#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3nd2 s SER 2 N 0.00 5.96 0.17 6.12 1.04 -1.26 -4.98 113.70 120.74 3nd2 s SER 2 Ca 0.00 0.28 -0.16 0.00 0.48 0.00 0.00 55.95 56.55 3nd2 s SER 2 Cb 0.00 -1.63 0.11 0.00 0.10 0.00 0.00 66.02 64.61 3nd2 s SER 2 CO 0.00 -0.58 1.68 0.74 0.98 0.00 0.00 173.24 176.06 3nd2 h THR 3 N 0.53 0.65 -0.57 2.02 2.02 -1.96 -1.84 112.91 113.76 3nd2 h THR 3 Ca -0.47 -0.02 0.08 0.00 0.77 0.00 0.00 66.41 66.77 3nd2 h THR 3 Cb 1.24 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 68.17 3nd2 h THR 3 CO 0.58 0.01 0.23 0.00 0.37 0.00 0.00 175.52 176.71 3nd2 h ALA 4 N 1.38 0.73 0.00 6.16 0.00 -1.96 -1.33 119.26 124.23 3nd2 h ALA 4 Ca 0.20 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.18 3nd2 h ALA 4 Cb 0.30 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nd2 h ALA 4 CO -0.37 -0.17 -0.36 1.05 0.00 0.00 0.00 179.25 179.40 3nd2 h GLU 5 N 0.42 0.00 -0.18 0.00 4.11 -1.92 -2.27 114.58 114.74 3nd2 h GLU 5 Ca 0.28 0.00 -0.21 0.00 0.07 0.00 0.00 59.36 59.49 3nd2 h GLU 5 Cb 0.30 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.56 3nd2 h GLU 5 CO -0.26 0.00 -0.73 0.35 0.07 0.00 0.00 179.01 178.44 3nd2 h PHE 6 N 0.00 1.07 -0.15 2.06 3.57 -1.03 -2.37 116.94 120.09 3nd2 h PHE 6 Ca 0.00 -0.45 0.03 0.00 3.53 0.00 0.00 57.97 61.08 3nd2 h PHE 6 Cb 0.92 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 39.45 3nd2 h PHE 6 CO 0.00 1.28 -0.03 0.00 -2.23 0.00 0.00 178.31 177.33 3nd2 h ALA 7 N 0.60 0.10 -0.40 2.41 0.00 -1.11 -1.98 119.26 118.88 3nd2 h ALA 7 Ca -0.04 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3nd2 h ALA 7 Cb 1.35 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 19.23 3nd2 h ALA 7 CO 0.15 -0.48 0.17 0.37 0.00 0.00 0.00 179.25 179.46 3nd2 h GLN 8 N 0.00 0.55 -0.73 0.00 5.75 -1.46 -1.60 115.11 117.62 3nd2 h GLN 8 Ca 0.07 -0.06 -0.05 0.00 -0.15 0.00 0.00 58.65 58.46 3nd2 h GLN 8 Cb 0.11 -0.11 -0.03 0.00 1.07 0.00 0.00 27.48 28.52 3nd2 h GLN 8 CO -0.15 0.45 0.27 1.25 -2.65 0.00 0.00 178.83 178.00 3nd2 h LEU 9 N 0.55 1.01 0.06 -2.39 6.46 -0.99 -1.33 115.31 118.67 3nd2 h LEU 9 Ca 0.14 -0.16 -0.00 0.00 -0.12 0.00 0.00 57.88 57.74 3nd2 h LEU 9 Cb 0.09 -0.26 0.00 0.00 -0.73 0.00 0.00 40.66 39.76 3nd2 h LEU 9 CO -0.02 0.90 -0.03 -0.07 -0.62 0.00 0.00 178.44 178.61 3nd2 h LEU 10 N 1.06 -0.06 -0.90 2.25 3.38 -0.74 -2.65 115.31 117.64 3nd2 h LEU 10 Ca 0.24 -0.47 0.17 0.00 0.09 0.00 0.00 57.88 57.91 3nd2 h LEU 10 Cb 0.23 0.02 -0.10 0.00 0.09 0.00 0.00 40.66 40.89 3nd2 h LEU 10 CO -0.02 0.46 0.48 -0.33 0.09 0.00 0.00 178.44 179.12 3nd2 h GLU 11 N -0.61 0.62 -0.36 1.13 5.08 -1.32 -1.30 114.58 117.81 3nd2 h GLU 11 Ca -0.01 -0.04 -0.08 0.00 -1.00 0.00 0.00 59.36 58.24 3nd2 h GLU 11 Cb 0.53 -0.14 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 3nd2 h GLU 11 CO 0.01 0.41 -0.09 -0.91 -1.00 0.00 0.00 179.01 177.43 3nd2 h ASN 12 N 0.64 0.60 0.22 1.42 2.35 -1.23 0.36 115.58 119.94 3nd2 h ASN 12 Ca 0.51 -0.16 -0.00 0.00 -0.55 0.00 0.00 56.30 56.10 3nd2 h ASN 12 Cb 0.78 -0.16 -0.00 0.00 0.05 0.00 0.00 38.32 38.99 3nd2 h ASN 12 CO -0.39 0.74 -0.02 0.77 -1.65 0.00 0.00 177.43 176.88 3nd2 h SER 13 N 0.57 0.00 0.00 5.81 4.64 -0.86 -3.28 113.55 120.43 3nd2 h SER 13 Ca 0.11 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.43 3nd2 h SER 13 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 3nd2 h SER 13 CO 0.03 0.02 0.00 2.30 -0.87 0.00 0.00 176.83 178.31 3nd2 n ILE 14 N -3.27 0.00 1.14 0.95 -5.35 -1.23 -4.75 119.36 106.85 3nd2 n ILE 14 Ca -0.02 0.00 0.12 0.00 -0.27 0.00 0.00 62.75 62.58 3nd2 n ILE 14 Cb 0.13 0.00 0.61 0.00 -1.74 0.00 0.00 39.64 38.64 3nd2 n ILE 14 CO 0.00 0.00 0.00 0.18 -1.76 0.00 0.00 176.55 174.97 3nd2 n LEU 15 N -1.38 0.00 -4.78 7.28 4.77 0.12 -4.68 117.00 118.34 3nd2 n LEU 15 Ca 0.00 0.29 -0.39 0.00 -0.03 0.00 0.00 56.01 55.88 3nd2 n LEU 15 Cb 0.00 -0.29 -0.06 0.00 -2.33 0.00 0.00 43.42 40.74 3nd2 n LEU 15 CO 0.00 -0.06 0.50 -0.55 -1.33 0.00 0.00 177.39 175.95 3nd2 s SER 16 N -2.59 7.40 0.00 -1.43 0.15 -1.01 -4.92 113.70 111.31 3nd2 s SER 16 Ca 0.23 1.67 0.27 0.00 0.70 0.00 0.00 55.95 58.81 3nd2 s SER 16 Cb 0.16 -2.51 0.89 0.00 -1.71 0.00 0.00 66.02 62.85 3nd2 s SER 16 CO 0.37 0.20 1.65 -0.81 1.20 0.00 0.00 173.24 175.85 3nd2 n PRO 17 N 1.54 1.07 -2.99 5.44 -0.05 -1.26 -4.76 135.00 133.99 3nd2 n PRO 17 Ca -0.05 -0.61 -0.41 0.00 -0.05 0.00 0.00 63.50 62.38 3nd2 n PRO 17 Cb 0.49 -1.49 -0.05 0.00 -0.05 0.00 0.00 33.50 32.40 3nd2 n PRO 17 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 175.50 175.79 3nd2 s ASP 18 N -2.35 6.71 0.26 3.54 2.15 -1.26 -4.96 116.67 120.76 3nd2 s ASP 18 Ca 0.29 0.87 -0.03 0.00 0.43 0.00 0.00 52.55 54.10 3nd2 s ASP 18 Cb 0.20 -2.39 0.32 0.00 -0.30 0.00 0.00 42.92 40.74 3nd2 s ASP 18 CO 0.46 -0.46 1.81 -0.61 -0.17 0.00 0.00 175.17 176.20 3nd2 h GLN 19 N 7.80 0.96 -0.18 4.34 -0.00 -1.98 -2.43 115.11 123.62 3nd2 h GLN 19 Ca -0.25 -0.19 -0.21 0.00 -0.00 0.00 0.00 58.65 58.00 3nd2 h GLN 19 Cb 1.11 -0.15 0.01 0.00 0.00 0.00 0.00 27.48 28.45 3nd2 h GLN 19 CO 0.83 0.82 -0.72 -0.91 0.00 0.00 0.00 178.83 178.85 3nd2 h ASN 20 N 0.93 0.95 -0.99 -0.69 2.35 -1.98 -1.90 115.58 114.24 3nd2 h ASN 20 Ca 0.21 -0.61 0.05 0.00 -0.55 0.00 0.00 56.30 55.40 3nd2 h ASN 20 Cb 0.27 -0.28 -0.06 0.00 0.05 0.00 0.00 38.32 38.30 3nd2 h ASN 20 CO -0.01 1.40 0.64 0.40 -1.65 0.00 0.00 177.43 178.21 3nd2 h ILE 21 N 0.55 1.12 0.48 2.81 2.04 -1.92 -2.62 117.51 119.97 3nd2 h ILE 21 Ca -0.04 -0.41 -0.02 0.00 1.00 0.00 0.00 64.86 65.39 3nd2 h ILE 21 Cb 1.35 -0.18 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3nd2 h ILE 21 CO 0.15 0.22 -0.23 0.03 0.00 0.00 0.00 178.15 178.32 3nd2 h ARG 22 N 1.19 -0.62 -0.77 2.37 3.08 -1.16 -1.51 114.38 116.97 3nd2 h ARG 22 Ca 0.41 0.04 0.05 0.00 0.07 0.00 0.00 59.98 60.55 3nd2 h ARG 22 Cb 0.10 0.14 -0.05 0.00 0.08 0.00 0.00 29.97 30.24 3nd2 h ARG 22 CO -0.15 -0.40 0.47 1.25 -1.07 0.00 0.00 179.97 180.07 3nd2 h LEU 23 N -0.66 0.75 -0.45 3.04 5.85 -1.32 -0.33 115.31 122.19 3nd2 h LEU 23 Ca -0.07 0.01 -0.06 0.00 0.84 0.00 0.00 57.88 58.61 3nd2 h LEU 23 Cb 0.50 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.37 3nd2 h LEU 23 CO 0.11 0.50 0.06 0.74 -0.34 0.00 0.00 178.44 179.51 3nd2 h THR 24 N 0.89 1.25 -0.38 1.05 2.02 -1.40 -0.30 112.91 116.04 3nd2 h THR 24 Ca 0.32 -0.93 -0.12 0.00 0.77 0.00 0.00 66.41 66.45 3nd2 h THR 24 Cb 0.09 0.98 -0.01 0.00 -1.74 0.00 0.00 68.15 67.47 3nd2 h THR 24 CO -0.14 0.33 -0.23 0.28 0.37 0.00 0.00 175.52 176.12 3nd2 h SER 25 N 0.62 0.86 -0.37 4.18 0.02 -1.04 0.47 113.55 118.29 3nd2 h SER 25 Ca 0.14 -0.42 0.05 0.00 -0.84 0.00 0.00 61.79 60.71 3nd2 h SER 25 Cb 0.41 -0.24 -0.05 0.00 0.14 0.00 0.00 62.40 62.66 3nd2 h SER 25 CO 0.01 1.10 0.10 -0.08 -1.14 0.00 0.00 176.83 176.82 3nd2 h GLU 26 N 0.63 0.22 -0.35 3.45 4.81 -0.98 -1.32 114.58 121.05 3nd2 h GLU 26 Ca 0.08 -0.01 -0.09 0.00 -0.13 0.00 0.00 59.36 59.21 3nd2 h GLU 26 Cb 0.80 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 30.12 3nd2 h GLU 26 CO 0.07 0.15 -0.13 1.15 -0.73 0.00 0.00 179.01 179.51 3nd2 h THR 27 N 0.23 1.28 -0.52 0.32 2.02 -0.93 -2.24 112.91 113.08 3nd2 h THR 27 Ca 0.17 -1.22 0.00 0.00 0.77 0.00 0.00 66.41 66.13 3nd2 h THR 27 Cb 0.18 1.35 -0.03 0.00 -1.74 0.00 0.00 68.15 67.92 3nd2 h THR 27 CO -0.21 0.40 0.33 -0.61 0.37 0.00 0.00 175.52 175.80 3nd2 h GLN 28 N 0.48 0.69 -0.86 6.66 4.15 -0.77 -1.74 115.11 123.72 3nd2 h GLN 28 Ca 0.08 -0.05 -0.03 0.00 0.77 0.00 0.00 58.65 59.42 3nd2 h GLN 28 Cb 0.65 -0.15 -0.04 0.00 0.21 0.00 0.00 27.48 28.15 3nd2 h GLN 28 CO 0.04 0.47 0.42 -0.07 -1.93 0.00 0.00 178.83 177.77 3nd2 h LEU 29 N 0.70 1.12 -0.53 -2.39 3.38 -1.18 -0.55 115.31 115.87 3nd2 h LEU 29 Ca 0.19 -0.13 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3nd2 h LEU 29 Cb -0.06 -0.29 -0.02 0.00 0.09 0.00 0.00 40.66 40.39 3nd2 h LEU 29 CO -0.04 0.94 0.05 0.50 0.09 0.00 0.00 178.44 179.98 3nd2 h LYS 30 N 1.22 0.89 -0.69 1.13 1.63 -1.17 0.60 116.57 120.18 3nd2 h LYS 30 Ca 0.30 -0.26 0.02 0.00 -0.85 0.00 0.00 60.65 59.86 3nd2 h LYS 30 Cb 0.11 -0.10 -0.04 0.00 -0.60 0.00 0.00 32.23 31.60 3nd2 h LYS 30 CO -0.04 0.89 0.44 -0.22 -3.45 0.00 0.00 179.45 177.07 3nd2 h LYS 31 N 0.77 0.84 -0.64 1.90 3.64 -1.06 -1.29 116.57 120.73 3nd2 h LYS 31 Ca 0.16 -0.05 -0.09 0.00 -1.27 0.00 0.00 60.65 59.39 3nd2 h LYS 31 Cb 0.45 -0.19 -0.02 0.00 -0.41 0.00 0.00 32.23 32.06 3nd2 h LYS 31 CO 0.02 0.56 0.05 1.25 -2.27 0.00 0.00 179.45 179.05 3nd2 h LEU 32 N 0.87 1.07 -1.44 5.20 5.85 -0.64 0.35 115.31 126.57 3nd2 h LEU 32 Ca 0.27 -0.29 -0.05 0.00 0.84 0.00 0.00 57.88 58.65 3nd2 h LEU 32 Cb -0.02 -0.29 -0.01 0.00 0.37 0.00 0.00 40.66 40.71 3nd2 h LEU 32 CO -0.09 1.09 -0.25 0.77 -0.34 0.00 0.00 178.44 179.62 3nd2 h SER 33 N 1.02 0.00 0.11 1.25 4.64 -0.66 -2.34 113.55 117.57 3nd2 h SER 33 Ca 0.19 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 61.18 3nd2 h SER 33 Cb 0.51 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.59 3nd2 h SER 33 CO 0.02 0.25 -1.77 0.78 -0.87 0.00 0.00 176.83 175.25 3nd2 h ASN 34 N 0.00 0.36 0.03 4.97 2.35 -0.76 -3.30 115.58 119.23 3nd2 h ASN 34 Ca -0.00 -0.86 -0.00 0.00 -0.55 0.00 0.00 56.30 54.88 3nd2 h ASN 34 Cb 0.58 -0.12 0.00 0.00 0.05 0.00 0.00 38.32 38.83 3nd2 h ASN 34 CO 0.03 1.76 -0.01 0.44 -1.65 0.00 0.00 177.43 178.00 3nd2 h ASP 35 N -0.16 -0.03 -2.67 5.81 5.19 -0.37 -3.42 116.42 120.76 3nd2 h ASP 35 Ca -0.39 -0.63 -0.59 0.00 -0.62 0.00 0.00 57.03 54.80 3nd2 h ASP 35 Cb 1.88 0.01 -0.39 0.00 0.18 0.00 0.00 39.33 41.01 3nd2 h ASP 35 CO 0.04 0.65 -0.87 0.21 -3.12 0.00 0.00 179.24 176.15 3nd2 s ASN 36 N -5.83 2.53 0.15 6.45 3.84 -0.88 -5.00 114.94 116.20 3nd2 s ASN 36 Ca -0.16 -2.79 -0.13 0.00 0.21 0.00 0.00 52.86 49.99 3nd2 s ASN 36 Cb -0.00 -0.61 0.01 0.00 -0.55 0.00 0.00 41.25 40.09 3nd2 s ASN 36 CO 0.63 -0.22 1.59 0.15 -2.79 0.00 0.00 177.10 176.46 3nd2 h PHE 37 N 6.22 0.92 -0.86 0.43 3.57 -1.64 -2.25 116.94 123.32 3nd2 h PHE 37 Ca 0.15 -0.16 0.11 0.00 3.53 0.00 0.00 57.97 61.60 3nd2 h PHE 37 Cb 0.92 -0.24 -0.13 0.00 2.79 0.00 0.00 35.95 39.29 3nd2 h PHE 37 CO 0.39 0.88 -0.47 1.25 -2.23 0.00 0.00 178.31 178.13 3nd2 h LEU 38 N 0.70 -1.70 -0.90 0.59 6.46 -1.91 0.14 115.31 118.70 3nd2 h LEU 38 Ca 0.13 0.30 -0.09 0.00 -0.12 0.00 0.00 57.88 58.10 3nd2 h LEU 38 Cb 0.51 0.80 -0.02 0.00 -0.73 0.00 0.00 40.66 41.23 3nd2 h LEU 38 CO 0.03 -0.29 -0.15 -0.61 -0.62 0.00 0.00 178.44 176.80 3nd2 h GLN 39 N -0.08 0.65 -0.39 1.25 4.15 -1.88 0.82 115.11 119.64 3nd2 h GLN 39 Ca 0.23 -0.22 -0.01 0.00 0.77 0.00 0.00 58.65 59.42 3nd2 h GLN 39 Cb 0.53 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 28.15 3nd2 h GLN 39 CO -0.88 0.77 0.18 0.35 -1.93 0.00 0.00 178.83 177.33 3nd2 h PHE 40 N 0.59 0.56 -0.05 3.99 3.57 -0.69 -1.26 116.94 123.64 3nd2 h PHE 40 Ca 0.10 -0.03 -0.20 0.00 3.53 0.00 0.00 57.97 61.37 3nd2 h PHE 40 Cb 0.59 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.16 3nd2 h PHE 40 CO 0.03 0.47 -0.81 0.00 -2.23 0.00 0.00 178.31 175.76 3nd2 h ALA 41 N 1.03 0.50 0.38 2.41 0.00 -0.48 -2.31 119.26 120.79 3nd2 h ALA 41 Ca 0.13 -0.65 -0.02 0.00 0.00 0.00 0.00 54.91 54.38 3nd2 h ALA 41 Cb 0.12 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.87 3nd2 h ALA 41 CO -0.02 0.78 -0.18 0.78 0.00 0.00 0.00 179.25 180.62 3nd2 h GLY 42 N 1.26 -0.53 1.14 0.00 0.00 -0.77 -2.33 103.07 101.84 3nd2 h GLY 42 Ca -0.05 0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.45 3nd2 h GLY 42 CO 0.14 -0.19 0.36 1.41 0.00 0.00 0.00 176.54 178.25 3nd2 h LEU 43 N -0.70 1.00 -0.44 3.11 3.38 -1.28 -1.97 115.31 118.41 3nd2 h LEU 43 Ca -0.05 -0.12 0.07 0.00 0.09 0.00 0.00 57.88 57.87 3nd2 h LEU 43 Cb 0.49 -0.26 -0.06 0.00 0.09 0.00 0.00 40.66 40.92 3nd2 h LEU 43 CO 0.09 0.86 0.07 0.28 0.09 0.00 0.00 178.44 179.82 3nd2 h SER 44 N 1.09 -0.03 0.15 -0.43 0.02 -1.38 -0.39 113.55 112.58 3nd2 h SER 44 Ca 0.26 0.08 -0.09 0.00 -0.84 0.00 0.00 61.79 61.21 3nd2 h SER 44 Cb 0.13 0.12 -0.01 0.00 0.14 0.00 0.00 62.40 62.78 3nd2 h SER 44 CO -0.03 0.02 -0.31 0.77 -1.14 0.00 0.00 176.83 176.14 3nd2 h SER 45 N 0.20 0.25 0.70 3.07 4.64 -0.81 -1.83 113.55 119.76 3nd2 h SER 45 Ca 0.22 -0.08 0.00 0.00 -0.47 0.00 0.00 61.79 61.45 3nd2 h SER 45 Cb 0.29 -0.07 0.00 0.00 -0.31 0.00 0.00 62.40 62.31 3nd2 h SER 45 CO -0.30 0.55 -0.61 0.00 -0.87 0.00 0.00 176.83 175.61 3nd2 n GLN 46 N -4.11 0.18 -0.01 4.77 10.64 -0.81 -3.01 117.38 125.03 3nd2 n GLN 46 Ca -0.01 0.05 -0.17 0.00 -1.83 0.00 0.00 57.00 55.04 3nd2 n GLN 46 Cb 0.40 -1.61 -0.09 0.00 -0.86 0.00 0.00 30.24 28.09 3nd2 n GLN 46 CO 0.00 0.00 0.00 0.28 -1.83 0.00 0.00 177.06 175.51 3nd2 h VAL 47 N 0.00 1.36 -0.94 -0.39 2.07 -0.92 -3.05 116.25 114.38 3nd2 h VAL 47 Ca 0.00 -1.93 0.17 0.00 0.82 0.00 0.00 66.70 65.76 3nd2 h VAL 47 Cb 0.65 2.28 -0.08 0.00 -1.52 0.00 0.00 31.29 32.62 3nd2 h VAL 47 CO 0.00 0.58 0.60 0.25 0.02 0.00 0.00 177.57 179.02 3nd2 h LEU 48 N 0.13 0.64 -2.43 2.57 5.85 -1.33 -1.86 115.31 118.88 3nd2 h LEU 48 Ca -0.05 0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.73 3nd2 h LEU 48 Cb 1.26 -0.06 0.00 0.00 0.37 0.00 0.00 40.66 42.22 3nd2 h LEU 48 CO 0.12 0.28 0.00 2.30 -0.34 0.00 0.00 178.44 180.80 3nd2 n ILE 49 N -4.61 0.62 -2.44 4.05 -5.35 -1.17 -4.89 119.36 105.57 3nd2 n ILE 49 Ca 0.20 -0.81 -0.42 0.00 -0.27 0.00 0.00 62.75 61.45 3nd2 n ILE 49 Cb 0.56 0.88 -0.03 0.00 -1.74 0.00 0.00 39.64 39.31 3nd2 n ILE 49 CO 0.00 0.00 0.00 -0.62 -1.76 0.00 0.00 176.55 174.17 3nd2 s ASP 50 N -1.35 6.21 0.00 7.28 2.15 -0.70 -4.86 116.67 125.39 3nd2 s ASP 50 Ca 0.40 0.23 0.14 0.00 0.43 0.00 0.00 52.55 53.75 3nd2 s ASP 50 Cb 0.23 -2.55 0.75 0.00 -0.30 0.00 0.00 42.92 41.05 3nd2 s ASP 50 CO 0.31 -1.66 1.36 -0.62 -0.17 0.00 0.00 175.17 174.40 3nd2 n GLU 51 N 8.63 0.26 -0.00 4.34 -0.58 -1.26 -2.30 120.64 129.72 3nd2 n GLU 51 Ca 0.11 0.12 0.09 0.00 -0.42 0.00 0.00 57.16 57.06 3nd2 n GLU 51 Cb 0.49 -1.50 -0.12 0.00 -0.57 0.00 0.00 31.44 29.74 3nd2 n GLU 51 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 3nd2 n ASN 52 N -1.22 0.79 -4.80 1.62 3.02 -1.26 -4.92 115.26 108.49 3nd2 n ASN 52 Ca 0.08 -0.67 -0.39 0.00 -0.03 0.00 0.00 54.58 53.57 3nd2 n ASN 52 Cb 0.10 1.26 -0.06 0.00 -0.61 0.00 0.00 39.78 40.47 3nd2 n ASN 52 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3nd2 s THR 53 N -2.95 4.80 0.75 3.41 2.01 -0.97 -5.07 115.64 117.61 3nd2 s THR 53 Ca 0.03 1.21 -0.14 0.00 0.31 0.00 0.00 61.69 63.09 3nd2 s THR 53 Cb 0.14 -3.90 0.05 0.00 0.01 0.00 0.00 72.50 68.80 3nd2 s THR 53 CO 0.78 0.52 1.18 -0.54 -0.69 0.00 0.00 174.62 175.88 3nd2 s LYS 54 N -0.85 2.09 0.15 4.92 1.02 -1.26 -4.74 119.74 121.06 3nd2 s LYS 54 Ca 0.29 1.67 -0.26 0.00 0.02 0.00 0.00 55.97 57.69 3nd2 s LYS 54 Cb -0.19 -1.84 -0.00 0.00 -0.52 0.00 0.00 37.83 35.28 3nd2 s LYS 54 CO 0.18 -1.85 1.59 -0.07 -0.92 0.00 0.00 175.35 174.28 3nd2 h LEU 55 N -0.47 -1.20 -1.51 3.17 3.38 -1.97 -2.21 115.31 114.50 3nd2 h LEU 55 Ca -0.47 0.18 -0.05 0.00 0.09 0.00 0.00 57.88 57.64 3nd2 h LEU 55 Cb 1.28 0.52 -0.01 0.00 0.09 0.00 0.00 40.66 42.55 3nd2 h LEU 55 CO 0.49 -0.37 -0.22 -0.33 0.09 0.00 0.00 178.44 178.11 3nd2 h GLU 56 N -0.36 0.00 -0.37 1.13 5.08 -1.98 0.32 114.58 118.40 3nd2 h GLU 56 Ca 0.12 0.00 -0.15 0.00 -1.00 0.00 0.00 59.36 58.33 3nd2 h GLU 56 Cb 0.57 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.82 3nd2 h GLU 56 CO -0.47 0.22 -0.38 0.78 -1.00 0.00 0.00 179.01 178.16 3nd2 h GLY 57 N 1.29 0.95 1.08 -3.84 0.00 -1.78 0.18 103.07 100.94 3nd2 h GLY 57 Ca -0.00 -0.96 -0.11 0.00 0.00 0.00 0.00 47.33 46.26 3nd2 h GLY 57 CO 0.03 0.87 -0.14 3.21 0.00 0.00 0.00 176.54 180.51 3nd2 h ARG 58 N 0.72 0.97 -0.58 4.80 3.08 -0.83 -2.11 114.38 120.43 3nd2 h ARG 58 Ca 0.06 -0.38 -0.10 0.00 0.07 0.00 0.00 59.98 59.63 3nd2 h ARG 58 Cb 0.95 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.93 3nd2 h ARG 58 CO 0.09 1.05 -0.05 0.82 -1.07 0.00 0.00 179.97 180.81 3nd2 h ILE 59 N 0.83 1.27 -0.63 2.04 2.04 -0.91 -2.94 117.51 119.21 3nd2 h ILE 59 Ca 0.12 -1.21 0.01 0.00 1.00 0.00 0.00 64.86 64.79 3nd2 h ILE 59 Cb 0.70 0.88 -0.03 0.00 -0.74 0.00 0.00 36.82 37.63 3nd2 h ILE 59 CO 0.05 0.43 0.41 0.25 0.00 0.00 0.00 178.15 179.30 3nd2 h LEU 60 N 0.94 0.70 -0.84 1.44 5.85 -0.62 -2.22 115.31 120.57 3nd2 h LEU 60 Ca 0.16 -0.02 0.08 0.00 0.84 0.00 0.00 57.88 58.94 3nd2 h LEU 60 Cb 0.62 -0.17 -0.07 0.00 0.37 0.00 0.00 40.66 41.41 3nd2 h LEU 60 CO 0.04 0.51 0.50 0.00 -0.34 0.00 0.00 178.44 179.15 3nd2 h ALA 61 N 1.24 1.19 -0.16 1.25 0.00 -1.24 -0.18 119.26 121.35 3nd2 h ALA 61 Ca 0.23 0.01 -0.05 0.00 0.00 0.00 0.00 54.91 55.11 3nd2 h ALA 61 Cb -0.08 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.53 3nd2 h ALA 61 CO -0.06 0.18 -0.08 0.00 0.00 0.00 0.00 179.25 179.29 3nd2 h ALA 62 N 1.43 0.23 0.00 0.00 0.00 -1.35 -2.58 119.26 117.00 3nd2 h ALA 62 Ca 0.39 -0.28 -0.08 0.00 0.00 0.00 0.00 54.91 54.95 3nd2 h ALA 62 Cb 0.28 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3nd2 h ALA 62 CO -0.22 0.04 -0.37 -0.07 0.00 0.00 0.00 179.25 178.63 3nd2 h LEU 63 N 0.02 0.00 0.01 0.00 3.38 -1.15 -0.67 115.31 116.90 3nd2 h LEU 63 Ca 0.04 0.00 -0.22 0.00 0.09 0.00 0.00 57.88 57.79 3nd2 h LEU 63 Cb 0.56 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.28 3nd2 h LEU 63 CO 0.02 0.37 -1.06 0.71 0.09 0.00 0.00 178.44 178.58 3nd2 h THR 64 N 0.00 1.65 -0.01 0.22 1.35 -1.10 -2.38 112.91 112.64 3nd2 h THR 64 Ca -0.00 -3.36 -0.00 0.00 -0.55 0.00 0.00 66.41 62.49 3nd2 h THR 64 Cb 1.07 2.82 -0.00 0.00 -1.73 0.00 0.00 68.15 70.32 3nd2 h THR 64 CO 0.05 0.94 -0.01 0.25 -0.25 0.00 0.00 175.52 176.50 3nd2 h LEU 65 N 0.00 0.02 -1.18 3.87 5.85 -1.30 -2.97 115.31 119.61 3nd2 h LEU 65 Ca -0.03 -0.44 0.19 0.00 0.84 0.00 0.00 57.88 58.44 3nd2 h LEU 65 Cb 1.80 -0.01 -0.09 0.00 0.37 0.00 0.00 40.66 42.73 3nd2 h LEU 65 CO 0.13 0.46 0.61 0.50 -0.34 0.00 0.00 178.44 179.80 3nd2 h LYS 66 N -0.41 0.64 -0.00 1.25 3.64 -1.19 0.14 116.57 120.64 3nd2 h LYS 66 Ca 0.00 -0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.34 3nd2 h LYS 66 Cb 0.45 -0.14 0.00 0.00 -0.41 0.00 0.00 32.23 32.13 3nd2 h LYS 66 CO 0.00 0.42 -0.01 0.09 -2.27 0.00 0.00 179.45 177.69 3nd2 n ASN 67 N -4.67 0.03 -0.85 4.20 3.02 -0.90 -1.75 115.26 114.35 3nd2 n ASN 67 Ca 0.22 -0.46 0.10 0.00 -0.03 0.00 0.00 54.58 54.41 3nd2 n ASN 67 Cb 0.61 -0.18 0.13 0.00 -0.61 0.00 0.00 39.78 39.73 3nd2 n ASN 67 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3nd2 n GLU 68 N -1.17 1.94 -0.02 3.52 -0.58 0.47 -4.44 120.64 120.36 3nd2 n GLU 68 Ca 0.18 -1.84 -0.01 0.00 -0.42 0.00 0.00 57.16 55.06 3nd2 n GLU 68 Cb 0.20 -1.39 -0.05 0.00 -0.57 0.00 0.00 31.44 29.63 3nd2 n GLU 68 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 3nd2 n LEU 69 N 1.12 0.00 -3.93 -4.62 4.77 -1.01 -4.79 117.00 108.54 3nd2 n LEU 69 Ca 0.13 0.00 -0.16 0.00 -0.03 0.00 0.00 56.01 55.96 3nd2 n LEU 69 Cb 0.50 0.11 -0.15 0.00 -2.33 0.00 0.00 43.42 41.55 3nd2 n LEU 69 CO 0.12 0.11 -0.39 -0.69 -1.33 0.00 0.00 177.39 175.21 3nd2 s VAL 70 N -2.22 0.34 0.08 4.08 1.01 -0.72 -4.32 120.40 118.65 3nd2 s VAL 70 Ca -0.03 -0.17 -0.09 0.00 0.00 0.00 0.00 61.98 61.69 3nd2 s VAL 70 Cb 0.02 -0.31 0.00 0.00 0.00 0.00 0.00 36.38 36.10 3nd2 s VAL 70 CO 0.25 0.11 0.20 -0.55 0.00 0.00 0.00 175.10 175.11 3nd2 s SER 71 N 0.01 0.08 0.05 3.32 0.15 -1.26 -4.53 113.70 111.50 3nd2 s SER 71 Ca 0.00 -0.55 0.26 0.00 0.70 0.00 0.00 55.95 56.36 3nd2 s SER 71 Cb -0.03 0.33 0.61 0.00 -1.71 0.00 0.00 66.02 65.22 3nd2 s SER 71 CO -0.00 -0.69 1.50 0.29 1.20 0.00 0.00 173.24 175.54 3nd2 n LYS 72 N 0.13 0.10 -3.05 5.44 4.76 -1.26 -4.68 118.16 119.60 3nd2 n LYS 72 Ca -0.16 0.04 -0.41 0.00 -2.87 0.00 0.00 58.31 54.91 3nd2 n LYS 72 Cb 0.62 -1.57 -0.06 0.00 -1.84 0.00 0.00 35.03 32.18 3nd2 n LYS 72 CO 0.00 0.00 0.00 0.34 -1.37 0.00 0.00 177.40 176.37 3nd2 s ASP 73 N -3.45 6.67 0.17 4.39 -1.08 -1.26 -4.98 116.67 117.14 3nd2 s ASP 73 Ca 0.10 0.83 -0.14 0.00 -0.52 0.00 0.00 52.55 52.81 3nd2 s ASP 73 Cb 0.16 -2.37 0.07 0.00 -1.46 0.00 0.00 42.92 39.32 3nd2 s ASP 73 CO 0.67 -0.39 1.83 0.77 0.52 0.00 0.00 175.17 178.57 3nd2 h SER 74 N 7.74 0.55 -0.28 -0.34 4.64 -1.95 -0.78 113.55 123.13 3nd2 h SER 74 Ca -0.27 -0.01 -0.06 0.00 -0.47 0.00 0.00 61.79 60.98 3nd2 h SER 74 Cb 1.12 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 63.06 3nd2 h SER 74 CO 0.80 0.40 -0.02 0.58 -0.87 0.00 0.00 176.83 177.71 3nd2 h VAL 75 N 0.66 1.22 -0.26 0.95 2.07 -1.97 -1.52 116.25 117.40 3nd2 h VAL 75 Ca 0.19 -0.92 -0.14 0.00 0.82 0.00 0.00 66.70 66.65 3nd2 h VAL 75 Cb -0.05 0.95 -0.01 0.00 -1.52 0.00 0.00 31.29 30.67 3nd2 h VAL 75 CO -0.05 0.32 -0.43 0.11 0.02 0.00 0.00 177.57 177.53 3nd2 h LYS 76 N 0.59 0.65 -0.47 1.57 1.57 -1.84 -1.49 116.57 