -0.12 0.00 -1.81 0.00 0.00 61.98 61.20 2pl3 s VAL 92 Cb -0.14 -3.74 0.09 0.00 0.56 0.00 0.00 36.38 33.15 2pl3 s VAL 92 CO 0.12 0.14 1.12 0.42 -0.31 0.00 0.00 175.10 176.58 2pl3 s THR 93 N -1.59 2.62 0.21 5.32 -4.23 -1.26 -4.82 115.64 111.88 2pl3 s THR 93 Ca 0.43 0.20 -0.09 0.00 -1.18 0.00 0.00 61.69 61.04 2pl3 s THR 93 Cb -0.14 -3.02 0.14 0.00 1.34 0.00 0.00 72.50 70.82 2pl3 s THR 93 CO 0.20 -0.26 1.83 -0.08 -0.54 0.00 0.00 174.62 175.76 2pl3 h GLU 94 N -1.16 0.74 -0.13 3.99 4.57 -1.99 0.12 114.58 120.73 2pl3 h GLU 94 Ca -0.48 -0.04 -0.14 0.00 -1.18 0.00 0.00 59.36 57.52 2pl3 h GLU 94 Cb 1.30 -0.17 -0.01 0.00 -0.16 0.00 0.00 28.75 29.71 2pl3 h GLU 94 CO 0.62 0.49 -0.52 0.97 -1.18 0.00 0.00 179.01 179.39 2pl3 h ILE 95 N 0.76 1.34 -0.04 2.32 6.09 -1.93 -0.90 117.51 125.15 2pl3 h ILE 95 Ca 0.29 -1.78 -0.00 0.00 -1.37 0.00 0.00 64.86 62.00 2pl3 h ILE 95 Cb 0.12 1.82 -0.00 0.00 0.47 0.00 0.00 36.82 39.22 2pl3 h ILE 95 CO -0.15 0.54 0.02 1.56 -3.07 0.00 0.00 178.15 177.05 2pl3 h GLN 96 N 0.28 0.06 -0.62 2.19 4.20 -1.75 -1.78 115.11 117.69 2pl3 h GLN 96 Ca 0.01 -0.01 0.11 0.00 0.06 0.00 0.00 58.65 58.82 2pl3 h GLN 96 Cb 1.01 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 28.70 2pl3 h GLN 96 CO 0.09 0.18 0.19 -0.22 -0.67 0.00 0.00 178.83 178.40 2pl3 h LYS 97 N -0.07 0.33 0.00 1.46 3.64 -0.64 -1.61 116.57 119.67 2pl3 h LYS 97 Ca 0.01 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.37 2pl3 h LYS 97 Cb 0.14 -0.07 0.00 0.00 -0.41 0.00 0.00 32.23 31.89 2pl3 h LYS 97 CO -0.00 0.22 -0.51 1.04 -2.27 0.00 0.00 179.45 177.93 2pl3 n GLN 98 N -5.06 0.21 -0.01 1.90 1.13 -0.37 -4.28 117.38 110.89 2pl3 n GLN 98 Ca 0.10 0.08 0.01 0.00 -1.94 0.00 0.00 57.00 55.24 2pl3 n GLN 98 Cb 0.32 -1.65 -0.05 0.00 0.11 0.00 0.00 30.24 28.97 2pl3 n GLN 98 CO 0.00 0.00 0.00 0.25 -1.44 0.00 0.00 177.06 175.87 2pl3 n THR 99 N -1.97 0.18 -0.16 5.09 -2.24 -0.68 -4.71 114.28 109.79 2pl3 n THR 99 Ca 0.04 -0.20 -0.10 0.00 -2.27 0.00 0.00 64.05 61.52 2pl3 n THR 99 Cb 0.41 -0.14 -0.00 0.00 -2.10 0.00 0.00 70.33 68.50 2pl3 n THR 99 CO 0.00 0.00 0.00 0.40 -0.57 0.00 0.00 175.07 174.90 2pl3 h ILE 100 N 0.00 1.27 -0.17 2.28 2.04 -1.48 -2.39 117.51 119.05 2pl3 h ILE 100 Ca -0.07 -1.14 0.00 0.00 1.00 0.00 0.00 64.86 64.65 2pl3 h ILE 100 Cb 0.76 1.05 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2pl3 h ILE 100 CO 0.00 0.40 0.11 1.23 0.00 0.00 0.00 178.15 179.89 2pl3 h GLY 101 N 0.72 0.24 1.04 5.37 0.00 -1.80 0.18 103.07 108.82 2pl3 h GLY 101 Ca 0.13 -0.09 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 2pl3 h GLY 101 CO 0.03 0.09 0.56 1.41 0.00 0.00 0.00 176.54 178.63 2pl3 h LEU 102 N 0.23 1.12 -0.48 3.11 3.38 -1.82 -1.92 115.31 118.93 2pl3 h LEU 102 Ca 0.06 -0.07 -0.10 0.00 0.09 0.00 0.00 57.88 57.87 2pl3 h LEU 102 Cb -0.02 -0.28 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 2pl3 h LEU 102 CO -0.01 0.86 -0.08 0.00 0.09 0.00 0.00 178.44 179.30 2pl3 h ALA 103 N 1.33 0.65 -1.01 1.53 0.00 -1.05 -2.26 119.26 118.46 2pl3 h ALA 103 Ca 0.33 -0.32 0.10 0.00 0.00 0.00 0.00 54.91 55.02 2pl3 h ALA 103 Cb -0.05 -0.17 -0.08 0.00 0.00 0.00 0.00 17.79 17.49 2pl3 h ALA 103 CO -0.06 0.53 0.64 -0.07 0.00 0.00 0.00 179.25 180.29 2pl3 h LEU 104 N 0.75 0.97 0.00 0.00 3.38 -0.65 -0.80 115.31 118.97 2pl3 h LEU 104 Ca 0.13 0.03 0.00 0.00 0.09 0.00 0.00 57.88 58.13 2pl3 h LEU 104 Cb 0.62 -0.17 0.00 0.00 0.09 0.00 0.00 40.66 41.20 2pl3 h LEU 104 CO 0.04 0.56 0.00 0.00 0.09 0.00 0.00 178.44 179.13 2pl3 n GLN 105 N -4.57 0.51 -0.08 1.13 6.02 -0.75 -4.86 117.38 114.77 2pl3 n GLN 105 Ca 0.18 0.04 0.00 0.00 -0.01 0.00 0.00 57.00 57.21 2pl3 n GLN 105 Cb 0.29 -1.50 0.00 0.00 1.02 0.00 0.00 30.24 30.05 2pl3 n GLN 105 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 2pl3 n GLY 106 N 0.50 0.83 3.85 1.08 0.00 -0.30 -5.05 105.19 106.09 2pl3 n GLY 106 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2pl3 n GLY 106 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2pl3 s LYS 107 N -0.92 3.96 0.13 1.61 1.02 -0.87 -4.87 119.74 119.80 2pl3 s LYS 107 Ca 0.00 0.65 -0.30 0.00 0.02 0.00 0.00 55.97 56.34 2pl3 s LYS 107 Cb 0.00 -2.40 -0.07 0.00 -0.52 0.00 0.00 37.83 34.84 2pl3 s LYS 107 CO 0.00 0.10 1.14 -0.51 -0.92 0.00 0.00 175.35 175.15 2pl3 s ASP 108 N -2.47 7.19 -0.06 2.83 1.11 -1.26 -4.48 116.67 119.53 2pl3 s ASP 108 Ca 0.54 2.06 0.01 0.00 0.18 0.00 0.00 52.55 55.34 2pl3 s ASP 108 Cb -0.10 -2.60 0.02 0.00 1.07 0.00 0.00 42.92 41.31 2pl3 s ASP 108 CO 0.20 -0.32 -0.06 -0.69 1.18 0.00 0.00 175.17 175.49 2pl3 s VAL 109 N 0.23 0.71 -0.42 -1.27 1.01 -1.03 -0.78 120.40 118.86 2pl3 s VAL 109 Ca 0.53 -0.19 -0.16 0.00 0.00 0.00 0.00 61.98 62.16 2pl3 s VAL 109 Cb -0.29 -0.73 0.02 0.00 0.00 0.00 0.00 36.38 35.38 2pl3 s VAL 109 CO 0.33 0.28 0.35 -0.22 0.00 0.00 0.00 175.10 175.84 2pl3 s LEU 110 N 1.11 5.05 -0.23 3.92 0.20 -0.11 -0.17 118.68 128.46 2pl3 s LEU 110 Ca -0.07 -0.85 -0.08 0.00 0.69 0.00 0.00 54.13 53.82 2pl3 s LEU 110 Cb -0.14 -2.24 -0.04 0.00 -0.43 0.00 0.00 46.19 43.34 2pl3 s LEU 110 CO -0.01 -0.51 0.09 -0.83 -0.29 0.00 0.00 176.35 174.81 2pl3 s GLY 111 N 1.77 1.86 -0.16 7.98 0.00 0.97 -0.85 107.32 118.89 2pl3 s GLY 111 Ca 0.07 -0.97 0.01 0.00 0.00 0.00 0.00 44.72 43.84 2pl3 s GLY 111 CO 0.11 0.37 -0.20 0.00 0.00 0.00 0.00 173.10 173.38 2pl3 s ALA 112 N 1.15 2.33 -0.25 3.20 0.00 0.07 -0.59 121.76 127.67 2pl3 s ALA 112 Ca 0.05 -1.13 -0.26 0.00 0.00 0.00 0.00 51.96 50.62 2pl3 s ALA 112 Cb -0.14 -1.12 0.09 0.00 0.00 0.00 0.00 23.12 21.95 2pl3 s ALA 112 CO 0.04 -0.16 0.81 0.00 0.00 0.00 0.00 175.76 176.46 2pl3 s ALA 113 N 1.01 -1.84 0.98 0.00 0.00 -0.51 -1.00 121.76 120.40 2pl3 s ALA 113 Ca -0.02 1.92 -0.11 0.00 0.00 0.00 0.00 51.96 53.75 2pl3 s ALA 113 Cb -0.15 -1.16 0.18 0.00 0.00 0.00 0.00 23.12 21.99 2pl3 s ALA 113 CO -0.06 -0.31 1.06 0.36 0.00 0.00 0.00 175.76 176.82 2pl3 n LYS 114 N 2.37 -0.93 -1.65 0.00 2.85 -1.20 -3.91 118.16 115.69 2pl3 n LYS 114 Ca -0.14 -0.21 -0.45 0.00 -1.05 0.00 0.00 58.31 56.46 2pl3 n LYS 114 Cb 0.55 -2.29 -0.03 0.00 -0.65 0.00 0.00 35.03 32.61 2pl3 n LYS 114 CO 0.00 0.00 0.00 2.41 -0.05 0.00 0.00 177.40 179.76 2pl3 n THR 115 N -4.40 1.12 -0.03 0.58 -1.04 -1.26 -1.77 114.28 107.48 2pl3 n THR 115 Ca 0.10 -0.28 0.00 0.00 -2.04 0.00 0.00 64.05 61.82 2pl3 n THR 115 Cb 0.53 -1.33 0.00 0.00 -1.82 0.00 0.00 70.33 67.70 2pl3 n THR 115 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 2pl3 n GLY 116 N 1.92 0.39 0.21 3.41 0.00 -1.26 -4.98 105.19 104.88 2pl3 n GLY 116 Ca 0.11 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.24 2pl3 n GLY 116 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 2pl3 h SER 117 N 0.00 0.00 0.00 1.61 0.02 -1.66 -3.47 113.55 110.05 2pl3 h SER 117 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 2pl3 h SER 117 Cb 0.00 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.54 2pl3 h SER 117 CO 0.00 0.18 0.00 0.61 -1.14 0.00 0.00 176.83 176.48 2pl3 n GLY 118 N 0.60 1.58 0.23 -3.77 0.00 -1.26 -4.57 105.19 98.00 2pl3 n GLY 118 Ca 0.02 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.08 2pl3 n GLY 118 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2pl3 h LYS 119 N 0.00 0.04 0.04 1.61 1.57 -1.91 -3.17 116.57 114.75 2pl3 h LYS 119 Ca 0.00 -0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2pl3 h LYS 119 Cb 0.00 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 2pl3 h LYS 119 CO 0.00 0.21 -0.05 1.15 -0.57 0.00 0.00 179.45 180.19 2pl3 h THR 120 N 0.04 0.87 0.00 -0.16 2.02 -2.01 -2.10 112.91 111.58 2pl3 h THR 120 Ca 0.01 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 2pl3 h THR 120 Cb 0.33 0.87 -0.01 0.00 -1.74 0.00 0.00 68.15 67.61 2pl3 h THR 120 CO 0.02 0.00 -0.26 -0.07 0.37 0.00 0.00 175.52 175.59 2pl3 h LEU 121 N -0.11 0.00 -1.35 2.58 3.38 -1.98 -0.28 115.31 117.54 2pl3 h LEU 121 Ca 0.01 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.04 2pl3 h LEU 121 Cb 0.12 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 2pl3 h LEU 121 CO -0.02 0.26 0.49 0.00 0.09 0.00 0.00 178.44 179.25 2pl3 h ALA 122 N 1.74 1.68 0.00 1.53 0.00 -1.35 -1.88 119.26 120.98 2pl3 h ALA 122 Ca -0.00 -0.02 -0.28 0.00 0.00 0.00 0.00 54.91 54.61 2pl3 h ALA 122 Cb 0.78 -0.20 -0.05 0.00 0.00 0.00 0.00 17.79 18.31 2pl3 h ALA 122 CO 0.03 0.20 -2.09 1.97 0.00 0.00 0.00 179.25 179.36 2pl3 n PHE 123 N -4.48 0.30 0.06 0.00 -1.74 -1.09 -4.47 117.46 106.04 2pl3 n PHE 123 Ca 0.11 0.10 -0.06 0.00 -0.56 0.00 0.00 57.45 57.04 2pl3 n PHE 123 Cb 0.23 -0.98 0.11 0.00 1.52 0.00 0.00 39.48 40.36 2pl3 n PHE 123 CO 0.00 0.00 0.00 -0.07 -0.56 0.00 0.00 176.76 176.13 2pl3 h LEU 124 N 0.00 0.39 0.11 5.98 3.38 -0.94 -1.37 115.31 122.86 2pl3 h LEU 124 Ca -0.38 -0.21 -0.01 0.00 0.09 0.00 0.00 57.88 57.37 2pl3 h LEU 124 Cb 1.95 -0.11 0.00 0.00 0.09 0.00 0.00 40.66 42.59 2pl3 h LEU 124 CO 0.04 0.88 -0.06 0.58 0.09 0.00 0.00 178.44 179.97 2pl3 h VAL 125 N 0.26 1.01 -0.90 1.22 2.07 -1.59 -1.26 116.25 117.06 2pl3 h VAL 125 Ca -0.00 -0.49 0.05 0.00 0.82 0.00 0.00 66.70 67.08 2pl3 h VAL 125 Cb 1.08 1.32 -0.06 0.00 -1.52 0.00 0.00 31.29 32.12 2pl3 h VAL 125 CO 0.10 0.12 0.59 -0.65 0.02 0.00 0.00 177.57 177.74 2pl3 h PRO 126 N -0.38 1.04 0.16 1.57 0.11 -1.77 -2.21 132.00 130.51 2pl3 h PRO 126 Ca -0.02 -0.06 0.02 0.00 0.11 0.00 0.00 66.00 66.05 2pl3 h PRO 126 Cb 0.31 -0.23 -0.04 0.00 0.11 0.00 0.00 31.00 31.16 2pl3 h PRO 126 CO 0.03 0.69 -0.32 0.28 -0.21 0.00 0.00 178.00 178.46 2pl3 h VAL 127 N 1.07 0.32 -0.73 3.15 2.07 -1.06 0.44 116.25 121.51 2pl3 h VAL 127 Ca 0.38 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.97 2pl3 h VAL 127 Cb 0.13 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.16 2pl3 h VAL 127 CO -0.13 0.00 0.41 -0.07 0.02 0.00 0.00 177.57 177.79 2pl3 h LEU 128 N -0.57 0.59 -0.58 2.57 3.38 -1.09 -2.77 115.31 116.84 2pl3 h LEU 128 Ca 0.02 0.04 -0.15 0.00 0.09 0.00 0.00 57.88 57.88 2pl3 h LEU 128 Cb 0.58 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 2pl3 h LEU 128 CO -0.16 0.37 -0.50 -0.33 0.09 0.00 0.00 178.44 177.91 2pl3 h GLU 129 N 0.73 0.54 -0.64 1.13 4.39 -1.25 -0.38 114.58 119.10 2pl3 h GLU 129 Ca 0.33 -0.32 0.03 0.00 0.34 0.00 0.00 59.36 59.74 2pl3 h GLU 129 Cb 0.24 0.03 -0.04 0.00 -0.10 0.00 0.00 28.75 28.88 2pl3 h GLU 129 CO -0.21 0.92 0.40 0.00 -1.16 0.00 0.00 179.01 178.96 2pl3 h ALA 130 N 1.03 0.83 0.04 3.43 0.00 -0.62 0.62 119.26 124.58 2pl3 h ALA 130 Ca 0.02 -0.02 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2pl3 h ALA 130 Cb 1.02 -0.21 0.01 0.00 0.00 0.00 0.00 17.79 18.62 2pl3 h ALA 130 CO 0.09 0.16 -1.04 -0.07 0.00 0.00 0.00 179.25 178.39 2pl3 h LEU 131 N 0.78 0.61 -0.55 0.00 3.38 -1.50 -3.19 115.31 114.85 2pl3 h LEU 131 Ca 0.25 -0.52 0.03 0.00 0.09 0.00 0.00 57.88 57.74 2pl3 h LEU 131 Cb 0.01 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 2pl3 h LEU 131 CO -0.10 1.33 0.32 0.22 0.09 0.00 0.00 178.44 180.31 2pl3 h TYR 132 N 0.23 0.59 -0.06 1.13 3.20 -0.85 -2.04 116.97 119.17 2pl3 h TYR 132 Ca -0.11 0.02 0.02 0.00 3.14 0.00 0.00 58.73 61.80 2pl3 h TYR 132 Cb 1.70 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 39.78 2pl3 h TYR 132 CO 0.07 0.33 0.07 0.00 -1.64 0.00 0.00 178.16 176.99 2pl3 h ARG 133 N 0.63 0.00 -0.02 1.82 3.08 -0.89 0.59 114.38 119.58 2pl3 h ARG 133 Ca 0.23 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.28 2pl3 h ARG 133 Cb 0.05 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.10 2pl3 h ARG 133 CO -0.11 0.00 -0.07 1.28 -1.07 0.00 0.00 179.97 180.00 2pl3 n LEU 134 N -3.78 2.15 -3.85 3.04 4.77 -0.83 -4.96 117.00 113.55 2pl3 n LEU 134 Ca -0.01 -0.72 -0.28 0.00 -0.03 0.00 0.00 56.01 54.97 2pl3 n LEU 134 Cb 0.17 -0.01 0.03 0.00 -2.33 0.00 0.00 43.42 41.27 2pl3 n LEU 134 CO 0.27 0.36 0.06 0.00 -1.33 0.00 0.00 177.39 176.75 2pl3 n GLN 135 N 0.58 -5.38 -2.21 3.23 6.02 0.20 -4.90 117.38 114.92 2pl3 n GLN 135 Ca 0.15 0.61 -0.39 0.00 -0.01 0.00 0.00 57.00 57.35 2pl3 n GLN 135 Cb 0.47 -5.39 -0.02 0.00 1.02 0.00 0.00 30.24 26.32 2pl3 n GLN 135 CO 0.00 0.00 0.00 -0.46 -1.01 0.00 0.00 177.06 175.59 2pl3 s TRP 136 N -3.42 3.05 0.32 1.08 -0.11 -0.86 -5.03 118.94 113.98 2pl3 s TRP 136 Ca 0.47 1.50 0.04 0.00 1.22 0.00 0.00 56.10 59.33 2pl3 s TRP 136 Cb -0.23 -3.53 -0.03 0.00 -1.50 0.00 0.00 33.47 28.18 2pl3 s TRP 136 CO 0.82 -1.57 0.20 -0.08 -4.62 0.00 0.00 176.95 171.70 2pl3 s THR 137 N -1.27 0.21 0.53 5.86 -1.32 -1.26 -4.57 115.64 113.81 2pl3 s THR 137 Ca 0.53 -2.00 0.19 0.00 -1.21 0.00 0.00 61.69 59.21 2pl3 s THR 137 Cb -0.35 -2.48 0.31 0.00 -1.51 0.00 0.00 72.50 68.47 2pl3 s THR 137 CO 0.45 0.00 2.12 0.77 -2.21 0.00 0.00 174.62 175.75 2pl3 h SER 138 N 2.15 0.00 1.08 8.08 4.64 -1.88 0.78 113.55 128.39 2pl3 