117.15 3nd2 h LYS 76 Ca 0.12 -0.35 -0.12 0.00 -1.87 0.00 0.00 60.65 58.43 3nd2 h LYS 76 Cb 0.41 0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.72 3nd2 h LYS 76 CO 0.02 0.95 -0.17 1.15 -0.57 0.00 0.00 179.45 180.83 3nd2 h THR 77 N 0.53 1.27 -0.36 -0.16 2.02 -0.85 0.38 112.91 115.75 3nd2 h THR 77 Ca 0.04 -1.33 -0.04 0.00 0.77 0.00 0.00 66.41 65.86 3nd2 h THR 77 Cb 0.96 1.13 -0.02 0.00 -1.74 0.00 0.00 68.15 68.48 3nd2 h THR 77 CO 0.09 0.46 0.07 1.56 0.37 0.00 0.00 175.52 178.06 3nd2 h GLN 78 N 0.80 0.53 -0.01 6.66 4.20 -1.25 -1.35 115.11 124.69 3nd2 h GLN 78 Ca 0.11 -0.09 -0.14 0.00 0.06 0.00 0.00 58.65 58.59 3nd2 h GLN 78 Cb 0.74 -0.09 0.01 0.00 0.30 0.00 0.00 27.48 28.45 3nd2 h GLN 78 CO 0.06 0.50 -0.56 1.96 -0.67 0.00 0.00 178.83 180.12 3nd2 h GLN 79 N 0.52 0.39 -0.72 1.46 4.20 -1.00 -2.96 115.11 116.99 3nd2 h GLN 79 Ca 0.12 -0.41 -0.03 0.00 0.06 0.00 0.00 58.65 58.39 3nd2 h GLN 79 Cb 0.23 0.11 -0.03 0.00 0.30 0.00 0.00 27.48 28.09 3nd2 h GLN 79 CO -0.00 1.08 0.34 0.74 -0.67 0.00 0.00 178.83 180.32 3nd2 h PHE 80 N -0.14 1.02 -0.40 2.96 0.04 -0.87 -1.88 116.94 117.68 3nd2 h PHE 80 Ca -0.07 -0.04 -0.07 0.00 2.80 0.00 0.00 57.97 60.59 3nd2 h PHE 80 Cb 1.27 -0.32 -0.01 0.00 2.20 0.00 0.00 35.95 39.09 3nd2 h PHE 80 CO 0.15 0.75 -0.03 0.00 -0.60 0.00 0.00 178.31 178.58 3nd2 h ALA 81 N 1.35 0.54 -0.13 2.45 0.00 -1.33 -1.93 119.26 120.21 3nd2 h ALA 81 Ca 0.25 -0.28 -0.09 0.00 0.00 0.00 0.00 54.91 54.79 3nd2 h ALA 81 Cb 0.11 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 3nd2 h ALA 81 CO -0.03 0.35 -0.34 1.96 0.00 0.00 0.00 179.25 181.19 3nd2 h GLN 82 N 0.54 0.26 0.05 0.00 1.08 -1.43 -2.02 115.11 113.60 3nd2 h GLN 82 Ca 0.11 -0.11 -0.00 0.00 -1.45 0.00 0.00 58.65 57.20 3nd2 h GLN 82 Cb 0.52 -0.01 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 3nd2 h GLN 82 CO 0.03 0.57 -0.02 -0.09 -0.95 0.00 0.00 178.83 178.37 3nd2 h ARG 83 N 0.23 -0.06 -0.59 1.46 2.43 -1.23 -1.28 114.38 115.34 3nd2 h ARG 83 Ca 0.03 0.00 0.06 0.00 -0.81 0.00 0.00 59.98 59.26 3nd2 h ARG 83 Cb 0.71 0.01 -0.05 0.00 -0.42 0.00 0.00 29.97 30.22 3nd2 h ARG 83 CO 0.05 0.26 0.31 2.35 -1.51 0.00 0.00 179.97 181.43 3nd2 h TRP 84 N -0.40 0.56 -0.43 2.20 2.91 -1.34 0.42 115.95 119.87 3nd2 h TRP 84 Ca -0.01 0.02 -0.07 0.00 1.13 0.00 0.00 58.89 59.96 3nd2 h TRP 84 Cb 0.36 -0.16 -0.02 0.00 -0.51 0.00 0.00 29.16 28.83 3nd2 h TRP 84 CO 0.04 0.26 -0.01 0.82 -1.03 0.00 0.00 178.44 178.51 3nd2 h ILE 85 N 0.57 1.26 0.00 2.65 2.04 -1.34 -3.17 117.51 119.53 3nd2 h ILE 85 Ca 0.26 -1.06 -0.20 0.00 1.00 0.00 0.00 64.86 64.87 3nd2 h ILE 85 Cb 0.18 1.09 -0.04 0.00 -0.74 0.00 0.00 36.82 37.31 3nd2 h ILE 85 CO -0.18 0.36 -2.02 0.35 0.00 0.00 0.00 178.15 176.66 3nd2 n THR 86 N -4.39 0.75 0.24 -0.27 -2.24 -0.49 -4.57 114.28 103.31 3nd2 n THR 86 Ca -0.00 -0.60 0.11 0.00 -2.27 0.00 0.00 64.05 61.29 3nd2 n THR 86 Cb 0.31 -0.34 -0.05 0.00 -2.10 0.00 0.00 70.33 68.15 3nd2 n THR 86 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nd2 n GLN 87 N -2.44 0.50 -4.20 -0.78 1.13 0.14 -4.85 117.38 106.89 3nd2 n GLN 87 Ca -0.19 -0.02 -0.34 0.00 -1.94 0.00 0.00 57.00 54.51 3nd2 n GLN 87 Cb 0.84 -1.65 -0.11 0.00 0.11 0.00 0.00 30.24 29.44 3nd2 n GLN 87 CO 0.00 0.00 0.00 0.08 -1.44 0.00 0.00 177.06 175.70 3nd2 s VAL 88 N -3.35 4.32 0.60 5.09 1.01 -1.20 -4.35 120.40 122.52 3nd2 s VAL 88 Ca -0.01 -0.20 -0.18 0.00 0.00 0.00 0.00 61.98 61.58 3nd2 s VAL 88 Cb 0.13 -2.93 -0.03 0.00 0.00 0.00 0.00 36.38 33.55 3nd2 s VAL 88 CO 0.83 0.47 1.17 -0.94 0.00 0.00 0.00 175.10 176.64 3nd2 s SER 89 N 0.40 5.27 0.51 3.32 1.04 -1.26 -4.81 113.70 118.17 3nd2 s SER 89 Ca -0.00 2.28 0.16 0.00 0.48 0.00 0.00 55.95 58.87 3nd2 s SER 89 Cb -0.13 -2.59 1.25 0.00 0.10 0.00 0.00 66.02 64.65 3nd2 s SER 89 CO 0.02 -1.53 2.12 1.55 0.98 0.00 0.00 173.24 176.37 3nd2 h PRO 90 N 0.80 0.06 -0.26 4.02 0.13 -1.96 -0.02 132.00 134.77 3nd2 h PRO 90 Ca -0.50 -0.00 -0.11 0.00 -0.87 0.00 0.00 66.00 64.52 3nd2 h PRO 90 Cb 1.28 -0.01 -0.00 0.00 0.13 0.00 0.00 31.00 32.39 3nd2 h PRO 90 CO 0.55 0.04 -0.26 0.93 -0.23 0.00 0.00 178.00 179.03 3nd2 h GLU 91 N 0.06 0.63 -0.33 0.86 3.07 -1.99 -1.26 114.58 115.62 3nd2 h GLU 91 Ca 0.06 -0.33 -0.05 0.00 -0.50 0.00 0.00 59.36 58.53 3nd2 h GLU 91 Cb 0.15 0.01 -0.01 0.00 -0.84 0.00 0.00 28.75 28.06 3nd2 h GLU 91 CO -0.01 0.94 0.02 0.00 -1.40 0.00 0.00 179.01 178.56 3nd2 h ALA 92 N 0.68 0.44 -0.97 3.43 0.00 -1.77 -2.40 119.26 118.67 3nd2 h ALA 92 Ca 0.04 -0.23 0.15 0.00 0.00 0.00 0.00 54.91 54.87 3nd2 h ALA 92 Cb 0.82 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.40 3nd2 h ALA 92 CO 0.06 0.18 0.59 0.87 0.00 0.00 0.00 179.25 180.95 3nd2 h LYS 93 N 0.38 0.81 -0.68 0.00 1.57 -1.04 -0.94 116.57 116.67 3nd2 h LYS 93 Ca 0.09 -0.05 -0.01 0.00 -1.87 0.00 0.00 60.65 58.82 3nd2 h LYS 93 Cb 0.41 -0.18 -0.03 0.00 0.08 0.00 0.00 32.23 32.51 3nd2 h LYS 93 CO 0.01 0.54 0.39 -0.91 -0.57 0.00 0.00 179.45 178.91 3nd2 h ASN 94 N 0.83 0.83 -0.33 0.86 2.35 -0.91 -0.98 115.58 118.23 3nd2 h ASN 94 Ca 0.52 -0.08 -0.11 0.00 -0.55 0.00 0.00 56.30 56.09 3nd2 h ASN 94 Cb 0.67 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.83 3nd2 h ASN 94 CO -0.33 0.66 -0.22 1.56 -1.65 0.00 0.00 177.43 177.45 3nd2 h GLN 95 N 0.93 0.73 -0.52 0.81 1.08 -0.83 -0.70 115.11 116.62 3nd2 h GLN 95 Ca 0.24 -0.35 -0.02 0.00 -1.45 0.00 0.00 58.65 57.07 3nd2 h GLN 95 Cb -0.00 -0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.40 3nd2 h GLN 95 CO -0.04 0.96 0.25 0.82 -0.95 0.00 0.00 178.83 179.86 3nd2 h ILE 96 N 0.50 1.20 -0.16 2.54 2.04 -1.13 0.19 117.51 122.68 3nd2 h ILE 96 Ca 0.06 -0.57 -0.01 0.00 1.00 0.00 0.00 64.86 65.35 3nd2 h ILE 96 Cb 0.78 0.61 -0.01 0.00 -0.74 0.00 0.00 36.82 37.46 3nd2 h ILE 96 CO 0.06 0.22 0.07 0.11 0.00 0.00 0.00 178.15 178.61 3nd2 h LYS 97 N 0.69 0.23 -0.91 2.37 1.57 -1.13 0.26 116.57 119.66 3nd2 h LYS 97 Ca 0.18 -0.04 0.06 0.00 -1.87 0.00 0.00 60.65 58.98 3nd2 h LYS 97 Cb 0.13 -0.04 -0.06 0.00 0.08 0.00 0.00 32.23 32.33 3nd2 h LYS 97 CO -0.02 0.29 0.57 1.15 -0.57 0.00 0.00 179.45 180.87 3nd2 h THR 98 N 0.12 1.07 -0.44 -0.16 2.02 -0.94 0.11 112.91 114.68 3nd2 h THR 98 Ca 0.05 -0.36 -0.14 0.00 0.77 0.00 0.00 66.41 66.73 3nd2 h THR 98 Cb 0.14 -0.07 -0.01 0.00 -1.74 0.00 0.00 68.15 66.47 3nd2 h THR 98 CO -0.01 0.19 -0.28 0.78 0.37 0.00 0.00 175.52 176.58 3nd2 h ASN 99 N 1.05 0.99 -0.77 4.18 2.35 -0.35 -1.06 115.58 121.97 3nd2 h ASN 99 Ca 0.39 -0.40 -0.01 0.00 -0.55 0.00 0.00 56.30 55.72 3nd2 h ASN 99 Cb 0.14 -0.28 -0.04 0.00 0.05 0.00 0.00 38.32 38.20 3nd2 h ASN 99 CO -0.16 1.20 0.43 0.00 -1.65 0.00 0.00 177.43 177.24 3nd2 h ALA 100 N 0.86 0.99 -0.03 -0.83 0.00 -0.24 -0.98 119.26 119.03 3nd2 h ALA 100 Ca 0.09 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.79 3nd2 h ALA 100 Cb 0.86 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.33 3nd2 h ALA 100 CO 0.08 0.49 -0.44 -0.07 0.00 0.00 0.00 179.25 179.31 3nd2 h LEU 101 N 1.07 0.06 -0.33 0.00 3.38 -0.85 -1.13 115.31 117.51 3nd2 h LEU 101 Ca 0.27 -0.03 -0.07 0.00 0.09 0.00 0.00 57.88 58.15 3nd2 h LEU 101 Cb 0.02 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 3nd2 h LEU 101 CO -0.05 0.50 -0.07 0.74 0.09 0.00 0.00 178.44 179.66 3nd2 h THR 102 N 0.05 1.28 -0.21 0.22 2.02 -0.83 -3.25 112.91 112.19 3nd2 h THR 102 Ca 0.00 -1.10 -0.12 0.00 0.77 0.00 0.00 66.41 65.96 3nd2 h THR 102 Cb 0.80 1.31 -0.01 0.00 -1.74 0.00 0.00 68.15 68.51 3nd2 h THR 102 CO 0.06 0.36 -0.37 0.00 0.37 0.00 0.00 175.52 175.94 3nd2 h ALA 103 N 0.82 0.97 -1.04 6.16 0.00 -1.00 -2.77 119.26 122.40 3nd2 h ALA 103 Ca 0.09 -0.41 0.26 0.00 0.00 0.00 0.00 54.91 54.85 3nd2 h ALA 103 Cb 0.55 -0.11 -0.10 0.00 0.00 0.00 0.00 17.79 18.14 3nd2 h ALA 103 CO 0.03 0.61 0.66 1.25 0.00 0.00 0.00 179.25 181.81 3nd2 h LEU 104 N 0.39 0.47 -1.37 0.00 5.85 -1.24 -1.36 115.31 118.05 3nd2 h LEU 104 Ca 0.04 0.09 0.00 0.00 0.84 0.00 0.00 57.88 58.85 3nd2 h LEU 104 Cb 0.83 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.87 3nd2 h LEU 104 CO 0.07 0.09 0.00 1.33 -0.34 0.00 0.00 178.44 179.59 3nd2 n VAL 105 N -4.65 0.29 -1.64 1.05 0.24 -1.04 -4.63 118.33 107.95 3nd2 n VAL 105 Ca 0.25 -0.44 -0.44 0.00 -2.04 0.00 0.00 64.34 61.68 3nd2 n VAL 105 Cb 0.87 0.49 -0.01 0.00 -1.47 0.00 0.00 33.84 33.71 3nd2 n VAL 105 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 3nd2 n SER 106 N 0.58 1.92 0.00 -1.34 2.88 -0.51 -4.81 113.62 112.33 3nd2 n SER 106 Ca 0.16 1.19 0.14 0.00 -1.33 0.00 0.00 58.87 59.03 3nd2 n SER 106 Cb 0.38 -1.37 0.76 0.00 -0.75 0.00 0.00 64.21 63.24 3nd2 n SER 106 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 3nd2 n ILE 107 N 0.26 0.06 -3.31 2.46 0.00 -1.26 -4.49 119.36 113.08 3nd2 n ILE 107 Ca 0.07 0.02 -0.44 0.00 0.00 0.00 0.00 62.75 62.40 3nd2 n ILE 107 Cb 0.34 -0.57 -0.07 0.00 0.00 0.00 0.00 39.64 39.33 3nd2 n ILE 107 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 3nd2 s GLU 108 N -2.27 3.04 0.58 9.51 2.56 -1.26 -4.97 118.70 125.89 3nd2 s GLU 108 Ca 0.34 -1.11 0.28 0.00 0.00 0.00 0.00 54.97 54.48 3nd2 s GLU 108 Cb 0.19 -4.09 1.64 0.00 2.00 0.00 0.00 34.13 33.86 3nd2 s GLU 108 CO 0.37 -1.06 2.13 -1.00 -0.56 0.00 0.00 175.26 175.14 3nd2 h PRO 109 N 8.83 0.00 -0.12 4.30 0.13 -1.99 -1.37 132.00 141.77 3nd2 h PRO 109 Ca -0.28 0.00 -0.18 0.00 -0.87 0.00 0.00 66.00 64.68 3nd2 h PRO 109 Cb 1.11 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.23 3nd2 h PRO 109 CO 0.89 0.00 -0.66 0.00 -0.23 0.00 0.00 178.00 178.00 3nd2 h ARG 110 N 0.00 0.47 -0.03 0.86 3.08 -1.94 -2.05 114.38 114.77 3nd2 h ARG 110 Ca 0.07 -0.35 -0.01 0.00 0.07 0.00 0.00 59.98 59.76 3nd2 h ARG 110 Cb 0.38 0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.49 3nd2 h ARG 110 CO -0.00 0.97 -0.03 0.82 -1.07 0.00 0.00 179.97 180.66 3nd2 h ILE 111 N 0.34 1.39 -0.05 2.04 1.08 -1.64 -2.85 117.51 117.81 3nd2 h ILE 111 Ca -0.02 -1.20 0.01 0.00 -0.39 0.00 0.00 64.86 63.27 3nd2 h ILE 111 Cb 1.22 2.13 -0.00 0.00 -3.07 0.00 0.00 36.82 37.10 3nd2 h ILE 111 CO 0.12 0.32 0.11 0.00 -0.69 0.00 0.00 178.15 178.01 3nd2 h ALA 112 N 0.52 1.36 0.05 1.87 0.00 -1.30 -1.41 119.26 120.35 3nd2 h ALA 112 Ca 0.00 -0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.77 3nd2 h ALA 112 Cb 0.54 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 18.33 3nd2 h ALA 112 CO 0.01 -0.13 -0.71 -0.97 0.00 0.00 0.00 179.25 177.45 3nd2 h ASN 113 N 0.00 0.16 -0.53 0.00 -0.73 -1.33 -2.23 115.58 110.93 3nd2 h ASN 113 Ca 0.02 -0.86 -0.07 0.00 1.87 0.00 0.00 56.30 57.27 3nd2 h ASN 113 Cb 0.24 -0.05 -0.02 0.00 0.27 0.00 0.00 38.32 38.76 3nd2 h ASN 113 CO -0.00 1.30 0.07 0.00 -0.37 0.00 0.00 177.43 178.43 3nd2 h ALA 114 N -0.10 0.70 -0.85 1.57 0.00 -1.24 -2.06 119.26 117.29 3nd2 h ALA 114 Ca -0.16 -0.25 0.12 0.00 0.00 0.00 0.00 54.91 54.62 3nd2 h ALA 114 Cb 1.34 -0.20 -0.08 0.00 0.00 0.00 0.00 17.79 18.85 3nd2 h ALA 114 CO -0.01 0.45 0.47 0.00 0.00 0.00 0.00 179.25 180.17 3nd2 h ALA 115 N 0.98 1.25 -0.51 0.00 0.00 -1.38 -1.01 119.26 118.59 3nd2 h ALA 115 Ca 0.16 0.05 0.04 0.00 0.00 0.00 0.00 54.91 55.17 3nd2 h ALA 115 Cb 0.43 -0.09 -0.04 0.00 0.00 0.00 0.00 17.79 18.08 3nd2 h ALA 115 CO 0.01 0.03 0.26 0.00 0.00 0.00 0.00 179.25 179.55 3nd2 h ALA 116 N 1.51 0.65 -0.67 0.00 0.00 -0.75 0.13 119.26 120.14 3nd2 h ALA 116 Ca 0.44 0.02 -0.07 0.00 0.00 0.00 0.00 54.91 55.29 3nd2 h ALA 116 Cb 0.50 -0.07 -0.03 0.00 0.00 0.00 0.00 17.79 18.19 3nd2 h ALA 116 CO -0.30 -0.09 0.13 1.96 0.00 0.00 0.00 179.25 180.95 3nd2 h GLN 117 N 0.51 1.09 -0.16 0.00 4.20 -1.01 -2.18 115.11 117.57 3nd2 h GLN 117 Ca 0.22 -0.28 -0.03 0.00 0.06 0.00 0.00 58.65 58.62 3nd2 h GLN 117 Cb 0.13 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 3nd2 h GLN 117 CO -0.16 0.99 -0.02 1.25 -0.67 0.00 0.00 178.83 180.23 3nd2 h LEU 118 N 1.02 0.29 -0.95 1.46 5.85 -0.63 -1.86 115.31 120.48 3nd2 h LEU 118 Ca 0.20 -0.33 0.13 0.00 0.84 0.00 0.00 57.88 58.72 3nd2 h LEU 118 Cb 0.42 -0.08 -0.09 0.00 0.37 0.00 0.00 40.66 41.28 3nd2 h LEU 118 CO 0.01 0.55 0.58 0.40 -0.34 0.00 0.00 178.44 179.64 3nd2 h ILE 119 N 0.02 0.86 -0.58 4.05 2.04 -0.75 -1.10 117.51 122.04 3nd2 h ILE 119 Ca 0.04 -0.30 -0.10 0.00 1.00 0.00 0.00 64.86 65.50 3nd2 h ILE 119 Cb 0.42 -0.09 -0.02 0.00 -0.74 0.00 0.00 36.82 36.38 3nd2 h ILE 119 CO 0.01 0.16 -0.03 0.00 0.00 0.00 0.00 178.15 178.29 3nd2 h ALA 120 N 1.55 0.79 -0.57 1.87 0.00 -1.22 -0.45 119.26 121.23 3nd2 h ALA 120 Ca 0.49 -0.32 -0.08 0.00 0.00 0.00 0.00 54.91 55.00 3nd2 h ALA 120 Cb 0.56 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.12 3nd2 h ALA 120 CO -0.30 0.65 0.05 0.00 0.00 0.00 0.00 179.25 179.66 3nd2 h ALA 121 N 0.97 0.76 -0.57 0.00 0.00 -0.81 -0.35 119.26 119.24 3nd2 h ALA 121 Ca 0.16 -0.27 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 3nd2 h ALA 121 Cb 0.59 -0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.15 3nd2 h ALA 121 CO 0.04 0.54 -0.06 0.82 0.00 0.00 0.00 179.25 180.59 3nd2 h ILE 122 N 0.86 1.27 -0.84 0.00 2.04 -1.13 -3.06 117.51 116.64 3nd2 h ILE 122 Ca 0.17 -1.22 -0.03 0.00 1.00 0.00 0.00 64.86 64.77 3nd2 h ILE 122 Cb 0.47 0.89 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 3nd2 h ILE 122 CO 0.02 0.44 0.41 0.00 0.00 0.00 0.00 178.15 179.02 3nd2 h ALA 123 N 0.96 1.09 -0.78 1.87 0.00 -0.94 -1.11 119.26 120.36 3nd2 h ALA 123 Ca 0.16 -0.16 0.18 0.00 0.00 0.00 0.00 54.91 55.09 3nd2 h ALA 123 Cb 0.63 -0.33 -0.13 0.00 0.00 0.00 0.00 17.79 17.96 3nd2 h ALA 123 CO 0.04 0.64 0.11 -0.44 0.00 0.00 0.00 179.25 179.61 3nd2 h ASP 124 N 1.20 -0.15 0.01 0.00 5.19 -0.96 -1.08 116.42 120.63 3nd2 h ASP 124 Ca 0.29 0.18 -0.04 0.00 -0.62 0.00 0.00 57.03 56.84 3nd2 h ASP 124 Cb 0.11 0.28 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3nd2 h ASP 124 CO -0.04 -0.13 -0.17 0.40 -3.12 0.00 0.00 179.24 176.18 3nd2 h ILE 125 N 0.18 1.63 0.13 0.35 2.04 -1.45 -3.42 117.51 116.97 3nd2 h ILE 125 Ca 0.44 -2.08 -0.31 0.00 1.00 0.00 0.00 64.86 63.91 3nd2 h ILE 125 Cb 0.81 3.01 -0.01 0.00 -0.74 0.00 0.00 36.82 39.89 3nd2 h ILE 125 CO -0.61 0.56 -1.57 -0.33 0.00 0.00 0.00 178.15 176.19 3nd2 h GLU 126 N -0.69 0.26 -0.84 2.37 5.08 -0.90 -3.37 114.58 116.49 3nd2 h GLU 126 Ca -0.03 -0.45 -0.02 0.00 -1.00 0.00 0.00 59.36 57.86 3nd2 h GLU 126 Cb 1.01 0.17 -0.04 0.00 0.50 0.00 0.00 28.75 30.39 3nd2 h GLU 126 CO 0.03 1.13 0.45 -0.07 -1.00 0.00 0.00 179.01 179.56 3nd2 h LEU 127 N 0.07 1.05 -2.43 1.33 3.38 -1.29 -1.73 115.31 115.69 3nd2 h LEU 127 Ca -0.26 -0.10 0.02 0.00 0.09 0.00 0.00 57.88 57.63 3nd2 h LEU 127 Cb 2.03 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 42.51 3nd2 h LEU 127 CO 0.16 0.85 0.16 -0.65 0.09 0.00 0.00 178.44 179.05 3nd2 h PRO 128 N 1.17 0.00 -0.01 1.13 0.11 -1.78 -2.46 132.00 130.16 3nd2 h PRO 128 Ca 0.29 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.40 3nd2 h PRO 128 Cb 0.04 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.15 3nd2 h PRO 128 CO -0.05 0.00 -0.52 0.72 -0.21 0.00 0.00 178.00 177.95 3nd2 n HIS 129 N -3.35 0.00 -0.93 0.65 8.25 -0.76 -4.97 115.22 114.12 3nd2 n HIS 129 Ca -0.01 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.45 3nd2 n HIS 129 Cb 0.24 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.35 3nd2 n HIS 129 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3nd2 n GLY 130 N 1.29 0.51 3.83 -1.41 0.00 -0.79 -5.03 105.19 103.59 3nd2 n GLY 130 Ca 0.06 -0.20 -0.33 0.00 0.00 0.00 0.00 46.02 45.55 3nd2 n GLY 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nd2 s ALA 131 N -2.00 3.09 -0.93 4.61 0.00 -0.73 -4.14 121.76 121.67 3nd2 s ALA 131 Ca 0.00 0.27 -0.03 0.00 0.00 0.00 0.00 51.96 52.21 3nd2 s ALA 131 Cb 0.00 -3.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.01 3nd2 s ALA 131 CO 0.00 0.04 0.79 1.87 0.00 0.00 0.00 175.76 178.47 3nd2 n TRP 132 N -0.90 -1.94 0.17 0.00 -0.00 -1.26 -3.73 117.44 109.77 3nd2 n TRP 132 Ca 0.06 0.74 0.04 0.00 -0.00 0.00 0.00 57.50 58.35 3nd2 n TRP 132 Cb 0.54 -4.18 0.47 0.00 -0.00 0.00 0.00 31.31 28.14 3nd2 n TRP 132 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 177.69 176.34 3nd2 h PRO 133 N -1.21 0.13 0.00 5.87 0.11 -1.96 -3.17 132.00 131.77 3nd2 h PRO 133 Ca -0.50 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.58 3nd2 h PRO 133 Cb 1.27 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.36 3nd2 h PRO 133 CO 0.39 0.25 -0.03 0.93 -0.21 0.00 0.00 178.00 179.33 3nd2 h GLU 134 N 0.13 0.00 0.38 1.05 3.07 -1.96 -3.38 114.58 113.87 3nd2 h GLU 134 Ca 0.03 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.87 3nd2 h GLU 134 Cb 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.20 3nd2 h GLU 134 CO 0.02 0.03 -0.18 1.25 -1.40 0.00 0.00 179.01 178.72 3nd2 h LEU 135 N 0.00 -0.43 -1.29 1.33 5.85 -1.95 -1.04 115.31 117.79 3nd2 h LEU 135 Ca -0.00 -0.09 -0.01 0.00 0.84 0.00 0.00 57.88 58.61 3nd2 h LEU 135 Cb 0.30 0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.41 3nd2 h LEU 135 CO 0.00 -0.15 0.31 0.24 -0.34 0.00 0.00 178.44 178.50 3nd2 h MET 136 N -0.71 0.79 -0.18 1.25 2.86 -1.82 -0.93 114.93 116.18 3nd2 h MET 136 Ca -0.05 -0.08 -0.01 0.00 -2.06 0.00 0.00 59.70 57.49 3nd2 h MET 136 Cb 0.50 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.99 3nd2 h MET 136 CO 0.09 0.59 0.06 -0.22 1.06 0.00 0.00 176.91 178.49 3nd2 h LYS 137 N 0.80 0.28 -0.78 1.72 3.11 -1.76 -2.32 116.57 117.63 3nd2 h LYS 137 Ca 0.20 -0.06 0.08 0.00 -2.81 0.00 0.00 60.65 58.07 3nd2 h LYS 137 Cb 0.03 -0.04 -0.05 0.00 -1.00 0.00 0.00 32.23 31.17 3nd2 h LYS 137 CO -0.03 0.38 0.51 0.82 -2.81 0.00 0.00 179.45 178.31 3nd2 h ILE 138 N 0.13 0.99 -0.47 2.00 2.04 -0.72 -1.14 117.51 120.34 3nd2 h ILE 138 Ca 0.06 -0.27 -0.11 0.00 1.00 0.00 0.00 64.86 65.55 3nd2 h ILE 138 Cb 0.21 0.15 -0.02 0.00 -0.74 0.00 0.00 36.82 36.42 3nd2 h ILE 138 CO -0.00 0.14 -0.13 0.24 0.00 0.00 0.00 178.15 178.39 3nd2 h MET 139 N 0.78 0.88 -0.22 2.37 2.86 -0.98 0.59 114.93 121.22 3nd2 h MET 139 Ca 0.35 -0.32 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3nd2 h MET 139 Cb 0.34 -0.06 -0.01 0.00 0.06 0.00 0.00 31.60 31.93 3nd2 h MET 139 CO -0.13 0.96 0.04 0.28 1.06 0.00 0.00 176.91 179.13 3nd2 h VAL 140 N 0.79 1.22 -0.43 -2.22 2.07 -1.10 -2.86 116.25 113.72 3nd2 h VAL 140 Ca 0.12 -0.72 0.07 0.00 0.82 0.00 0.00 66.70 66.99 3nd2 h VAL 140 Cb 0.66 1.28 -0.06 0.00 -1.52 0.00 0.00 31.29 31.65 3nd2 h VAL 140 CO 0.05 0.23 0.10 0.44 0.02 0.00 0.00 177.57 178.40 3nd2 h ASP 141 N 0.16 0.04 0.94 0.57 3.32 -1.09 -2.94 116.42 117.42 3nd2 h ASP 141 Ca 0.07 0.07 0.00 0.00 0.02 0.00 0.00 57.03 57.19 3nd2 h ASP 141 Cb 0.30 0.09 0.00 0.00 0.22 0.00 0.00 39.33 39.94 3nd2 h ASP 141 CO 0.00 0.06 0.00 0.78 -1.72 0.00 0.00 179.24 178.36 3nd2 h ASN 142 N 0.24 0.00 -0.11 6.45 2.35 -0.83 -2.69 115.58 121.00 3nd2 h ASN 142 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3nd2 h ASN 142 Cb 0.25 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.62 3nd2 h ASN 142 CO -0.26 0.00 0.00 0.35 -1.65 0.00 0.00 177.43 175.87 3nd2 n THR 143 N -2.95 0.14 -1.79 2.81 -2.24 -1.09 -2.86 114.28 106.30 3nd2 n THR 143 Ca 0.01 -0.57 -0.36 0.00 -2.27 0.00 0.00 64.05 60.86 3nd2 n THR 143 Cb 0.29 1.28 0.06 0.00 -2.10 0.00 0.00 70.33 69.85 3nd2 n THR 143 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3nd2 s GLY 144 N -1.54 2.64 0.28 3.38 0.00 -1.02 -4.51 107.32 106.56 3nd2 s GLY 144 Ca 0.25 1.00 -0.02 0.00 0.00 0.00 0.00 44.72 45.95 3nd2 s GLY 144 CO 0.25 1.40 1.59 0.00 0.00 0.00 0.00 173.10 176.35 3nd2 h ALA 145 N 0.47 0.99 0.00 3.20 0.00 -1.91 -0.60 119.26 121.41 3nd2 h ALA 145 Ca -0.50 0.31 0.00 0.00 0.00 0.00 0.00 54.91 54.72 3nd2 h ALA 145 Cb 1.30 0.54 0.00 0.00 0.00 0.00 0.00 17.79 19.64 3nd2 h ALA 145 CO 0.53 -0.50 0.00 -0.85 0.00 0.00 0.00 179.25 178.44 3nd2 n GLU 146 N -5.44 0.44 -2.59 0.00 0.00 -1.26 -4.91 120.64 106.88 3nd2 n GLU 146 Ca 0.19 0.02 -0.35 0.00 0.00 0.00 0.00 57.16 57.03 3nd2 n GLU 146 Cb 0.63 -1.50 -0.04 0.00 0.00 0.00 0.00 31.44 30.53 3nd2 n GLU 146 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 3nd2 s GLN 147 N -2.52 4.04 0.71 3.44 -1.52 -0.23 -5.01 119.66 118.57 3nd2 s GLN 147 Ca 0.28 1.39 -0.16 0.00 -1.95 0.00 0.00 55.36 54.92 3nd2 s GLN 147 Cb 0.19 -2.32 -0.03 0.00 -0.22 0.00 0.00 33.01 30.63 3nd2 s GLN 147 CO 0.41 -0.23 0.69 -2.30 -0.25 0.00 0.00 175.29 173.60 3nd2 n PRO 148 N -0.49 0.38 -0.32 2.91 -0.02 -1.26 -4.82 135.00 131.39 3nd2 n PRO 148 Ca 0.07 0.18 0.00 0.00 -2.02 0.00 0.00 63.50 61.73 3nd2 n PRO 148 Cb 0.51 -1.96 0.13 0.00 -0.02 0.00 0.00 33.50 32.17 3nd2 n PRO 148 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3nd2 h GLU 149 N -0.30 0.99 -0.26 -0.52 4.81 -1.97 -2.60 114.58 114.73 3nd2 h GLU 149 Ca -0.46 -0.06 -0.03 0.00 -0.13 0.00 0.00 59.36 58.68 3nd2 h GLU 149 Cb 1.35 -0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.49 3nd2 h GLU 149 CO 0.44 0.66 0.03 -2.95 -0.73 0.00 0.00 179.01 176.46 3nd2 h ASN 150 N 1.02 0.41 -0.31 1.04 -1.07 -1.96 -1.50 115.58 113.22 3nd2 h ASN 150 Ca 0.37 -0.27 0.07 0.00 0.07 0.00 0.00 56.30 56.54 3nd2 h ASN 150 Cb 0.12 -0.11 -0.07 0.00 -2.07 0.00 0.00 38.32 36.19 3nd2 h ASN 150 CO -0.15 0.58 -0.16 0.58 0.07 0.00 0.00 177.43 178.35 3nd2 h VAL 151 N 0.23 0.52 -0.38 6.14 2.07 -1.84 -0.55 116.25 122.45 3nd2 h VAL 151 Ca 0.08 0.00 0.04 0.00 0.82 0.00 0.00 66.70 67.64 3nd2 h VAL 151 Cb 0.35 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 30.60 3nd2 h VAL 151 CO 0.01 0.00 0.15 0.11 0.02 0.00 0.00 177.57 177.85 3nd2 h LYS 152 N -0.12 0.30 -0.07 1.57 1.57 -1.32 -2.39 116.57 116.11 3nd2 h LYS 152 Ca 0.16 -0.02 -0.01 0.00 -1.87 0.00 0.00 60.65 58.91 3nd2 h LYS 152 Cb 0.36 -0.07 -0.00 0.00 0.08 0.00 0.00 32.23 32.60 3nd2 h LYS 152 CO -0.38 0.20 0.01 -0.09 -0.57 0.00 0.00 179.45 178.62 3nd2 h ARG 153 N 0.31 0.12 -0.12 3.15 2.43 -0.80 -2.52 114.38 116.95 3nd2 h ARG 153 Ca 0.17 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 3nd2 h ARG 153 Cb 0.14 -0.01 -0.01 0.00 -0.42 0.00 0.00 29.97 29.66 3nd2 h ARG 153 CO -0.16 0.33 -0.44 0.00 -1.51 0.00 0.00 179.97 178.19 3nd2 h ALA 154 N 0.79 1.04 -0.35 2.80 0.00 -1.10 -1.85 119.26 120.58 3nd2 h ALA 154 Ca 0.02 -0.44 -0.16 0.00 0.00 0.00 0.00 54.91 54.34 3nd2 h ALA 154 Cb 0.27 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 17.96 3nd2 h ALA 154 CO 0.00 0.62 -0.41 0.77 0.00 0.00 0.00 179.25 180.23 3nd2 h SER 155 N 0.23 0.92 -0.38 0.00 0.02 -1.39 -1.60 113.55 111.35 3nd2 h SER 155 Ca 0.02 -0.43 -0.06 0.00 -0.84 0.00 0.00 61.79 60.48 3nd2 h SER 155 Cb 0.87 -0.26 -0.02 0.00 0.14 0.00 0.00 62.40 63.13 3nd2 h SER 155 CO 0.07 1.21 0.05 -0.07 -1.14 0.00 0.00 176.83 176.94 3nd2 h LEU 156 N 0.70 0.69 -0.73 5.07 3.38 -1.22 -1.60 115.31 121.60 3nd2 h LEU 156 Ca 0.05 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.84 3nd2 h LEU 156 Cb 0.99 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 41.52 3nd2 h LEU 156 CO 0.10 0.73 0.30 -0.07 0.09 0.00 0.00 178.44 179.58 3nd2 h LEU 157 N 0.70 1.00 -0.06 1.67 3.38 -1.16 0.17 115.31 121.01 3nd2 h LEU 157 Ca 0.15 -0.17 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3nd2 h LEU 157 Cb 0.36 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.85 3nd2 h LEU 157 CO 0.01 0.90 0.01 0.00 0.09 0.00 0.00 178.44 179.45 3nd2 h ALA 158 N 1.14 0.08 -0.24 1.53 0.00 -0.95 0.18 119.26 120.99 3nd2 h ALA 158 Ca 0.24 -0.13 0.04 0.00 0.00 0.00 0.00 54.91 55.06 3nd2 h ALA 158 Cb 0.20 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3nd2 h ALA 158 CO -0.02 -0.29 0.03 -0.07 0.00 0.00 0.00 179.25 178.90 3nd2 h LEU 159 N -0.13 -0.03 -0.40 0.00 3.38 -1.26 0.26 115.31 117.12 3nd2 h LEU 159 Ca 0.02 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.07 3nd2 h LEU 159 Cb 0.26 0.07 -0.06 0.00 0.09 0.00 0.00 40.66 41.01 3nd2 h LEU 159 CO 0.00 0.02 -0.39 1.23 0.09 0.00 0.00 178.44 179.39 3nd2 h GLY 160 N 0.11 -1.35 0.49 0.83 0.00 -0.82 -1.04 103.07 101.30 3nd2 h GLY 160 Ca 0.11 0.81 0.09 0.00 0.00 0.00 0.00 47.33 48.34 3nd2 h GLY 160 CO -0.16 -0.31 0.34 -0.97 0.00 0.00 0.00 176.54 175.43 3nd2 h TYR 161 N -0.19 0.60 -0.56 5.60 0.05 -0.24 -1.38 116.97 120.85 3nd2 h TYR 161 Ca 0.07 0.03 0.11 0.00 0.05 0.00 0.00 58.73 58.99 3nd2 h TYR 161 Cb 0.37 -0.17 -0.09 0.00 1.01 0.00 0.00 36.73 37.85 3nd2 h TYR 161 CO -0.78 0.22 0.01 0.52 -1.05 0.00 0.00 178.16 177.08 3nd2 h MET 162 N 0.58 0.13 -0.31 4.88 2.86 -0.24 -1.56 114.93 121.27 3nd2 h MET 162 Ca 0.33 -0.01 -0.12 0.00 -2.06 0.00 0.00 59.70 57.85 3nd2 h MET 162 Cb 0.34 -0.03 -0.01 0.00 0.06 0.00 0.00 31.60 31.97 3nd2 h MET 162 CO -0.26 0.08 -0.28 0.00 1.06 0.00 0.00 176.91 177.51 3nd2 h GLU 164 N 0.49 -0.88 0.00 0.00 5.08 -1.19 -3.26 114.58 114.81 3nd2 h GLU 164 Ca 0.05 0.06 -0.08 0.00 -1.00 0.00 0.00 59.36 58.40 3nd2 h GLU 164 Cb 0.85 0.20 -0.01 0.00 0.50 0.00 0.00 28.75 30.29 3nd2 h GLU 164 CO 0.07 -0.59 -0.36 0.66 -1.00 0.00 0.00 179.01 177.79 3nd2 h SER 165 N -0.92 0.00 -3.78 1.42 4.64 -1.32 -3.45 113.55 110.14 3nd2 h SER 165 Ca -0.05 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.72 3nd2 h SER 165 Cb 0.79 0.00 0.12 0.00 -0.31 0.00 0.00 62.40 63.00 3nd2 h SER 165 CO -0.02 0.36 0.65 0.00 -0.87 0.00 0.00 176.83 176.94 3nd2 n ALA 166 N -2.35 1.87 -1.65 5.18 0.00 -0.94 -4.94 120.51 117.68 3nd2 n ALA 166 Ca -0.01 0.29 -0.48 0.00 0.00 0.00 0.00 53.44 53.24 3nd2 n ALA 166 Cb 0.45 -2.35 -0.05 0.00 0.00 0.00 0.00 19.45 17.50 3nd2 n ALA 166 CO 0.00 0.00 0.00 -3.47 0.00 0.00 0.00 177.50 174.03 3nd2 n ASP 167 N 0.18 2.73 0.20 0.00 -0.08 -1.26 -4.86 116.55 113.46 3nd2 n ASP 167 Ca 0.04 1.09 0.14 0.00 -1.51 0.00 0.00 54.79 54.56 3nd2 n ASP 167 Cb 0.40 -1.36 0.72 0.00 2.34 0.00 0.00 41.12 43.22 3nd2 n ASP 167 CO 0.00 0.00 0.00 -0.65 0.12 0.00 0.00 177.20 176.67 3nd2 h PRO 168 N 5.66 0.00 -0.42 -0.67 0.11 -1.92 -1.28 132.00 133.49 3nd2 h PRO 168 Ca -0.46 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3nd2 h PRO 168 Cb 1.27 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.38 3nd2 h PRO 168 CO 0.86 0.00 0.00 0.94 -0.21 0.00 0.00 178.00 179.59 3nd2 n GLN 169 N -2.49 2.88 -2.07 1.05 -0.06 -1.26 -4.94 117.38 110.49 3nd2 n GLN 169 Ca -0.01 -2.22 -0.33 0.00 -2.00 0.00 0.00 57.00 52.44 3nd2 n GLN 169 Cb 0.09 -1.37 0.01 0.00 -4.06 0.00 0.00 30.24 24.91 3nd2 n GLN 169 CO 0.00 0.00 0.00 -1.54 -0.20 0.00 0.00 177.06 175.32 3nd2 s SER 170 N -1.04 5.79 -0.01 1.69 1.04 -0.48 -4.99 113.70 115.70 3nd2 s SER 170 Ca 0.30 1.84 0.19 0.00 0.48 0.00 0.00 55.95 58.75 3nd2 s SER 170 Cb 0.16 -2.54 -0.23 0.00 0.10 0.00 0.00 66.02 63.51 3nd2 s SER 170 CO 0.19 -1.16 0.72 0.00 0.98 0.00 0.00 173.24 173.97 3nd2 n GLN 171 N -1.97 0.64 0.16 4.02 1.13 -1.26 -4.36 117.38 115.75 3nd2 n GLN 171 Ca 0.09 -0.05 -0.13 0.00 -1.94 0.00 0.00 57.00 54.97 3nd2 n GLN 171 Cb 0.53 -1.42 -0.08 0.00 0.11 0.00 0.00 30.24 29.37 3nd2 n GLN 171 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nd2 h ALA 172 N 2.49 -0.42 0.00 -1.58 0.00 -1.94 -1.03 119.26 116.77 3nd2 h ALA 172 Ca 0.00 -0.18 -0.05 0.00 0.00 0.00 0.00 54.91 54.68 3nd2 h ALA 172 Cb 0.57 0.16 -0.01 0.00 0.00 0.00 0.00 17.79 18.52 3nd2 h ALA 172 CO 0.00 -0.58 -0.24 -0.07 0.00 0.00 0.00 179.25 178.35 3nd2 h LEU 173 N -0.73 0.00 -0.25 0.00 3.38 -1.94 -2.43 115.31 113.34 3nd2 h LEU 173 Ca -0.04 0.00 -0.05 0.00 0.09 0.00 0.00 57.88 57.88 3nd2 h LEU 173 Cb 0.50 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.24 3nd2 h LEU 173 CO 0.07 0.24 -0.03 0.58 0.09 0.00 0.00 178.44 179.40 3nd2 h VAL 174 N 0.00 1.27 0.00 1.22 2.07 -1.71 -2.47 116.25 116.63 3nd2 h VAL 174 Ca -0.00 -0.98 -0.05 0.00 0.82 0.00 0.00 66.70 66.49 3nd2 h VAL 174 Cb 0.52 1.41 -0.01 0.00 -1.52 0.00 0.00 31.29 31.69 3nd2 h VAL 174 CO 0.03 0.31 -0.22 0.77 0.02 0.00 0.00 177.57 178.48 3nd2 h SER 175 N 0.22 0.00 -0.65 0.57 4.64 -0.72 -2.69 113.55 114.92 3nd2 h SER 175 Ca 0.07 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.98 3nd2 h SER 175 Cb 0.46 0.00 -0.25 0.00 -0.31 0.00 0.00 62.40 62.31 3nd2 h SER 175 CO 0.02 0.22 -0.00 -1.54 -0.87 0.00 0.00 176.83 174.66 3nd2 n SER 176 N -3.73 4.32 0.23 4.97 3.41 -0.98 -4.73 113.62 117.11 3nd2 n SER 176 Ca -0.01 -3.77 0.10 0.00 -0.26 0.00 0.00 58.87 54.93 3nd2 n SER 176 Cb 0.33 -0.65 0.54 0.00 -0.26 0.00 0.00 64.21 64.16 3nd2 n SER 176 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 3nd2 h SER 177 N 1.51 0.00 -0.27 4.04 4.64 -1.08 -2.82 113.55 119.57 3nd2 h SER 177 Ca 0.38 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.68 3nd2 h SER 177 Cb 1.56 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.63 3nd2 h SER 177 CO 0.81 0.21 0.08 0.78 -0.87 0.00 0.00 176.83 177.84 3nd2 h ASN 178 N 0.00 0.39 0.30 4.97 4.21 -1.85 -1.35 115.58 122.26 3nd2 h ASN 178 Ca -0.00 -0.21 -0.19 0.00 1.21 0.00 0.00 56.30 57.11 3nd2 h ASN 178 Cb 0.62 -0.10 -0.00 0.00 -1.12 0.00 0.00 38.32 37.72 3nd2 h ASN 178 CO 0.03 0.49 -0.79 0.78 -1.29 0.00 0.00 177.43 176.65 3nd2 h ASN 179 N 0.27 0.47 -0.18 5.81 2.35 -1.92 0.94 115.58 123.33 3nd2 h ASN 179 Ca 0.09 -0.33 0.03 0.00 -0.55 0.00 0.00 56.30 55.54 3nd2 h ASN 179 Cb 0.24 -0.14 -0.03 0.00 0.05 0.00 0.00 38.32 38.44 3nd2 h ASN 179 CO -0.00 1.09 -0.03 0.40 -1.65 0.00 0.00 177.43 177.23 3nd2 h ILE 180 N 0.25 0.84 -0.48 2.81 2.04 -1.51 -2.12 117.51 119.33 3nd2 h ILE 180 Ca -0.04 -0.00 -0.11 0.00 1.00 0.00 0.00 64.86 65.70 3nd2 h ILE 180 Cb 1.38 0.82 -0.02 0.00 -0.74 0.00 0.00 36.82 38.27 3nd2 h ILE 180 CO 0.13 0.00 -0.16 -0.07 0.00 0.00 0.00 178.15 178.06 3nd2 h LEU 181 N 0.01 0.92 -0.28 1.44 3.38 -1.14 -2.17 115.31 117.49 3nd2 h LEU 181 Ca 0.08 -0.32 0.00 0.00 0.09 0.00 0.00 57.88 57.74 3nd2 h LEU 181 Cb 0.12 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3nd2 h LEU 181 CO -0.17 1.07 0.18 0.40 0.09 0.00 0.00 178.44 180.01 3nd2 h ILE 182 N 0.81 1.08 -0.56 1.22 2.04 -0.74 0.14 117.51 121.50 3nd2 h ILE 182 Ca 0.12 -0.15 -0.05 0.00 1.00 0.00 0.00 64.86 65.78 3nd2 h ILE 182 Cb 0.70 0.68 -0.02 0.00 -0.74 0.00 0.00 36.82 37.43 3nd2 h ILE 182 CO 0.05 0.07 0.15 0.00 0.00 0.00 0.00 178.15 178.42 3nd2 h ALA 183 N 1.10 0.73 -0.24 1.87 0.00 -1.37 -0.45 119.26 120.90 3nd2 h ALA 183 Ca 0.10 -0.21 -0.05 0.00 0.00 0.00 0.00 54.91 54.75 3nd2 h ALA 183 Cb -0.04 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.53 3nd2 h ALA 183 CO -0.02 0.42 -0.05 0.82 0.00 0.00 0.00 179.25 180.42 3nd2 h ILE 184 N 0.79 1.28 0.00 0.00 2.04 -1.19 -2.88 117.51 117.55 3nd2 h ILE 184 Ca 0.18 -1.03 -0.06 0.00 1.00 0.00 0.00 64.86 64.95 3nd2 h ILE 184 Cb 0.32 1.46 -0.01 0.00 -0.74 0.00 0.00 36.82 37.85 3nd2 h ILE 184 CO -0.00 0.32 -0.27 0.58 0.00 0.00 0.00 178.15 178.78 3nd2 h VAL 185 N 0.21 0.89 -0.34 1.67 2.07 -0.63 -1.73 116.25 118.39 3nd2 h VAL 185 Ca 0.06 -1.06 -0.07 0.00 0.82 0.00 0.00 66.70 66.45 3nd2 h VAL 185 Cb 0.50 1.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 3nd2 h VAL 185 CO 0.02 0.27 -0.08 1.56 0.02 0.00 0.00 177.57 179.36 3nd2 h GLN 186 N 0.00 0.57 0.00 1.57 4.20 -0.88 -2.89 115.11 117.69 3nd2 h GLN 186 Ca -0.00 -0.16 -0.21 0.00 0.06 0.00 0.00 58.65 58.34 3nd2 h GLN 186 Cb 0.61 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 28.29 3nd2 h GLN 186 CO 0.04 0.65 -1.26 0.78 -0.67 0.00 0.00 178.83 178.37 3nd2 h GLY 187 N 0.92 0.00 1.38 3.46 0.00 -1.29 -3.38 103.07 104.17 3nd2 h GLY 187 Ca 0.10 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.43 3nd2 h GLY 187 CO 0.02 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.12 3nd2 n ALA 188 N -2.41 2.78 -1.69 3.60 0.00 -0.68 -3.55 120.51 118.56 3nd2 n ALA 188 Ca -0.08 -0.19 -0.35 0.00 0.00 0.00 0.00 53.44 52.82 3nd2 n ALA 188 Cb 0.92 -1.25 0.02 0.00 0.00 0.00 0.00 19.45 19.14 3nd2 n ALA 188 CO 0.00 0.00 0.00 1.14 0.00 0.00 0.00 177.50 178.64 3nd2 s GLN 189 N -3.14 3.11 0.58 0.00 -2.07 -1.09 -4.80 119.66 112.24 3nd2 s GLN 189 Ca 0.08 1.61 0.38 0.00 -1.82 0.00 0.00 55.36 55.60 3nd2 s GLN 189 Cb 0.13 -1.97 1.83 0.00 -1.09 0.00 0.00 33.01 31.91 3nd2 s GLN 189 CO 0.68 -1.05 2.13 0.66 -1.32 0.00 0.00 175.29 176.40 3nd2 h SER 190 N 0.82 0.00 0.26 12.60 4.64 -1.91 -1.87 113.55 128.09 3nd2 h SER 190 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3nd2 h SER 190 Cb 1.27 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.36 3nd2 h SER 190 CO 0.56 0.00 0.00 1.07 -0.87 0.00 0.00 176.83 177.59 3nd2 n THR 191 N -3.00 1.46 -2.91 2.95 5.66 -1.26 -4.69 114.28 112.48 3nd2 n THR 191 Ca -0.01 0.38 -0.42 0.00 -3.05 0.00 0.00 64.05 60.94 3nd2 n THR 191 Cb 0.18 -1.25 -0.05 0.00 -1.55 0.00 0.00 70.33 67.67 3nd2 n THR 191 CO 0.00 0.00 0.00 -0.70 -3.05 0.00 0.00 175.07 171.32 3nd2 s GLU 192 N -3.02 3.93 0.36 1.09 2.56 -0.71 -4.97 118.70 117.94 3nd2 s GLU 192 Ca 0.04 0.58 0.07 0.00 0.00 0.00 0.00 54.97 55.66 3nd2 s GLU 192 Cb 0.05 -3.75 0.77 0.00 2.00 0.00 0.00 34.13 33.20 3nd2 s GLU 192 CO 0.14 -0.74 1.94 1.15 -0.56 0.00 0.00 175.26 177.19 3nd2 h THR 193 N 5.65 0.97 -3.38 -1.70 2.02 -1.90 -3.44 112.91 111.13 3nd2 h THR 193 Ca -0.24 -0.25 -0.59 0.00 0.77 0.00 0.00 66.41 66.10 3nd2 h THR 193 Cb 1.09 0.18 -0.09 0.00 -1.74 0.00 0.00 68.15 67.59 3nd2 h THR 193 CO 0.91 0.13 -0.15 -0.55 0.37 0.00 0.00 175.52 176.23 3nd2 s SER 194 N -6.10 6.58 0.33 4.18 0.15 -1.26 -4.95 113.70 112.63 3nd2 s SER 194 Ca -0.10 0.69 0.09 0.00 0.70 0.00 0.00 55.95 57.33 3nd2 s SER 194 Cb 0.20 -2.27 0.58 0.00 -1.71 0.00 0.00 66.02 62.82 3nd2 s SER 194 CO 0.78 -0.05 1.77 0.07 1.20 0.00 0.00 173.24 177.01 3nd2 h LYS 195 N 7.01 0.16 -0.41 5.44 2.10 -1.99 -2.49 116.57 126.39 3nd2 h LYS 195 Ca -0.38 -0.07 -0.12 0.00 -2.00 0.00 0.00 60.65 58.08 3nd2 h LYS 195 Cb 1.17 -0.01 -0.01 0.00 -0.90 0.00 0.00 32.23 32.48 3nd2 h LYS 195 CO 0.74 0.51 -0.21 0.00 -2.00 0.00 0.00 179.45 178.50 3nd2 h ALA 196 N 1.49 0.86 -0.12 0.07 0.00 -1.99 -1.20 119.26 118.36 3nd2 h ALA 196 Ca 0.02 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.47 3nd2 h ALA 196 Cb 0.71 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.34 3nd2 h ALA 196 CO 0.05 0.64 -0.26 0.28 0.00 0.00 0.00 179.25 179.96 3nd2 h VAL 197 N 0.71 1.38 -0.25 0.00 2.07 -1.88 -2.24 116.25 116.04 3nd2 h VAL 197 Ca 0.10 -1.54 0.02 0.00 0.82 0.00 0.00 66.70 66.10 3nd2 h VAL 197 Cb 0.73 2.06 -0.02 0.00 -1.52 0.00 0.00 31.29 32.54 3nd2 h VAL 197 CO 0.06 0.45 0.11 0.03 0.02 0.00 0.00 177.57 178.24 3nd2 h ARG 198 N -0.02 0.23 -0.21 1.57 3.08 -1.44 0.12 114.38 117.72 3nd2 h ARG 198 Ca 0.00 -0.01 0.03 0.00 0.07 0.00 0.00 59.98 60.07 3nd2 h ARG 198 Cb 0.85 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 30.82 3nd2 h ARG 198 CO 0.06 0.15 0.01 -0.07 -1.07 0.00 0.00 179.97 179.05 3nd2 h LEU 199 N 0.24 -0.07 -0.69 3.04 3.38 -1.28 0.33 115.31 120.26 3nd2 h LEU 199 Ca 0.10 0.04 0.04 0.00 0.09 0.00 0.00 57.88 58.15 3nd2 h LEU 199 Cb 0.04 0.08 -0.05 0.00 0.09 0.00 0.00 40.66 40.82 3nd2 h LEU 199 CO -0.08 -0.01 0.43 0.00 0.09 0.00 0.00 178.44 178.87 3nd2 h ALA 200 N 1.17 0.92 -0.66 1.53 0.00 -1.25 0.69 119.26 121.66 3nd2 h ALA 200 Ca 0.10 -0.01 -0.06 0.00 0.00 0.00 0.00 54.91 54.93 3nd2 h ALA 200 Cb 0.12 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 17.68 3nd2 h ALA 200 CO -0.16 0.18 0.16 0.00 0.00 0.00 0.00 179.25 179.43 3nd2 h ALA 201 N 1.31 1.04 0.07 0.00 0.00 -0.31 0.74 119.26 122.11 3nd2 h ALA 201 Ca 0.29 -0.24 -0.28 0.00 0.00 0.00 0.00 54.91 54.68 3nd2 h ALA 201 Cb 0.06 -0.26 0.02 0.00 0.00 0.00 0.00 17.79 17.62 3nd2 h ALA 201 CO -0.13 0.63 -1.15 -0.07 0.00 0.00 0.00 179.25 178.54 3nd2 h LEU 202 N 0.99 0.80 -0.74 0.00 3.38 -0.66 -0.66 115.31 118.43 3nd2 h LEU 202 Ca 0.21 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.48 3nd2 h LEU 202 Cb 0.35 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.81 3nd2 h LEU 202 CO 0.00 1.51 0.48 0.78 0.09 0.00 0.00 178.44 181.30 3nd2 h ASN 203 N 0.29 0.85 -0.68 -0.43 4.21 -0.83 -1.82 115.58 117.18 3nd2 h ASN 203 Ca -0.15 -0.03 -0.05 0.00 1.21 0.00 0.00 56.30 57.28 3nd2 h ASN 203 Cb 1.81 -0.21 -0.03 0.00 -1.12 0.00 0.00 38.32 38.77 3nd2 h ASN 203 CO 0.22 0.63 0.25 0.00 -1.29 0.00 0.00 177.43 177.23 3nd2 h ALA 204 N 1.26 1.12 -0.02 -0.83 0.00 -0.78 -2.91 119.26 117.10 3nd2 h ALA 204 Ca 0.27 -0.20 0.01 0.00 0.00 0.00 0.00 54.91 54.99 3nd2 h ALA 204 Cb -0.10 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.41 3nd2 h ALA 204 CO -0.06 0.62 -0.04 1.25 0.00 0.00 0.00 179.25 181.02 3nd2 h LEU 205 N 1.02 -0.12 -0.88 0.00 5.85 -0.66 -1.15 115.31 119.38 3nd2 h LEU 205 Ca 0.23 0.02 0.17 0.00 0.84 0.00 0.00 57.88 59.14 3nd2 h LEU 205 Cb 0.24 0.05 -0.10 0.00 0.37 0.00 0.00 40.66 41.23 3nd2 h LEU 205 CO -0.01 -0.06 0.46 0.00 -0.34 0.00 0.00 178.44 178.48 3nd2 h ALA 206 N 0.95 1.37 0.00 1.25 0.00 -1.30 -1.13 119.26 120.39 3nd2 h ALA 206 Ca 0.02 0.10 -0.05 0.00 0.00 0.00 0.00 54.91 54.98 3nd2 h ALA 206 Cb 0.09 -0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3nd2 h ALA 206 CO -0.05 -0.12 -0.25 -0.44 0.00 0.00 0.00 179.25 178.39 3nd2 h ASP 207 N 0.61 0.00 0.77 0.00 3.32 -1.17 -3.22 116.42 116.74 3nd2 h ASP 207 Ca 0.50 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.55 3nd2 h ASP 207 Cb 0.76 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.31 3nd2 h ASP 207 CO -0.39 0.25 -0.81 -1.54 -1.72 0.00 0.00 179.24 175.02 3nd2 n SER 208 N -3.43 0.70 -0.29 6.45 3.41 -0.47 -4.46 113.62 115.53 3nd2 n SER 208 Ca -0.00 0.08 0.16 0.00 -0.26 0.00 0.00 58.87 58.85 3nd2 n SER 208 Cb 0.44 0.39 0.43 0.00 -0.26 0.00 0.00 64.21 65.21 3nd2 n SER 208 CO 0.00 0.00 0.00 -0.07 -0.16 0.00 0.00 175.04 174.81 3nd2 h LEU 209 N 0.00 0.58 -1.36 1.04 3.38 -1.47 0.18 115.31 117.65 3nd2 h LEU 209 Ca 0.00 0.06 -0.07 0.00 0.09 0.00 0.00 57.88 57.96 3nd2 h LEU 209 Cb 0.79 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.49 3nd2 h LEU 209 CO 0.00 0.23 -0.32 0.40 0.09 0.00 0.00 178.44 178.84 3nd2 h ILE 210 N 0.58 1.23 0.00 1.22 2.04 -1.85 -3.07 117.51 117.65 3nd2 h ILE 210 Ca 0.51 -1.09 0.00 0.00 1.00 0.00 0.00 64.86 65.28 3nd2 h ILE 210 Cb 1.03 1.59 0.00 0.00 -0.74 0.00 0.00 36.82 38.70 3nd2 h ILE 210 CO -0.25 0.31 -0.59 0.49 0.00 0.00 0.00 178.15 178.11 3nd2 n PHE 211 N -4.16 0.06 -1.10 1.37 3.72 0.61 -4.13 117.46 113.84 3nd2 n PHE 211 Ca -0.02 0.02 -0.05 0.00 -0.05 0.00 0.00 57.45 57.34 3nd2 n PHE 211 Cb 0.36 -0.27 0.28 0.00 -0.94 0.00 0.00 39.48 38.91 3nd2 n PHE 211 CO 0.00 0.00 0.00 0.44 -0.05 0.00 0.00 176.76 177.15 3nd2 n ILE 212 N -1.58 2.85 0.24 4.37 -5.35 -1.11 -4.25 119.36 114.53 3nd2 n ILE 212 Ca 0.05 -1.80 0.07 0.00 -0.27 0.00 0.00 62.75 60.79 3nd2 n ILE 212 Cb 0.35 -0.35 0.57 0.00 -1.74 0.00 0.00 39.64 38.47 3nd2 n ILE 212 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3nd2 h LYS 213 N 2.30 0.00 -0.17 6.28 2.10 -1.72 -2.18 116.57 123.19 3nd2 h LYS 213 Ca 0.26 0.00 -0.15 0.00 -2.00 0.00 0.00 60.65 58.76 3nd2 h LYS 213 Cb 2.21 0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 33.53 3nd2 h LYS 213 CO 0.67 0.12 -0.52 -0.91 -2.00 0.00 0.00 179.45 176.81 3nd2 h ASN 214 N 0.00 0.51 0.13 7.07 2.35 -1.94 -2.22 115.58 121.49 3nd2 h ASN 214 Ca -0.00 -0.26 -0.17 0.00 -0.55 0.00 0.00 56.30 55.32 3nd2 h ASN 214 Cb 0.22 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3nd2 h ASN 214 CO 0.02 0.94 -0.63 0.78 -1.65 0.00 0.00 177.43 176.89 3nd2 h ASN 215 N 0.36 0.55 0.62 5.81 2.35 -1.84 -3.20 115.58 120.23 3nd2 h ASN 215 Ca 0.01 -0.32 -0.04 0.00 -0.55 0.00 0.00 56.30 55.40 3nd2 h ASN 215 Cb 1.04 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 39.24 3nd2 h ASN 215 CO 0.09 1.04 -0.21 0.24 -1.65 0.00 0.00 177.43 176.95 3nd2 h MET 216 N 0.35 0.00 0.00 0.81 2.86 -1.28 -2.29 114.93 115.39 3nd2 h MET 216 Ca -0.01 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.63 3nd2 h MET 216 Cb 1.18 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.84 3nd2 h MET 216 CO 0.11 0.21 0.00 0.39 1.06 0.00 0.00 176.91 178.68 3nd2 n GLU 217 N -3.57 0.18 -3.52 1.72 1.02 -0.85 -4.68 120.64 110.94 3nd2 n GLU 217 Ca -0.01 0.28 -0.40 0.00 -0.02 0.00 0.00 57.16 57.02 3nd2 n GLU 217 Cb 0.35 -1.77 -0.10 0.00 -0.02 0.00 0.00 31.44 29.90 3nd2 n GLU 217 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 3nd2 s ARG 218 N -3.17 3.66 0.22 3.49 0.52 -0.86 -5.00 118.95 117.81 3nd2 s ARG 218 Ca 0.08 -0.49 -0.11 0.00 -0.52 0.00 0.00 55.73 54.69 3nd2 s ARG 218 Cb 0.11 -3.76 0.30 0.00 0.52 0.00 0.00 34.95 32.13 3nd2 s ARG 218 CO 0.47 -0.37 1.66 1.49 0.02 0.00 0.00 175.30 178.57 3nd2 h GLU 219 N 8.44 0.10 -0.68 3.54 4.81 -1.84 -0.17 114.58 128.78 3nd2 h GLU 219 Ca -0.32 -0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 58.87 3nd2 h GLU 219 Cb 1.17 -0.02 -0.03 0.00 0.63 0.00 0.00 28.75 30.49 3nd2 h GLU 219 CO 0.62 0.07 0.31 0.78 -0.73 0.00 0.00 179.01 180.06 3nd2 h GLY 220 N 0.11 1.06 1.42 1.92 0.00 -1.94 0.20 103.07 105.83 3nd2 h GLY 220 Ca 0.33 -0.54 -0.21 0.00 0.00 0.00 0.00 47.33 46.91 3nd2 h GLY 220 CO -0.55 0.51 -0.78 0.83 0.00 0.00 0.00 176.54 176.56 3nd2 h GLU 221 N 0.95 0.57 -0.36 4.80 5.08 -1.68 -2.45 114.58 121.49 3nd2 h GLU 221 Ca 0.23 -0.48 -0.09 0.00 -1.00 0.00 0.00 59.36 58.02 3nd2 h GLU 221 Cb 0.14 0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.49 3nd2 h GLU 221 CO -0.03 1.10 -0.13 -0.09 -1.00 0.00 0.00 179.01 178.87 3nd2 h ARG 222 N 0.38 0.72 -0.45 2.33 2.43 -0.81 -1.59 114.38 117.38 3nd2 h ARG 222 Ca -0.05 -0.29 0.04 0.00 -0.81 0.00 0.00 59.98 58.87 3nd2 h ARG 222 Cb 1.38 -0.03 -0.04 0.00 -0.42 0.00 0.00 29.97 30.86 3nd2 h ARG 222 CO 0.15 0.89 0.21 -0.91 -1.51 0.00 0.00 179.97 178.80 3nd2 h ASN 223 N 0.50 0.30 -0.13 -3.80 2.35 -0.65 -1.80 115.58 112.35 3nd2 h ASN 223 Ca 0.09 0.03 -0.01 0.00 -0.55 0.00 0.00 56.30 55.85 3nd2 h ASN 