h SER 138 Ca -0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.01 2pl3 h SER 138 Cb 1.25 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.34 2pl3 h SER 138 CO 0.47 0.00 0.00 0.71 -0.87 0.00 0.00 176.83 177.14 2pl3 h THR 139 N 0.00 0.00 0.00 2.95 1.35 -1.95 -3.23 112.91 112.03 2pl3 h THR 139 Ca 0.06 -0.42 0.00 0.00 -0.55 0.00 0.00 66.41 65.51 2pl3 h THR 139 Cb 0.26 1.29 0.00 0.00 -1.73 0.00 0.00 68.15 67.98 2pl3 h THR 139 CO -0.00 0.00 0.00 0.47 -0.25 0.00 0.00 175.52 175.74 2pl3 n ASP 140 N -2.51 0.00 0.00 5.36 8.00 0.27 -5.02 116.55 122.65 2pl3 n ASP 140 Ca 0.03 0.09 0.00 0.00 0.71 0.00 0.00 54.79 55.62 2pl3 n ASP 140 Cb 0.32 -0.35 0.00 0.00 -0.02 0.00 0.00 41.12 41.07 2pl3 n ASP 140 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2pl3 n GLY 141 N 1.03 -0.57 3.59 0.44 0.00 -1.22 -4.80 105.19 103.66 2pl3 n GLY 141 Ca 0.11 -1.12 -0.42 0.00 0.00 0.00 0.00 46.02 44.59 2pl3 n GLY 141 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 2pl3 s LEU 142 N 0.00 3.51 -0.19 0.99 2.96 -1.22 -3.96 118.68 120.77 2pl3 s LEU 142 Ca 0.00 0.52 0.18 0.00 -0.22 0.00 0.00 54.13 54.61 2pl3 s LEU 142 Cb 0.00 -3.33 -0.25 0.00 0.50 0.00 0.00 46.19 43.11 2pl3 s LEU 142 CO 0.00 -1.52 0.09 0.61 -1.32 0.00 0.00 176.35 174.20 2pl3 n GLY 143 N 5.12 -0.97 2.87 7.98 0.00 0.74 -3.34 105.19 117.59 2pl3 n GLY 143 Ca 0.14 -0.34 -0.14 0.00 0.00 0.00 0.00 46.02 45.68 2pl3 n GLY 143 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2pl3 s VAL 144 N -2.53 -0.04 -0.19 1.61 1.01 -0.65 0.10 120.40 119.70 2pl3 s VAL 144 Ca -0.10 0.16 -0.03 0.00 0.00 0.00 0.00 61.98 62.02 2pl3 s VAL 144 Cb 0.06 -0.16 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 2pl3 s VAL 144 CO 0.81 0.07 -0.06 -0.76 0.00 0.00 0.00 175.10 175.16 2pl3 s LEU 145 N 0.94 2.94 -0.18 3.92 1.43 -0.85 -1.11 118.68 125.77 2pl3 s LEU 145 Ca -0.07 -0.32 -0.00 0.00 -1.03 0.00 0.00 54.13 52.70 2pl3 s LEU 145 Cb -0.10 -1.72 0.01 0.00 0.03 0.00 0.00 46.19 44.40 2pl3 s LEU 145 CO -0.04 0.06 -0.14 -0.63 0.23 0.00 0.00 176.35 175.83 2pl3 s ILE 146 N 0.98 2.58 -0.22 -0.59 1.01 0.17 -0.29 121.20 124.84 2pl3 s ILE 146 Ca -0.00 -0.77 -0.06 0.00 0.00 0.00 0.00 60.65 59.82 2pl3 s ILE 146 Cb -0.15 -2.11 -0.02 0.00 0.01 0.00 0.00 42.46 40.19 2pl3 s ILE 146 CO 0.00 0.50 0.02 -0.63 0.00 0.00 0.00 174.94 174.83 2pl3 s ILE 147 N 1.21 3.98 0.25 2.92 1.01 0.63 -0.86 121.20 130.34 2pl3 s ILE 147 Ca 0.02 -0.30 0.11 0.00 0.00 0.00 0.00 60.65 60.49 2pl3 s ILE 147 Cb -0.14 -2.82 -0.05 0.00 0.01 0.00 0.00 42.46 39.46 2pl3 s ILE 147 CO -0.07 0.40 -0.16 -0.44 0.00 0.00 0.00 174.94 174.67 2pl3 s SER 148 N 1.28 3.78 0.24 3.58 0.01 0.47 -0.11 113.70 122.96 2pl3 s SER 148 Ca 0.04 -0.89 0.04 0.00 1.31 0.00 0.00 55.95 56.45 2pl3 s SER 148 Cb -0.15 -0.42 0.25 0.00 0.21 0.00 0.00 66.02 65.91 2pl3 s SER 148 CO 0.01 0.05 1.56 -0.65 0.41 0.00 0.00 173.24 174.63 2pl3 h PRO 149 N 2.44 0.24 -4.62 12.44 0.11 -1.85 -3.36 132.00 137.39 2pl3 h PRO 149 Ca -0.43 -0.16 -0.24 0.00 0.11 0.00 0.00 66.00 65.29 2pl3 h PRO 149 Cb 1.24 0.02 -0.15 0.00 0.11 0.00 0.00 31.00 32.23 2pl3 h PRO 149 CO 0.57 0.77 -0.66 0.95 -0.21 0.00 0.00 178.00 179.42 2pl3 s THR 150 N -3.76 0.44 0.30 -1.15 -4.23 -1.26 -4.75 115.64 101.23 2pl3 s THR 150 Ca -0.04 -1.94 -0.01 0.00 -1.18 0.00 0.00 61.69 58.52 2pl3 s THR 150 Cb 0.12 -2.03 0.27 0.00 1.34 0.00 0.00 72.50 72.20 2pl3 s THR 150 CO 0.80 -0.53 1.95 0.08 -0.54 0.00 0.00 174.62 176.38 2pl3 h ARG 151 N 2.80 1.06 -0.24 3.99 0.11 -1.90 0.79 114.38 120.99 2pl3 h ARG 151 Ca -0.36 -0.06 -0.18 0.00 0.10 0.00 0.00 59.98 59.48 2pl3 h ARG 151 Cb 1.20 -0.24 -0.00 0.00 1.11 0.00 0.00 29.97 32.04 2pl3 h ARG 151 CO 0.62 0.70 -0.57 0.93 0.10 0.00 0.00 179.97 181.75 2pl3 h GLU 152 N 1.09 0.76 -0.34 0.08 3.07 -1.97 -1.49 114.58 115.79 2pl3 h GLU 152 Ca 0.33 -0.49 -0.13 0.00 -0.50 0.00 0.00 59.36 58.57 2pl3 h GLU 152 Cb -0.02 0.06 -0.01 0.00 -0.84 0.00 0.00 28.75 27.94 2pl3 h GLU 152 CO -0.09 1.12 -0.32 -0.07 -1.40 0.00 0.00 179.01 178.25 2pl3 h LEU 153 N 0.58 0.77 -0.35 1.33 3.38 -1.88 -1.02 115.31 118.12 2pl3 h LEU 153 Ca 0.01 -0.32 -0.03 0.00 0.09 0.00 0.00 57.88 57.63 2pl3 h LEU 153 Cb 1.16 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 41.68 2pl3 h LEU 153 CO 0.12 1.03 0.11 0.00 0.09 0.00 0.00 178.44 179.79 2pl3 h ALA 154 N 1.01 0.45 -0.51 1.53 0.00 -0.80 -2.27 119.26 118.68 2pl3 h ALA 154 Ca 0.07 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.82 2pl3 h ALA 154 Cb 0.85 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 18.48 2pl3 h ALA 154 CO 0.07 0.10 0.33 -0.92 0.00 0.00 0.00 179.25 178.83 2pl3 h TYR 155 N 0.41 0.65 -0.95 0.00 5.03 -1.13 0.55 116.97 121.53 2pl3 h TYR 155 Ca 0.11 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.43 2pl3 h TYR 155 Cb 0.26 -0.22 -0.05 0.00 1.55 0.00 0.00 36.73 38.27 2pl3 h TYR 155 CO 0.01 0.42 0.58 1.96 -1.32 0.00 0.00 178.16 179.82 2pl3 h GLN 156 N 0.69 1.28 -0.31 1.82 4.20 -1.02 -1.13 115.11 120.64 2pl3 h GLN 156 Ca 0.19 -0.11 -0.15 0.00 0.06 0.00 0.00 58.65 58.63 2pl3 h GLN 156 Cb -0.06 -0.27 -0.00 0.00 0.30 0.00 0.00 27.48 27.45 2pl3 h GLN 156 CO -0.04 0.89 -0.40 1.15 -0.67 0.00 0.00 178.83 179.76 2pl3 h THR 157 N 1.31 1.29 -0.99 -0.54 2.02 -0.98 -2.95 112.91 112.07 2pl3 h THR 157 Ca 0.34 -1.58 0.08 0.00 0.77 0.00 0.00 66.41 66.02 2pl3 h THR 157 Cb -0.07 1.57 -0.07 0.00 -1.74 0.00 0.00 68.15 67.83 2pl3 h THR 157 CO -0.07 0.51 0.63 0.15 0.37 0.00 0.00 175.52 177.12 2pl3 h PHE 158 N 0.59 1.16 -0.41 3.16 3.57 -0.57 -2.07 116.94 122.37 2pl3 h PHE 158 Ca 0.04 0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.49 2pl3 h PHE 158 Cb 0.99 -0.38 -0.02 0.00 2.79 0.00 0.00 35.95 39.33 2pl3 h PHE 158 CO 0.07 0.56 -0.09 0.93 -2.23 0.00 0.00 178.31 177.56 2pl3 h GLU 159 N 1.10 0.71 -0.42 1.11 4.39 -1.06 -1.32 114.58 119.10 2pl3 h GLU 159 Ca 0.45 -0.22 -0.07 0.00 0.34 0.00 0.00 59.36 59.86 2pl3 h GLU 159 Cb 0.26 -0.07 -0.01 0.00 -0.10 0.00 0.00 28.75 28.83 2pl3 h GLU 159 CO -0.20 0.79 -0.01 0.28 -1.16 0.00 0.00 179.01 178.71 2pl3 h VAL 160 N 0.65 1.26 -0.79 3.13 2.07 -1.29 -2.30 116.25 118.98 2pl3 h VAL 160 Ca 0.12 -1.04 -0.02 0.00 0.82 0.00 0.00 66.70 66.58 2pl3 h VAL 160 Cb 0.53 1.11 -0.04 0.00 -1.52 0.00 0.00 31.29 31.37 2pl3 h VAL 160 CO 0.03 0.35 0.43 0.25 0.02 0.00 0.00 177.57 178.66 2pl3 h LEU 161 N 0.57 0.99 -0.43 2.57 5.85 -1.08 0.89 115.31 124.67 2pl3 h LEU 161 Ca 0.12 -0.10 -0.17 0.00 0.84 0.00 0.00 57.88 58.56 2pl3 h LEU 161 Cb 0.50 -0.25 -0.01 0.00 0.37 0.00 0.00 40.66 41.26 2pl3 h LEU 161 CO 0.02 0.81 -0.78 0.08 -0.34 0.00 0.00 178.44 178.23 2pl3 h ARG 162 N 1.10 0.16 0.51 1.25 0.11 -1.19 0.71 114.38 117.02 2pl3 h ARG 162 Ca 0.28 -0.15 -0.02 0.00 0.10 0.00 0.00 59.98 60.18 2pl3 h ARG 162 Cb 0.04 0.04 0.00 0.00 1.11 0.00 0.00 29.97 31.16 2pl3 h ARG 162 CO -0.04 0.86 -0.24 0.87 0.10 0.00 0.00 179.97 181.51 2pl3 h LYS 163 N 0.10 -0.66 0.00 0.08 1.57 -1.13 -3.18 116.57 113.35 2pl3 h LYS 163 Ca -0.03 0.04 -0.15 0.00 -1.87 0.00 0.00 60.65 58.65 2pl3 h LYS 163 Cb 1.36 0.15 -0.02 0.00 0.08 0.00 0.00 32.23 33.80 2pl3 h LYS 163 CO 0.11 -0.35 -0.70 -0.39 -0.57 0.00 0.00 179.45 177.56 2pl3 h VAL 164 N -1.01 1.48 -0.42 0.50 -1.51 -0.86 -3.15 116.25 111.29 2pl3 h VAL 164 Ca -0.07 -2.40 0.00 0.00 -1.23 0.00 0.00 66.70 63.00 2pl3 h VAL 164 Cb 0.61 2.30 0.00 0.00 -2.13 0.00 0.00 31.29 32.07 2pl3 h VAL 164 CO 0.11 0.68 0.00 0.61 -1.23 0.00 0.00 177.57 177.75 2pl3 n GLY 165 N 0.51 1.52 0.28 5.19 0.00 0.24 -4.21 105.19 108.71 2pl3 n GLY 165 Ca -0.01 -0.51 0.16 0.00 0.00 0.00 0.00 46.02 45.67 2pl3 n GLY 165 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 2pl3 h LYS 166 N 2.55 0.00 -0.01 1.61 2.10 -1.52 -2.23 116.57 119.07 2pl3 h LYS 166 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 2pl3 h LYS 166 Cb 0.86 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.19 2pl3 h LYS 166 CO 0.10 0.06 -0.12 0.09 -2.00 0.00 0.00 179.45 177.58 2pl3 n ASN 167 N -3.27 1.30 -4.93 7.07 3.02 -1.26 -4.89 115.26 112.30 2pl3 n ASN 167 Ca -0.01 -1.22 -0.25 0.00 -0.03 0.00 0.00 54.58 53.07 2pl3 n ASN 167 Cb 0.26 0.06 0.01 0.00 -0.61 0.00 0.00 39.78 39.50 2pl3 n ASN 167 CO 0.00 0.00 0.00 -1.00 -2.62 0.00 0.00 177.26 173.64 2pl3 s HIS 168 N -2.23 3.37 -0.37 3.10 3.76 -0.84 -4.91 115.29 117.17 2pl3 s HIS 168 Ca 0.32 0.45 0.07 0.00 -0.15 0.00 0.00 55.06 55.75 2pl3 s HIS 168 Cb 0.20 -2.27 0.66 0.00 1.11 0.00 0.00 32.58 32.29 2pl3 s HIS 168 CO 0.42 -0.29 1.79 -0.25 -0.85 0.00 0.00 174.74 175.55 2pl3 n ASP 169 N -2.12 3.92 -4.78 1.40 8.00 -1.26 -4.96 116.55 116.75 2pl3 n ASP 169 Ca 0.00 -3.48 -0.30 0.00 0.71 0.00 0.00 54.79 51.72 2pl3 n ASP 169 Cb 0.57 -0.76 -0.06 0.00 -0.02 0.00 0.00 41.12 40.84 2pl3 n ASP 169 CO 0.00 0.00 0.00 -0.36 -0.39 0.00 0.00 177.20 176.45 2pl3 s PHE 170 N -3.17 3.20 0.28 1.24 0.40 -1.26 -4.00 117.98 114.68 2pl3 s PHE 170 Ca 0.54 0.08 -0.17 0.00 -0.60 0.00 0.00 56.93 56.77 2pl3 s PHE 170 Cb 0.45 -1.62 -0.09 0.00 0.51 0.00 0.00 43.02 42.27 2pl3 s PHE 170 CO 0.10 0.52 0.74 -1.54 0.70 0.00 0.00 175.22 175.75 2pl3 s SER 171 N -2.43 6.91 -0.01 1.36 1.04 -1.26 -4.98 113.70 114.33 2pl3 s SER 171 Ca 0.30 1.36 0.03 0.00 0.48 0.00 0.00 55.95 58.12 2pl3 s SER 171 Cb -0.12 -2.40 -0.01 0.00 0.10 0.00 0.00 66.02 63.59 2pl3 s SER 171 CO 0.22 -0.11 -0.10 0.00 0.98 0.00 0.00 173.24 174.23 2pl3 s ALA 172 N -1.79 0.89 0.05 5.32 0.00 -1.26 -1.26 121.76 123.71 2pl3 s ALA 172 Ca 0.50 -0.43 0.00 0.00 0.00 0.00 0.00 51.96 52.03 2pl3 s ALA 172 Cb -0.13 -0.25 -0.03 0.00 0.00 0.00 0.00 23.12 22.71 2pl3 s ALA 172 CO 0.19 0.20 -0.05 0.20 0.00 0.00 0.00 175.76 176.30 2pl3 s GLY 173 N -0.16 0.49 -0.21 0.00 0.00 0.03 -4.96 107.32 102.52 2pl3 s GLY 173 Ca 0.03 -1.02 -0.03 0.00 0.00 0.00 0.00 44.72 43.70 2pl3 s GLY 173 CO -0.00 -1.11 -0.06 -2.27 0.00 0.00 0.00 173.10 169.66 2pl3 s LEU 174 N -2.37 2.85 -0.25 0.66 2.96 -1.26 -0.78 118.68 120.49 2pl3 s LEU 174 Ca -0.00 -0.39 0.02 0.00 -0.22 0.00 0.00 54.13 53.54 2pl3 s LEU 174 Cb -0.00 -1.71 0.05 0.00 0.50 0.00 0.00 46.19 45.03 2pl3 s LEU 174 CO -0.05 0.01 -0.12 0.27 -1.32 0.00 0.00 176.35 175.14 2pl3 s ILE 175 N 1.31 2.19 0.00 6.68 -4.36 0.21 -4.95 121.20 122.28 2pl3 s ILE 175 Ca 0.04 -1.48 0.00 0.00 -0.26 0.00 0.00 60.65 58.94 2pl3 s ILE 175 Cb -0.14 -2.21 0.00 0.00 1.25 0.00 0.00 42.46 41.35 2pl3 s ILE 175 CO -0.03 0.08 0.01 2.30 0.24 0.00 0.00 174.94 177.55 2pl3 n ILE 176 N 4.48 0.00 -0.54 8.37 -5.35 -1.26 -2.47 119.36 122.58 2pl3 n ILE 176 Ca -0.15 -0.01 0.03 0.00 -0.27 0.00 0.00 62.75 62.34 2pl3 n ILE 176 Cb 0.44 1.64 -0.01 0.00 -1.74 0.00 0.00 39.64 39.96 2pl3 n ILE 176 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2pl3 n GLY 177 N 0.01 -3.11 1.20 3.28 0.00 -1.26 -4.74 105.19 100.57 2pl3 n GLY 177 Ca 0.00 -1.21 0.00 0.00 0.00 0.00 0.00 46.02 44.81 2pl3 n GLY 177 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2pl3 n GLY 178 N -2.28 0.90 0.00 -0.02 0.00 -1.26 -5.05 105.19 97.48 2pl3 n GLY 178 Ca -0.01 -0.55 0.00 0.00 0.00 0.00 0.00 46.02 45.46 2pl3 n GLY 178 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2pl3 n LEU 181 N -0.47 0.00 0.10 0.99 4.77 -1.26 -5.25 117.00 115.89 2pl3 n LEU 181 Ca 0.00 0.00 -0.04 0.00 -0.03 0.00 0.00 56.01 55.94 2pl3 n LEU 181 Cb 0.42 0.00 0.05 0.00 -2.33 0.00 0.00 43.42 41.56 2pl3 n LEU 181 CO 0.00 0.00 0.35 0.07 -1.33 0.00 0.00 177.39 176.48 2pl3 h LYS 182 N 0.00 0.01 -1.01 3.23 2.10 -2.03 -3.09 116.57 115.78 2pl3 h LYS 182 Ca 0.00 -0.01 0.23 0.00 -2.00 0.00 0.00 60.65 58.87 2pl3 h LYS 182 Cb 0.00 0.00 -0.11 0.00 -0.90 0.00 0.00 32.23 31.23 2pl3 h LYS 182 CO 0.00 0.78 0.62 0.45 -2.00 0.00 0.00 179.45 179.30 2pl3 h HIS 183 N 0.01 0.93 0.10 0.07 -0.00 -2.07 -2.52 115.15 111.67 2pl3 h HIS 183 Ca -0.01 0.03 -0.01 0.00 -0.00 0.00 0.00 60.37 60.39 2pl3 h HIS 183 Cb 1.37 -0.27 0.00 0.00 -0.00 0.00 0.00 27.41 28.51 2pl3 h HIS 183 CO 0.00 0.13 -0.05 1.49 -0.00 0.00 0.00 177.93 179.50 2pl3 h GLU 184 N 0.59 -0.13 -0.52 2.45 4.81 -1.99 -3.26 114.58 116.52 2pl3 h GLU 184 Ca 0.60 0.01 0.06 0.00 -0.13 0.00 0.00 59.36 59.90 2pl3 h GLU 184 Cb 1.18 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 30.54 2pl3 h GLU 184 CO -0.39 0.21 0.23 0.00 -0.73 0.00 0.00 179.01 178.34 2pl3 h ALA 185 N 0.35 0.67 -0.87 2.92 0.00 -1.56 -2.44 119.26 118.33 2pl3 h ALA 185 Ca -0.01 0.04 0.17 0.00 0.00 0.00 0.00 54.91 55.11 2pl3 h ALA 185 Cb 0.40 -0.02 -0.17 0.00 0.00 0.00 0.00 17.79 18.00 2pl3 h ALA 185 CO 0.02 -0.14 -0.22 1.05 0.00 0.00 0.00 179.25 179.97 2pl3 h GLU 186 N 0.45 -0.00 0.12 0.00 9.09 -1.52 -2.53 114.58 120.19 2pl3 h GLU 186 Ca 0.24 0.00 -0.29 0.00 0.05 0.00 0.00 59.36 59.37 2pl3 h GLU 186 Cb 0.20 0.00 -0.00 0.00 -1.65 0.00 0.00 28.75 27.30 2pl3 h