223 Cb 0.65 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 3nd2 h ASN 223 CO 0.04 0.21 0.04 0.22 -1.65 0.00 0.00 177.43 176.30 3nd2 h TYR 224 N 0.43 0.21 -0.44 1.19 3.20 -1.35 -1.52 116.97 118.70 3nd2 h TYR 224 Ca 0.20 -0.02 0.03 0.00 3.14 0.00 0.00 58.73 62.08 3nd2 h TYR 224 Cb 0.12 -0.06 -0.03 0.00 1.54 0.00 0.00 36.73 38.30 3nd2 h TYR 224 CO -0.11 0.33 0.23 1.25 -1.64 0.00 0.00 178.16 178.22 3nd2 h LEU 225 N 0.04 0.35 -0.88 2.82 5.85 -1.23 -1.43 115.31 120.84 3nd2 h LEU 225 Ca 0.04 0.02 -0.02 0.00 0.84 0.00 0.00 57.88 58.76 3nd2 h LEU 225 Cb 0.21 -0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.15 3nd2 h LEU 225 CO -0.00 0.25 0.49 0.24 -0.34 0.00 0.00 178.44 179.08 3nd2 h MET 226 N 0.47 1.22 -0.65 1.25 2.86 -1.21 -1.23 114.93 117.63 3nd2 h MET 226 Ca 0.18 -0.14 0.05 0.00 -2.06 0.00 0.00 59.70 57.73 3nd2 h MET 226 Cb 0.06 -0.24 -0.05 0.00 0.06 0.00 0.00 31.60 31.43 3nd2 h MET 226 CO -0.11 0.88 0.37 0.37 1.06 0.00 0.00 176.91 179.49 3nd2 h GLN 227 N 1.22 0.68 -0.38 1.72 4.15 -1.05 -0.87 115.11 120.58 3nd2 h GLN 227 Ca 0.31 -0.04 -0.05 0.00 0.77 0.00 0.00 58.65 59.64 3nd2 h GLN 227 Cb 0.02 -0.15 -0.01 0.00 0.21 0.00 0.00 27.48 27.54 3nd2 h GLN 227 CO -0.05 0.45 0.04 0.28 -1.93 0.00 0.00 178.83 177.62 3nd2 h VAL 228 N 0.71 1.25 -0.34 2.39 2.07 -0.57 -1.43 116.25 120.32 3nd2 h VAL 228 Ca 0.28 -0.92 -0.11 0.00 0.82 0.00 0.00 66.70 66.78 3nd2 h VAL 228 Cb 0.13 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.99 3nd2 h VAL 228 CO -0.16 0.31 -0.22 0.58 0.02 0.00 0.00 177.57 178.10 3nd2 h VAL 229 N 0.49 1.29 -0.71 2.57 2.07 -1.11 -1.90 116.25 118.94 3nd2 h VAL 229 Ca 0.11 -1.36 -0.02 0.00 0.82 0.00 0.00 66.70 66.25 3nd2 h VAL 229 Cb 0.41 1.44 -0.03 0.00 -1.52 0.00 0.00 31.29 31.58 3nd2 h VAL 229 CO 0.01 0.44 0.38 0.00 0.02 0.00 0.00 177.57 178.43 3nd2 h GLU 231 N 0.98 0.96 0.00 0.00 5.08 -1.16 -2.60 114.58 117.84 3nd2 h GLU 231 Ca 0.25 -0.12 -0.04 0.00 -1.00 0.00 0.00 59.36 58.45 3nd2 h GLU 231 Cb 0.05 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.12 3nd2 h GLU 231 CO -0.04 0.73 -0.17 0.00 -1.00 0.00 0.00 179.01 178.53 3nd2 h ALA 232 N 1.41 1.57 0.00 3.43 0.00 -0.89 -1.47 119.26 123.31 3nd2 h ALA 232 Ca 0.24 -0.16 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3nd2 h ALA 232 Cb 0.08 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 17.83 3nd2 h ALA 232 CO -0.03 0.21 -0.12 1.79 0.00 0.00 0.00 179.25 181.10 3nd2 h THR 233 N 0.00 0.53 -0.22 0.00 1.35 -1.11 -2.57 112.91 110.88 3nd2 h THR 233 Ca -0.00 -0.57 0.00 0.00 -0.55 0.00 0.00 66.41 65.29 3nd2 h THR 233 Cb 0.33 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.13 3nd2 h THR 233 CO 0.02 0.12 0.00 0.00 -0.25 0.00 0.00 175.52 175.41 3nd2 n GLN 234 N -3.58 1.98 -2.77 4.72 1.13 -0.55 -4.72 117.38 113.58 3nd2 n GLN 234 Ca -0.02 -0.99 -0.33 0.00 -1.94 0.00 0.00 57.00 53.72 3nd2 n GLN 234 Cb 0.25 -1.49 -0.06 0.00 0.11 0.00 0.00 30.24 29.04 3nd2 n GLN 234 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 3nd2 s ALA 235 N -1.63 3.06 0.16 -1.58 0.00 -0.97 -4.99 121.76 115.82 3nd2 s ALA 235 Ca 0.18 0.34 -0.09 0.00 0.00 0.00 0.00 51.96 52.38 3nd2 s ALA 235 Cb 0.12 -3.12 0.02 0.00 0.00 0.00 0.00 23.12 20.13 3nd2 s ALA 235 CO 0.08 0.08 1.52 0.93 0.00 0.00 0.00 175.76 178.38 3nd2 h GLU 236 N 1.76 0.92 -6.44 0.00 5.08 -1.91 -3.43 114.58 110.55 3nd2 h GLU 236 Ca -0.49 -0.44 -0.54 0.00 -1.00 0.00 0.00 59.36 56.90 3nd2 h GLU 236 Cb 1.18 -0.01 0.01 0.00 0.50 0.00 0.00 28.75 30.44 3nd2 h GLU 236 CO 0.61 1.10 0.84 0.34 -1.00 0.00 0.00 179.01 180.90 3nd2 s ASP 237 N -6.79 6.79 0.41 1.42 3.68 -1.26 -4.90 116.67 116.01 3nd2 s ASP 237 Ca -0.11 2.26 0.23 0.00 2.13 0.00 0.00 52.55 57.06 3nd2 s ASP 237 Cb 0.12 -2.57 0.54 0.00 -1.45 0.00 0.00 42.92 39.56 3nd2 s ASP 237 CO 0.87 -0.74 1.67 -0.29 0.13 0.00 0.00 175.17 176.81 3nd2 h ILE 238 N 4.68 0.36 -0.16 4.11 2.10 -2.00 -2.53 117.51 124.07 3nd2 h ILE 238 Ca -0.40 -1.29 -0.10 0.00 1.08 0.00 0.00 64.86 64.15 3nd2 h ILE 238 Cb 1.19 1.99 -0.01 0.00 -1.09 0.00 0.00 36.82 38.90 3nd2 h ILE 238 CO 0.90 0.18 -0.36 -0.33 -1.08 0.00 0.00 178.15 177.46 3nd2 h GLU 239 N 0.00 0.33 -0.24 2.19 3.07 -1.96 -2.61 114.58 115.36 3nd2 h GLU 239 Ca -0.00 -0.15 -0.19 0.00 -0.50 0.00 0.00 59.36 58.52 3nd2 h GLU 239 Cb 0.98 -0.01 0.00 0.00 -0.84 0.00 0.00 28.75 28.88 3nd2 h GLU 239 CO 0.02 0.65 -0.59 0.28 -1.40 0.00 0.00 179.01 177.97 3nd2 h VAL 240 N 0.28 1.28 -0.16 3.13 2.07 -1.84 -2.69 116.25 118.33 3nd2 h VAL 240 Ca 0.03 -1.79 0.05 0.00 0.82 0.00 0.00 66.70 65.81 3nd2 h VAL 240 Cb 0.77 1.76 -0.05 0.00 -1.52 0.00 0.00 31.29 32.25 3nd2 h VAL 240 CO 0.06 0.58 -0.15 1.56 0.02 0.00 0.00 177.57 179.64 3nd2 h GLN 241 N 0.59 -0.16 -0.63 1.57 4.20 -1.42 -0.98 115.11 118.28 3nd2 h GLN 241 Ca -0.01 0.01 -0.03 0.00 0.06 0.00 0.00 58.65 58.68 3nd2 h GLN 241 Cb 1.21 0.04 -0.03 0.00 0.30 0.00 0.00 27.48 29.00 3nd2 h GLN 241 CO 0.13 -0.11 0.27 0.00 -0.67 0.00 0.00 178.83 178.45 3nd2 h ALA 242 N 0.93 0.81 -0.79 3.87 0.00 -1.49 -1.77 119.26 120.82 3nd2 h ALA 242 Ca 0.11 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.82 3nd2 h ALA 242 Cb 0.32 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.83 3nd2 h ALA 242 CO -0.26 0.41 0.34 0.00 0.00 0.00 0.00 179.25 179.74 3nd2 h ALA 243 N 1.11 1.10 -0.52 0.00 0.00 -1.32 0.39 119.26 120.02 3nd2 h ALA 243 Ca 0.21 -0.18 -0.06 0.00 0.00 0.00 0.00 54.91 54.88 3nd2 h ALA 243 Cb 0.17 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 3nd2 h ALA 243 CO -0.02 0.65 0.10 0.00 0.00 0.00 0.00 179.25 179.98 3nd2 h ALA 244 N 1.22 0.69 -0.50 0.00 0.00 -0.96 -0.14 119.26 119.57 3nd2 h ALA 244 Ca 0.27 -0.23 -0.08 0.00 0.00 0.00 0.00 54.91 54.86 3nd2 h ALA 244 Cb 0.18 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 3nd2 h ALA 244 CO -0.03 0.42 -0.01 0.74 0.00 0.00 0.00 179.25 180.37 3nd2 h PHE 245 N 0.74 0.91 -0.81 0.00 0.04 -0.92 -1.54 116.94 115.37 3nd2 h PHE 245 Ca 0.16 -0.14 0.11 0.00 2.80 0.00 0.00 57.97 60.90 3nd2 h PHE 245 Cb 0.39 -0.25 -0.08 0.00 2.20 0.00 0.00 35.95 38.21 3nd2 h PHE 245 CO 0.03 0.84 0.44 0.78 -0.60 0.00 0.00 178.31 179.80 3nd2 h GLY 246 N 0.98 1.27 1.18 -1.45 0.00 0.08 -0.43 103.07 104.70 3nd2 h GLY 246 Ca 0.15 -0.28 -0.11 0.00 0.00 0.00 0.00 47.33 47.08 3nd2 h GLY 246 CO 0.02 0.08 -0.12 0.00 0.00 0.00 0.00 176.54 176.53 3nd2 h LEU 248 N 0.85 1.05 0.68 0.00 3.38 -0.78 0.14 115.31 120.64 3nd2 h LEU 248 Ca 0.13 -0.11 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 3nd2 h LEU 248 Cb 0.66 -0.27 -0.00 0.00 0.09 0.00 0.00 40.66 41.14 3nd2 h LEU 248 CO 0.05 0.86 -0.41 0.00 0.09 0.00 0.00 178.44 179.03 3nd2 h LYS 250 N -1.02 0.75 -0.25 0.00 1.79 -1.20 0.70 116.57 117.34 3nd2 h LYS 250 Ca -0.09 -0.05 -0.00 0.00 -2.18 0.00 0.00 60.65 58.34 3nd2 h LYS 250 Cb 0.82 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 31.29 3nd2 h LYS 250 CO 0.10 0.50 0.15 0.82 -1.08 0.00 0.00 179.45 179.93 3nd2 h ILE 251 N 0.77 1.10 -0.91 1.86 2.04 -0.66 -1.12 117.51 120.59 3nd2 h ILE 251 Ca 0.33 -0.26 0.07 0.00 1.00 0.00 0.00 64.86 66.00 3nd2 h ILE 251 Cb 0.20 0.82 -0.07 0.00 -0.74 0.00 0.00 36.82 37.04 3nd2 h ILE 251 CO -0.19 0.10 0.57 -0.03 0.00 0.00 0.00 178.15 178.60 3nd2 h MET 252 N 0.30 0.99 -0.73 2.37 4.05 -0.58 0.66 114.93 121.99 3nd2 h MET 252 Ca 0.09 -0.06 -0.03 0.00 -0.28 0.00 0.00 59.70 59.42 3nd2 h MET 252 Cb 0.04 -0.22 -0.03 0.00 -0.80 0.00 0.00 31.60 30.58 3nd2 h MET 252 CO -0.02 0.65 0.33 1.03 0.23 0.00 0.00 176.91 179.14 3nd2 h SER 253 N 1.02 0.95 0.00 1.39 0.87 -0.14 -2.25 113.55 115.38 3nd2 h SER 253 Ca 0.41 -0.11 -0.11 0.00 -1.23 0.00 0.00 61.79 60.74 3nd2 h SER 253 Cb 0.22 -0.24 -0.02 0.00 -0.44 0.00 0.00 62.40 61.92 3nd2 h SER 253 CO -0.19 0.81 -1.91 0.18 -0.53 0.00 0.00 176.83 175.19 3nd2 n LEU 254 N -4.32 0.00 -2.31 2.23 4.77 -0.49 -4.63 117.00 112.25 3nd2 n LEU 254 Ca 0.07 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.91 3nd2 n LEU 254 Cb 0.15 0.15 0.04 0.00 -2.33 0.00 0.00 43.42 41.42 3nd2 n LEU 254 CO 0.39 0.15 0.11 -1.22 -1.33 0.00 0.00 177.39 175.48 3nd2 n TYR 255 N -2.29 2.08 -0.37 -1.77 4.01 0.23 -4.86 117.16 114.20 3nd2 n TYR 255 Ca -0.12 -2.16 0.27 0.00 -0.16 0.00 0.00 57.90 55.74 3nd2 n TYR 255 Cb 0.66 -0.29 0.55 0.00 -0.31 0.00 0.00 39.34 39.95 3nd2 n TYR 255 CO 0.00 0.00 0.00 -0.92 -0.46 0.00 0.00 176.86 175.48 3nd2 h TYR 256 N 2.31 0.67 0.00 -0.72 5.03 -1.51 -2.38 116.97 120.37 3nd2 h TYR 256 Ca 0.16 0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.49 3nd2 h TYR 256 Cb 1.43 -0.18 0.00 0.00 1.55 0.00 0.00 36.73 39.53 3nd2 h TYR 256 CO 0.70 -0.07 0.00 0.00 -1.32 0.00 0.00 178.16 177.48 3nd2 h THR 257 N 0.28 0.00 -0.35 1.81 1.03 -1.89 -2.60 112.91 111.20 3nd2 h THR 257 Ca 0.69 -0.32 0.00 0.00 -0.01 0.00 0.00 66.41 66.78 3nd2 h THR 257 Cb 1.88 1.14 0.00 0.00 -1.07 0.00 0.00 68.15 70.10 3nd2 h THR 257 CO -0.39 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 175.61 3nd2 n PHE 258 N -2.57 0.46 0.91 0.00 3.72 -0.89 -4.69 117.46 114.38 3nd2 n PHE 258 Ca 0.01 -0.40 0.12 0.00 -0.05 0.00 0.00 57.45 57.13 3nd2 n PHE 258 Cb 0.24 -0.02 0.15 0.00 -0.94 0.00 0.00 39.48 38.92 3nd2 n PHE 258 CO 0.00 0.00 0.00 -1.33 -0.05 0.00 0.00 176.76 175.38 3nd2 n MET 259 N 0.76 0.06 0.24 -1.08 2.81 -0.98 -4.41 117.12 114.52 3nd2 n MET 259 Ca 0.13 0.01 -0.15 0.00 -1.81 0.00 0.00 57.70 55.87 3nd2 n MET 259 Cb 0.44 -1.53 -0.08 0.00 -0.71 0.00 0.00 33.22 31.35 3nd2 n MET 259 CO 0.00 0.00 0.00 -0.22 1.51 0.00 0.00 175.97 177.26 3nd2 h LYS 260 N 0.00 -0.60 -0.99 0.03 3.64 -1.84 -0.65 116.57 116.17 3nd2 h LYS 260 Ca 0.00 0.04 0.12 0.00 -1.27 0.00 0.00 60.65 59.54 3nd2 h LYS 260 Cb 0.55 0.14 -0.08 0.00 -0.41 0.00 0.00 32.23 32.43 3nd2 h LYS 260 CO 0.00 -0.40 0.63 -1.35 -2.27 0.00 0.00 179.45 176.06 3nd2 h PRO 261 N -0.62 0.93 -0.02 1.90 0.11 -1.97 -1.25 132.00 131.08 3nd2 h PRO 261 Ca -0.04 -0.06 -0.15 0.00 0.11 0.00 0.00 66.00 65.86 3nd2 h PRO 261 Cb 0.52 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 3nd2 h PRO 261 CO 0.03 0.62 -0.69 1.88 -0.21 0.00 0.00 178.00 179.62 3nd2 h TYR 262 N 0.96 0.14 -0.33 0.65 0.05 -1.75 -0.14 116.97 116.55 3nd2 h TYR 262 Ca 0.49 -0.06 -0.07 0.00 0.05 0.00 0.00 58.73 59.14 3nd2 h TYR 262 Cb 0.52 -0.02 -0.01 0.00 1.01 0.00 0.00 36.73 38.22 3nd2 h TYR 262 CO -0.00 0.76 -0.07 0.52 -1.05 0.00 0.00 178.16 178.32 3nd2 h MET 263 N 0.07 0.64 -0.23 4.88 2.86 -0.71 0.38 114.93 122.82 3nd2 h MET 263 Ca -0.01 -0.24 -0.09 0.00 -2.06 0.00 0.00 59.70 57.30 3nd2 h MET 263 Cb 1.23 -0.04 -0.00 0.00 0.06 0.00 0.00 31.60 32.85 3nd2 h MET 263 CO 0.10 0.81 -0.20 0.93 1.06 0.00 0.00 176.91 179.60 3nd2 h GLU 264 N 0.42 0.55 0.04 1.72 5.08 -1.03 -2.15 114.58 119.22 3nd2 h GLU 264 Ca 0.09 -0.28 -0.25 0.00 -1.00 0.00 0.00 59.36 57.92 3nd2 h GLU 264 Cb 0.57 0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.83 3nd2 h GLU 264 CO 0.03 0.86 -1.05 -0.56 -1.00 0.00 0.00 179.01 177.30 3nd2 h GLN 265 N 0.25 0.45 0.00 2.33 3.07 -1.11 -3.46 115.11 116.64 3nd2 h GLN 265 Ca 0.04 -0.54 0.00 0.00 0.09 0.00 0.00 58.65 58.24 3nd2 h GLN 265 Cb 0.75 0.17 0.00 0.00 0.08 0.00 0.00 27.48 28.47 3nd2 h GLN 265 CO 0.05 1.19 0.00 0.00 0.09 0.00 0.00 178.83 180.16 3nd2 n ALA 266 N -2.57 1.22 0.09 0.06 0.00 -0.84 -5.00 120.51 113.47 3nd2 n ALA 266 Ca -0.08 0.00 -0.16 0.00 0.00 0.00 0.00 53.44 53.19 3nd2 n ALA 266 Cb 0.89 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.24 3nd2 n ALA 266 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 3nd2 h LEU 267 N 0.00 0.55 0.14 0.00 3.38 -0.26 -2.39 115.31 116.74 3nd2 h LEU 267 Ca 0.00 -0.52 0.01 0.00 0.09 0.00 0.00 57.88 57.46 3nd2 h LEU 267 Cb 0.00 -0.18 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 3nd2 h LEU 267 CO 0.00 1.36 -0.16 0.22 0.09 0.00 0.00 178.44 179.95 3nd2 h TYR 268 N 0.17 -0.41 -0.37 1.13 5.03 -1.60 -1.36 116.97 119.56 3nd2 h TYR 268 Ca -0.13 0.00 -0.14 0.00 2.58 0.00 0.00 58.73 61.05 3nd2 h TYR 268 Cb 1.82 0.16 -0.01 0.00 1.55 0.00 0.00 36.73 40.26 3nd2 h TYR 268 CO 0.07 -0.24 -0.30 0.00 -1.32 0.00 0.00 178.16 176.37 3nd2 h ALA 269 N 0.48 0.54 0.69 1.82 0.00 -1.79 -2.73 119.26 118.27 3nd2 h ALA 269 Ca 0.01 -0.42 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 3nd2 h ALA 269 Cb 0.33 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.01 3nd2 h ALA 269 CO -0.05 0.58 -0.33 1.25 0.00 0.00 0.00 179.25 180.69 3nd2 h LEU 270 N 0.66 -0.79 -1.35 0.00 6.46 -1.38 -1.49 115.31 117.43 3nd2 h LEU 270 Ca 0.07 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.79 3nd2 h LEU 270 Cb 0.89 0.20 -0.01 0.00 -0.73 0.00 0.00 40.66 41.01 3nd2 h LEU 270 CO 0.08 -0.54 -0.08 0.71 -0.62 0.00 0.00 178.44 177.99 3nd2 h THR 271 N -0.97 1.18 0.01 1.05 1.35 -1.31 -2.11 112.91 112.11 3nd2 h THR 271 Ca -0.10 -0.77 -0.20 0.00 -0.55 0.00 0.00 66.41 64.80 3nd2 h THR 271 Cb 0.73 1.12 -0.02 0.00 -1.73 0.00 0.00 68.15 68.24 3nd2 h THR 271 CO 0.16 0.25 -0.90 0.40 -0.25 0.00 0.00 175.52 175.17 3nd2 h ILE 272 N 0.32 1.57 -0.13 6.82 2.04 -1.46 -2.96 117.51 123.70 3nd2 h ILE 272 Ca 0.07 -2.86 -0.12 0.00 1.00 0.00 0.00 64.86 62.95 3nd2 h ILE 272 Cb 0.35 2.58 0.00 0.00 -0.74 0.00 0.00 36.82 39.02 3nd2 h ILE 272 CO 0.02 0.82 -0.38 0.00 0.00 0.00 0.00 178.15 178.61 3nd2 h ALA 273 N 1.03 0.22 -0.00 1.87 0.00 -0.87 -3.24 119.26 118.28 3nd2 h ALA 273 Ca -0.03 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3nd2 h ALA 273 Cb 1.56 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 19.33 3nd2 h ALA 273 CO 0.13 0.31 -0.00 -2.37 0.00 0.00 0.00 179.25 177.32 3nd2 n THR 274 N -4.32 0.00 0.13 0.00 5.66 -0.83 -2.11 114.28 112.82 3nd2 n THR 274 Ca -0.07 -0.01 0.15 0.00 -3.05 0.00 0.00 64.05 61.07 3nd2 n THR 274 Cb 0.53 -0.47 0.69 0.00 -1.55 0.00 0.00 70.33 69.53 3nd2 n THR 274 CO 0.00 0.00 0.00 -0.03 -3.05 0.00 0.00 175.07 171.99 3nd2 h MET 275 N 0.07 0.00 -0.15 1.09 -1.53 -1.54 0.14 114.93 113.02 3nd2 h MET 275 Ca 0.00 0.00 0.00 0.00 -3.44 0.00 0.00 59.70 56.26 3nd2 h MET 275 Cb 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 31.16 3nd2 h MET 275 CO 0.00 0.00 0.00 1.63 0.14 0.00 0.00 176.91 178.68 3nd2 n LYS 276 N -4.38 1.42 -1.77 0.39 5.02 -0.90 -4.85 118.16 113.10 3nd2 n LYS 276 Ca 0.03 -0.64 -0.41 0.00 -2.02 0.00 0.00 58.31 55.27 3nd2 n LYS 276 Cb 0.36 -1.24 -0.01 0.00 -0.02 0.00 0.00 35.03 34.13 3nd2 n LYS 276 CO 0.00 0.00 0.00 0.45 -0.52 0.00 0.00 177.40 177.33 3nd2 s SER 277 N -1.26 6.32 0.31 4.39 0.15 0.04 -4.89 113.70 118.77 3nd2 s SER 277 Ca 0.21 3.04 0.25 0.00 0.70 0.00 0.00 55.95 60.15 3nd2 s SER 277 Cb 0.10 -2.66 1.07 0.00 -1.71 0.00 0.00 66.02 62.82 3nd2 s SER 277 CO 0.16 -0.91 1.76 -0.65 1.20 0.00 0.00 173.24 174.79 3nd2 h PRO 278 N 3.71 0.00 -5.69 5.44 0.11 -1.93 -3.42 132.00 130.22 3nd2 h PRO 278 Ca -0.49 0.00 -0.63 0.00 0.11 0.00 0.00 66.00 64.99 3nd2 h PRO 278 Cb 1.23 0.00 -0.13 0.00 0.11 0.00 0.00 31.00 32.21 3nd2 h PRO 278 CO 0.70 0.00 0.39 1.21 -0.21 0.00 0.00 178.00 180.09 3nd2 s ASN 279 N -4.50 6.36 0.22 -2.05 2.47 -1.26 -4.95 114.94 111.22 3nd2 s ASN 279 Ca 0.03 -0.32 -0.19 0.00 0.42 0.00 0.00 52.86 52.80 3nd2 s ASN 279 Cb 0.09 -2.39 0.20 0.00 -1.45 0.00 0.00 41.25 37.70 3nd2 s ASN 279 CO 0.41 -1.04 1.56 -0.78 -3.72 0.00 0.00 177.10 173.54 3nd2 h ASP 280 N 9.11 -1.39 -0.12 -4.21 3.58 -1.99 0.79 116.42 122.21 3nd2 h ASP 280 Ca -0.26 0.29 -0.08 0.00 0.42 0.00 0.00 57.03 57.41 3nd2 h ASP 280 Cb 1.08 0.72 -0.02 0.00 1.72 0.00 0.00 39.33 42.83 3nd2 h ASP 280 CO 1.01 -0.29 -0.15 0.50 -2.88 0.00 0.00 179.24 177.43 3nd2 h LYS 281 N -0.05 0.48 -0.11 0.28 1.63 -1.96 0.21 116.57 117.06 3nd2 h LYS 281 Ca 0.31 -0.15 -0.07 0.00 -0.85 0.00 0.00 60.65 59.90 3nd2 h LYS 281 Cb 0.58 -0.05 0.00 0.00 -0.60 0.00 0.00 32.23 32.16 3nd2 h LYS 281 CO -0.90 0.63 -0.19 0.28 -3.45 0.00 0.00 179.45 175.81 3nd2 h VAL 282 N 0.45 1.38 -0.65 2.00 2.07 -1.49 -2.02 116.25 117.99 3nd2 h VAL 282 Ca 0.08 -1.46 0.06 0.00 0.82 0.00 0.00 66.70 66.20 3nd2 h VAL 282 Cb 0.52 2.08 -0.04 0.00 -1.52 0.00 0.00 31.29 32.34 3nd2 h VAL 282 CO 0.03 0.42 0.43 0.00 0.02 0.00 0.00 177.57 178.47 3nd2 h ALA 283 N 0.53 1.76 -0.63 1.67 0.00 -0.74 -2.38 119.26 119.47 3nd2 h ALA 283 Ca 0.01 -0.02 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 3nd2 h ALA 283 Cb 0.77 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3nd2 h ALA 283 CO 0.04 0.14 0.07 0.77 0.00 0.00 0.00 179.25 180.27 3nd2 h SER 284 N 0.66 1.04 -0.50 0.00 0.02 -0.49 -2.77 113.55 111.51 3nd2 h SER 284 Ca 0.28 -0.28 -0.10 0.00 -0.84 0.00 0.00 61.79 60.85 3nd2 h SER 284 Cb 0.25 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.49 3nd2 h SER 284 CO -0.08 1.06 -0.07 0.24 -1.14 0.00 0.00 176.83 176.83 3nd2 h MET 285 N 0.99 0.96 -0.32 3.45 2.86 -0.86 -0.61 114.93 121.39 3nd2 h MET 285 Ca 0.19 -0.32 -0.10 0.00 -2.06 0.00 0.00 59.70 57.40 3nd2 h MET 285 Cb 0.48 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 32.05 3nd2 h MET 285 CO 0.02 0.99 -0.23 1.79 1.06 0.00 0.00 176.91 180.54 3nd2 h THR 286 N 0.87 1.27 -0.58 2.22 1.35 -1.50 -0.94 112.91 115.60 3nd2 h THR 286 Ca 0.15 -1.29 -0.10 0.00 -0.55 0.00 0.00 66.41 64.62 3nd2 h THR 286 Cb 0.61 1.27 -0.02 0.00 -1.73 0.00 0.00 68.15 68.28 3nd2 h THR 286 CO 0.04 0.42 -0.02 0.58 -0.25 0.00 0.00 175.52 176.29 3nd2 h VAL 287 N 0.55 1.26 -0.23 6.82 2.07 -1.32 -2.85 116.25 122.55 3nd2 h VAL 287 Ca 0.08 -1.15 -0.09 0.00 0.82 0.00 0.00 66.70 66.36 3nd2 h VAL 287 Cb 0.69 0.83 -0.01 0.00 -1.52 0.00 0.00 31.29 31.28 3nd2 h VAL 287 CO 0.05 0.42 -0.25 -0.08 0.02 0.00 0.00 177.57 177.73 3nd2 h GLU 288 N 0.93 0.43 -0.65 1.57 4.57 -0.91 -0.66 114.58 119.86 3nd2 h GLU 288 Ca 0.16 -0.16 0.10 0.00 -1.18 0.00 0.00 59.36 58.29 3nd2 h GLU 288 Cb 0.56 -0.03 -0.08 0.00 -0.16 0.00 0.00 28.75 29.05 3nd2 h GLU 288 CO 0.03 0.65 0.25 0.35 -1.18 0.00 0.00 179.01 179.12 3nd2 h PHE 289 N 0.38 0.44 0.08 0.92 3.57 -0.95 0.69 116.94 122.07 3nd2 h PHE 289 Ca 0.06 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.34 3nd2 h PHE 289 Cb 0.65 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 39.29 3nd2 h PHE 289 CO 0.02 0.10 -1.12 -1.49 -2.23 0.00 0.00 178.31 173.59 3nd2 h TRP 290 N 0.43 0.51 -0.61 0.41 4.06 -1.26 -2.27 115.95 117.22 3nd2 h TRP 290 Ca 0.33 -0.34 0.11 0.00 2.06 0.00 0.00 58.89 61.05 3nd2 h TRP 290 Cb 0.43 -0.04 -0.08 0.00 -1.00 0.00 0.00 29.16 28.47 3nd2 h TRP 290 CO -0.16 1.22 0.19 0.77 -3.56 0.00 0.00 178.44 176.89 3nd2 h SER 291 N 0.12 0.14 -0.43 -3.49 0.02 -0.88 -1.44 113.55 107.60 3nd2 h SER 291 Ca -0.11 0.09 -0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nd2 h SER 291 Cb 1.81 0.10 -0.02 0.00 0.14 0.00 0.00 62.40 64.43 3nd2 h SER 291 CO 0.19 0.08 0.26 0.74 -1.14 0.00 0.00 176.83 176.95 3nd2 h THR 292 N 0.35 1.14 -0.45 -2.27 2.02 -0.71 -1.44 112.91 111.55 3nd2 h THR 292 Ca 0.32 -0.33 0.07 0.00 0.77 0.00 0.00 66.41 67.24 3nd2 h THR 292 Cb 0.44 0.58 -0.06 0.00 -1.74 0.00 0.00 68.15 67.36 3nd2 h THR 292 CO -0.35 0.14 0.08 0.40 0.37 0.00 0.00 175.52 176.17 3nd2 h ILE 293 N 0.57 0.75 0.10 3.11 2.04 -1.10 -0.07 117.51 122.92 3nd2 h ILE 293 Ca 0.15 -0.07 -0.00 0.00 1.00 0.00 0.00 64.86 65.94 3nd2 h ILE 293 Cb 0.01 0.52 0.00 0.00 -0.74 0.00 0.00 36.82 36.61 3nd2 h ILE 293 CO -0.03 0.04 -0.05 0.00 0.00 0.00 0.00 178.15 178.11 3nd2 h GLU 295 N -0.21 -0.04 -0.19 0.00 5.08 -1.07 0.34 114.58 118.49 3nd2 h GLU 295 Ca -0.01 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.38 3nd2 h GLU 295 Cb 0.17 0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.40 3nd2 h GLU 295 CO 0.02 -0.03 -0.00 0.93 -1.00 0.00 0.00 179.01 178.93 3nd2 h GLU 296 N -0.05 0.06 -0.44 2.33 4.39 -0.80 -1.73 114.58 118.35 3nd2 h GLU 296 Ca 0.22 -0.00 -0.08 0.00 0.34 0.00 0.00 59.36 59.84 3nd2 h GLU 296 Cb 0.38 -0.01 -0.02 0.00 -0.10 0.00 0.00 28.75 29.00 3nd2 h GLU 296 CO -0.49 0.04 -0.04 0.93 -1.16 0.00 0.00 179.01 178.29 3nd2 h GLU 297 N 0.06 0.74 -0.66 2.33 5.08 -0.74 -1.19 114.58 120.20 3nd2 h GLU 297 Ca 0.09 -0.21 -0.03 0.00 -1.00 0.00 0.00 59.36 58.21 3nd2 h GLU 297 Cb 0.11 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.25 3nd2 h GLU 297 CO -0.15 0.78 0.30 0.82 -1.00 0.00 0.00 179.01 179.76 3nd2 h ILE 298 N 0.69 1.23 -0.48 3.13 2.04 -0.17 -1.69 117.51 122.26 3nd2 h ILE 298 Ca 0.13 -0.66 -0.06 0.00 1.00 0.00 0.00 64.86 65.27 3nd2 h ILE 298 Cb 0.48 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 36.98 3nd2 h ILE 298 CO 0.02 0.27 0.07 0.44 0.00 0.00 0.00 178.15 178.95 3nd2 h ASP 299 N 0.92 0.78 -0.26 1.72 3.32 -1.01 -2.27 116.42 119.62 3nd2 h ASP 299 Ca 0.23 -0.27 0.00 0.00 0.02 0.00 0.00 57.03 57.01 3nd2 h ASP 299 Cb 0.14 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3nd2 h ASP 299 CO -0.03 0.85 0.17 0.40 -1.72 0.00 0.00 179.24 178.92 3nd2 h ILE 300 N 0.68 1.06 -0.23 0.35 2.04 -1.14 -0.42 117.51 119.85 3nd2 h ILE 300 Ca 0.15 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.92 3nd2 h ILE 300 Cb 0.41 0.68 -0.01 0.00 -0.74 0.00 0.00 36.82 37.16 3nd2 h ILE 300 CO 0.01 0.06 0.16 0.00 0.00 0.00 0.00 178.15 178.38 3nd2 h ALA 301 N 1.10 2.02 0.00 1.87 0.00 -1.21 -1.01 119.26 122.02 3nd2 h ALA 301 Ca 0.10 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.89 3nd2 h ALA 301 Cb -0.03 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.70 3nd2 h ALA 301 CO -0.03 -0.06 -0.53 -0.92 0.00 0.00 0.00 179.25 177.72 3nd2 h TYR 302 N 0.16 0.00 0.00 0.00 3.20 -0.86 -3.26 116.97 116.21 3nd2 h TYR 302 Ca 0.10 0.00 -0.19 0.00 3.14 0.00 0.00 58.73 61.78 3nd2 h TYR 302 Cb 0.20 0.00 -0.03 0.00 1.54 0.00 0.00 36.73 38.44 3nd2 h TYR 302 CO -0.00 0.53 -0.91 1.49 -1.64 0.00 0.00 178.16 177.63 3nd2 h GLU 303 N 0.00 0.01 -0.01 1.82 4.57 0.17 -2.03 114.58 119.11 3nd2 h GLU 303 Ca -0.01 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 58.16 3nd2 h GLU 303 Cb 1.35 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.94 3nd2 h GLU 303 CO 0.07 0.91 0.00 1.28 -1.18 0.00 0.00 179.01 180.09 3nd2 n LEU 304 N -3.48 0.12 -0.03 1.64 4.77 -0.65 -1.60 117.00 117.77 3nd2 n LEU 304 Ca -0.01 -0.04 -0.03 0.00 -0.03 0.00 0.00 56.01 55.90 3nd2 n LEU 304 Cb 0.86 -0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.90 3nd2 n LEU 304 CO 0.46 0.02 -0.68 0.00 -1.33 0.00 0.00 177.39 175.87 3nd2 n ALA 305 N -0.80 1.87 -0.06 -1.18 0.00 -1.17 -4.05 120.51 115.13 3nd2 n ALA 305 Ca 0.18 -0.36 -0.16 0.00 0.00 0.00 0.00 53.44 53.11 3nd2 n ALA 305 Cb 0.10 0.13 -0.13 0.00 0.00 0.00 0.00 19.45 19.55 3nd2 n ALA 305 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3nd2 h GLN 306 N 0.00 0.04 -2.87 0.00 7.50 -1.38 -3.41 115.11 115.00 3nd2 h GLN 306 Ca -0.15 -0.07 -0.61 0.00 0.50 0.00 0.00 58.65 58.32 3nd2 h GLN 306 Cb 1.32 0.03 -0.41 0.00 0.05 0.00 0.00 27.48 28.46 3nd2 h GLN 306 CO 0.01 1.03 -0.64 1.19 -1.50 0.00 0.00 178.83 178.92 3nd2 n PHE 307 N -4.51 2.61 0.28 2.96 3.72 -0.63 -4.99 117.46 116.90 3nd2 n PHE 307 Ca -0.14 -4.14 0.12 0.00 -0.05 0.00 0.00 57.45 53.24 3nd2 n PHE 307 Cb 0.56 -0.48 0.62 0.00 -0.94 0.00 0.00 39.48 39.23 3nd2 n PHE 307 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 3nd2 h PRO 308 N 5.27 0.00 0.00 -1.08 0.11 -1.72 0.21 132.00 134.79 3nd2 h PRO 308 Ca 0.17 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.28 3nd2 h PRO 308 Cb 0.77 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.88 3nd2 h PRO 308 CO 0.67 0.00 -0.27 0.00 -0.21 0.00 0.00 178.00 178.19 3nd2 n GLN 309 N -2.60 0.10 -1.43 1.05 -0.00 -1.26 -4.91 117.38 108.33 3nd2 n GLN 309 Ca -0.02 0.05 -0.39 0.00 -0.00 0.00 0.00 57.00 56.65 3nd2 n GLN 309 Cb 0.40 -1.59 0.02 0.00 -0.00 0.00 0.00 30.24 29.08 3nd2 n GLN 309 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.06 175.93 3nd2 n SER 310 N -1.75 -1.40 0.04 2.61 3.41 0.74 -4.94 113.62 112.33 3nd2 n SER 310 Ca 0.06 0.78 -0.11 0.00 -0.26 0.00 0.00 58.87 59.34 3nd2 n SER 310 Cb 0.37 -1.10 -0.05 0.00 -0.26 0.00 0.00 64.21 63.17 3nd2 n SER 310 CO 0.00 0.00 0.00 -0.65 -0.16 0.00 0.00 175.04 174.23 3nd2 h PRO 311 N 0.38 -0.17 -7.15 4.33 0.11 -1.96 -3.46 132.00 124.07 3nd2 h PRO 311 Ca -0.43 0.01 -0.43 0.00 0.11 0.00 0.00 66.00 65.26 3nd2 h PRO 311 Cb 1.41 0.04 0.21 0.00 0.11 0.00 0.00 31.00 32.76 3nd2 h PRO 311 CO 0.48 -0.11 0.01 -0.48 -0.21 0.00 0.00 178.00 177.68 3nd2 s LEU 312 N -10.32 0.62 -0.29 2.35 0.05 -1.26 -5.06 118.68 104.77 3nd2 s LEU 312 Ca -0.14 1.39 -0.15 0.00 0.05 0.00 0.00 54.13 55.28 3nd2 s LEU 312 Cb 0.08 -3.25 0.14 0.00 -2.05 0.00 0.00 46.19 41.11 3nd2 s LEU 312 CO 0.67 -4.29 0.90 -1.58 -0.55 0.00 0.00 176.35 171.50 3nd2 s GLN 313 N -4.55 0.42 0.50 1.48 0.74 -1.26 -5.00 119.66 111.99 3nd2 s GLN 313 Ca 0.68 0.85 -0.18 0.00 0.05 0.00 0.00 55.36 56.76 3nd2 s GLN 313 Cb -0.24 0.30 -0.08 0.00 1.10 0.00 0.00 33.01 34.09 3nd2 s GLN 313 CO 0.64 -0.11 1.00 0.45 -0.55 0.00 0.00 175.29 176.72 3nd2 s SER 314 N 1.92 6.51 0.00 6.67 0.15 -1.26 -4.97 113.70 122.72 3nd2 s SER 314 Ca -0.07 1.72 0.17 0.00 0.70 0.00 0.00 55.95 58.47 3nd2 s SER 314 Cb -0.06 -2.53 0.16 0.00 -1.71 0.00 0.00 66.02 61.88 3nd2 s SER 314 CO -0.17 -0.66 1.06 -1.22 1.20 0.00 0.00 173.24 173.45 3nd2 n TYR 315 N -1.27 0.06 -4.04 3.44 4.01 -1.26 -5.01 117.16 113.09 3nd2 n TYR 315 Ca 0.08 -0.05 -0.36 0.00 -0.16 0.00 0.00 57.90 57.41 3nd2 n TYR 315 Cb 0.53 -0.00 -0.02 0.00 -0.31 0.00 0.00 39.34 39.55 3nd2 n TYR 315 CO 0.00 0.00 0.00 0.09 -0.46 0.00 0.00 176.86 176.49 3nd2 n ASN 316 N 0.94 -2.22 0.00 7.72 3.02 -1.26 -4.91 115.26 118.55 3nd2 n ASN 316 Ca 0.10 -1.18 -0.12 0.00 -0.03 0.00 0.00 54.58 53.35 3nd2 n ASN 316 Cb 0.42 -2.25 -0.08 0.00 -0.61 0.00 0.00 39.78 37.27 3nd2 n ASN 316 CO 0.00 0.00 0.00 -0.26 -2.62 0.00 0.00 177.26 174.38 3nd2 h PHE 317 N -2.12 0.06 0.11 3.10 0.04 -1.95 -2.60 116.94 113.57 3nd2 h PHE 317 Ca -0.67 -0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.09 3nd2 h PHE 317 Cb 1.39 -0.02 -0.01 0.00 2.20 0.00 0.00 35.95 39.52 3nd2 h PHE 317 CO 0.43 0.28 -0.09 0.00 -0.60 0.00 0.00 178.31 178.33 3nd2 h ALA 318 N 0.77 -0.18 -0.90 2.45 0.00 -1.92 -2.09 119.26 117.39 3nd2 h ALA 318 Ca 0.01 -0.03 0.10 0.00 0.00 0.00 0.00 54.91 54.99 3nd2 h ALA 318 Cb 0.25 0.12 -0.07 0.00 0.00 0.00 0.00 17.79 18.09 3nd2 h ALA 318 CO 0.00 -0.61 0.58 1.25 0.00 0.00 0.00 179.25 180.47 3nd2 h LEU 319 N -0.20 0.80 -0.90 0.00 6.46 -1.96 -1.44 115.31 118.07 3nd2 h LEU 319 Ca -0.00 0.03 -0.04 0.00 -0.12 0.00 0.00 57.88 57.75 3nd2 h LEU 319 Cb 0.19 -0.14 -0.01 0.00 -0.73 0.00 0.00 40.66 39.97 3nd2 h LEU 319 CO -0.01 0.46 -0.17 0.28 -0.62 0.00 0.00 178.44 178.39 3nd2 h SER 320 N 0.88 0.00 -0.02 1.25 0.02 -1.05 -3.32 113.55 111.31 3nd2 h SER 320 Ca 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.37 3nd2 h SER 320 Cb 0.44 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.98 3nd2 h SER 320 CO -0.19 0.17 -0.36 -1.54 -1.14 0.00 0.00 176.83 173.77 3nd2 n SER 321 N -3.25 1.95 -0.24 3.07 3.41 -0.57 -4.55 113.62 113.43 3nd2 n SER 321 Ca 0.01 -1.47 0.21 0.00 -0.26 0.00 0.00 58.87 57.36 3nd2 n SER 321 Cb 0.45 0.42 0.55 0.00 -0.26 0.00 0.00 64.21 65.37 3nd2 n SER 321 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 3nd2 h ILE 322 N 2.36 0.64 0.00 -1.33 2.04 -1.58 0.36 117.51 120.00 3nd2 h ILE 322 Ca 0.00 -0.11 -0.08 0.00 1.00 0.00 0.00 64.86 65.67 3nd2 h ILE 322 Cb 0.68 0.28 -0.01 0.00 -0.74 0.00 0.00 36.82 37.04 3nd2 h ILE 322 CO 0.00 0.06 -0.36 0.11 0.00 0.00 0.00 178.15 177.96 3nd2 h LYS 323 N 0.32 0.00 0.00 2.37 6.56 -1.88 -2.76 116.57 121.18 3nd2 h LYS 323 Ca 0.47 0.00 -0.40 0.00 -1.06 0.00 0.00 60.65 59.66 3nd2 h LYS 323 Cb 1.31 0.00 -0.07 0.00 -0.57 0.00 0.00 32.23 32.91 3nd2 h LYS 323 CO -0.16 0.36 -2.46 -0.25 -2.06 0.00 0.00 179.45 174.89 3nd2 n ASP 324 N -3.47 2.00 -0.03 0.86 8.00 0.13 -4.63 116.55 119.41 3nd2 n ASP 324 Ca 0.00 0.01 -0.15 0.00 0.71 0.00 0.00 54.79 55.36 3nd2 n ASP 324 Cb 0.52 -0.52 -0.12 0.00 -0.02 0.00 0.00 41.12 40.97 3nd2 n ASP 324 CO 0.00 0.00 0.00 0.58 -0.39 0.00 0.00 177.20 177.39 3nd2 h VAL 325 N -0.31 1.60 -0.21 2.53 2.07 -0.49 -3.31 116.25 118.13 3nd2 h VAL 325 Ca -0.60 -2.09 -0.00 0.00 0.82 0.00 0.00 66.70 64.82 3nd2 h VAL 325 Cb 1.79 2.96 -0.01 0.00 -1.52 0.00 0.00 31.29 34.50 3nd2 h VAL 325 CO -0.19 0.57 0.12 0.58 0.02 0.00 0.00 177.57 178.67 3nd2 h VAL 326 N -0.60 1.09 -0.54 2.57 2.07 -1.68 0.52 116.25 119.69 3nd2 h VAL 326 Ca -0.04 -0.23 0.06 0.00 0.82 0.00 0.00 66.70 67.31 3nd2 h VAL 326 Cb 1.07 0.87 -0.03 0.00 -1.52 0.00 0.00 31.29 31.67 3nd2 h VAL 326 CO 0.05 0.09 0.36 -0.65 0.02 0.00 0.00 177.57 177.44 3nd2 h PRO 327 N 0.25 0.47 -0.45 1.57 0.11 -1.74 0.76 132.00 132.97 3nd2 h PRO 327 Ca 0.08 -0.03 -0.12 0.00 0.11 0.00 0.00 66.00 66.04 3nd2 h PRO 327 Cb 0.04 -0.11 -0.01 0.00 0.11 0.00 0.00 31.00 31.03 3nd2 h PRO 327 CO -0.01 0.31 -0.19 -0.91 -0.21 0.00 0.00 178.00 176.99 3nd2 h ASN 328 N 0.48 0.90 -0.83 -2.05 4.21 -1.44 -2.37 115.58 114.48 3nd2 h ASN 328 Ca 0.23 -0.32 -0.00 0.00 1.21 0.00 0.00 56.30 57.42 3nd2 h ASN 328 Cb 0.31 -0.25 -0.04 0.00 -1.12 0.00 0.00 38.32 37.22 3nd2 h ASN 328 CO -0.06 1.07 0.51 -0.07 -1.29 0.00 0.00 177.43 177.59 3nd2 h LEU 329 N 0.78 0.98 -0.39 1.61 3.38 0.29 -2.64 115.31 119.32 3nd2 h LEU 329 Ca 0.11 -0.06 -0.03 0.00 0.09 0.00 0.00 57.88 57.99 3nd2 h LEU 329 Cb 0.73 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.22 3nd2 h LEU 329 CO 0.06 0.75 0.11 -0.07 0.09 0.00 0.00 178.44 179.38 3nd2 h LEU 330 N 1.13 0.57 -1.37 1.67 3.38 -0.77 -2.76 115.31 117.17 3nd2 h LEU 330 Ca 0.30 -0.21 -0.04 0.00 0.09 0.00 0.00 57.88 58.01 3nd2 h LEU 330 Cb -0.07 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 3nd2 h LEU 330 CO -0.06 0.64 -0.00 0.78 0.09 0.00 0.00 178.44 179.89 3nd2 h ASN 331 N 0.48 0.38 0.66 -0.43 2.35 -1.43 -2.95 115.58 114.64 3nd2 h ASN 331 Ca 0.12 -0.06 -0.09 0.00 -0.55 0.00 0.00 56.30 55.72 3nd2 h ASN 331 Cb 0.27 -0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.53 3nd2 h ASN 331 CO -0.00 0.45 -0.42 -0.07 -1.65 0.00 0.00 177.43 175.74 3nd2 h LEU 332 N 0.40 0.00 -2.00 1.61 3.38 -1.19 -2.81 115.31 114.70 3nd2 h LEU 332 Ca 0.09 0.00 0.07 0.00 0.09 0.00 0.00 57.88 58.14 3nd2 h LEU 332 Cb 0.27 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.01 3nd2 h LEU 332 CO 0.01 0.42 0.39 -0.07 0.09 0.00 0.00 178.44 179.27 3nd2 h LEU 333 N 0.00 0.00 -1.09 1.67 3.38 -1.31 -0.95 115.31 117.01 3nd2 h LEU 333 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3nd2 h LEU 333 Cb 0.86 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.61 3nd2 h LEU 333 CO 0.05 0.00 0.00 0.35 0.09 0.00 0.00 178.44 178.93 3nd2 n THR 334 N -3.45 0.44 -1.45 0.22 -2.24 -1.06 -4.12 114.28 102.63 3nd2 n THR 334 Ca 0.04 -0.35 -0.31 0.00 -2.27 0.00 0.00 64.05 61.15 3nd2 n THR 334 Cb 0.52 0.03 0.08 0.00 -2.10 0.00 0.00 70.33 68.86 3nd2 n THR 334 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3nd2 n ARG 335 N 0.20 2.79 -1.44 -0.78 1.74 -0.36 -4.98 116.66 113.84 3nd2 n ARG 335 Ca 0.08 -3.42 -0.33 0.00 -0.77 0.00 0.00 57.85 53.41 3nd2 n ARG 335 Cb 0.28 -2.27 0.09 0.00 -1.02 0.00 0.00 32.46 29.54 3nd2 n ARG 335 CO 0.00 0.00 0.00 -0.65 -1.52 0.00 0.00 177.63 175.46 3nd2 s GLN 336 N -3.74 2.26 0.42 5.56 1.11 -1.26 -4.36 119.66 119.65 3nd2 s GLN 336 Ca 0.61 1.52 -0.26 0.00 0.01 0.00 0.00 55.36 57.24 3nd2 s GLN 336 Cb 0.49 -1.87 -0.09 0.00 -1.01 0.00 0.00 33.01 30.53 3nd2 s GLN 336 CO 0.01 -1.70 1.41 -0.80 0.01 0.00 0.00 175.29 174.22 3nd2 s ASN 337 N -2.49 6.10 0.17 5.90 0.01 -1.26 -4.94 114.94 118.43 3nd2 s ASN 337 Ca 0.69 2.88 -0.12 0.00 -0.71 0.00 0.00 52.86 55.60 3nd2 s ASN 337 Cb -0.24 -2.65 0.07 0.00 0.41 0.00 0.00 41.25 38.84 3nd2 s ASN 337 CO 0.47 -1.02 1.69 -0.33 -1.51 0.00 0.00 177.10 176.41 3nd2 h GLU 338 N 2.58 0.92 -6.26 -0.60 4.39 -2.02 -3.41 114.58 110.19 3nd2 h GLU 338 Ca -0.50 -0.20 -0.57 0.00 0.34 0.00 0.00 59.36 58.42 3nd2 h GLU 338 Cb 1.25 -0.13 -0.04 0.00 -0.10 0.00 0.00 28.75 29.73 3nd2 h GLU 338 CO 0.62 0.83 0.97 0.34 -1.16 0.00 0.00 179.01 180.62 3nd2 s ASP 339 N -6.21 6.73 0.00 1.42 -1.08 -1.26 -4.91 116.67 111.36 3nd2 s ASP 339 Ca -0.13 1.51 0.11 0.00 -0.52 0.00 0.00 52.55 53.52 3nd2 s ASP 339 Cb 0.13 -2.54 0.48 0.00 -1.46 0.00 0.00 42.92 39.53 3nd2 s ASP 339 CO 0.81 -0.98 1.31 -0.81 0.52 0.00 0.00 175.17 176.02 3nd2 n PRO 340 N 7.09 0.04 -0.34 4.34 -0.04 -1.26 -2.54 135.00 142.29 3nd2 n PRO 340 Ca 0.15 0.28 0.09 0.00 -0.04 0.00 0.00 63.50 63.98 3nd2 n PRO 340 Cb 0.45 -1.50 0.22 0.00 -0.04 0.00 0.00 33.50 32.64 3nd2 n PRO 340 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 3nd2 n GLU 341 N -1.44 2.56 0.03 0.54 1.02 -1.26 -4.75 120.64 117.34 3nd2 n GLU 341 Ca 0.03 -2.73 -0.13 0.00 -0.02 0.00 0.00 57.16 54.32 3nd2 n GLU 341 Cb 0.11 -1.73 -0.14 0.00 -0.02 0.00 0.00 31.44 29.67 3nd2 n GLU 341 CO 0.00 0.00 0.00 0.22 1.18 0.00 0.00 177.13 178.53 3nd2 h ASP 342 N 1.38 0.20 0.00 1.62 3.58 -1.89 -3.47 116.42 117.83 3nd2 h ASP 342 Ca 0.00 -0.31 0.00 0.00 0.42 0.00 0.00 57.03 57.14 3nd2 h ASP 342 Cb 1.30 -0.06 0.00 0.00 1.72 0.00 0.00 39.33 42.28 3nd2 h ASP 342 CO 0.16 1.26 0.00 0.47 -2.88 0.00 0.00 179.24 178.25 3nd2 n ASP 343 N -3.30 0.00 -4.76 2.28 10.43 -1.26 -4.89 116.55 115.05 3nd2 n ASP 343 Ca -0.15 0.00 -0.41 0.00 2.57 0.00 0.00 54.79 56.79 3nd2 n ASP 343 Cb 1.03 -0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.98 3nd2 n ASP 343 CO 0.00 0.00 0.00 0.47 -1.07 0.00 0.00 177.20 176.60 3nd2 n ASP 344 N 0.04 3.71 -4.77 -2.24 8.00 -1.26 -4.91 116.55 115.11 3nd2 n ASP 344 Ca 0.00 1.20 -0.39 0.00 0.71 0.00 0.00 54.79 56.30 3nd2 n ASP 344 Cb 0.00 -1.60 0.01 0.00 -0.02 0.00 0.00 41.12 39.51 3nd2 n ASP 344 CO 0.00 0.00 0.00 0.86 -0.39 0.00 0.00 177.20 177.67 3nd2 s TRP 345 N -0.72 2.63 0.26 1.24 -0.11 -1.26 -4.96 118.94 116.02 3nd2 s TRP 345 Ca 0.57 1.35 -0.16 0.00 1.22 0.00 0.00 56.10 59.08 3nd2 s TRP 345 Cb -0.49 -3.78 0.00 0.00 -1.50 0.00 0.00 33.47 27.70 3nd2 s TRP 345 CO 0.58 -2.49 0.56 0.54 -4.62 0.00 0.00 176.95 171.52 3nd2 s ASN 346 N -0.66 -0.15 0.40 5.86 2.20 -1.26 -5.06 114.94 116.26 3nd2 s ASN 346 Ca 0.60 -0.82 0.17 0.00 -0.94 0.00 0.00 52.86 51.87 3nd2 s ASN 346 Cb -0.40 0.64 1.06 0.00 -2.00 0.00 0.00 41.25 40.54 3nd2 s ASN 346 CO 0.52 -1.21 1.80 1.62 -2.94 0.00 0.00 177.10 176.89 3nd2 h VAL 347 N 2.17 0.60 -0.20 3.54 3.04 -1.87 0.13 116.25 123.66 3nd2 h VAL 347 Ca -0.24 -0.15 -0.01 0.00 -1.01 0.00 0.00 66.70 65.30 3nd2 h VAL 347 Cb 1.25 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.65 3nd2 h VAL 347 CO 0.31 0.08 0.08 0.77 -1.01 0.00 0.00 177.57 177.81 3nd2 h SER 348 N 0.44 0.24 0.30 3.17 4.64 -1.76 0.18 113.55 120.75 3nd2 h SER 348 Ca 0.55 -0.01 -0.25 0.00 -0.47 0.00 0.00 61.79 61.60 3nd2 h SER 348 Cb 1.32 -0.06 0.01 0.00 -0.31 0.00 0.00 62.40 63.36 3nd2 h SER 348 CO -0.25 0.22 -1.05 0.24 -0.87 0.00 0.00 176.83 175.11 3nd2 h MET 349 N 0.28 0.47 -0.37 4.77 2.86 -1.31 -2.50 114.93 119.12 3nd2 h MET 349 Ca 0.07 -0.56 0.02 0.00 -2.06 0.00 0.00 59.70 57.17 3nd2 h MET 349 Cb 0.05 0.17 -0.03 0.00 0.06 0.00 0.00 31.60 31.86 3nd2 h MET 349 CO -0.01 1.20 0.21 0.77 1.06 0.00 0.00 176.91 180.14 3nd2 h SER 350 N 0.24 0.33 -0.06 1.22 0.02 -1.05 -2.30 113.55 111.95 3nd2 h SER 350 Ca -0.11 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.84 3nd2 h SER 350 Cb 1.71 -0.06 -0.00 0.00 0.14 0.00 0.00 62.40 64.19 3nd2 h SER 350 CO 0.19 0.24 0.03 0.00 -1.14 0.00 0.00 176.83 176.14 3nd2 h ALA 351 N 1.17 0.08 -0.48 3.77 0.00 -0.70 -0.21 119.26 122.90 3nd2 h ALA 351 Ca 0.15 -0.08 0.09 0.00 0.00 0.00 0.00 54.91 55.06 3nd2 h ALA 351 Cb 0.02 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.72 3nd2 h ALA 351 CO -0.08 -0.34 0.05 0.78 0.00 0.00 0.00 179.25 179.65 3nd2 h GLY 352 N -0.05 0.53 1.03 0.00 0.00 -1.43 0.79 103.07 103.94 3nd2 h GLY 352 Ca 0.02 0.02 -0.03 0.00 0.00 0.00 0.00 47.33 47.34 3nd2 h GLY 352 CO -0.00 -0.10 0.35 0.00 0.00 0.00 0.00 176.54 176.79 3nd2 h ALA 353 N 1.40 0.99 -0.46 3.60 0.00 -1.21 -2.18 119.26 121.41 3nd2 h ALA 353 Ca 0.24 -0.16 -0.12 0.00 0.00 0.00 0.00 54.91 54.87 3nd2 h ALA 353 Cb 0.34 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.81 3nd2 h ALA 353 CO -0.36 0.58 -0.19 0.00 0.00 0.00 0.00 179.25 179.28 3nd2 h LEU 355 N 0.79 1.08 -0.88 0.00 5.85 -0.67 -0.06 115.31 121.41 3nd2 h LEU 355 Ca 0.11 -0.19 -0.01 0.00 0.84 0.00 0.00 57.88 58.64 3nd2 h LEU 355 Cb 0.73 -0.28 -0.04 0.00 0.37 0.00 0.00 40.66 41.44 3nd2 h LEU 355 CO 0.06 0.97 0.53 1.56 -0.34 0.00 0.00 178.44 181.22 3nd2 h GLN 356 N 1.12 1.20 -0.48 1.25 4.20 -1.33 -1.37 115.11 119.71 3nd2 h GLN 356 Ca 0.25 -0.11 -0.12 0.00 0.06 0.00 0.00 58.65 58.73 3nd2 h GLN 356 Cb 0.25 -0.25 -0.02 0.00 0.30 0.00 0.00 27.48 27.77 3nd2 h GLN 356 CO -0.02 0.84 -0.17 -0.07 -0.67 0.00 0.00 178.83 178.75 3nd2 h LEU 357 N 1.21 0.95 -0.88 1.46 3.38 -1.00 -2.49 115.31 117.93 3nd2 h LEU 357 Ca 0.32 -0.33 -0.03 0.00 0.09 0.00 0.00 57.88 57.93 3nd2 h LEU 357 Cb -0.05 -0.26 -0.04 0.00 0.09 0.00 0.00 40.66 40.40 3nd2 h LEU 357 CO -0.06 1.10 0.45 -0.26 0.09 0.00 0.00 178.44 179.76 3nd2 h PHE 358 N 0.82 1.24 -0.47 1.13 0.04 -0.78 -1.47 116.94 117.46 3nd2 h PHE 358 Ca 0.12 -0.05 -0.07 0.00 2.80 0.00 0.00 57.97 60.78 3nd2 h PHE 358 Cb 0.72 -0.39 -0.02 0.00 2.20 0.00 0.00 35.95 38.46 3nd2 h PHE 358 CO 0.04 0.88 0.02 0.00 -0.60 0.00 0.00 178.31 178.65 3nd2 h ALA 359 N 1.25 1.15 -0.09 2.45 0.00 -1.11 0.19 119.26 123.09 3nd2 h ALA 359 Ca 0.31 -0.25 -0.23 0.00 0.00 0.00 0.00 54.91 54.74 3nd2 h ALA 359 Cb 0.08 -0.19 0.01 0.00 0.00 0.00 0.00 17.79 17.68 3nd2 h ALA 359 CO -0.04 0.55 -0.84 1.96 0.00 0.00 0.00 179.25 180.88 3nd2 h GLN 360 N 0.72 0.66 0.01 0.00 4.20 -1.25 -1.35 115.11 118.11 3nd2 h GLN 360 Ca 0.14 -0.59 -0.09 0.00 0.06 0.00 0.00 58.65 58.18 3nd2 h GLN 360 Cb 0.42 0.14 0.01 0.00 0.30 0.00 0.00 27.48 28.34 3nd2 h GLN 360 CO 0.02 1.20 -0.34 -0.97 -0.67 0.00 0.00 178.83 178.06 3nd2 h ASN 361 N 0.43 0.28 0.00 1.46 -1.24 -1.22 -3.40 115.58 111.88 3nd2 h ASN 361 Ca -0.07 -0.81 0.00 0.00 0.71 0.00 0.00 56.30 56.13 3nd2 h ASN 361 Cb 1.47 -0.09 0.00 0.00 0.73 0.00 0.00 38.32 40.43 3nd2 h ASN 361 CO 0.16 1.06 -1.82 0.00 -1.29 0.00 0.00 177.43 175.54 3nd2 n GLY 363 N 1.32 1.96 0.29 0.00 0.00 -0.51 -2.82 105.19 105.43 3nd2 n GLY 363 Ca -0.03 -0.40 0.19 0.00 0.00 0.00 0.00 46.02 45.78 3nd2 n GLY 363 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3nd2 h ASN 364 N 0.00 0.00 0.51 1.61 2.35 -1.86 -2.67 115.58 115.52 3nd2 h ASN 364 Ca 0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3nd2 h ASN 364 Cb 0.00 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3nd2 h ASN 364 CO 0.00 0.00 0.00 0.45 -1.65 0.00 0.00 177.43 176.23 3nd2 h HIS 365 N 0.00 0.00 0.00 1.19 3.86 -1.92 -2.42 115.15 115.87 3nd2 h HIS 365 Ca 0.00 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 3nd2 h HIS 365 Cb 0.19 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.66 3nd2 h HIS 365 CO 0.00 0.00 -0.38 0.97 0.86 0.00 0.00 177.93 179.38 3nd2 h ILE 366 N 0.00 0.00 0.25 2.45 6.09 -1.69 -3.40 117.51 121.21 3nd2 h ILE 366 Ca 0.00 -0.72 -0.01 0.00 -1.37 0.00 0.00 64.86 62.76 3nd2 h ILE 366 Cb 0.25 1.50 0.00 0.00 0.47 0.00 0.00 36.82 39.05 3nd2 h ILE 366 CO 0.00 0.00 -0.12 -0.07 -3.07 0.00 0.00 178.15 174.89 3nd2 h LEU 367 N 0.00 -0.28 0.37 2.19 3.38 -1.61 -3.11 115.31 116.25 3nd2 h LEU 367 Ca 0.00 -0.04 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 3nd2 h LEU 367 Cb 0.86 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 41.66 3nd2 h LEU 367 CO 0.00 -0.14 -0.40 -0.08 0.09 0.00 0.00 178.44 177.91 3nd2 h GLU 368 N -0.40 -0.77 -0.64 1.13 4.81 -1.78 0.08 114.58 117.00 3nd2 h GLU 368 Ca -0.03 0.05 -0.02 0.00 -0.13 0.00 0.00 59.36 59.22 3nd2 h GLU 368 Cb 0.31 0.18 -0.03 0.00 0.63 0.00 0.00 28.75 29.83 3nd2 h GLU 368 CO 0.06 -0.51 0.30 -1.00 -0.73 0.00 0.00 179.01 177.12 3nd2 h PRO 369 N -0.80 0.91 -0.06 0.92 0.13 -1.86 -2.69 132.00 128.55 3nd2 h PRO 369 Ca -0.03 -0.12 -0.10 0.00 -0.87 0.00 0.00 66.00 64.88 3nd2 h PRO 369 Cb 0.73 -0.17 0.00 0.00 0.13 0.00 0.00 31.00 31.69 3nd2 h PRO 369 CO -0.09 0.71 -0.34 0.28 -0.23 0.00 0.00 178.00 178.34 3nd2 h VAL 370 N 0.91 1.43 -0.79 1.56 2.07 -1.41 -2.49 116.25 117.52 3nd2 h VAL 370 Ca 0.22 -1.76 -0.05 0.00 0.82 0.00 0.00 66.70 65.94 3nd2 h VAL 370 Cb 0.11 2.35 -0.03 0.00 -1.52 0.00 0.00 31.29 32.20 3nd2 h VAL 370 CO -0.03 0.51 0.31 -0.07 0.02 0.00 0.00 177.57 178.30 3nd2 h LEU 371 N -0.16 1.10 -0.07 2.57 3.38 -1.01 0.18 115.31 121.30 3nd2 h LEU 371 Ca -0.02 -0.18 0.04 0.00 0.09 0.00 0.00 57.88 57.80 3nd2 h LEU 371 Cb 1.00 -0.29 -0.06 0.00 0.09 0.00 0.00 40.66 41.40 3nd2 h LEU 371 CO 0.07 0.98 -0.43 -0.08 0.09 0.00 0.00 178.44 179.06 3nd2 h GLU 372 N 1.15 -0.52 -0.88 1.13 4.81 -1.53 0.05 114.58 118.79 3nd2 h GLU 372 Ca 0.26 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.58 3nd2 h GLU 372 Cb 0.23 0.12 -0.06 0.00 0.63 0.00 0.00 28.75 29.67 3nd2 h GLU 372 CO -0.02 -0.35 0.56 0.35 -0.73 0.00 0.00 179.01 178.82 3nd2 h PHE 373 N -0.54 1.04 -0.04 0.92 3.57 -0.94 -0.21 116.94 120.74 3nd2 h PHE 373 Ca 0.06 0.03 -0.00 0.00 3.53 0.00 0.00 57.97 61.59 3nd2 h PHE 373 Cb 0.65 -0.34 -0.00 0.00 2.79 0.00 0.00 35.95 39.05 3nd2 h PHE 373 CO -0.47 0.56 0.02 0.28 -2.23 0.00 0.00 178.31 176.47 3nd2 h VAL 374 N 1.04 1.03 -0.68 1.41 2.07 -0.34 -1.71 116.25 119.07 3nd2 h VAL 374 Ca 0.37 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.78 3nd2 h VAL 374 Cb 0.10 1.02 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3nd2 h VAL 374 CO -0.15 0.03 0.33 -0.08 0.02 0.00 0.00 177.57 177.72 3nd2 h GLU 375 N 0.02 0.99 -0.02 1.57 4.81 -0.72 -0.29 114.58 120.94 3nd2 h GLU 375 Ca 0.01 -0.15 -0.01 0.00 -0.13 0.00 0.00 59.36 59.09 3nd2 h GLU 375 Cb 0.02 -0.18 -0.00 0.00 0.63 0.00 0.00 28.75 29.23 3nd2 h GLU 375 CO -0.00 0.78 -0.04 0.37 -0.73 0.00 0.00 179.01 179.39 3nd2 h GLN 376 N 0.95 0.03 0.00 1.92 5.75 -0.87 -3.35 115.11 119.55 3nd2 h GLN 376 Ca 0.23 -0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.73 3nd2 h GLN 376 Cb 0.12 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 28.66 3nd2 h GLN 376 CO -0.03 0.07 -0.04 0.09 -2.65 0.00 0.00 178.83 176.27 3nd2 n ASN 377 N -4.48 0.19 0.19 -0.69 3.02 -0.66 -4.58 115.26 108.27 3nd2 n ASN 377 Ca -0.03 -0.46 0.05 0.00 -0.03 0.00 0.00 54.58 54.11 3nd2 n ASN 377 Cb 0.13 0.97 0.38 0.00 -0.61 0.00 0.00 39.78 40.65 3nd2 n ASN 377 CO 0.00 0.00 0.00 -0.29 -2.62 0.00 0.00 177.26 174.35 3nd2 h ILE 378 N 0.00 1.06 -0.39 2.41 2.10 -1.19 -2.77 117.51 118.72 3nd2 h ILE 378 Ca 0.00 -1.34 0.00 0.00 1.08 0.00 0.00 64.86 64.60 3nd2 h ILE 378 Cb 0.00 1.76 0.00 0.00 -1.09 0.00 0.00 36.82 37.49 3nd2 h ILE 378 CO 0.00 0.36 0.00 0.35 -1.08 0.00 0.00 178.15 177.78 3nd2 n THR 379 N -3.82 1.60 -0.80 2.19 -2.24 -1.26 -4.79 114.28 105.16 3nd2 n THR 379 Ca -0.01 -1.33 -0.30 0.00 -2.27 0.00 0.00 64.05 60.14 3nd2 n THR 379 Cb 0.44 0.18 0.17 0.00 -2.10 0.00 0.00 70.33 69.01 3nd2 n THR 379 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3nd2 s ALA 380 N -1.77 1.25 -0.26 6.98 0.00 -1.05 -4.96 121.76 121.95 3nd2 s ALA 380 Ca 0.36 0.36 0.20 0.00 0.00 0.00 0.00 51.96 52.89 3nd2 s ALA 380 Cb 0.24 -3.37 0.08 0.00 0.00 0.00 0.00 23.12 20.07 3nd2 s ALA 380 CO 0.16 -2.77 1.22 -0.44 0.00 0.00 0.00 175.76 173.92 3nd2 h ASP 381 N -1.87 0.00 -3.36 0.00 3.32 -1.96 -3.45 116.42 109.10 3nd2 h ASP 381 Ca -0.47 0.00 -0.56 0.00 0.02 0.00 0.00 57.03 56.02 3nd2 h ASP 381 Cb 1.28 0.00 -0.05 0.00 0.22 0.00 0.00 39.33 40.77 3nd2 h ASP 381 CO 0.46 0.18 0.07 0.21 -1.72 0.00 0.00 179.24 178.44 3nd2 s ASN 382 N -5.83 6.98 0.35 6.45 3.04 -1.26 -4.96 114.94 119.71 3nd2 s ASN 382 Ca 0.02 1.17 0.04 0.00 0.04 0.00 0.00 52.86 54.13 3nd2 s ASN 382 Cb 0.08 -2.40 0.69 0.00 -1.54 0.00 0.00 41.25 38.07 3nd2 s ASN 382 CO 0.75 -0.09 1.98 4.11 -3.04 0.00 0.00 177.10 180.82 3nd2 h TRP 383 N 6.63 0.79 -0.54 0.43 5.08 -1.99 -1.85 115.95 124.50 3nd2 h TRP 383 Ca -0.41 0.02 0.04 0.00 1.08 0.00 0.00 58.89 59.61 3nd2 h TRP 383 Cb 1.20 -0.26 -0.03 0.00 -3.00 0.00 0.00 29.16 27.06 3nd2 h TRP 383 CO 0.65 0.45 0.36 0.00 -1.28 0.00 0.00 178.44 178.61 3nd2 h ARG 384 N 0.81 0.57 0.23 0.12 3.08 -1.93 0.14 114.38 117.40 3nd2 h ARG 384 Ca 0.28 -0.03 -0.33 0.00 0.07 0.00 0.00 59.98 59.96 3nd2 h ARG 384 Cb 0.10 -0.13 0.03 0.00 0.08 0.00 0.00 29.97 30.05 3nd2 h ARG 384 CO -0.08 0.38 -1.49 -0.91 -1.07 0.00 0.00 179.97 176.80 3nd2 h ASN 385 N 0.59 0.78 -0.32 7.04 2.35 -1.68 -2.49 115.58 121.86 3nd2 h ASN 385 Ca 0.22 -0.86 -0.12 0.00 -0.55 0.00 0.00 56.30 54.99 3nd2 h ASN 385 Cb 0.13 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.24 3nd2 h ASN 385 CO -0.06 1.68 -0.22 0.03 -1.65 0.00 0.00 177.43 177.20 3nd2 h ARG 386 N 0.14 0.81 -0.30 0.81 3.08 -1.01 -1.24 114.38 116.66 3nd2 h ARG 386 Ca -0.25 -0.33 -0.16 0.00 0.07 0.00 0.00 59.98 59.31 3nd2 h ARG 386 Cb 2.14 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 32.16 3nd2 h ARG 386 CO 0.26 0.95 -0.43 1.49 -1.07 0.00 0.00 179.97 181.17 3nd2 h GLU 387 N 0.70 0.82 -0.87 0.04 4.22 -1.09 -2.89 114.58 115.51 3nd2 h GLU 387 Ca 0.10 -0.48 0.05 0.00 0.08 0.00 0.00 59.36 59.10 3nd2 h GLU 387 Cb 0.75 0.04 -0.06 0.00 0.50 0.00 0.00 28.75 29.98 3nd2 h GLU 387 CO 0.06 1.12 0.55 0.00 -2.18 0.00 0.00 179.01 178.56 3nd2 h ALA 388 N 0.69 1.17 -0.76 2.92 0.00 -1.33 -0.49 119.26 121.46 3nd2 h ALA 388 Ca 0.03 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 54.91 3nd2 h ALA 388 Cb 1.03 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 3nd2 h ALA 388 CO 0.10 0.34 0.42 0.00 0.00 0.00 0.00 179.25 180.11 3nd2 h ALA 389 N 1.39 1.30 0.06 0.00 0.00 -1.15 0.18 119.26 121.04 3nd2 h ALA 389 Ca 0.36 -0.11 -0.28 0.00 0.00 0.00 0.00 54.91 54.89 3nd2 h ALA 389 Cb 0.10 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 17.60 3nd2 h ALA 389 CO -0.15 0.57 -1.11 0.28 0.00 0.00 0.00 179.25 178.84 3nd2 h VAL 390 N 1.06 1.29 0.04 0.00 2.07 -1.25 -1.99 116.25 117.47 3nd2 h VAL 390 Ca 0.27 -2.35 0.03 0.00 0.82 0.00 0.00 66.70 65.47 3nd2 h VAL 390 Cb 0.02 2.57 -0.05 0.00 -1.52 0.00 0.00 31.29 32.32 3nd2 h VAL 390 CO -0.04 0.72 -0.30 -0.03 0.02 0.00 0.00 177.57 177.93 3nd2 h MET 391 N 0.29 -0.46 -0.55 1.57 -1.53 -1.02 -0.05 114.93 113.19 3nd2 h MET 391 Ca -0.16 0.03 0.08 0.00 -3.44 0.00 0.00 59.70 56.21 3nd2 h MET 391 Cb 1.78 0.10 -0.07 0.00 -0.55 0.00 0.00 31.60 32.87 3nd2 h MET 391 CO 0.22 -0.30 0.19 0.00 0.14 0.00 0.00 176.91 177.15 3nd2 h ALA 392 N 0.26 0.68 -0.46 0.39 0.00 -0.98 -0.04 119.26 119.10 3nd2 h ALA 392 Ca 0.05 0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.99 3nd2 h ALA 392 Cb 0.54 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.37 3nd2 h ALA 392 CO -0.23 -0.22 0.08 0.35 0.00 0.00 0.00 179.25 179.23 3nd2 h PHE 393 N 0.36 0.80 -0.13 0.00 3.04 -1.17 -2.62 116.94 117.22 3nd2 h PHE 393 Ca 0.27 -0.11 -0.05 0.00 3.98 0.00 0.00 57.97 62.06 3nd2 h PHE 393 Cb 0.32 -0.22 -0.01 0.00 2.56 0.00 0.00 35.95 38.59 3nd2 h PHE 393 CO -0.17 0.75 -0.15 0.78 -2.02 0.00 0.00 178.31 177.49 3nd2 h GLY 394 N 0.62 0.22 2.00 2.40 0.00 -0.67 -3.00 103.07 104.64 3nd2 h GLY 394 Ca 0.14 -0.14 0.00 0.00 0.00 0.00 0.00 47.33 47.33 3nd2 h GLY 394 CO 0.01 0.13 0.00 1.76 0.00 0.00 0.00 176.54 178.44 3nd2 h SER 395 N 0.20 0.00 -0.44 0.19 0.02 -0.62 -3.08 113.55 109.81 3nd2 h SER 395 Ca 0.04 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.99 3nd2 h SER 395 Cb 0.39 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3nd2 h SER 395 CO 0.02 0.00 0.00 2.30 -1.14 0.00 0.00 176.83 178.01 3nd2 n ILE 396 N -2.85 1.85 1.50 3.27 -5.35 -1.13 -4.13 119.36 112.52 3nd2 n ILE 396 Ca -0.00 -1.39 0.15 0.00 -0.27 0.00 0.00 62.75 61.23 3nd2 n ILE 396 Cb 0.22 0.06 0.70 0.00 -1.74 0.00 0.00 39.64 38.89 3nd2 n ILE 396 CO 0.00 0.00 0.00 0.23 -1.76 0.00 0.00 176.55 175.02 3nd2 n MET 397 N 0.40 0.68 -3.94 6.28 2.81 -1.17 -4.48 117.12 117.70 3nd2 n MET 397 Ca 0.21 -0.15 -0.24 0.00 -1.81 0.00 0.00 57.70 55.71 3nd2 n MET 397 Cb 0.80 -1.50 -0.17 0.00 -0.71 0.00 0.00 33.22 31.64 3nd2 n MET 397 CO 0.00 0.00 0.00 0.34 1.51 0.00 0.00 175.97 177.82 3nd2 s ASP 398 N -2.42 1.65 0.00 7.83 2.15 -1.26 -4.64 116.67 119.98 3nd2 s ASP 398 Ca 0.32 -0.17 0.00 0.00 0.43 0.00 0.00 52.55 53.13 3nd2 s ASP 398 Cb 0.20 -0.59 0.00 0.00 -0.30 0.00 0.00 42.92 42.23 3nd2 s ASP 398 CO 0.45 -0.13 0.00 0.61 -0.17 0.00 0.00 175.17 175.93 3nd2 n GLY 399 N 4.78 2.23 3.49 2.66 0.00 -1.26 -3.65 105.19 113.44 3nd2 n GLY 399 Ca -0.13 -0.58 -0.33 0.00 0.00 0.00 0.00 46.02 44.97 3nd2 n GLY 399 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3nd2 n PRO 400 N 0.00 -0.18 -1.07 1.61 -0.02 -1.25 -4.56 135.00 129.52 3nd2 n PRO 400 Ca 0.00 -0.00 -0.31 0.00 -2.02 0.00 0.00 63.50 61.17 3nd2 n PRO 400 Cb 0.00 -1.99 0.13 0.00 -0.02 0.00 0.00 33.50 31.61 3nd2 n PRO 400 CO 0.00 0.00 0.00 0.16 1.98 0.00 0.00 175.50 177.64 3nd2 s ASP 401 N -2.04 3.75 0.34 2.55 1.47 -1.26 -4.81 116.67 116.68 3nd2 s ASP 401 Ca 0.61 1.84 0.03 0.00 1.18 0.00 0.00 52.55 56.22 3nd2 s ASP 401 Cb -0.24 -2.46 0.62 0.00 -0.34 0.00 0.00 42.92 40.50 3nd2 s ASP 401 CO 0.63 -2.52 1.94 0.50 0.68 0.00 0.00 175.17 176.41 3nd2 h LYS 402 N -1.46 0.69 -0.45 2.11 3.64 -1.99 -2.20 116.57 116.91 3nd2 h LYS 402 Ca -0.45 -0.09 -0.08 0.00 -1.27 0.00 0.00 60.65 58.76 3nd2 h LYS 402 Cb 1.25 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.93 3nd2 h LYS 402 CO 0.49 0.56 -0.04 0.28 -2.27 0.00 0.00 179.45 178.47 3nd2 h VAL 403 N 0.69 1.27 0.07 2.00 2.07 -1.99 -1.54 116.25 118.81 3nd2 h VAL 403 Ca 0.17 -1.12 -0.00 0.00 0.82 0.00 0.00 66.70 66.56 3nd2 h VAL 403 Cb 0.11 1.08 0.00 0.00 -1.52 0.00 0.00 31.29 30.96 3nd2 h VAL 403 CO -0.02 0.39 -0.03 1.56 0.02 0.00 0.00 177.57 179.48 3nd2 h GLN 404 N 0.67 -0.08 -0.57 1.57 1.08 -1.88 -2.55 115.11 113.35 3nd2 h GLN 404 Ca 0.12 0.01 0.00 0.00 -1.45 0.00 0.00 58.65 57.33 3nd2 h GLN 404 Cb 0.56 0.02 -0.03 0.00 -0.05 0.00 0.00 27.48 27.98 3nd2 h GLN 404 CO 0.03 0.20 0.36 0.00 -0.95 0.00 0.00 178.83 178.47 3nd2 h ARG 405 N -0.37 0.76 -0.70 1.46 3.08 -1.40 -1.19 114.38 116.01 3nd2 h ARG 405 Ca -0.01 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 59.98 3nd2 h ARG 405 Cb 0.32 -0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 3nd2 h ARG 405 CO 0.01 0.52 0.41 1.15 -1.07 0.00 0.00 179.97 181.00 3nd2 h THR 406 N 0.77 1.20 0.05 2.04 2.02 -1.35 0.02 112.91 117.66 3nd2 h THR 406 Ca 0.21 -0.47 -0.00 0.00 0.77 0.00 0.00 66.41 66.92 3nd2 h THR 406 Cb -0.06 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 66.60 3nd2 h THR 406 CO -0.04 0.22 -0.02 0.22 0.37 0.00 0.00 175.52 176.26 3nd2 h TYR 407 N 0.96 -0.06 0.00 3.16 3.20 -1.13 -2.40 116.97 120.71 3nd2 h TYR 407 Ca 0.25 -0.00 -0.11 0.00 3.14 0.00 0.00 58.73 62.01 3nd2 h TYR 407 Cb -0.02 0.02 -0.02 0.00 1.54 0.00 0.00 36.73 38.26 3nd2 h TYR 407 CO -0.01 0.06 -0.53 1.88 -1.64 0.00 0.00 178.16 177.92 3nd2 h TYR 408 N -0.17 0.00 -0.10 -3.82 0.05 -1.09 -2.06 116.97 109.78 3nd2 h TYR 408 Ca -0.01 0.00 -0.00 0.00 0.05 0.00 0.00 58.73 58.77 3nd2 h TYR 408 Cb 0.15 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 37.88 3nd2 h TYR 408 CO -0.04 0.53 0.06 0.28 -1.05 0.00 0.00 178.16 177.94 3nd2 h VAL 409 N 0.00 1.07 -0.48 -2.88 2.07 -1.00 -0.25 116.25 114.78 3nd2 h VAL 409 Ca -0.01 -0.18 0.09 0.00 0.82 0.00 0.00 66.70 67.43 3nd2 h VAL 409 Cb 0.96 1.00 -0.07 0.00 -1.52 0.00 0.00 31.29 31.66 3nd2 h VAL 409 CO 0.07 0.06 0.05 0.45 0.02 0.00 0.00 177.57 178.22 3nd2 h HIS 410 N 0.09 0.06 -0.61 1.57 3.86 -1.22 0.12 115.15 119.03 3nd2 h HIS 410 Ca 0.04 0.03 -0.06 0.00 -1.16 0.00 0.00 60.37 59.22 3nd2 h HIS 410 Cb 0.04 0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.53 3nd2 h HIS 410 CO -0.05 -0.06 0.16 1.96 0.86 0.00 0.00 177.93 180.80 3nd2 h GLN 411 N 0.17 0.97 0.00 2.45 1.08 -1.19 -3.34 115.11 115.24 3nd2 h GLN 411 Ca 0.24 -0.23 -0.04 0.00 -1.45 0.00 0.00 58.65 57.18 3nd2 h GLN 411 Cb 0.34 -0.13 -0.01 0.00 -0.05 0.00 0.00 27.48 27.63 3nd2 h GLN 411 CO -0.36 0.88 -1.52 0.00 -0.95 0.00 0.00 178.83 176.88 3nd2 n ALA 412 N -2.41 2.51 -0.13 3.87 0.00 -0.12 -4.59 120.51 119.64 3nd2 n ALA 412 Ca 0.03 -0.44 -0.06 0.00 0.00 0.00 0.00 53.44 52.97 3nd2 n ALA 412 Cb 0.23 -0.90 0.02 0.00 0.00 0.00 0.00 19.45 18.81 3nd2 n ALA 412 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 3nd2 h LEU 413 N 0.00 0.27 -0.86 0.00 5.85 -0.88 -1.78 115.31 117.91 3nd2 h LEU 413 Ca -0.05 0.03 0.10 0.00 0.84 0.00 0.00 57.88 58.80 3nd2 h LEU 413 Cb 1.13 -0.02 -0.08 0.00 0.37 0.00 0.00 40.66 42.06 3nd2 h LEU 413 CO 0.01 0.20 0.50 -0.65 -0.34 0.00 0.00 178.44 178.15 3nd2 h PRO 414 N 0.39 0.79 0.00 5.25 0.11 -1.81 -0.34 132.00 136.39 3nd2 h PRO 414 Ca 0.18 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.12 3nd2 h PRO 414 Cb 0.10 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.01 3nd2 h PRO 414 CO -0.13 0.52 -0.54 0.77 -0.21 0.00 0.00 178.00 178.41 3nd2 h SER 415 N 0.82 0.00 -0.12 -2.05 0.02 -1.69 -2.33 113.55 108.20 3nd2 h SER 415 Ca 0.42 0.00 -0.15 0.00 -0.84 0.00 0.00 61.79 61.22 3nd2 h SER 415 Cb 0.41 0.00 0.01 0.00 0.14 0.00 0.00 62.40 62.96 3nd2 h SER 415 CO -0.26 0.54 -0.51 0.40 -1.14 0.00 0.00 176.83 175.86 3nd2 h ILE 416 N 0.00 1.35 0.00 3.27 2.04 -0.72 -3.13 117.51 120.32 3nd2 h ILE 416 Ca -0.01 -1.81 -0.06 0.00 1.00 0.00 0.00 64.86 63.99 3nd2 h ILE 416 Cb 0.97 2.12 -0.01 0.00 -0.74 0.00 0.00 36.82 39.16 3nd2 h ILE 416 CO 0.07 0.55 -0.27 -0.07 0.00 0.00 0.00 178.15 178.42 3nd2 h LEU 417 N 0.19 0.00 -1.38 1.44 3.38 -1.00 -2.26 115.31 115.68 3nd2 h LEU 417 Ca -0.03 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.88 3nd2 h LEU 417 Cb 1.15 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 41.89 3nd2 h LEU 417 CO 0.11 0.27 -0.30 -1.13 0.09 0.00 0.00 178.44 177.48 3nd2 h ASN 418 N 0.00 0.00 0.56 -0.43 -1.24 -1.43 -3.05 115.58 109.99 3nd2 h ASN 418 Ca -0.00 0.00 0.00 0.00 0.71 0.00 0.00 56.30 57.01 3nd2 h ASN 418 Cb 0.52 0.00 0.00 0.00 0.73 0.00 0.00 38.32 39.57 3nd2 h ASN 418 CO 0.04 0.30 0.00 0.18 -1.29 0.00 0.00 177.43 176.66 3nd2 n LEU 419 N -3.95 0.00 0.13 0.34 4.77 -0.85 -1.76 117.00 115.69 3nd2 n LEU 419 Ca -0.02 0.49 0.12 0.00 -0.03 0.00 0.00 56.01 56.57 3nd2 n LEU 419 Cb 0.37 -0.49 0.51 0.00 -2.33 0.00 0.00 43.42 41.48 3nd2 n LEU 419 CO 0.36 -0.21 0.85 0.23 -1.33 0.00 0.00 177.39 177.29 3nd2 n MET 420 N -1.49 0.18 -0.03 3.23 2.81 -1.15 -1.88 117.12 118.79 3nd2 n MET 420 Ca 0.04 0.47 0.12 0.00 -1.81 0.00 0.00 57.70 56.52 3nd2 n MET 420 Cb 0.19 -1.88 0.25 0.00 -0.71 0.00 0.00 33.22 31.07 3nd2 n MET 420 CO 0.00 0.00 0.00 0.09 1.51 0.00 0.00 175.97 177.57 3nd2 n ASN 421 N -2.23 2.56 -4.68 7.83 3.02 -0.72 -4.90 115.26 116.14 3nd2 n ASN 421 Ca 0.01 -1.84 -0.33 0.00 -0.03 0.00 0.00 54.58 52.39 3nd2 n ASN 421 Cb 0.19 -0.04 0.14 0.00 -0.61 0.00 0.00 39.78 39.46 3nd2 n ASN 421 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 3nd2 n ASP 422 N 0.98 0.72 0.06 6.41 2.03 -0.79 -4.94 116.55 121.01 3nd2 n ASP 422 Ca 0.16 0.52 0.12 0.00 0.52 0.00 0.00 54.79 56.11 3nd2 n ASP 422 Cb 0.52 -1.49 0.10 0.00 -0.72 0.00 0.00 41.12 39.52 3nd2 n ASP 422 CO 0.00 0.00 0.00 1.67 -1.92 0.00 0.00 177.20 176.95 3nd2 n GLN 423 N -3.57 0.35 -3.12 -0.67 -0.06 -1.26 -4.81 117.38 104.24 3nd2 n GLN 423 Ca 0.13 0.07 -0.40 0.00 -2.00 0.00 0.00 57.00 54.80 3nd2 n GLN 423 Cb 0.51 -1.68 -0.05 0.00 -4.06 0.00 0.00 30.24 24.95 3nd2 n GLN 423 CO 0.00 0.00 0.00 0.45 -0.20 0.00 0.00 177.06 177.31 3nd2 s SER 424 N -4.35 6.79 0.19 1.69 0.15 -1.26 -4.96 113.70 111.95 3nd2 s SER 424 Ca 0.04 0.96 -0.13 0.00 0.70 0.00 0.00 55.95 57.53 3nd2 s SER 424 Cb 0.13 -2.36 0.11 0.00 -1.71 0.00 0.00 66.02 62.19 3nd2 s SER 424 CO 0.76 -0.19 1.85 0.25 1.20 0.00 0.00 173.24 177.11 3nd2 h LEU 425 N 7.51 0.67 -0.77 3.45 5.85 -1.99 -2.58 115.31 127.45 3nd2 h LEU 425 Ca -0.36 -0.01 0.07 0.00 0.84 0.00 0.00 57.88 58.42 3nd2 h LEU 425 Cb 1.16 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 41.97 3nd2 h LEU 425 CO 0.77 0.48 0.44 1.56 -0.34 0.00 0.00 178.44 181.35 3nd2 h GLN 426 N 0.79 0.77 -0.27 1.25 7.50 -1.93 -0.13 115.11 123.09 3nd2 h GLN 426 Ca 0.23 -0.05 -0.02 0.00 0.50 0.00 0.00 58.65 59.31 3nd2 h GLN 426 Cb -0.06 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.29 3nd2 h GLN 426 CO -0.06 0.51 0.09 0.28 -1.50 0.00 0.00 178.83 178.15 3nd2 h VAL 427 N 0.79 1.19 -0.43 -0.54 2.07 -1.81 -2.05 116.25 115.47 3nd2 h VAL 427 Ca 0.35 -0.60 -0.12 0.00 0.82 0.00 0.00 66.70 67.15 3nd2 h VAL 427 Cb 0.24 1.07 -0.01 0.00 -1.52 0.00 0.00 31.29 31.07 3nd2 h VAL 427 CO -0.20 0.20 -0.22 0.11 0.02 0.00 0.00 177.57 177.48 3nd2 h LYS 428 N 0.28 0.91 -0.04 1.57 1.57 -1.06 0.83 116.57 120.62 3nd2 h LYS 428 Ca 0.09 -0.40 0.03 0.00 -1.87 0.00 0.00 60.65 58.50 3nd2 h LYS 428 Cb 0.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3nd2 h LYS 428 CO -0.00 1.05 -0.17 1.49 -0.57 0.00 0.00 179.45 181.25 3nd2 h GLU 429 N 0.73 -0.25 -0.39 3.15 4.81 -1.02 -0.83 114.58 120.79 3nd2 h GLU 429 Ca 0.09 0.02 -0.08 0.00 -0.13 0.00 0.00 59.36 59.26 3nd2 h GLU 429 Cb 0.79 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 30.20 3nd2 h GLU 429 CO 0.06 -0.16 -0.10 1.15 -0.73 0.00 0.00 179.01 179.23 3nd2 h THR 430 N -0.25 1.25 -0.41 0.32 2.02 -1.27 -2.59 112.91 111.97 3nd2 h THR 430 Ca 0.07 -1.10 -0.00 0.00 0.77 0.00 0.00 66.41 66.14 3nd2 h THR 430 Cb 0.35 1.06 -0.02 0.00 -1.74 0.00 0.00 68.15 67.80 3nd2 h THR 430 CO -0.19 0.37 0.25 0.74 0.37 0.00 0.00 175.52 177.06 3nd2 h THR 431 N 0.62 1.13 -0.61 3.16 2.02 -0.57 0.82 112.91 119.49 3nd2 h THR 431 Ca 0.11 -0.31 0.05 0.00 0.77 0.00 0.00 66.41 67.03 3nd2 h THR 431 Cb 0.54 0.59 -0.05 0.00 -1.74 0.00 0.00 68.15 67.49 3nd2 h THR 431 CO 0.03 0.14 0.33 0.00 0.37 0.00 0.00 175.52 176.39 3nd2 h ALA 432 N 1.11 0.80 -0.49 6.16 0.00 -1.05 -1.27 119.26 124.52 3nd2 h ALA 432 Ca 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3nd2 h ALA 432 Cb 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3nd2 h ALA 432 CO -0.03 0.00 0.27 2.35 0.00 0.00 0.00 179.25 181.85 3nd2 h TRP 433 N 0.62 0.66 -0.58 0.00 7.01 -1.06 -2.78 115.95 119.82 3nd2 h TRP 433 Ca 0.27 -0.01 -0.01 0.00 2.11 0.00 0.00 58.89 61.25 3nd2 h TRP 433 Cb 0.15 -0.21 -0.03 0.00 -2.10 0.00 0.00 29.16 26.97 3nd2 h TRP 433 CO -0.09 0.49 0.33 0.00 -2.79 0.00 0.00 178.44 176.39 3nd2 h ILE 435 N 0.78 1.02 -0.42 0.00 2.04 -1.22 -0.33 117.51 119.39 3nd2 h ILE 435 Ca 0.21 -0.36 -0.10 0.00 1.00 0.00 0.00 64.86 65.61 3nd2 h ILE 435 Cb 0.01 -0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 35.97 3nd2 h ILE 435 CO -0.04 0.19 -0.15 1.23 0.00 0.00 0.00 178.15 179.38 3nd2 h GLY 436 N 1.04 0.84 0.98 5.37 0.00 -1.06 0.07 103.07 110.32 3nd2 h GLY 436 Ca 0.43 -0.67 -0.01 0.00 0.00 0.00 0.00 47.33 47.08 3nd2 h GLY 436 CO -0.20 0.61 0.29 3.21 0.00 0.00 0.00 176.54 180.45 3nd2 h ARG 437 N 0.69 0.73 0.45 4.80 2.47 -0.67 0.11 114.38 122.96 3nd2 h ARG 437 Ca 0.11 -0.08 -0.02 0.00 -1.26 0.00 0.00 59.98 58.73 3nd2 h ARG 437 Cb 0.65 -0.14 -0.00 0.00 -1.65 0.00 0.00 29.97 28.82 3nd2 h ARG 437 CO 0.05 0.56 -0.26 0.82 0.56 0.00 0.00 179.97 181.70 3nd2 h ILE 438 N 0.70 0.47 -0.88 2.04 2.04 -0.81 -0.66 117.51 120.40 3nd2 h ILE 438 Ca 0.19 0.00 0.10 0.00 1.00 0.00 0.00 64.86 66.15 3nd2 h ILE 438 Cb 0.04 0.47 -0.06 0.00 -0.74 0.00 0.00 36.82 36.53 3nd2 h ILE 438 CO -0.03 0.00 0.57 0.00 0.00 0.00 0.00 178.15 178.69 3nd2 h ALA 439 N -0.14 1.67 0.15 1.87 0.00 -0.92 0.43 119.26 122.31 3nd2 h ALA 439 Ca -0.05 -0.00 -0.29 0.00 0.00 0.00 0.00 54.91 54.56 3nd2 h ALA 439 Cb 0.54 -0.19 0.02 0.00 0.00 0.00 0.00 17.79 18.16 3nd2 h ALA 439 CO 0.07 0.14 -1.28 0.22 0.00 0.00 0.00 179.25 178.39 3nd2 h ASP 440 N 0.84 0.65 0.00 0.00 3.58 -0.62 -3.30 116.42 117.58 3nd2 h ASP 440 Ca 0.41 -0.66 -0.30 0.00 0.42 0.00 0.00 57.03 56.91 3nd2 h ASP 440 Cb 0.45 -0.21 -0.06 0.00 1.72 0.00 0.00 39.33 41.24 3nd2 h ASP 440 CO -0.18 1.50 -2.12 -1.20 -2.88 0.00 0.00 179.24 174.36 3nd2 n SER 441 N -3.66 1.17 -3.17 2.28 7.64 -0.27 -4.72 113.62 112.88 3nd2 n SER 441 Ca -0.12 -0.01 -0.23 0.00 1.01 0.00 0.00 58.87 59.52 3nd2 n SER 441 Cb 1.02 0.76 -0.05 0.00 -1.01 0.00 0.00 64.21 64.93 3nd2 n SER 441 CO 0.00 0.00 0.00 0.52 -3.01 0.00 0.00 175.04 172.55 3nd2 n VAL 442 N -2.65 0.74 0.17 0.44 0.31 0.15 -4.93 118.33 112.55 3nd2 n VAL 442 Ca -0.27 -4.73 0.02 0.00 -0.01 0.00 0.00 64.34 59.34 3nd2 n VAL 442 Cb 1.01 -1.24 0.29 0.00 -0.91 0.00 0.00 33.84 32.98 3nd2 n VAL 442 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 3nd2 h ALA 443 N 3.45 1.16 0.00 3.52 0.00 -1.62 -3.01 119.26 122.76 3nd2 h ALA 443 Ca 0.11 -0.43 -0.05 0.00 0.00 0.00 0.00 54.91 54.54 3nd2 h ALA 443 Cb 0.80 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 3nd2 h ALA 443 CO 0.61 0.59 -0.25 0.93 0.00 0.00 0.00 179.25 181.13 3nd2 h GLU 444 N 0.00 0.00 0.00 0.00 3.07 -1.91 -2.77 114.58 112.97 3nd2 h GLU 444 Ca -0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 3nd2 h GLU 444 Cb 0.87 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.78 3nd2 h GLU 444 CO 0.06 0.25 0.00 -1.13 -1.40 0.00 0.00 179.01 176.79 3nd2 n SER 445 N -3.98 0.70 -4.52 1.42 3.41 -1.14 -4.44 113.62 105.07 3nd2 n SER 445 Ca -0.02 0.64 -0.42 0.00 -0.26 0.00 0.00 58.87 58.81 3nd2 n SER 445 Cb 0.32 -0.80 -0.03 0.00 -0.26 0.00 0.00 64.21 63.44 3nd2 n SER 445 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 3nd2 s ILE 446 N -3.25 4.06 0.16 -1.33 1.01 -1.05 -4.76 121.20 116.05 3nd2 s ILE 446 Ca 0.06 -0.45 -0.32 0.00 0.00 0.00 0.00 60.65 59.94 3nd2 s ILE 446 Cb 0.10 -4.90 -0.10 0.00 0.01 0.00 0.00 42.46 37.57 3nd2 s ILE 446 CO 0.45 -1.76 1.56 -0.62 0.00 0.00 0.00 174.94 174.57 3nd2 s ASP 447 N 4.14 6.60 0.34 3.58 2.15 -1.26 -4.71 116.67 127.51 3nd2 s ASP 447 Ca 0.36 2.59 0.06 0.00 0.43 0.00 0.00 52.55 55.99 3nd2 s ASP 447 Cb -0.06 -2.59 0.71 0.00 -0.30 0.00 0.00 42.92 40.68 3nd2 s ASP 447 CO 0.02 -0.82 1.89 -0.65 -0.17 0.00 0.00 175.17 175.44 3nd2 h PRO 448 N 6.86 0.78 0.11 4.34 0.11 -1.94 0.27 132.00 142.53 3nd2 h PRO 448 Ca -0.43 -0.05 -0.34 0.00 0.11 0.00 0.00 66.00 65.29 3nd2 h PRO 448 Cb 1.20 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 32.12 3nd2 h PRO 448 CO 0.91 0.52 -1.88 1.04 -0.21 0.00 0.00 178.00 178.38 3nd2 n GLN 449 N -4.54 0.73 0.13 1.05 3.00 -1.26 -3.94 117.38 112.55 3nd2 n GLN 449 Ca 0.16 0.31 -0.21 0.00 -0.01 0.00 0.00 57.00 57.25 3nd2 n GLN 449 Cb 0.36 -1.72 -0.15 0.00 0.00 0.00 0.00 30.24 28.73 3nd2 n GLN 449 