GLU 186 CO -0.20 -0.00 -1.35 0.07 0.05 0.00 0.00 179.01 177.57 2pl3 h ARG 187 N -0.00 0.26 0.00 1.06 -0.00 -1.52 -3.39 114.38 110.78 2pl3 h ARG 187 Ca 0.42 -0.44 0.00 0.00 -0.00 0.00 0.00 59.98 59.96 2pl3 h ARG 187 Cb 0.64 0.16 0.00 0.00 -0.00 0.00 0.00 29.97 30.77 2pl3 h ARG 187 CO -0.90 1.17 -0.06 -0.84 -0.00 0.00 0.00 179.97 179.34 2pl3 h ILE 188 N 0.07 0.00 -0.85 0.08 3.07 -1.01 -3.25 117.51 115.61 2pl3 h ILE 188 Ca -0.18 -0.80 0.25 0.00 1.55 0.00 0.00 64.86 65.68 2pl3 h ILE 188 Cb 1.99 1.77 -0.04 0.00 -0.27 0.00 0.00 36.82 40.27 2pl3 h ILE 188 CO 0.19 0.00 0.61 -0.55 -1.05 0.00 0.00 178.15 177.35 2pl3 h ASN 189 N 0.00 0.02 0.01 2.16 7.08 -1.76 -1.36 115.58 121.73 2pl3 h ASN 189 Ca 0.00 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.22 2pl3 h ASN 189 Cb 0.90 -0.00 0.00 0.00 -2.08 0.00 0.00 38.32 37.14 2pl3 h ASN 189 CO 0.00 0.01 -0.03 0.59 -2.08 0.00 0.00 177.43 175.92 2pl3 n ASN 190 N -4.29 1.59 -4.76 6.14 3.02 -1.23 -4.71 115.26 111.02 2pl3 n ASN 190 Ca 0.18 -1.49 -0.39 0.00 -0.03 0.00 0.00 54.58 52.85 2pl3 n ASN 190 Cb 0.91 0.02 -0.06 0.00 -0.61 0.00 0.00 39.78 40.04 2pl3 n ASN 190 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2pl3 s ILE 191 N -2.05 4.88 -0.02 2.41 1.01 -0.52 -4.55 121.20 122.36 2pl3 s ILE 191 Ca 0.36 1.30 -0.08 0.00 0.00 0.00 0.00 60.65 62.22 2pl3 s ILE 191 Cb 0.21 -3.96 -0.30 0.00 0.01 0.00 0.00 42.46 38.42 2pl3 s ILE 191 CO 0.35 0.42 0.76 0.78 0.00 0.00 0.00 174.94 177.25 2pl3 h ASN 192 N 5.60 0.56 -3.47 3.58 -0.26 -1.59 -3.23 115.58 116.76 2pl3 h ASN 192 Ca -0.45 -0.79 -0.61 0.00 -0.56 0.00 0.00 56.30 53.88 2pl3 h ASN 192 Cb 1.20 -0.18 -0.37 0.00 -1.06 0.00 0.00 38.32 37.91 2pl3 h ASN 192 CO 0.70 1.66 -0.81 -0.63 -1.06 0.00 0.00 177.43 177.29 2pl3 s ILE 193 N -2.59 1.63 -0.24 2.81 1.01 -0.39 -0.19 121.20 123.23 2pl3 s ILE 193 Ca -0.13 -1.05 -0.07 0.00 0.00 0.00 0.00 60.65 59.40 2pl3 s ILE 193 Cb 0.06 -1.73 -0.03 0.00 0.01 0.00 0.00 42.46 40.77 2pl3 s ILE 193 CO 0.86 0.12 0.06 -0.76 0.00 0.00 0.00 174.94 175.22 2pl3 s LEU 194 N 1.39 3.40 -0.20 2.97 1.02 -0.27 -0.79 118.68 126.21 2pl3 s LEU 194 Ca -0.02 -0.21 -0.15 0.00 0.02 0.00 0.00 54.13 53.77 2pl3 s LEU 194 Cb -0.17 -1.90 -0.04 0.00 0.02 0.00 0.00 46.19 44.10 2pl3 s LEU 194 CO -0.08 -0.02 0.34 -0.69 0.02 0.00 0.00 176.35 175.92 2pl3 s VAL 195 N 1.54 5.25 0.06 -1.59 1.01 0.04 -0.66 120.40 126.04 2pl3 s VAL 195 Ca 0.06 0.60 -0.00 0.00 0.00 0.00 0.00 61.98 62.64 2pl3 s VAL 195 Cb -0.15 -3.68 -0.04 0.00 0.00 0.00 0.00 36.38 32.52 2pl3 s VAL 195 CO 0.03 0.30 -0.04 0.00 0.00 0.00 0.00 175.10 175.39 2pl3 s THR 197 N -3.71 4.97 0.13 0.00 -4.23 -1.03 -0.39 115.64 111.37 2pl3 s THR 197 Ca 0.07 -0.86 -0.17 0.00 -1.18 0.00 0.00 61.69 59.55 2pl3 s THR 197 Cb 0.06 -3.55 -0.02 0.00 1.34 0.00 0.00 72.50 70.33 2pl3 s THR 197 CO -0.08 -0.10 1.69 -0.65 -0.54 0.00 0.00 174.62 174.94 2pl3 h PRO 198 N 2.25 0.51 -0.24 3.99 0.11 -1.86 -2.08 132.00 134.67 2pl3 h PRO 198 Ca -0.48 -0.08 -0.02 0.00 0.11 0.00 0.00 66.00 65.53 2pl3 h PRO 198 Cb 1.20 -0.09 -0.01 0.00 0.11 0.00 0.00 31.00 32.21 2pl3 h PRO 198 CO 0.66 0.48 0.07 0.78 -0.21 0.00 0.00 178.00 179.78 2pl3 h GLY 199 N 0.43 0.41 1.03 -0.55 0.00 -1.95 -1.68 103.07 100.75 2pl3 h GLY 199 Ca 0.12 -0.25 -0.05 0.00 0.00 0.00 0.00 47.33 47.15 2pl3 h GLY 199 CO -0.01 0.23 0.24 -0.09 0.00 0.00 0.00 176.54 176.91 2pl3 h ARG 200 N 0.22 1.04 -0.26 4.80 9.65 -1.91 -1.15 114.38 126.77 2pl3 h ARG 200 Ca 0.08 -0.21 -0.00 0.00 -1.10 0.00 0.00 59.98 58.75 2pl3 h ARG 200 Cb 0.25 -0.16 -0.01 0.00 -1.39 0.00 0.00 29.97 28.66 2pl3 h ARG 200 CO -0.00 0.89 0.16 1.25 2.80 0.00 0.00 179.97 185.06 2pl3 h LEU 201 N 0.99 0.32 -1.23 3.80 5.85 -1.23 -0.49 115.31 123.31 2pl3 h LEU 201 Ca 0.22 -0.05 -0.05 0.00 0.84 0.00 0.00 57.88 58.84 2pl3 h LEU 201 Cb 0.26 -0.08 -0.02 0.00 0.37 0.00 0.00 40.66 41.19 2pl3 h LEU 201 CO -0.01 0.28 0.01 0.25 -0.34 0.00 0.00 178.44 178.62 2pl3 h LEU 202 N 0.33 0.50 0.98 2.25 5.85 -1.13 -0.63 115.31 123.46 2pl3 h LEU 202 Ca 0.09 -0.09 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 2pl3 h LEU 202 Cb 0.02 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 40.93 2pl3 h LEU 202 CO -0.02 0.56 -0.47 1.56 -0.34 0.00 0.00 178.44 179.73 2pl3 h GLN 203 N 0.51 -1.27 -0.88 1.25 4.20 -0.93 0.15 115.11 118.15 2pl3 h GLN 203 Ca 0.11 0.09 0.21 0.00 0.06 0.00 0.00 58.65 59.12 2pl3 h GLN 203 Cb 0.32 0.29 -0.16 0.00 0.30 0.00 0.00 27.48 28.23 2pl3 h GLN 203 CO 0.01 -0.85 -0.03 0.45 -0.67 0.00 0.00 178.83 177.74 2pl3 h HIS 204 N -1.35 -0.13 -0.00 2.96 3.86 -0.85 0.14 115.15 119.78 2pl3 h HIS 204 Ca -0.13 0.07 0.02 0.00 -1.16 0.00 0.00 60.37 59.16 2pl3 h HIS 204 Cb 1.01 0.20 -0.02 0.00 1.06 0.00 0.00 27.41 29.66 2pl3 h HIS 204 CO 0.00 -0.34 -0.09 0.52 0.86 0.00 0.00 177.93 178.88 2pl3 h MET 205 N 0.05 -0.14 -0.24 2.45 2.86 -0.90 -0.73 114.93 118.28 2pl3 h MET 205 Ca 0.49 0.01 -0.17 0.00 -2.06 0.00 0.00 59.70 57.97 2pl3 h MET 205 Cb 0.90 0.03 -0.00 0.00 0.06 0.00 0.00 31.60 32.59 2pl3 h MET 205 CO -0.82 -0.10 -0.54 -0.44 1.06 0.00 0.00 176.91 176.07 2pl3 h ASP 206 N -0.15 0.79 -0.19 1.22 3.32 0.86 -3.33 116.42 118.93 2pl3 h ASP 206 Ca 0.04 -0.42 -0.04 0.00 0.02 0.00 0.00 57.03 56.63 2pl3 h ASP 206 Cb 0.20 -0.23 -0.02 0.00 0.22 0.00 0.00 39.33 39.50 2pl3 h ASP 206 CO -0.09 1.17 -0.05 -0.62 -1.72 0.00 0.00 179.24 177.92 2pl3 n GLU 207 N -3.98 2.13 -3.87 3.56 1.02 0.33 -4.90 120.64 114.92 2pl3 n GLU 207 Ca -0.04 -2.88 -0.26 0.00 -0.02 0.00 0.00 57.16 53.96 2pl3 n GLU 207 Cb 0.61 -1.73 -0.17 0.00 -0.02 0.00 0.00 31.44 30.13 2pl3 n GLU 207 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 2pl3 s THR 208 N -2.97 0.91 0.19 2.62 2.01 -0.28 -4.95 115.64 113.17 2pl3 s THR 208 Ca 0.40 -0.29 0.15 0.00 0.31 0.00 0.00 61.69 62.26 2pl3 s THR 208 Cb 0.34 -1.00 0.06 0.00 0.01 0.00 0.00 72.50 71.91 2pl3 s THR 208 CO 0.04 0.28 1.66 -0.37 -0.69 0.00 0.00 174.62 175.54 2pl3 h VAL 209 N 6.26 1.12 0.00 3.82 -1.51 -1.88 -3.16 116.25 120.89 2pl3 h VAL 209 Ca -0.26 -1.83 0.00 0.00 -1.23 0.00 0.00 66.70 63.38 2pl3 h VAL 209 Cb 1.13 2.05 0.00 0.00 -2.13 0.00 0.00 31.29 32.34 2pl3 h VAL 209 CO 0.38 0.48 -0.76 -1.54 -1.23 0.00 0.00 177.57 174.90 2pl3 n SER 210 N -3.62 0.65 -4.68 4.19 3.41 -1.26 -4.83 113.62 107.47 2pl3 n SER 210 Ca -0.00 -0.02 -0.42 0.00 -0.26 0.00 0.00 58.87 58.16 2pl3 n SER 