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.06 177.43 3nd2 h GLN 450 N -0.11 0.43 0.00 -1.09 4.15 -1.93 -3.43 115.11 113.13 3nd2 h GLN 450 Ca -0.41 -0.73 0.00 0.00 0.77 0.00 0.00 58.65 58.28 3nd2 h GLN 450 Cb 1.92 0.27 0.00 0.00 0.21 0.00 0.00 27.48 29.88 3nd2 h GLN 450 CO 0.04 1.35 -0.92 0.72 -1.93 0.00 0.00 178.83 178.09 3nd2 n HIS 451 N -3.64 0.00 -0.32 3.99 8.25 -0.04 -4.80 115.22 118.67 3nd2 n HIS 451 Ca -0.13 0.00 -0.04 0.00 -0.26 0.00 0.00 57.72 57.29 3nd2 n HIS 451 Cb 1.07 0.00 0.08 0.00 1.12 0.00 0.00 29.99 32.26 3nd2 n HIS 451 CO 0.00 0.00 0.00 1.25 0.64 0.00 0.00 176.34 178.23 3nd2 h LEU 452 N 0.00 1.04 -1.48 2.41 5.85 -1.35 -1.22 115.31 120.56 3nd2 h LEU 452 Ca 0.00 -0.08 0.03 0.00 0.84 0.00 0.00 57.88 58.67 3nd2 h LEU 452 Cb 0.92 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 3nd2 h LEU 452 CO 0.00 0.82 0.39 -0.65 -0.34 0.00 0.00 178.44 178.65 3nd2 h PRO 453 N 1.18 0.66 0.05 5.25 0.11 -1.83 -0.74 132.00 136.68 3nd2 h PRO 453 Ca 0.31 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 66.13 3nd2 h PRO 453 Cb -0.02 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 30.95 3nd2 h PRO 453 CO -0.05 0.44 -1.05 0.78 -0.21 0.00 0.00 178.00 177.91 3nd2 h GLY 454 N 0.68 0.44 0.79 -0.55 0.00 -1.70 -1.96 103.07 100.76 3nd2 h GLY 454 Ca 0.23 -0.86 -0.00 0.00 0.00 0.00 0.00 47.33 46.70 3nd2 h GLY 454 CO -0.06 0.75 0.01 -2.08 0.00 0.00 0.00 176.54 175.16 3nd2 h VAL 455 N 0.19 1.19 -0.02 4.60 2.07 -1.02 -1.61 116.25 121.65 3nd2 h VAL 455 Ca -0.10 -0.56 0.03 0.00 0.82 0.00 0.00 66.70 66.89 3nd2 h VAL 455 Cb 1.71 1.48 -0.04 0.00 -1.52 0.00 0.00 31.29 32.92 3nd2 h VAL 455 CO 0.18 0.15 -0.21 0.58 0.02 0.00 0.00 177.57 178.30 3nd2 h VAL 456 N -0.14 0.51 -0.59 2.57 2.07 -1.18 -2.29 116.25 117.20 3nd2 h VAL 456 Ca 0.01 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.61 3nd2 h VAL 456 Cb 0.24 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.45 3nd2 h VAL 456 CO 0.00 0.00 0.25 -0.61 0.02 0.00 0.00 177.57 177.23 3nd2 h GLN 457 N -0.32 0.45 -0.72 1.57 5.75 -1.33 -0.60 115.11 119.92 3nd2 h GLN 457 Ca 0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3nd2 h GLN 457 Cb 0.41 -0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.82 3nd2 h GLN 457 CO -0.21 0.30 0.45 0.00 -2.65 0.00 0.00 178.83 176.72 3nd2 h ALA 458 N 1.37 1.44 -0.36 3.38 0.00 -1.10 0.11 119.26 124.09 3nd2 h ALA 458 Ca 0.28 -0.07 -0.11 0.00 0.00 0.00 0.00 54.91 55.01 3nd2 h ALA 458 Cb 0.29 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.77 3nd2 h ALA 458 CO -0.25 0.50 -0.22 0.00 0.00 0.00 0.00 179.25 179.28 3nd2 h LEU 460 N 0.62 0.75 0.07 0.00 3.38 -0.23 -1.77 115.31 118.13 3nd2 h LEU 460 Ca 0.09 -0.33 -0.00 0.00 0.09 0.00 0.00 57.88 57.72 3nd2 h LEU 460 Cb 0.71 -0.20 0.00 0.00 0.09 0.00 0.00 40.66 41.26 3nd2 h LEU 460 CO 0.05 0.90 -0.03 0.40 0.09 0.00 0.00 178.44 179.85 3nd2 h ILE 461 N 0.58 0.95 -0.32 1.22 1.08 -0.69 -3.20 117.51 117.12 3nd2 h ILE 461 Ca 0.11 -0.05 -0.01 0.00 -0.39 0.00 0.00 64.86 64.52 3nd2 h ILE 461 Cb 0.54 0.98 -0.02 0.00 -3.07 0.00 0.00 36.82 35.25 3nd2 h ILE 461 CO 0.03 0.01 0.14 1.23 -0.69 0.00 0.00 178.15 178.87 3nd2 h GLY 462 N -0.12 0.48 2.00 5.37 0.00 -1.19 -2.11 103.07 107.50 3nd2 h GLY 462 Ca -0.01 -0.21 0.00 0.00 0.00 0.00 0.00 47.33 47.11 3nd2 h GLY 462 CO 0.02 0.20 0.00 1.41 0.00 0.00 0.00 176.54 178.17 3nd2 h LEU 463 N 0.45 0.00 -1.66 3.11 3.38 -1.32 -2.39 115.31 116.88 3nd2 h LEU 463 Ca 0.11 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.08 3nd2 h LEU 463 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3nd2 h LEU 463 CO -0.01 0.00 -0.03 0.00 0.09 0.00 0.00 178.44 178.48 3nd2 n GLN 464 N -2.68 1.62 -0.23 1.13 6.02 -0.80 -4.68 117.38 117.75 3nd2 n GLN 464 Ca -0.01 -1.56 0.00 0.00 -0.01 0.00 0.00 57.00 55.42 3nd2 n GLN 464 Cb 0.13 -1.36 0.00 0.00 1.02 0.00 0.00 30.24 30.03 3nd2 n GLN 464 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 3nd2 n ASP 465 N 0.96 0.00 -4.70 1.08 -0.08 -0.92 -5.05 116.55 107.85 3nd2 n ASP 465 Ca 0.11 -0.38 -0.39 0.00 -1.51 0.00 0.00 54.79 52.62 3nd2 n ASP 465 Cb 0.46 0.00 0.04 0.00 2.34 0.00 0.00 41.12 43.96 3nd2 n ASP 465 CO 0.00 0.00 0.00 1.57 0.12 0.00 0.00 177.20 178.89 3nd2 n HIS 466 N -0.53 1.81 -0.25 -0.67 -0.00 -1.26 -4.64 115.22 109.68 3nd2 n HIS 466 Ca 0.00 0.45 0.21 0.00 -0.00 0.00 0.00 57.72 58.38 3nd2 n HIS 466 Cb 0.00 -2.29 0.53 0.00 -0.00 0.00 0.00 29.99 28.23 3nd2 n HIS 466 CO 0.00 0.00 0.00 -1.35 -0.00 0.00 0.00 176.34 174.99 3nd2 h PRO 467 N 1.24 0.35 -0.76 1.57 0.11 -1.92 -0.62 132.00 131.98 3nd2 h PRO 467 Ca -0.49 -0.02 -0.05 0.00 0.11 0.00 0.00 66.00 65.55 3nd2 h PRO 467 Cb 1.32 -0.08 -0.03 0.00 0.11 0.00 0.00 31.00 32.32 3nd2 h PRO 467 CO 0.56 0.23 0.28 0.87 -0.21 0.00 0.00 178.00 179.73 3nd2 h LYS 468 N 0.36 1.14 -0.16 1.05 1.57 -1.86 -0.45 116.57 118.22 3nd2 h LYS 468 Ca 0.48 -0.21 -0.07 0.00 -1.87 0.00 0.00 60.65 58.98 3nd2 h LYS 468 Cb 1.27 -0.18 -0.00 0.00 0.08 0.00 0.00 32.23 33.40 3nd2 h LYS 468 CO -0.18 0.94 -0.16 0.28 -0.57 0.00 0.00 179.45 179.76 3nd2 h VAL 469 N 1.11 1.34 -0.90 0.50 2.07 -1.46 -3.24 116.25 115.66 3nd2 h VAL 469 Ca 0.25 -1.32 0.02 0.00 0.82 0.00 0.00 66.70 66.47 3nd2 h VAL 469 Cb 0.24 1.83 -0.05 0.00 -1.52 0.00 0.00 31.29 31.79 3nd2 h VAL 469 CO -0.02 0.39 0.60 0.00 0.02 0.00 0.00 177.57 178.56 3nd2 h ALA 470 N 0.62 1.38 -0.41 1.67 0.00 -0.94 -1.26 119.26 120.32 3nd2 h ALA 470 Ca 0.03 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 3nd2 h ALA 470 Cb 0.69 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3nd2 h ALA 470 CO 0.04 0.57 0.17 1.15 0.00 0.00 0.00 179.25 181.18 3nd2 h THR 471 N 1.20 1.19 -0.27 0.00 2.02 -1.18 -1.82 112.91 114.04 3nd2 h THR 471 Ca 0.34 -0.57 -0.10 0.00 0.77 0.00 0.00 66.41 66.85 3nd2 h THR 471 Cb -0.10 0.81 -0.01 0.00 -1.74 0.00 0.00 68.15 67.11 3nd2 h THR 471 CO -0.08 0.21 -0.25 0.78 0.37 0.00 0.00 175.52 176.55 3nd2 h ASN 472 N 0.51 0.53 -0.05 4.18 2.35 -1.49 -2.83 115.58 118.79 3nd2 h ASN 472 Ca 0.14 -0.18 -0.09 0.00 -0.55 0.00 0.00 56.30 55.62 3nd2 h ASN 472 Cb 0.17 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.38 3nd2 h ASN 472 CO -0.01 0.78 -0.22 0.00 -1.65 0.00 0.00 177.43 176.33 3nd2 h SER 474 N 0.40 -0.21 -0.60 0.00 0.02 -1.14 -1.37 113.55 110.66 3nd2 h SER 474 Ca 0.06 -0.17 0.06 0.00 -0.84 0.00 0.00 61.79 60.90 3nd2 h SER 474 Cb 0.60 0.05 -0.04 0.00 0.14 0.00 0.00 62.40 63.16 3nd2 h SER 474 CO 0.04 0.06 0.40 -0.50 -1.14 0.00 0.00 176.83 175.68 3nd2 h TRP 475 N -0.48 0.60 -0.42 3.45 4.06 -1.47 -1.12 115.95 120.57 3nd2 h TRP 475 Ca -0.03 0.02 -0.06 0.00 2.06 0.00 0.00 58.89 60.88 3nd2 h TRP 475 Cb 0.37 -0.20 -0.02 0.00 -1.00 0.00 0.00 29.16 28.31 3nd2 h TRP 475 CO 0.00 0.33 0.03 1.15 -3.56 0.00 0.00 178.44 176.40 3nd2 h THR 476 N 0.60 1.25 -0.83 1.49 2.02 -1.17 -1.96 112.91 114.32 3nd2 h THR 476 Ca 0.26 -0.96 -0.03 0.00 0.77 0.00 0.00 66.41 66.45 3nd2 h THR 476 Cb 0.24 1.05 -0.04 0.00 -1.74 0.00 0.00 68.15 67.66 3nd2 h THR 476 CO -0.07 0.33 0.39 0.40 0.37 0.00 0.00 175.52 176.93 3nd2 h ILE 477 N 0.57 1.26 0.17 3.11 2.04 -0.65 0.12 117.51 124.13 3nd2 h ILE 477 Ca 0.12 -0.73 0.01 0.00 1.00 0.00 0.00 64.86 65.26 3nd2 h ILE 477 Cb 0.43 0.21 -0.03 0.00 -0.74 0.00 0.00 36.82 36.70 3nd2 h ILE 477 CO 0.02 0.31 -0.26 0.40 0.00 0.00 0.00 178.15 178.62 3nd2 h ILE 478 N 1.18 0.43 -0.18 -0.67 2.04 -1.17 -0.53 117.51 118.61 3nd2 h ILE 478 Ca 0.28 0.00 0.05 0.00 1.00 0.00 0.00 64.86 66.20 3nd2 h ILE 478 Cb 0.13 0.43 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 3nd2 h ILE 478 CO -0.03 0.00 -0.29 0.78 0.00 0.00 0.00 178.15 178.60 3nd2 h ASN 479 N -0.50 -0.92 -0.47 1.72 2.35 -1.05 0.45 115.58 117.16 3nd2 h ASN 479 Ca 0.02 0.15 0.08 0.00 -0.55 0.00 0.00 56.30 55.99 3nd2 h ASN 479 Cb 0.50 0.41 -0.10 0.00 0.05 0.00 0.00 38.32 39.18 3nd2 h ASN 479 CO -0.12 -0.33 -0.40 -0.07 -1.65 0.00 0.00 177.43 174.87 3nd2 h LEU 480 N -0.34 -1.34 0.08 1.61 3.38 -0.59 -0.95 115.31 117.15 3nd2 h LEU 480 Ca 0.11 0.22 -0.00 0.00 0.09 0.00 0.00 57.88 58.30 3nd2 h LEU 480 Cb 0.51 0.61 0.00 0.00 0.09 0.00 0.00 40.66 41.87 3nd2 h LEU 480 CO -0.37 -0.34 -0.04 0.58 0.09 0.00 0.00 178.44 178.36 3nd2 h VAL 481 N -0.27 1.11 -0.91 1.22 2.07 -0.79 0.32 116.25 119.00 3nd2 h VAL 481 Ca 0.17 -0.67 0.17 0.00 0.82 0.00 0.00 66.70 67.19 3nd2 h VAL 481 Cb 0.57 1.54 -0.10 0.00 -1.52 0.00 0.00 31.29 31.78 3nd2 h VAL 481 CO -0.61 0.16 0.50 -0.33 0.02 0.00 0.00 177.57 177.32 3nd2 h GLU 482 N -0.40 0.64 0.24 1.57 5.08 -0.77 -2.04 114.58 118.89 3nd2 h GLU 482 Ca -0.01 -0.04 -0.32 0.00 -1.00 0.00 0.00 59.36 57.99 3nd2 h GLU 482 Cb 0.35 -0.14 0.03 0.00 0.50 0.00 0.00 28.75 29.49 3nd2 h GLU 482 CO 0.02 0.42 -1.43 1.96 -1.00 0.00 0.00 179.01 178.98 3nd2 h GLN 483 N 0.66 0.50 -0.20 2.33 1.08 -1.01 -3.38 115.11 115.10 3nd2 h GLN 483 Ca 0.51 -0.85 0.00 0.00 -1.45 0.00 0.00 58.65 56.86 3nd2 h GLN 483 Cb 0.78 0.32 0.00 0.00 -0.05 0.00 0.00 27.48 28.52 3nd2 h GLN 483 CO -0.38 1.41 0.00 1.28 -0.95 0.00 0.00 178.83 180.18 3nd2 n LEU 484 N -3.76 2.22 0.06 1.46 4.77 0.09 -3.91 117.00 117.93 3nd2 n LEU 484 Ca -0.17 -0.90 0.12 0.00 -0.03 0.00 0.00 56.01 55.02 3nd2 n LEU 484 Cb 1.07 -0.12 0.23 0.00 -2.33 0.00 0.00 43.42 42.27 3nd2 n LEU 484 CO 0.58 0.45 0.47 0.00 -1.33 0.00 0.00 177.39 177.56 3nd2 n ALA 485 N 0.69 2.85 0.24 -1.18 0.00 -0.79 -3.86 120.51 118.46 3nd2 n ALA 485 Ca 0.17 -0.21 0.12 0.00 0.00 0.00 0.00 53.44 53.52 3nd2 n ALA 485 Cb 0.43 -1.23 0.14 0.00 0.00 0.00 0.00 19.45 18.79 3nd2 n ALA 485 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 3nd2 h GLU 486 N 0.00 0.00 -6.71 0.00 3.07 -1.80 -3.48 114.58 105.65 3nd2 h GLU 486 Ca 0.00 0.00 -0.56 0.00 -0.50 0.00 0.00 59.36 58.30 3nd2 h GLU 486 Cb 0.71 0.00 0.10 0.00 -0.84 0.00 0.00 28.75 28.72 3nd2 h GLU 486 CO 0.00 0.00 0.63 0.00 -1.40 0.00 0.00 179.01 178.24 3nd2 n ALA 487 N -2.08 1.55 -0.00 3.43 0.00 -1.25 -4.95 120.51 117.19 3nd2 n ALA 487 Ca 0.03 0.38 -0.12 0.00 0.00 0.00 0.00 53.44 53.73 3nd2 n ALA 487 Cb 0.52 -2.31 -0.07 0.00 0.00 0.00 0.00 19.45 17.59 3nd2 n ALA 487 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 177.50 178.65 3nd2 h THR 488 N 2.90 1.17 -2.98 0.00 2.02 -1.94 -2.95 112.91 111.14 3nd2 h THR 488 Ca -0.46 -0.51 -0.70 0.00 0.77 0.00 0.00 66.41 65.51 3nd2 h THR 488 Cb 1.27 1.40 -0.20 0.00 -1.74 0.00 0.00 68.15 68.88 3nd2 h THR 488 CO 0.70 0.14 0.09 -2.16 0.37 0.00 0.00 175.52 174.67 3nd2 s PRO 489 N -5.39 3.06 -0.37 6.66 0.05 -1.26 -5.06 135.00 132.69 3nd2 s PRO 489 Ca -0.14 -1.24 -0.22 0.00 0.05 0.00 0.00 61.00 59.45 3nd2 s PRO 489 Cb 0.05 -4.23 0.01 0.00 0.05 0.00 0.00 34.50 30.38 3nd2 s PRO 489 CO 0.68 -1.47 0.72 0.45 0.05 0.00 0.00 177.00 177.43 3nd2 s SER 490 N 3.42 6.49 0.04 6.66 0.15 -1.11 -4.93 113.70 124.41 3nd2 s SER 490 Ca 0.12 0.23 0.24 0.00 0.70 0.00 0.00 55.95 57.24 3nd2 s SER 490 Cb -0.23 -2.36 0.26 0.00 -1.71 0.00 0.00 66.02 61.98 3nd2 s SER 490 CO 0.07 -0.68 1.23 -0.81 1.20 0.00 0.00 173.24 174.25 3nd2 n PRO 491 N 6.26 0.14 0.21 5.44 -0.04 -1.26 -4.05 135.00 141.69 3nd2 n PRO 491 Ca 0.01 0.01 0.08 0.00 -0.04 0.00 0.00 63.50 63.56 3nd2 n PRO 491 Cb 0.48 -1.56 0.42 0.00 -0.04 0.00 0.00 33.50 32.81 3nd2 n PRO 491 CO 0.00 0.00 0.00 0.97 -0.04 0.00 0.00 175.50 176.43 3nd2 h ILE 492 N 0.00 0.76 0.00 0.52 6.09 -1.92 -3.11 117.51 119.85 3nd2 h ILE 492 Ca 0.00 -1.26 -0.07 0.00 -1.37 0.00 0.00 64.86 62.16 3nd2 h ILE 492 Cb 0.61 1.79 -0.01 0.00 0.47 0.00 0.00 36.82 39.68 3nd2 h ILE 492 CO 0.00 0.29 -0.33 1.88 -3.07 0.00 0.00 178.15 176.92 3nd2 h TYR 493 N 0.00 0.00 -0.05 2.19 0.05 -1.92 -1.39 116.97 115.85 3nd2 h TYR 493 Ca -0.00 0.00 0.02 0.00 0.05 0.00 0.00 58.73 58.79 3nd2 h TYR 493 Cb 0.77 0.00 -0.00 0.00 1.01 0.00 0.00 36.73 38.51 3nd2 h TYR 493 CO 0.00 0.33 0.06 -0.91 -1.05 0.00 0.00 178.16 176.60 3nd2 h ASN 494 N 0.00 0.00 -0.17 3.88 2.35 -1.81 -2.48 115.58 117.34 3nd2 h ASN 494 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 3nd2 h ASN 494 Cb 0.75 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.12 3nd2 h ASN 494 CO 0.04 0.00 0.00 0.49 -1.65 0.00 0.00 177.43 176.31 3nd2 n PHE 495 N -3.81 0.21 -0.03 1.19 3.72 -0.54 -4.62 117.46 113.59 3nd2 n PHE 495 Ca -0.02 -0.12 -0.08 0.00 -0.05 0.00 0.00 57.45 57.18 3nd2 n PHE 495 Cb 0.16 -0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 38.67 3nd2 n PHE 495 CO 0.00 0.00 0.00 1.88 -0.05 0.00 0.00 176.76 178.59 3nd2 h TYR 496 N 4.05 -0.34 -0.66 1.38 -1.99 -1.31 -0.13 116.97 117.97 3nd2 h TYR 496 Ca 0.00 0.02 0.05 0.00 2.00 0.00 0.00 58.73 60.81 3nd2 h TYR 496 Cb 0.89 0.18 -0.05 0.00 2.00 0.00 0.00 36.73 39.75 3nd2 h TYR 496 CO 0.10 -0.20 0.37 -1.35 -0.00 0.00 0.00 178.16 177.08 3nd2 h PRO 497 N -0.14 0.68 -0.06 4.88 0.11 -1.82 0.77 132.00 136.42 3nd2 h PRO 497 Ca 0.11 -0.04 -0.24 0.00 0.11 0.00 0.00 66.00 65.94 3nd2 h PRO 497 Cb 0.31 -0.15 0.01 0.00 0.11 0.00 0.00 31.00 31.28 3nd2 h PRO 497 CO -0.27 0.45 -0.92 0.00 -0.21 0.00 0.00 178.00 177.05 3nd2 h ALA 498 N 1.33 0.25 -0.17 -0.75 0.00 -1.83 -1.36 119.26 116.73 3nd2 h ALA 498 Ca 0.29 -0.66 -0.01 0.00 0.00 0.00 0.00 54.91 54.53 3nd2 h ALA 498 Cb 0.15 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 3nd2 h ALA 498 CO -0.17 0.71 0.07 -0.07 0.00 0.00 0.00 179.25 179.79 3nd2 h LEU 499 N 0.43 0.24 -0.71 0.00 3.38 -0.88 -1.44 115.31 116.32 3nd2 h LEU 499 Ca -0.09 -0.15 -0.01 0.00 0.09 0.00 0.00 57.88 57.72 3nd2 h LEU 499 Cb 1.55 -0.06 -0.03 0.00 0.09 0.00 0.00 40.66 42.21 3nd2 h LEU 499 CO 0.18 0.32 0.40 0.58 0.09 0.00 0.00 178.44 180.01 3nd2 h VAL 500 N 0.13 1.21 -0.81 1.22 2.07 -0.85 -1.45 116.25 117.78 3nd2 h VAL 500 Ca 0.06 -0.52 0.01 0.00 0.82 0.00 0.00 66.70 67.06 3nd2 h VAL 500 Cb 0.16 0.27 -0.04 0.00 -1.52 0.00 0.00 31.29 30.16 3nd2 h VAL 500 CO -0.01 0.23 0.53 -0.78 0.02 0.00 0.00 177.57 177.56 3nd2 h ASP 501 N 0.97 0.93 -0.50 0.57 3.58 -1.19 -0.67 116.42 120.11 3nd2 h ASP 501 Ca 0.25 -0.03 -0.10 0.00 0.42 0.00 0.00 57.03 57.57 3nd2 h ASP 501 Cb 0.02 -0.23 -0.02 0.00 1.72 0.00 0.00 39.33 40.82 3nd2 h ASP 501 CO -0.04 0.68 -0.06 1.23 -2.88 0.00 0.00 179.24 178.17 3nd2 h GLY 502 N 1.09 1.03 1.29 -0.78 0.00 -0.93 -2.19 103.07 102.58 3nd2 h GLY 502 Ca 0.29 -0.78 -0.12 0.00 0.00 0.00 0.00 47.33 46.72 3nd2 h GLY 502 CO -0.06 0.72 -0.22 1.41 0.00 0.00 0.00 176.54 178.38 3nd2 h LEU 503 N 0.87 0.83 -0.27 3.11 3.38 -1.05 -1.33 115.31 120.85 3nd2 h LEU 503 Ca 0.15 -0.30 -0.03 0.00 0.09 0.00 0.00 57.88 57.79 3nd2 h LEU 503 Cb 0.60 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3nd2 h LEU 503 CO 0.04 1.02 0.06 0.40 0.09 0.00 0.00 178.44 180.06 3nd2 h ILE 504 N 0.71 1.21 -0.57 1.22 2.04 -1.07 0.29 117.51 121.34 3nd2 h ILE 504 Ca 0.10 -0.71 0.11 0.00 1.00 0.00 0.00 64.86 65.37 3nd2 h ILE 504 Cb 0.75 1.17 -0.09 0.00 -0.74 0.00 0.00 36.82 37.90 3nd2 h ILE 504 CO 0.06 0.23 -0.00 1.23 0.00 0.00 0.00 178.15 179.67 3nd2 h GLY 505 N 0.26 0.59 1.36 5.37 0.00 -1.32 -2.30 103.07 107.03 3nd2 h GLY 505 Ca 0.08 0.08 -0.12 0.00 0.00 0.00 0.00 47.33 47.37 3nd2 h GLY 505 CO 0.00 -0.17 -0.27 0.00 0.00 0.00 0.00 176.54 176.10 3nd2 h ALA 506 N 1.51 0.86 0.00 3.60 0.00 -0.85 -2.65 119.26 121.73 3nd2 h ALA 506 Ca 0.29 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.81 3nd2 h ALA 506 Cb 0.46 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nd2 h ALA 506 CO -0.48 0.63 0.00 0.00 0.00 0.00 0.00 179.25 179.40 3nd2 h ALA 507 N 1.07 1.00 -0.15 0.00 0.00 -0.22 -2.96 119.26 118.00 3nd2 h ALA 507 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.99 3nd2 h ALA 507 Cb 0.78 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.57 3nd2 h ALA 507 CO 0.06 0.00 0.00 0.09 0.00 0.00 0.00 179.25 179.40 3nd2 n ASN 508 N -2.61 1.81 -4.64 0.00 3.02 -0.89 -4.96 115.26 107.00 3nd2 n ASN 508 Ca 0.01 -1.70 -0.30 0.00 -0.03 0.00 0.00 54.58 52.56 3nd2 n ASN 508 Cb 0.21 -0.10 0.18 0.00 -0.61 0.00 0.00 39.78 39.47 3nd2 n ASN 508 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3nd2 s ARG 509 N -1.81 0.58 0.38 3.52 1.70 -1.12 -4.92 118.95 117.28 3nd2 s ARG 509 Ca 0.34 1.01 0.08 0.00 -0.47 0.00 0.00 55.73 56.69 3nd2 s ARG 509 Cb 0.18 -1.72 0.76 0.00 -0.57 0.00 0.00 34.95 33.61 3nd2 s ARG 509 CO 0.28 -2.76 1.93 0.97 -1.08 0.00 0.00 175.30 174.64 3nd2 h ILE 510 N -1.94 1.17 -2.89 4.99 6.09 -1.93 -3.46 117.51 119.54 3nd2 h ILE 510 Ca -0.51 -0.68 -0.12 0.00 -1.37 0.00 0.00 64.86 62.17 3nd2 h ILE 510 Cb 1.29 1.05 -0.03 0.00 0.47 0.00 0.00 36.82 39.60 3nd2 h ILE 510 CO 0.50 0.22 -0.07 -0.90 -3.07 0.00 0.00 178.15 174.84 3nd2 n ASP 511 N -4.31 -0.60 -2.27 2.19 5.68 -1.26 -5.07 116.55 110.91 3nd2 n ASP 511 Ca 0.00 -1.83 -0.32 0.00 -0.50 0.00 0.00 54.79 52.14 3nd2 n ASP 511 Cb 0.23 1.11 0.06 0.00 -1.14 0.00 0.00 41.12 41.38 3nd2 n ASP 511 CO 0.00 0.00 0.00 -3.20 -1.33 0.00 0.00 177.20 172.67 3nd2 n ASN 512 N -1.92 6.86 -4.75 -1.12 5.15 -1.26 -4.40 115.26 113.82 3nd2 n ASN 512 Ca 0.00 -3.78 -0.41 0.00 -0.60 0.00 0.00 54.58 49.79 3nd2 n ASN 512 Cb 0.26 -0.79 -0.03 0.00 -0.53 0.00 0.00 39.78 38.69 3nd2 n ASN 512 CO 0.00 0.00 0.00 -1.83 1.40 0.00 0.00 177.26 176.83 3nd2 s GLU 513 N -3.77 4.35 -1.79 1.20 -1.05 -1.26 -1.95 118.70 114.43 3nd2 s GLU 513 Ca 0.60 2.17 0.00 0.00 -0.15 0.00 0.00 54.97 57.59 3nd2 s GLU 513 Cb 0.48 -3.13 0.00 0.00 -0.44 0.00 0.00 34.13 31.03 3nd2 s GLU 513 CO -0.02 -0.28 0.00 1.19 0.95 0.00 0.00 175.26 177.11 3nd2 n PHE 514 N 2.02 -0.01 -1.73 4.83 3.72 -1.26 -2.78 117.46 122.24 3nd2 n PHE 514 Ca 0.05 0.00 -0.13 0.00 -0.05 0.00 0.00 57.45 57.31 3nd2 n PHE 514 Cb 0.42 -3.18 -0.04 0.00 -0.94 0.00 0.00 39.48 35.74 3nd2 n PHE 514 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 3nd2 n ASN 515 N -1.27 -4.40 0.06 4.37 4.05 -0.82 -4.74 115.26 112.50 3nd2 n ASN 515 Ca -0.17 0.19 -0.06 0.00 0.45 0.00 0.00 54.58 54.99 3nd2 n ASN 515 Cb 0.64 -3.28 0.11 0.00 1.23 0.00 0.00 39.78 38.49 3nd2 n ASN 515 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 3nd2 h ALA 516 N 0.25 0.83 0.06 5.20 0.00 -1.70 -0.73 119.26 123.17 3nd2 h ALA 516 Ca -0.29 -0.52 -0.14 0.00 0.00 0.00 0.00 54.91 53.96 3nd2 h ALA 516 Cb 1.01 -0.08 0.01 0.00 0.00 0.00 0.00 17.79 18.73 3nd2 h ALA 516 CO 0.39 0.70 -0.57 -0.09 0.00 0.00 0.00 179.25 179.67 3nd2 h ARG 517 N 0.26 0.29 -0.68 0.00 2.43 -1.80 -2.79 114.38 112.09 3nd2 h ARG 517 Ca 0.00 -0.39 0.01 0.00 -0.81 0.00 0.00 59.98 58.79 3nd2 h ARG 517 Cb 1.07 0.13 -0.03 0.00 -0.42 0.00 0.00 29.97 30.72 3nd2 h ARG 517 CO 0.09 1.12 0.45 0.00 -1.51 0.00 0.00 179.97 180.12 3nd2 h ALA 518 N 0.19 0.86 -0.60 2.80 0.00 -1.90 -1.78 119.26 118.83 3nd2 h ALA 518 Ca -0.09 -0.05 0.12 0.00 0.00 0.00 0.00 54.91 54.90 3nd2 h ALA 518 Cb 1.36 -0.28 -0.09 0.00 0.00 0.00 0.00 17.79 18.78 3nd2 h ALA 518 CO 0.11 0.29 0.07 0.77 0.00 0.00 0.00 179.25 180.48 3nd2 h SER 519 N 0.92 -0.13 -0.63 0.00 0.02 -1.20 -1.74 113.55 110.78 3nd2 h SER 519 Ca 0.25 0.13 -0.08 0.00 -0.84 0.00 0.00 61.79 61.25 3nd2 h SER 519 Cb -0.11 0.21 -0.03 0.00 0.14 0.00 0.00 62.40 62.62 3nd2 h SER 519 CO -0.05 -0.05 0.10 0.00 -1.14 0.00 0.00 176.83 175.68 3nd2 h ALA 520 N 1.52 0.95 -0.54 3.77 0.00 -1.12 -1.07 119.26 122.77 3nd2 h ALA 520 Ca 0.32 -0.27 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3nd2 h ALA 520 Cb 0.50 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.02 3nd2 h ALA 520 CO -0.46 0.65 0.25 0.74 0.00 0.00 0.00 179.25 180.43 3nd2 h PHE 521 N 0.99 0.78 -0.55 0.00 0.04 -0.92 -0.85 116.94 116.44 3nd2 h PHE 521 Ca 0.20 -0.04 0.01 0.00 2.80 0.00 0.00 57.97 60.94 3nd2 h PHE 521 Cb 0.44 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.32 3nd2 h PHE 521 CO 0.03 0.62 0.35 0.77 -0.60 0.00 0.00 178.31 179.48 3nd2 h SER 522 N 0.72 0.59 -0.97 2.17 0.02 -1.00 -0.57 113.55 114.52 3nd2 h SER 522 Ca 0.18 -0.01 0.07 0.00 -0.84 0.00 0.00 61.79 61.19 3nd2 h SER 522 Cb 0.14 -0.14 -0.07 0.00 0.14 0.00 0.00 62.40 62.47 3nd2 h SER 522 CO -0.02 0.43 0.62 0.00 -1.14 0.00 0.00 176.83 176.72 3nd2 h ALA 523 N 1.22 1.35 -0.21 3.77 0.00 -1.04 -1.11 119.26 123.24 3nd2 h ALA 523 Ca 0.21 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 55.05 3nd2 h ALA 523 Cb -0.04 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3nd2 h ALA 523 CO -0.07 0.40 -0.12 -0.07 0.00 0.00 0.00 179.25 179.40 3nd2 h LEU 524 N 1.13 0.32 -0.37 0.00 3.38 -0.30 -0.25 115.31 119.23 3nd2 h LEU 524 Ca 0.42 -0.07 -0.03 0.00 0.09 0.00 0.00 57.88 58.29 3nd2 h LEU 524 Cb 0.18 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3nd2 h LEU 524 CO -0.18 0.48 0.13 0.74 0.09 0.00 0.00 178.44 179.70 3nd2 h THR 525 N 0.32 1.20 -0.09 0.22 2.02 0.04 -1.34 112.91 115.29 3nd2 h THR 525 Ca 0.06 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.60 3nd2 h THR 525 Cb 0.41 0.94 -0.01 0.00 -1.74 0.00 0.00 68.15 67.75 3nd2 h THR 525 