210 Cb 0.57 0.39 -0.03 0.00 -0.26 0.00 0.00 64.21 64.88 2pl3 n SER 210 CO 0.00 0.00 0.00 0.12 -0.16 0.00 0.00 175.04 175.00 2pl3 s PHE 211 N -3.16 2.73 -0.02 7.33 5.36 -1.20 -5.00 117.98 124.02 2pl3 s PHE 211 Ca 0.06 0.74 -0.17 0.00 -0.96 0.00 0.00 56.93 56.60 2pl3 s PHE 211 Cb 0.14 -3.69 0.03 0.00 -0.34 0.00 0.00 43.02 39.16 2pl3 s PHE 211 CO 0.75 -2.62 0.36 -3.38 -1.46 0.00 0.00 175.22 168.87 2pl3 s HIS 212 N 2.68 -0.24 -0.24 10.12 -3.43 -1.26 -5.01 115.29 117.91 2pl3 s HIS 212 Ca 0.65 0.38 0.11 0.00 -0.80 0.00 0.00 55.06 55.40 2pl3 s HIS 212 Cb -0.31 0.14 0.45 0.00 -1.43 0.00 0.00 32.58 31.43 2pl3 s HIS 212 CO 0.26 -0.42 1.19 0.00 -2.00 0.00 0.00 174.74 173.77 2pl3 n ALA 213 N 1.22 4.11 -0.00 -1.38 0.00 -1.26 -4.76 120.51 118.43 2pl3 n ALA 213 Ca -0.21 -3.41 -0.00 0.00 0.00 0.00 0.00 53.44 49.82 2pl3 n ALA 213 Cb 0.56 -0.42 0.30 0.00 0.00 0.00 0.00 19.45 19.89 2pl3 n ALA 213 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 2pl3 h THR 214 N 2.52 1.19 -0.52 0.00 2.02 -1.91 -1.54 112.91 114.66 2pl3 h THR 214 Ca 0.15 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.56 2pl3 h THR 214 Cb 1.36 0.92 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 2pl3 h THR 214 CO 0.39 0.26 0.00 0.47 0.37 0.00 0.00 175.52 177.02 2pl3 n ASP 215 N -4.29 5.42 -4.68 4.18 8.00 -1.26 -4.88 116.55 119.04 2pl3 n ASP 215 Ca 0.02 -2.94 -0.45 0.00 0.71 0.00 0.00 54.79 52.12 2pl3 n ASP 215 Cb 0.24 -0.66 -0.03 0.00 -0.02 0.00 0.00 41.12 40.64 2pl3 n ASP 215 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 2pl3 n LEU 216 N 0.43 3.32 -0.13 0.64 7.94 -0.58 -4.57 117.00 124.05 2pl3 n LEU 216 Ca 0.27 1.10 -0.18 0.00 -1.11 0.00 0.00 56.01 56.09 2pl3 n LEU 216 Cb 1.15 -1.46 -0.12 0.00 0.53 0.00 0.00 43.42 43.51 2pl3 n LEU 216 CO 0.30 -0.24 -1.34 0.00 -1.11 0.00 0.00 177.39 175.00 2pl3 n GLN 217 N 3.06 0.65 -3.84 1.96 1.13 0.11 -4.71 117.38 115.74 2pl3 n GLN 217 Ca 0.15 0.14 -0.13 0.00 -1.94 0.00 0.00 57.00 55.23 2pl3 n GLN 217 Cb 0.31 -1.51 -0.14 0.00 0.11 0.00 0.00 30.24 29.00 2pl3 n GLN 217 CO 0.00 0.00 0.00 1.41 -1.44 0.00 0.00 177.06 177.03 2pl3 s MET 218 N -2.51 0.03 -0.16 -1.09 1.75 -0.95 -1.62 119.30 114.74 2pl3 s MET 218 Ca -0.34 0.08 -0.03 0.00 -1.25 0.00 0.00 55.69 54.15 2pl3 s MET 218 Cb 0.09 -0.03 -0.02 0.00 2.84 0.00 0.00 34.83 37.71 2pl3 s MET 218 CO 0.60 -0.03 -0.05 -1.17 -0.65 0.00 0.00 175.02 173.72 2pl3 s LEU 219 N 0.21 3.14 -0.10 4.11 2.96 -0.18 -2.01 118.68 126.82 2pl3 s LEU 219 Ca -0.02 -0.18 0.04 0.00 -0.22 0.00 0.00 54.13 53.75 2pl3 s LEU 219 Cb -0.02 -1.75 0.00 0.00 0.50 0.00 0.00 46.19 44.91 2pl3 s LEU 219 CO -0.01 0.15 -0.22 -0.69 -1.32 0.00 0.00 176.35 174.26 2pl3 s VAL 220 N 0.46 1.94 -0.35 1.68 1.01 0.60 -0.56 120.40 125.18 2pl3 s VAL 220 Ca -0.04 -0.95 -0.10 0.00 0.00 0.00 0.00 61.98 60.89 2pl3 s VAL 220 Cb -0.15 -1.69 0.02 0.00 0.00 0.00 0.00 36.38 34.57 2pl3 s VAL 220 CO 0.03 0.53 0.17 -0.76 0.00 0.00 0.00 175.10 175.07 2pl3 s LEU 221 N 0.40 4.47 -0.21 3.92 2.01 0.10 -0.27 118.68 129.11 2pl3 s LEU 221 Ca -0.18 -0.92 -0.18 0.00 0.01 0.00 0.00 54.13 52.86 2pl3 s LEU 221 Cb -0.18 -1.98 -0.03 0.00 0.01 0.00 0.00 46.19 44.01 2pl3 s LEU 221 CO 0.08 -0.33 0.48 -0.62 1.01 0.00 0.00 176.35 176.98 2pl3 s ASP 222 N 1.53 6.51 -1.17 2.29 2.15 0.85 -1.25 116.67 127.58 2pl3 s ASP 222 Ca 0.02 0.62 -0.00 0.00 0.43 0.00 0.00 52.55 53.61 2pl3 s ASP 222 Cb -0.19 -2.27 -0.01 0.00 -0.30 0.00 0.00 42.92 40.15 2pl3 s ASP 222 CO 0.05 -0.16 0.98 -0.62 -0.17 0.00 0.00 175.17 175.25 2pl3 n GLU 223 N 4.78 -6.18 -0.03 4.34 -0.58 -0.71 -4.03 120.64 118.23 2pl3 n GLU 223 Ca -0.06 0.84 0.05 0.00 -0.42 0.00 0.00 57.16 57.57 2pl3 n GLU 223 Cb 0.51 -5.81 0.42 0.00 -0.57 0.00 0.00 31.44 25.98 2pl3 n GLU 223 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 2pl3 h ALA 224 N 0.81 1.73 -0.13 0.62 0.00 -0.90 -1.02 119.26 120.37 2pl3 h ALA 224 Ca -0.58 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 54.21 2pl3 h ALA 224 Cb 1.33 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 2pl3 h ALA 224 CO 0.49 0.23 -0.34 0.38 0.00 0.00 0.00 179.25 180.01 2pl3 h ASP 225 N 0.58 0.27 -0.13 0.00 2.03 -1.91 -2.17 116.42 115.09 2pl3 h ASP 225 Ca 0.18 -0.10 -0.15 0.00 -0.73 0.00 0.00 57.03 56.23 2pl3 h ASP 225 Cb 0.02 -0.07 0.01 0.00 -0.83 0.00 0.00 39.33 38.45 2pl3 h ASP 225 CO -0.04 0.60 -0.52 -0.09 -1.03 0.00 0.00 179.24 178.16 2pl3 h ARG 226 N 0.23 0.59 -0.79 4.15 2.43 -1.59 -1.21 114.38 118.20 2pl3 h ARG 226 Ca 0.03 -0.46 0.16 0.00 -0.81 0.00 0.00 59.98 58.90 2pl3 h ARG 226 Cb 0.72 0.09 -0.15 0.00 -0.42 0.00 0.00 29.97 30.21 2pl3 h ARG 226 CO 0.05 1.08 -0.17 0.82 -1.51 0.00 0.00 179.97 180.24 2pl3 h ILE 227 N 0.23 0.22 -0.05 1.20 2.04 -1.19 -0.52 117.51 119.44 2pl3 h ILE 227 Ca -0.03 -0.00 -0.24 0.00 1.00 0.00 0.00 64.86 65.59 2pl3 h ILE 227 Cb 1.15 0.21 0.01 0.00 -0.74 0.00 0.00 36.82 37.46 2pl3 h ILE 227 CO 0.11 0.00 -0.92 -0.07 0.00 0.00 0.00 178.15 177.27 2pl3 h LEU 228 N 0.01 0.78 -1.38 1.44 3.38 -1.35 -2.85 115.31 115.34 2pl3 h LEU 228 Ca 0.39 -0.59 -0.06 0.00 0.09 0.00 0.00 57.88 57.71 2pl3 h LEU 228 Cb 0.60 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 2pl3 h LEU 228 CO -0.80 1.38 -0.29 0.44 0.09 0.00 0.00 178.44 179.26 2pl3 h ASP 229 N 0.38 0.00 0.61 -0.43 3.32 -0.84 -1.13 116.42 118.32 2pl3 h ASP 229 Ca -0.09 0.00 0.00 0.00 0.02 0.00 0.00 57.03 56.96 2pl3 h ASP 229 Cb 1.55 0.00 0.00 0.00 0.22 0.00 0.00 39.33 41.10 2pl3 h ASP 229 CO 0.18 0.29 0.00 0.24 -1.72 0.00 0.00 179.24 178.23 2pl3 h MET 230 N 0.00 0.00 0.00 3.56 2.86 -1.06 -3.47 114.93 116.82 2pl3 h MET 230 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2pl3 h MET 230 Cb 0.61 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.27 2pl3 h MET 230 CO 0.04 0.00 0.00 0.41 1.06 0.00 0.00 176.91 178.42 2pl3 n GLY 231 N -0.29 1.15 0.86 8.32 0.00 -0.43 -5.01 105.19 109.79 2pl3 n GLY 231 Ca 0.01 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.07 2pl3 n GLY 231 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 2pl3 n PHE 232 N -1.57 0.68 -0.13 1.61 3.72 -1.08 -4.34 117.46 116.35 2pl3 n PHE 232 Ca 0.00 -0.26 -0.05 0.00 -0.05 0.00 0.00 57.45 57.09 2pl3 n PHE 232 Cb 0.00 -0.16 0.04 0.00 -0.94 0.00 0.00 39.48 38.42 2pl3 n PHE 232 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2pl3 h ALA 233 N 3.15 0.47 -0.15 4.37 0.00 -1.81 0.14 119.26 125.43 2pl3 h ALA 233 Ca 0.00 0.07 -0.15 0.00 0.00 0.00 0.00 54.91 54.82 2pl3 h ALA 233 Cb 0.82 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.67 2pl3 h ALA 233 CO 0.12 -0.29 -0.56 -0.44 0.00 0.00 0.00 179.25 178.08 2pl3 h ASP 234 N 0.26 0.50 -0.45 0.00 3.32 -1.99 -2.35 116.42 115.70 2pl3 h ASP 234 Ca 0.20 -0.27 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 2pl3 h ASP 234 Cb 0.22 -0.14 -0.02 0.00 0.22 0.00 0.00 39.33 39.60 2pl3 h ASP 234 CO -0.23 0.96 0.24 0.74 -1.72 0.00 0.00 179.24 179.23 2pl3 h THR 235 N 0.34 1.17 -0.69 0.35 2.02 -1.79 -2.46 112.91 111.86 2pl3 h THR 235 Ca 0.00 -0.45 -0.00 0.00 0.77 0.00 0.00 66.41 66.72 2pl3 h THR 235 Cb 1.09 0.64 -0.03 0.00 -1.74 0.00 0.00 68.15 68.11 2pl3 h THR 235 CO 0.10 0.18 0.42 0.24 0.37 0.00 0.00 175.52 176.83 2pl3 h MET 236 N 0.59 0.93 -0.73 6.66 2.86 -0.77 -0.60 114.93 123.88 2pl3 h MET 236 Ca 0.16 -0.08 -0.02 0.00 -2.06 0.00 0.00 59.70 57.69 2pl3 h MET 236 Cb 0.08 -0.20 -0.03 0.00 0.06 0.00 0.00 31.60 31.51 2pl3 h MET 236 CO -0.02 0.66 0.37 -0.91 1.06 0.00 0.00 176.91 178.07 2pl3 h ASN 237 N 0.94 0.92 -0.26 1.22 2.35 -1.35 -0.72 115.58 118.67 2pl3 h ASN 237 Ca 0.25 -0.09 -0.14 0.00 -0.55 0.00 0.00 56.30 55.77 2pl3 h ASN 237 Cb -0.03 -0.23 -0.01 0.00 0.05 0.00 0.00 38.32 38.09 2pl3 h ASN 237 CO -0.05 0.76 -0.33 0.00 -1.65 0.00 0.00 177.43 176.17 2pl3 h ALA 238 N 1.38 0.75 -0.34 -0.83 0.00 -0.99 -2.16 119.26 117.08 2pl3 h ALA 238 Ca 0.25 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.74 2pl3 h ALA 238 Cb 0.07 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 2pl3 h ALA 238 CO -0.04 0.66 0.18 0.28 0.00 0.00 0.00 179.25 180.33 2pl3 h VAL 239 N 0.66 1.14 0.00 0.00 2.07 -0.65 -2.72 116.25 116.75 2pl3 h VAL 239 Ca 0.07 -0.38 -0.01 0.00 0.82 0.00 0.00 66.70 67.19 2pl3 h VAL 239 Cb 0.87 0.79 -0.00 0.00 -1.52 0.00 0.00 31.29 31.43 2pl3 h VAL 239 CO 0.08 0.15 -0.06 0.40 0.02 0.00 0.00 177.57 178.16 2pl3 h ILE 240 N 0.42 0.97 0.00 4.57 2.04 -1.00 -0.84 117.51 123.67 2pl3 h ILE 240 Ca 0.12 -0.20 -0.05 0.00 1.00 0.00 0.00 64.86 65.73 2pl3 h ILE 240 Cb 0.08 1.11 -0.01 0.00 -0.74 0.00 0.00 36.82 37.26 2pl3 h ILE 240 CO -0.02 0.06 -0.23 -0.33 0.00 0.00 0.00 178.15 177.63 2pl3 h GLU 241 N 0.00 0.00 -0.09 2.37 4.39 -1.06 -2.60 114.58 117.59 2pl3 h GLU 241 Ca -0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2pl3 h GLU 241 Cb 0.11 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.76 2pl3 h GLU 241 CO 0.01 0.23 0.00 0.09 -1.16 0.00 0.00 179.01 178.18 2pl3 n ASN 242 N -3.81 1.37 -4.66 1.42 3.02 -0.33 -4.90 115.26 107.38 2pl3 n ASN 242 Ca -0.02 -1.56 -0.27 0.00 -0.03 0.00 0.00 54.58 52.70 2pl3 n ASN 242 Cb 0.33 -0.05 -0.08 0.00 -0.61 0.00 0.00 39.78 39.36 2pl3 n ASN 242 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 2pl3 s LEU 243 N -1.76 3.30 0.21 3.41 1.43 -0.98 -4.68 118.68 119.62 2pl3 s LEU 243 Ca 0.35 -0.37 -0.30 0.00 -1.03 0.00 0.00 54.13 52.78 2pl3 s LEU 243 Cb 0.19 -1.98 -0.09 0.00 0.03 0.00 0.00 46.19 44.33 2pl3 s LEU 243 CO 0.29 0.11 1.41 -2.16 0.23 0.00 0.00 176.35 176.24 2pl3 s PRO 244 N -2.78 4.30 0.50 1.29 0.04 -1.26 -4.92 135.00 132.17 2pl3 s PRO 244 Ca 0.27 2.22 0.17 0.00 0.04 0.00 0.00 61.00 63.69 2pl3 s PRO 244 Cb -0.10 -3.15 1.21 0.00 0.04 0.00 0.00 34.50 32.50 2pl3 s PRO 244 CO 0.18 -0.40 2.08 0.87 0.04 0.00 0.00 177.00 179.77 2pl3 h LYS 245 N 5.50 0.13 0.00 4.56 1.79 -1.97 -3.23 116.57 123.34 2pl3 h LYS 245 Ca -0.45 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.01 2pl3 h LYS 245 Cb 1.21 -0.03 0.00 0.00 -1.58 0.00 0.00 32.23 31.83 2pl3 h LYS 245 CO 0.80 0.09 0.00 1.17 -1.08 0.00 0.00 179.45 180.43 2pl3 n LYS 246 N -4.48 0.15 -1.66 3.15 4.81 -1.26 -4.84 118.16 114.02 2pl3 n LYS 246 Ca 0.03 0.16 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 2pl3 n LYS 246 Cb 0.24 -1.50 0.13 0.00 0.02 0.00 0.00 35.03 33.92 2pl3 n LYS 246 CO 0.00 0.00 0.00 -0.98 1.17 0.00 0.00 177.40 177.59 2pl3 s ARG 247 N -2.45 1.27 -0.07 1.64 1.70 -1.22 -5.05 118.95 114.77 2pl3 s ARG 247 Ca 0.09 0.17 -0.13 0.00 -0.47 0.00 0.00 55.73 55.39 2pl3 s ARG 247 Cb 0.05 -1.86 -0.05 0.00 -0.57 0.00 0.00 34.95 32.52 2pl3 s ARG 247 CO 0.12 -2.08 0.33 -1.14 -1.08 0.00 0.00 175.30 171.45 2pl3 s GLN 248 N -5.42 3.95 -0.10 3.89 0.74 -0.64 -4.97 119.66 117.11 2pl3 s GLN 248 Ca 0.64 0.23 0.02 0.00 0.05 0.00 0.00 55.36 56.30 2pl3 s GLN 248 Cb -0.13 -3.29 0.01 0.00 1.10 0.00 0.00 33.01 30.71 2pl3 s GLN 248 CO 0.52 0.55 -0.14 0.99 -0.55 0.00 0.00 175.29 176.66 2pl3 s THR 249 N -0.52 1.37 -0.13 -0.34 2.01 -1.26 -1.01 115.64 115.77 2pl3 s THR 249 Ca 0.20 -0.58 -0.01 0.00 0.31 0.00 0.00 61.69 61.62 2pl3 s THR 249 Cb -0.15 -1.26 -0.02 0.00 0.01 0.00 0.00 72.50 71.08 2pl3 s THR 249 CO 0.09 0.42 -0.11 -0.76 -0.69 0.00 0.00 174.62 173.56 2pl3 s LEU 250 N 0.95 2.85 -0.19 4.42 1.43 0.27 -2.47 118.68 125.95 2pl3 s LEU 250 Ca -0.08 -0.27 0.01 0.00 -1.03 0.00 0.00 54.13 52.76 2pl3 s LEU 250 Cb -0.15 -1.65 0.02 0.00 0.03 0.00 0.00 46.19 44.44 2pl3 s LEU 250 CO -0.00 0.18 -0.18 -0.22 0.23 0.00 0.00 176.35 176.35 2pl3 s LEU 251 N 0.25 2.28 -0.12 1.79 0.20 0.76 -0.72 118.68 123.11 2pl3 s LEU 251 Ca -0.08 -0.70 0.01 0.00 0.69 0.00 0.00 54.13 54.05 2pl3 s LEU 251 Cb -0.15 -1.50 -0.01 0.00 -0.43 0.00 0.00 46.19 44.10 2pl3 s LEU 251 CO 0.05 -0.02 -0.15 -0.36 -0.29 0.00 0.00 176.35 175.58 2pl3 s PHE 252 N 1.28 2.76 0.00 5.38 0.40 -0.38 -0.02 117.98 127.40 2pl3 s PHE 252 Ca 0.04 -0.73 0.02 0.00 -0.60 0.00 0.00 56.93 55.66 2pl3 s PHE 252 Cb -0.14 -1.81 -0.01 0.00 0.51 0.00 0.00 43.02 41.57 2pl3 s PHE 252 CO -0.12 -0.26 -0.06 0.45 0.70 0.00 0.00 175.22 175.93 2pl3 s SER 253 N 0.35 0.76 0.34 1.36 0.15 0.24 -0.40 113.70 116.49 2pl3 s SER 253 Ca -0.13 -0.16 0.11 0.00 0.70 0.00 0.00 55.95 56.48 2pl3 s SER 253 Cb -0.16 -0.07 0.61 0.00 -1.71 0.00 0.00 66.02 64.69 2pl3 s SER 253 CO 0.06 0.05 1.77 0.00 1.20 0.00 0.00 173.24 176.32 2pl3 h ALA 254 N 5.83 1.27 -2.27 5.45 0.00 -1.86 -1.36 119.26 126.32 2pl3 h ALA 254 Ca -0.29 -0.39 -0.19 0.00 0.00 0.00 0.00 54.91 54.04 2pl3 h ALA 254 Cb 1.19 -0.07 -0.15 0.00 0.00 0.00 0.00 17.79 18.76 2pl3 h ALA 254 CO 0.49 0.54 -0.68 0.95 0.00 0.00 0.00 179.25 180.55 2pl3 s THR 255 N -4.07 0.43 -0.66 0.00 -4.23 -1.26 -3.27 115.64 102.58 2pl3 s THR 255 Ca -0.03 -1.89 -0.23 0.00 -1.18 0.00 0.00 61.69 58.36 2pl3 s THR 255 Cb 0.14 -1.73 0.07 0.00 1.34 0.00 0.00 72.50 72.32 2pl3 s THR 255 CO 0.74 -0.81 0.97 -1.58 -0.54 0.00 0.00 174.62 173.40 2pl3 s GLN 256 N -3.91 3.12 0.14 3.99 0.74 -1.26 -4.91 119.66 117.57 2pl3 s GLN 256 Ca 0.13 -0.79 0.11 0.00 0.05 0.00 0.00 55.36 54.86 2pl3 s GLN 256 Cb 0.07 -4.22 -0.04 0.00 1.10 0.00 0.00 33.01 29.92 2pl3 s GLN 256 CO -0.05 -1.81 -0.26 0.95 -0.55 0.00 0.00 175.29 173.57 2pl3 s THR 257 N 4.11 2.24 0.21 -0.34 -4.23 -1.26 -5.04 115.64 111.33 2pl3 s THR 257 Ca 0.23 -1.79 -0.09 0.00 -1.18 0.00 0.00 61.69 58.86 2pl3 s THR 257 Cb -0.16 -1.99 0.14 0.00 1.34 0.00 0.00 72.50 71.83 2pl3 s THR 257 CO 0.11 0.05 1.75 0.50 -0.54 0.00 0.00 174.62 176.49 2pl3 h LYS 258 N 3.79 0.44 -0.21 3.99 3.11 -1.99 -2.55 116.57 123.15 2pl3 h LYS 258 Ca -0.50 -0.03 -0.11 0.00 -2.81 0.00 0.00 60.65 57.21 2pl3 h LYS 258 Cb 1.18 -0.10 -0.01 0.00 -1.00 0.00 0.00 32.23 32.29 2pl3 h LYS 258 CO 0.40 0.29 -0.32 0.66 -2.81 0.00 0.00 179.45 177.67 2pl3 h SER 259 N 0.45 0.44 0.23 4.20 4.64 -1.99 0.39 113.55 121.92 2pl3 h SER 259 Ca 0.30 -0.17 -0.16 0.00 -0.47 0.00 0.00 61.79 61.30 2pl3 h SER 259 Cb 0.35 -0.12 -0.01 0.00 -0.31 0.00 0.00 62.40 62.31 2pl3 h SER 259 CO -0.28 0.75 -0.61 1.62 -0.87 0.00 0.00 176.83 177.44 2pl3 h VAL 260 N 0.37 1.36 -0.47 0.95 3.04 -1.88 -1.27 116.25 118.35 2pl3 h VAL 260 Ca 0.05 -1.94 -0.12 0.00 -1.01 0.00 0.00 66.70 63.67 2pl3 h VAL 260 Cb 0.75 1.94 -0.02 0.00 -2.01 0.00 0.00 31.29 31.96 2pl3 h VAL 260 CO 0.06 0.59 -0.18 0.11 -1.01 0.00 0.00 177.57 177.14 2pl3 h LYS 261 N 0.27 0.93 0.13 4.17 1.57 -1.18 -0.29 116.57 122.18 2pl3 h LYS 261 Ca -0.01 -0.37 0.02 0.00 -1.87 0.00 0.00 60.65 58.42 2pl3 h LYS 261 Cb 1.13 -0.05 -0.03 0.00 0.08 0.00 0.00 32.23 33.37 2pl3 h LYS 261 CO 0.10 1.03 -0.24 -0.44 -0.57 0.00 0.00 179.45 179.33 2pl3 h ASP 262 N 0.82 -0.67 -1.00 0.86 3.32 -0.83 -2.86 116.42 116.06 2pl3 h ASP 262 Ca 0.12 0.08 0.21 0.00 0.02 0.00 0.00 57.03 57.46 2pl3 h ASP 262 Cb 0.73 0.25 -0.11 0.00 0.22 0.00 0.00 39.33 40.42 2pl3 h ASP 262 CO 0.06 -0.33 0.61 0.25 -1.72 0.00 0.00 179.24 178.11 2pl3 h LEU 263 N -0.44 0.73 0.00 1.55 5.85 -1.05 0.15 115.31 122.09 2pl3 h LEU 263 Ca 0.03 0.11 0.00 0.00 0.84 0.00 0.00 57.88 58.86 2pl3 h LEU 263 Cb 0.46 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.48 2pl3 h LEU 263 CO -0.13 0.21 0.00 0.00 -0.34 0.00 0.00 178.44 178.18 2pl3 n ALA 264 N -2.33 1.49 -0.01 1.25 0.00 -0.13 -0.13 120.51 120.65 2pl3 n ALA 264 Ca 0.25 -0.01 0.04 0.00 0.00 0.00 0.00 53.44 53.72 2pl3 n ALA 264 Cb 0.65 -1.02 -0.07 0.00 0.00 0.00 0.00 19.45 19.01 2pl3 n ALA 264 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 2pl3 n ARG 265 N -1.07 0.41 0.09 0.00 1.74 0.50 -3.54 116.66 114.79 2pl3 n ARG 265 Ca 0.01 -0.07 -0.01 0.00 -0.77 0.00 0.00 57.85 57.01 2pl3 n ARG 265 Cb 0.01 -1.20 -0.05 0.00 -1.02 0.00 0.00 32.46 30.20 2pl3 n ARG 265 CO 0.00 0.00 0.00 -0.07 -1.52 0.00 0.00 177.63 176.04 2pl3 h LEU 266 N 0.00 0.00 0.00 0.55 -0.00 -0.49 -3.39 115.31 111.98 2pl3 h LEU 266 Ca -0.01 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.87 2pl3 h LEU 266 Cb 0.46 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.12 2pl3 h LEU 266 CO 0.00 0.68 -0.42 -1.54 -0.00 0.00 0.00 178.44 177.17 2pl3 n SER 267 N -3.18 1.50 -4.14 -0.43 3.41 0.81 -5.07 113.62 106.51 2pl3 n SER 267 Ca -0.02 -0.38 -0.24 0.00 -0.26 0.00 0.00 58.87 57.98 2pl3 n SER 267 Cb 0.83 1.03 -0.15 0.00 -0.26 0.00 0.00 64.21 65.66 2pl3 n SER 267 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 2pl3 s LEU 268 N -2.43 2.03 -0.31 1.04 1.02 -1.23 -4.82 118.68 113.98 2pl3 s LEU 268 Ca 0.00 -0.29 -0.14 0.00 0.02 0.00 0.00 54.13 53.73 2pl3 s LEU 268 Cb 0.02 -0.82 -0.03 0.00 0.02 0.00 0.00 46.19 45.38 2pl3 s LEU 268 CO 0.09 0.19 0.29 -0.54 0.02 0.00 0.00 176.35 176.41 2pl3 s LYS 269 N -0.38 3.74 -0.86 1.70 1.02 -1.26 -4.56 119.74 119.14 2pl3 s LYS 269 Ca 0.06 -0.35 -0.17 0.00 0.02 0.00 0.00 55.97 55.54 2pl3 s LYS 269 Cb -0.06 -3.74 0.02 0.00 -0.52 0.00 0.00 37.83 33.53 2pl3 s LYS 269 CO -0.01 -0.37 0.53 0.09 -0.92 0.00 0.00 175.35 174.67 2pl3 n ASN 270 N 5.23 -3.57 -4.77 2.83 3.02 -1.26 -4.45 115.26 112.29 2pl3 n ASN 270 Ca -0.11 -0.96 -0.34 0.00 -0.03 0.00 0.00 54.58 53.13 2pl3 n ASN 270 Cb 0.50 -1.29 0.01 0.00 -0.61 0.00 0.00 39.78 38.40 2pl3 n ASN 270 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 2pl3 s PRO 271 N -5.95 3.20 -0.47 3.52 0.04 -1.26 -4.77 135.00 129.31 2pl3 s PRO 271 Ca 0.24 1.55 -0.24 0.00 0.04 0.00 0.00 61.00 62.58 2pl3 s PRO 271 Cb -0.13 -1.99 0.03 0.00 0.04 0.00 0.00 34.50 32.45 2pl3 s PRO 271 CO 0.77 -0.96 0.85 -2.00 0.04 0.00 0.00 177.00 175.71 2pl3 s GLU 272 N -3.51 3.42 0.07 4.56 2.56 0.04 -4.95 118.70 120.89 2pl3 s GLU 272 Ca 0.71 -0.07 -0.21 0.00 0.00 0.00 0.00 54.97 55.40 2pl3 s GLU 272 Cb -0.23 -3.96 -0.07 0.00 2.00 0.00 0.00 34.13 31.88 2pl3 s GLU 272 CO 0.31 -1.22 0.61 0.71 -0.56 0.00 0.00 175.26 175.11 2pl3 s TYR 273 N 3.53 3.79 -0.10 5.30 2.02 -1.26 -0.93 117.35 129.70 2pl3 s TYR 273 Ca 0.32 1.32 -0.04 0.00 -0.37 0.00 0.00 57.07 58.30 2pl3 s TYR 273 Cb -0.12 -2.57 0.05 0.00 -0.40 0.00 0.00 41.96 38.92 2pl3 s TYR 273 CO 0.23 0.51 0.20 0.08 -1.57 0.00 0.00 175.55 175.00 2pl3 s VAL 274 N -0.87 -0.22 0.08 0.71 1.01 -0.03 -4.96 120.40 116.12 2pl3 s VAL 274 Ca 0.31 0.26 0.07 0.00 0.00 0.00 0.00 61.98 62.62 2pl3 s VAL 274 Cb -0.20 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.81 2pl3 s VAL 274 CO 0.20 0.11 -0.19 -1.66 0.00 0.00 0.00 175.10 173.55 2pl3 s TRP 275 N 1.90 1.67 -0.01 5.22 -2.14 -1.26 -0.75 118.94 123.57 2pl3 s TRP 275 Ca -0.02 -0.41 0.02 0.00 2.66 0.00 0.00 56.10 58.36 2pl3 s TRP 275 Cb -0.12 -0.94 -0.00 0.00 -3.10 0.00 0.00 33.47 29.31 2pl3 s TRP 275 CO -0.07 0.14 -0.08 0.14 -2.66 0.00 0.00 176.95 174.42 2pl3 s VAL 276 N -1.05 0.66 0.12 -0.66 -7.23 -0.17 -4.97 120.40 107.09 2pl3 s VAL 276 Ca 0.05 -0.33 -0.03 0.00 -1.81 0.00 0.00 61.98 59.85 2pl3 s VAL 276 Cb -0.09 -0.57 -0.03 0.00 0.56 0.00 0.00 36.38 36.25 2pl3 s VAL 276 CO 0.03 0.20 0.10 -1.38 -0.31 0.00 0.00 175.10 173.73 2pl3 s HIS 277 N -0.05 0.63 0.00 2.82 -3.43 -1.26 -4.49 115.29 109.50 2pl3 s HIS 277 Ca 0.01 -1.04 0.00 0.00 -0.80 0.00 0.00 55.06 53.23 2pl3 s HIS 277 Cb -0.05 -0.33 0.00 0.00 -1.43 0.00 0.00 32.58 30.77 2pl3 s HIS 277 CO -0.00 -0.53 0.00 -0.85 -2.00 0.00 0.00 174.74 171.36