CO 0.02 0.23 0.03 0.74 0.37 0.00 0.00 175.52 176.91 3nd2 h THR 526 N 0.45 0.98 -0.79 3.16 2.02 -0.86 -0.43 112.91 117.45 3nd2 h THR 526 Ca 0.12 -0.03 0.13 0.00 0.77 0.00 0.00 66.41 67.41 3nd2 h THR 526 Cb 0.23 0.90 -0.09 0.00 -1.74 0.00 0.00 68.15 67.45 3nd2 h THR 526 CO -0.01 0.01 0.37 0.24 0.37 0.00 0.00 175.52 176.51 3nd2 h MET 527 N 0.08 0.54 -0.21 6.66 2.07 -0.89 -0.56 114.93 122.61 3nd2 h MET 527 Ca 0.04 -0.03 -0.05 0.00 -2.07 0.00 0.00 59.70 57.59 3nd2 h MET 527 Cb 0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 31.60 29.62 3nd2 h MET 527 CO -0.04 0.36 -0.05 0.28 1.07 0.00 0.00 176.91 178.53 3nd2 h VAL 528 N 0.55 1.28 -0.80 -2.22 2.07 -0.99 -1.91 116.25 114.24 3nd2 h VAL 528 Ca 0.42 -1.03 0.00 0.00 0.82 0.00 0.00 66.70 66.92 3nd2 h VAL 528 Cb 0.58 1.53 -0.04 0.00 -1.52 0.00 0.00 31.29 31.84 3nd2 h VAL 528 CO -0.36 0.31 0.50 -0.33 0.02 0.00 0.00 177.57 177.72 3nd2 h GLU 529 N 0.13 1.07 -0.00 1.57 5.08 -0.57 -3.05 114.58 118.80 3nd2 h GLU 529 Ca 0.05 -0.08 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 3nd2 h GLU 529 Cb 0.49 -0.23 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3nd2 h GLU 529 CO 0.02 0.73 -0.58 0.66 -1.00 0.00 0.00 179.01 178.83 3nd2 n TYR 530 N -4.39 0.00 -1.47 4.33 4.02 -0.26 -4.98 117.16 114.40 3nd2 n TYR 530 Ca 0.09 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.60 3nd2 n TYR 530 Cb 0.05 -0.13 0.05 0.00 -0.02 0.00 0.00 39.34 39.29 3nd2 n TYR 530 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3nd2 n ALA 531 N -1.15 -0.80 -2.58 -0.72 0.00 -0.72 -5.04 120.51 109.50 3nd2 n ALA 531 Ca 0.07 -0.07 -0.27 0.00 0.00 0.00 0.00 53.44 53.18 3nd2 n ALA 531 Cb 0.35 -1.92 -0.11 0.00 0.00 0.00 0.00 19.45 17.77 3nd2 n ALA 531 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.50 178.45 3nd2 s THR 532 N -1.70 2.04 0.58 0.00 -4.23 -1.26 -5.01 115.64 106.06 3nd2 s THR 532 Ca 0.71 -2.07 0.29 0.00 -1.18 0.00 0.00 61.69 59.43 3nd2 s THR 532 Cb -0.41 -2.86 0.39 0.00 1.34 0.00 0.00 72.50 70.96 3nd2 s THR 532 CO 0.52 -0.08 1.94 0.44 -0.54 0.00 0.00 174.62 176.90 3nd2 h ASP 533 N 1.88 0.00 -0.05 3.99 3.32 -2.01 -0.48 116.42 123.07 3nd2 h ASP 533 Ca -0.43 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 56.57 3nd2 h ASP 533 Cb 1.24 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.78 3nd2 h ASP 533 CO 0.77 0.00 -0.11 0.74 -1.72 0.00 0.00 179.24 178.92 3nd2 h THR 534 N 0.00 1.19 -0.65 0.35 2.02 -2.02 -3.24 112.91 110.56 3nd2 h THR 534 Ca 0.21 -0.83 -0.44 0.00 0.77 0.00 0.00 66.41 66.11 3nd2 h THR 534 Cb 1.09 1.15 -0.29 0.00 -1.74 0.00 0.00 68.15 68.36 3nd2 h THR 534 CO -0.00 0.27 -0.25 1.33 0.37 0.00 0.00 175.52 177.24 3nd2 n VAL 535 N -4.26 2.75 -0.19 3.16 0.24 -0.19 -4.76 118.33 115.08 3nd2 n VAL 535 Ca -0.00 -3.49 0.00 0.00 -2.04 0.00 0.00 64.34 58.81 3nd2 n VAL 535 Cb 0.27 -0.86 0.25 0.00 -1.47 0.00 0.00 33.84 32.03 3nd2 n VAL 535 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nd2 h ALA 536 N 1.74 1.43 -0.57 2.33 0.00 -1.59 -1.49 119.26 121.11 3nd2 h ALA 536 Ca 0.36 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.14 3nd2 h ALA 536 Cb 1.40 -0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.89 3nd2 h ALA 536 CO 0.79 0.49 0.17 1.49 0.00 0.00 0.00 179.25 182.19 3nd2 h GLU 537 N 0.95 0.85 0.00 0.00 4.81 -1.89 0.13 114.58 119.43 3nd2 h GLU 537 Ca 0.25 -0.16 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 3nd2 h GLU 537 Cb -0.03 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.20 3nd2 h GLU 537 CO -0.05 0.74 -0.77 1.79 -0.73 0.00 0.00 179.01 179.99 3nd2 h THR 538 N 0.83 0.37 -0.31 0.32 1.35 -1.88 -2.45 112.91 111.13 3nd2 h THR 538 Ca 0.19 -1.60 -0.16 0.00 -0.55 0.00 0.00 66.41 64.29 3nd2 h THR 538 Cb 0.25 2.00 -0.01 0.00 -1.73 0.00 0.00 68.15 68.66 3nd2 h THR 538 CO -0.01 0.21 -0.43 -1.28 -0.25 0.00 0.00 175.52 173.76 3nd2 h SER 539 N 0.00 0.86 0.12 5.36 0.87 -1.00 -2.98 113.55 116.78 3nd2 h SER 539 Ca -0.04 -0.41 -0.05 0.00 -1.23 0.00 0.00 61.79 60.06 3nd2 h SER 539 Cb 1.26 -0.24 -0.01 0.00 -0.44 0.00 0.00 62.40 62.97 3nd2 h SER 539 CO 0.03 1.17 -0.19 0.00 -0.53 0.00 0.00 176.83 177.31 3nd2 h ALA 540 N 0.87 1.53 -0.90 6.23 0.00 -0.96 -2.76 119.26 123.26 3nd2 h ALA 540 Ca 0.04 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3nd2 h ALA 540 Cb 1.00 -0.07 -0.04 0.00 0.00 0.00 0.00 17.79 18.68 3nd2 h ALA 540 CO 0.10 0.34 0.53 0.77 0.00 0.00 0.00 179.25 180.98 3nd2 h SER 541 N 0.13 1.09 0.01 0.00 0.02 -1.29 -1.70 113.55 111.81 3nd2 h SER 541 Ca 0.02 -0.07 -0.00 0.00 -0.84 0.00 0.00 61.79 60.90 3nd2 h SER 541 Cb 0.41 -0.28 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3nd2 h SER 541 CO 0.03 0.84 -0.01 0.40 -1.14 0.00 0.00 176.83 176.96 3nd2 h ILE 542 N 1.24 1.37 -0.37 3.27 2.04 -1.36 -1.85 117.51 121.86 3nd2 h ILE 542 Ca 0.32 -1.18 0.07 0.00 1.00 0.00 0.00 64.86 65.06 3nd2 h ILE 542 Cb -0.03 2.17 -0.06 0.00 -0.74 0.00 0.00 36.82 38.16 3nd2 h ILE 542 CO -0.06 0.30 0.01 -1.28 0.00 0.00 0.00 178.15 177.13 3nd2 h SER 543 N -0.53 -0.13 -0.59 1.72 0.87 -1.51 -0.10 113.55 113.28 3nd2 h SER 543 Ca -0.00 0.08 0.08 0.00 -1.23 0.00 0.00 61.79 60.72 3nd2 h SER 543 Cb 0.51 0.14 -0.07 0.00 -0.44 0.00 0.00 62.40 62.55 3nd2 h SER 543 CO 0.00 -0.03 0.25 0.74 -0.53 0.00 0.00 176.83 177.26 3nd2 h THR 544 N 0.11 0.82 -0.22 2.23 2.02 -1.35 -2.28 112.91 114.24 3nd2 h THR 544 Ca 0.18 -0.15 -0.01 0.00 0.77 0.00 0.00 66.41 67.20 3nd2 h THR 544 Cb 0.25 0.33 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 3nd2 h THR 544 CO -0.29 0.08 0.11 0.15 0.37 0.00 0.00 175.52 175.94 3nd2 h PHE 545 N 0.45 0.32 0.00 3.16 3.57 -0.37 -1.44 116.94 122.62 3nd2 h PHE 545 Ca 0.29 -0.01 -0.10 0.00 3.53 0.00 0.00 57.97 61.68 3nd2 h PHE 545 Cb 0.32 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.95 3nd2 h PHE 545 CO -0.15 0.31 -0.46 -0.39 -2.23 0.00 0.00 178.31 175.39 3nd2 h VAL 546 N 0.23 0.95 -0.02 1.41 -1.51 -0.95 0.18 116.25 116.54 3nd2 h VAL 546 Ca 0.08 -1.89 -0.02 0.00 -1.23 0.00 0.00 66.70 63.64 3nd2 h VAL 546 Cb 0.11 2.15 0.00 0.00 -2.13 0.00 0.00 31.29 31.43 3nd2 h VAL 546 CO -0.01 0.45 -0.06 -0.03 -1.23 0.00 0.00 177.57 176.70 3nd2 h MET 547 N 0.00 0.08 -0.39 5.19 4.05 -1.37 -0.79 114.93 121.70 3nd2 h MET 547 Ca -0.00 -0.05 0.08 0.00 -0.28 0.00 0.00 59.70 59.44 3nd2 h MET 547 Cb 1.12 0.01 -0.08 0.00 -0.80 0.00 0.00 31.60 31.85 3nd2 h MET 547 CO 0.06 0.65 -0.12 0.22 0.23 0.00 0.00 176.91 177.95 3nd2 h ASP 548 N -0.48 -0.43 0.16 1.39 1.82 -1.07 -2.02 116.42 115.80 3nd2 h ASP 548 Ca -0.00 0.12 -0.11 0.00 -0.39 0.00 0.00 57.03 56.65 3nd2 h ASP 548 Cb 0.65 0.27 -0.01 0.00 0.68 0.00 0.00 39.33 40.91 3nd2 h ASP 548 CO 0.01 -0.15 -0.40 0.50 -1.61 0.00 0.00 179.24 177.59 3nd2 h LYS 549 N -0.03 0.33 -0.30 0.28 1.63 -0.62 -2.64 116.57 115.22 3nd2 h LYS 549 Ca 0.19 -0.16 -0.05 0.00 -0.85 0.00 0.00 60.65 59.78 3nd2 h LYS 549 Cb 0.32 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 31.93 3nd2 h LYS 549 CO -0.41 0.68 -0.01 1.25 -3.45 0.00 0.00 179.45 177.51 3nd2 h LEU 550 N 0.27 0.52 -2.05 5.20 5.85 -0.97 -2.70 115.31 121.43 3nd2 h LEU 550 Ca 0.03 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.42 3nd2 h LEU 550 Cb 0.83 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.72 3nd2 h LEU 550 CO 0.07 0.71 -0.05 1.23 -0.34 0.00 0.00 178.44 180.05 3nd2 h GLY 551 N 0.32 0.00 1.15 3.75 0.00 -1.28 -2.66 103.07 104.36 3nd2 h GLY 551 Ca 0.08 0.00 -0.27 0.00 0.00 0.00 0.00 47.33 47.14 3nd2 h GLY 551 CO 0.02 0.00 -1.10 1.46 0.00 0.00 0.00 176.54 176.92 3nd2 h GLN 552 N 0.00 0.62 -0.06 4.80 4.20 -1.24 -3.30 115.11 120.13 3nd2 h GLN 552 Ca -0.00 -0.76 -0.09 0.00 0.06 0.00 0.00 58.65 57.86 3nd2 h GLN 552 Cb 0.31 0.24 -0.01 0.00 0.30 0.00 0.00 27.48 28.32 3nd2 h GLN 552 CO 0.01 1.33 -0.36 1.79 -0.67 0.00 0.00 178.83 180.93 3nd2 h THR 553 N 0.25 1.27 0.00 -0.54 1.35 -1.17 -3.11 112.91 110.96 3nd2 h THR 553 Ca -0.16 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.39 3nd2 h THR 553 Cb 1.77 1.63 0.00 0.00 -1.73 0.00 0.00 68.15 69.83 3nd2 h THR 553 CO 0.21 0.39 0.00 0.23 -0.25 0.00 0.00 175.52 176.10 3nd2 n MET 554 N -4.09 0.01 0.00 4.72 2.81 -1.05 -2.81 117.12 116.71 3nd2 n MET 554 Ca -0.02 0.02 0.12 0.00 -1.81 0.00 0.00 57.70 56.01 3nd2 n MET 554 Cb 0.42 -1.50 0.21 0.00 -0.71 0.00 0.00 33.22 31.63 3nd2 n MET 554 CO 0.00 0.00 0.00 -1.13 1.51 0.00 0.00 175.97 176.35 3nd2 n SER 555 N -1.50 1.04 -4.74 7.83 3.41 -1.18 -4.91 113.62 113.58 3nd2 n SER 555 Ca 0.07 -0.83 -0.41 0.00 -0.26 0.00 0.00 58.87 57.44 3nd2 n SER 555 Cb 0.33 0.35 -0.04 0.00 -0.26 0.00 0.00 64.21 64.59 3nd2 n SER 555 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3nd2 s VAL 556 N -2.71 3.80 -0.51 -3.33 1.01 -1.12 -4.99 120.40 112.55 3nd2 s VAL 556 Ca 0.17 1.51 -0.28 0.00 0.00 0.00 0.00 61.98 63.38 3nd2 s VAL 556 Cb 0.18 -3.96 0.02 0.00 0.00 0.00 0.00 36.38 32.62 3nd2 s VAL 556 CO 0.63 0.24 1.29 -0.62 0.00 0.00 0.00 175.10 176.63 3nd2 s ASP 557 N 0.10 6.39 0.36 3.32 -1.08 -1.26 -4.91 116.67 119.59 3nd2 s ASP 557 Ca 0.51 0.41 0.08 0.00 -0.52 0.00 0.00 52.55 53.04 3nd2 s ASP 557 Cb -0.30 -2.55 0.68 0.00 -1.46 0.00 0.00 42.92 39.29 3nd2 s ASP 557 CO 0.35 -1.47 1.85 -0.33 0.52 0.00 0.00 175.17 176.09 3nd2 h GLU 558 N 10.12 0.25 -0.89 4.34 5.08 -1.96 -2.72 114.58 128.80 3nd2 h GLU 558 Ca -0.25 -0.07 0.24 0.00 -1.00 0.00 0.00 59.36 58.28 3nd2 h GLU 558 Cb 1.08 -0.03 -0.04 0.00 0.50 0.00 0.00 28.75 30.26 3nd2 h GLU 558 CO 1.15 0.45 0.63 -0.91 -1.00 0.00 0.00 179.01 179.33 3nd2 h ASN 559 N 0.23 0.11 0.43 1.42 2.35 -2.03 -2.50 115.58 115.58 3nd2 h ASN 559 Ca 0.04 0.01 0.00 0.00 -0.55 0.00 0.00 56.30 55.80 3nd2 h ASN 559 Cb 0.50 -0.01 0.00 0.00 0.05 0.00 0.00 38.32 38.87 3nd2 h ASN 559 CO 0.03 0.04 -0.47 0.00 -1.65 0.00 0.00 177.43 175.38 3nd2 n GLN 560 N -4.34 0.17 -2.55 0.81 1.13 -1.03 -4.95 117.38 106.62 3nd2 n GLN 560 Ca 0.19 -0.10 -0.41 0.00 -1.94 0.00 0.00 57.00 54.74 3nd2 n GLN 560 Cb 0.89 -1.50 -0.04 0.00 0.11 0.00 0.00 30.24 29.70 3nd2 n GLN 560 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 3nd2 s LEU 561 N -2.90 4.54 1.02 1.08 1.43 -0.94 -5.05 118.68 117.86 3nd2 s LEU 561 Ca 0.14 2.12 -0.14 0.00 -1.03 0.00 0.00 54.13 55.21 3nd2 s LEU 561 Cb 0.18 -3.61 0.20 0.00 0.03 0.00 0.00 46.19 42.98 3nd2 s LEU 561 CO 0.67 -0.12 1.13 0.42 0.23 0.00 0.00 176.35 178.68 3nd2 s THR 562 N -0.73 1.91 0.18 5.49 -4.23 -1.26 -4.73 115.64 112.27 3nd2 s THR 562 Ca 0.46 0.00 -0.13 0.00 -1.18 0.00 0.00 61.69 60.84 3nd2 s THR 562 Cb -0.29 -2.61 0.08 0.00 1.34 0.00 0.00 72.50 71.01 3nd2 s THR 562 CO 0.36 0.00 1.81 0.25 -0.54 0.00 0.00 174.62 176.51 3nd2 h LEU 563 N -1.92 0.50 -0.25 4.79 5.85 -1.99 0.12 115.31 122.40 3nd2 h LEU 563 Ca -0.50 0.01 -0.11 0.00 0.84 0.00 0.00 57.88 58.12 3nd2 h LEU 563 Cb 1.32 -0.10 -0.00 0.00 0.37 0.00 0.00 40.66 42.25 3nd2 h LEU 563 CO 0.52 0.35 -0.26 -0.08 -0.34 0.00 0.00 178.44 178.63 3nd2 h GLU 564 N 0.62 0.63 -0.21 1.25 4.81 -2.00 -2.86 114.58 116.83 3nd2 h GLU 564 Ca 0.22 -0.33 -0.13 0.00 -0.13 0.00 0.00 59.36 58.98 3nd2 h GLU 564 Cb 0.04 0.01 -0.01 0.00 0.63 0.00 0.00 28.75 29.43 3nd2 h GLU 564 CO -0.11 0.94 -0.44 -0.44 -0.73 0.00 0.00 179.01 178.23 3nd2 h ASP 565 N 0.34 0.54 -0.52 1.04 3.45 -1.88 -0.63 116.42 118.76 3nd2 h ASP 565 Ca 0.04 -0.25 0.01 0.00 0.43 0.00 0.00 57.03 57.26 3nd2 h ASP 565 Cb 0.82 -0.15 -0.03 0.00 -0.56 0.00 0.00 39.33 39.42 3nd2 h ASP 565 CO 0.06 0.91 0.34 0.00 -1.57 0.00 0.00 179.24 178.98 3nd2 h ALA 566 N 1.11 0.66 -0.48 3.45 0.00 -1.02 0.24 119.26 123.23 3nd2 h ALA 566 Ca 0.03 -0.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3nd2 h ALA 566 Cb 0.93 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3nd2 h ALA 566 CO 0.08 0.09 0.20 0.37 0.00 0.00 0.00 179.25 179.99 3nd2 h GLN 567 N 0.69 0.72 -0.47 0.00 4.15 -1.25 -2.32 115.11 116.64 3nd2 h GLN 567 Ca 0.19 -0.12 -0.11 0.00 0.77 0.00 0.00 58.65 59.38 3nd2 h GLN 567 Cb -0.07 -0.12 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 3nd2 h GLN 567 CO -0.05 0.63 -0.12 1.03 -1.93 0.00 0.00 178.83 178.39 3nd2 h SER 568 N 0.64 0.92 -0.15 -0.69 0.87 -0.87 -2.90 113.55 111.36 3nd2 h SER 568 Ca 0.16 -0.37 -0.01 0.00 -1.23 0.00 0.00 61.79 60.34 3nd2 h SER 568 Cb 0.18 -0.25 -0.01 0.00 -0.44 0.00 0.00 62.40 61.88 3nd2 h SER 568 CO -0.01 1.07 0.04 0.25 -0.53 0.00 0.00 176.83 177.65 3nd2 h LEU 569 N 0.75 0.22 -0.60 2.23 5.85 -0.48 -1.79 115.31 121.49 3nd2 h LEU 569 Ca 0.12 -0.21 0.12 0.00 0.84 0.00 0.00 57.88 58.74 3nd2 h LEU 569 Cb 0.68 -0.06 -0.12 0.00 0.37 0.00 0.00 40.66 41.53 3nd2 h LEU 569 CO 0.05 0.37 -0.16 1.56 -0.34 0.00 0.00 178.44 179.92 3nd2 h GLN 570 N 0.05 -0.01 0.02 1.25 4.20 -1.41 -1.59 115.11 117.62 3nd2 h GLN 570 Ca 0.05 0.00 -0.21 0.00 0.06 0.00 0.00 58.65 58.55 3nd2 h GLN 570 Cb 0.24 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.00 3nd2 h GLN 570 CO -0.00 -0.01 -0.98 0.93 -0.67 0.00 0.00 178.83 178.10 3nd2 h GLU 571 N -0.01 0.07 -0.22 1.46 5.08 -1.48 -1.83 114.58 117.65 3nd2 h GLU 571 Ca 0.29 -0.10 0.00 0.00 -1.00 0.00 0.00 59.36 58.55 3nd2 h GLU 571 Cb 0.45 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.73 3nd2 h GLU 571 CO -0.63 0.99 0.14 1.25 -1.00 0.00 0.00 179.01 179.77 3nd2 h LEU 572 N 0.02 0.25 -0.47 1.33 5.85 -0.97 -0.57 115.31 120.75 3nd2 h LEU 572 Ca -0.03 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.66 3nd2 h LEU 572 Cb 1.70 -0.06 -0.02 0.00 0.37 0.00 0.00 40.66 42.65 3nd2 h LEU 572 CO 0.14 0.18 0.24 1.56 -0.34 0.00 0.00 178.44 180.22 3nd2 h GLN 573 N 0.29 0.67 -0.45 1.25 4.20 -1.17 0.11 115.11 120.00 3nd2 h GLN 573 Ca 0.08 -0.09 0.09 0.00 0.06 0.00 0.00 58.65 58.79 3nd2 h GLN 573 Cb -0.03 -0.13 -0.10 0.00 0.30 0.00 0.00 27.48 27.53 3nd2 h GLN 573 CO -0.02 0.55 -0.27 1.03 -0.67 0.00 0.00 178.83 179.45 3nd2 h SER 574 N 0.62 -0.92 -0.61 1.46 0.87 -1.21 0.88 113.55 114.64 3nd2 h SER 574 Ca 0.16 0.19 0.03 0.00 -1.23 0.00 0.00 61.79 60.94 3nd2 h SER 574 Cb 0.09 0.46 -0.04 0.00 -0.44 0.00 0.00 62.40 62.47 3nd2 h SER 574 CO -0.02 -0.28 0.36 0.78 -0.53 0.00 0.00 176.83 177.14 3nd2 h ASN 575 N -0.18 0.58 -0.17 6.23 2.35 -0.21 -1.46 115.58 122.72 3nd2 h ASN 575 Ca 0.20 0.01 -0.01 0.00 -0.55 0.00 0.00 56.30 55.95 3nd2 h ASN 575 Cb 0.50 -0.11 -0.01 0.00 0.05 0.00 0.00 38.32 38.76 3nd2 h ASN 575 CO -0.55 0.40 0.06 0.40 -1.65 0.00 0.00 177.43 176.08 3nd2 h ILE 576 N 0.71 1.17 -0.94 2.81 2.04 -0.36 -2.86 117.51 120.07 3nd2 h ILE 576 Ca 0.25 -0.51 0.04 0.00 1.00 0.00 0.00 64.86 65.64 3nd2 h ILE 576 Cb 0.06 1.20 -0.06 0.00 -0.74 0.00 0.00 36.82 37.28 3nd2 h ILE 576 CO -0.12 0.16 0.62 -0.07 0.00 0.00 0.00 178.15 178.73 3nd2 h LEU 577 N 0.10 1.01 -0.07 1.44 3.38 -0.58 0.76 115.31 121.35 3nd2 h LEU 577 Ca 0.05 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 58.02 3nd2 h LEU 577 Cb 0.19 -0.23 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 3nd2 h LEU 577 CO -0.00 0.69 0.04 0.74 0.09 0.00 0.00 178.44 180.00 3nd2 h THR 578 N 1.17 1.06 -0.53 0.22 2.02 -1.17 0.40 112.91 116.08 3nd2 h THR 578 Ca 0.38 -0.17 -0.02 0.00 0.77 0.00 0.00 66.41 67.37 3nd2 h THR 578 Cb 0.04 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3nd2 h THR 578 CO -0.12 0.05 0.24 0.58 0.37 0.00 0.00 175.52 176.64 3nd2 h VAL 579 N 0.05 1.21 -0.72 3.16 2.07 -1.27 -2.79 116.25 117.95 3nd2 h VAL 579 Ca 0.03 -0.61 0.02 0.00 0.82 0.00 0.00 66.70 66.96 3nd2 h VAL 579 Cb 0.05 0.62 -0.04 0.00 -1.52 0.00 0.00 31.29 30.40 3nd2 h VAL 579 CO -0.00 0.24 0.47 0.25 0.02 0.00 0.00 177.57 178.54 3nd2 h LEU 580 N 0.71 0.80 -0.62 2.57 5.85 -0.66 0.41 115.31 124.37 3nd2 h LEU 580 Ca 0.18 -0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.91 3nd2 h LEU 580 Cb 0.15 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 40.95 3nd2 h LEU 580 CO -0.02 0.57 0.39 0.00 -0.34 0.00 0.00 178.44 179.04 3nd2 h ALA 581 N 1.28 0.80 -0.78 1.25 0.00 -0.88 -1.35 119.26 119.57 3nd2 h ALA 581 Ca 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 3nd2 h ALA 581 Cb -0.07 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.47 3nd2 h ALA 581 CO -0.08 0.16 0.43 0.00 0.00 0.00 0.00 179.25 179.77 3nd2 h ALA 582 N 1.26 1.00 0.26 0.00 0.00 -1.10 -2.15 119.26 118.52 3nd2 h ALA 582 Ca 0.24 -0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3nd2 h ALA 582 Cb -0.02 -0.31 0.00 0.00 0.00 0.00 0.00 17.79 17.46 3nd2 h ALA 582 CO -0.08 0.51 -0.13 0.28 0.00 0.00 0.00 179.25 179.82 3nd2 h VAL 583 N 1.08 0.72 -0.80 0.00 2.07 -0.53 0.09 116.25 118.89 3nd2 h VAL 583 Ca 0.28 0.00 0.13 0.00 0.82 0.00 0.00 66.70 67.93 3nd2 h VAL 583 Cb 0.03 0.72 -0.09 0.00 -1.52 0.00 0.00 31.29 30.43 3nd2 h VAL 583 CO -0.05 0.00 0.39 0.40 0.02 0.00 0.00 177.57 178.33 3nd2 h ILE 584 N -0.36 0.74 -0.14 4.57 2.04 -1.15 -1.66 117.51 121.54 3nd2 h ILE 584 Ca -0.03 -0.20 -0.11 0.00 1.00 0.00 0.00 64.86 65.52 3nd2 h ILE 584 Cb 0.29 0.11 0.00 0.00 -0.74 0.00 0.00 36.82 36.48 3nd2 h ILE 584 CO 0.05 0.11 -0.33 0.03 0.00 0.00 0.00 178.15 178.01 3nd2 h ARG 585 N 0.58 0.46 -0.27 2.37 3.08 -1.18 -3.01 114.38 116.42 3nd2 h ARG 585 Ca 0.43 -0.32 -0.10 0.00 0.07 0.00 0.00 59.98 60.06 3nd2 h ARG 585 Cb 0.58 0.05 -0.01 0.00 0.08 0.00 0.00 29.97 30.66 3nd2 h ARG 585 CO -0.35 0.93 -0.27 -0.22 -1.07 0.00 0.00 179.97 178.98 3nd2 h LYS 586 N 0.07 0.53 -2.41 0.04 1.63 -0.77 -3.36 116.57 112.30 3nd2 h LYS 586 Ca -0.00 -0.21 -0.59 0.00 -0.85 0.00 0.00 60.65 58.99 3nd2 h LYS 586 Cb 0.93 -0.02 -0.39 0.00 -0.60 0.00 0.00 32.23 32.14 3nd2 h LYS 586 CO 0.07 0.76 -0.89 -1.13 -3.45 0.00 0.00 179.45 174.81 3nd2 n SER 587 N -4.10 0.77 -0.54 4.20 3.41 -0.64 -4.91 113.62 111.81 3nd2 n SER 587 Ca -0.00 -2.72 0.00 0.00 -0.26 0.00 0.00 58.87 55.89 3nd2 n SER 587 Cb 0.43 -0.62 0.00 0.00 -0.26 0.00 0.00 64.21 63.75 3nd2 n SER 587 CO 0.00 0.00 0.00 -2.65 -0.16 0.00 0.00 175.04 172.23 3nd2 n PRO 588 N 2.15 0.61 -0.06 4.33 -0.02 -1.14 -3.20 135.00 137.68 3nd2 n PRO 588 Ca 0.26 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.61 3nd2 n PRO 588 Cb 0.46 -1.30 -0.14 0.00 -0.02 0.00 0.00 33.50 32.50 3nd2 n PRO 588 CO 0.00 0.00 0.00 0.43 1.98 0.00 0.00 175.50 177.91 3nd2 n SER 589 N 0.23 1.07 -1.02 2.55 7.64 -1.26 -4.20 113.62 118.63 3nd2 n SER 589 Ca 0.00 0.16 0.11 0.00 1.01 0.00 0.00 58.87 60.15 3nd2 n SER 589 Cb 0.16 0.01 0.16 0.00 -1.01 0.00 0.00 64.21 63.54 3nd2 n SER 589 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 3nd2 n SER 590 N -3.09 3.19 0.04 6.43 7.64 -1.19 -4.63 113.62 122.01 3nd2 n SER 590 Ca -0.29 -1.96 -0.22 0.00 1.01 0.00 0.00 58.87 57.40 3nd2 n SER 590 Cb 1.07 -0.14 -0.14 0.00 -1.01 0.00 0.00 64.21 63.99 3nd2 n SER 590 CO 0.00 0.00 0.00 0.58 -3.01 0.00 0.00 175.04 172.61 3nd2 h VAL 591 N 4.35 0.78 0.00 0.44 2.07 -1.73 -3.39 116.25 118.78 3nd2 h VAL 591 Ca 0.00 -2.43 -0.06 0.00 0.82 0.00 0.00 66.70 65.03 3nd2 h VAL 591 Cb 0.95 2.64 -0.01 0.00 -1.52 0.00 0.00 31.29 33.36 3nd2 h VAL 591 CO 0.00 0.88 -0.30 1.05 0.02 0.00 0.00 177.57 179.22 3nd2 h GLU 592 N 0.09 0.00 -0.13 1.57 9.09 -1.82 -2.21 114.58 121.17 3nd2 h GLU 592 Ca -0.38 0.00 -0.09 0.00 0.05 0.00 0.00 59.36 58.93 3nd2 h GLU 592 Cb 2.07 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 29.17 3nd2 h GLU 592 CO 0.14 0.30 -0.29 -1.00 0.05 0.00 0.00 179.01 178.21 3nd2 h PRO 593 N 0.00 0.43 0.00 1.06 0.13 -1.91 -3.29 132.00 128.42 3nd2 h PRO 593 Ca -0.00 -0.28 0.00 0.00 -0.87 0.00 0.00 66.00 64.84 3nd2 h PRO 593 Cb 0.54 0.04 0.00 0.00 0.13 0.00 0.00 31.00 31.71 3nd2 h PRO 593 CO 0.04 0.89 0.00 1.33 -0.23 0.00 0.00 178.00 180.03 3nd2 n VAL 594 N -4.41 0.00 -0.29 1.56 0.24 -1.15 -4.35 118.33 109.94 3nd2 n VAL 594 Ca -0.07 0.00 -0.03 0.00 -2.04 0.00 0.00 64.34 62.20 3nd2 n VAL 594 Cb 0.47 -0.52 0.14 0.00 -1.47 0.00 0.00 33.84 32.46 3nd2 n VAL 594 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3nd2 h ALA 595 N 3.52 1.24 -0.24 2.33 0.00 -1.47 0.21 119.26 124.85 3nd2 h ALA 595 Ca 0.00 -0.12 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 3nd2 h ALA 595 Cb 0.00 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.45 3nd2 h ALA 595 CO 0.00 0.62 -0.42 -0.44 0.00 0.00 0.00 179.25 179.01 3nd2 h ASP 596 N 1.16 0.61 -0.21 0.00 3.32 -1.85 -2.27 116.42 117.19 3nd2 h ASP 596 Ca 0.29 -0.28 -0.10 0.00 0.02 0.00 0.00 57.03 56.97 3nd2 h ASP 596 Cb 0.02 -0.17 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 3nd2 h ASP 596 CO -0.05 0.96 -0.25 -0.03 -1.72 0.00 0.00 179.24 178.15 3nd2 h MET 597 N 0.47 0.54 -0.30 3.56 1.85 -1.70 -2.60 114.93 116.75 3nd2 h MET 597 Ca 0.04 -0.30 -0.01 0.00 -0.61 0.00 0.00 59.70 58.82 3nd2 h MET 597 Cb 0.93 0.02 -0.01 0.00 0.43 0.00 0.00 31.60 32.96 3nd2 h MET 597 CO 0.08 0.89 0.15 -0.07 -0.40 0.00 0.00 176.91 177.57 3nd2 h LEU 598 N 0.21 0.38 -1.41 3.39 3.38 -0.58 -2.54 115.31 118.14 3nd2 h LEU 598 Ca 0.03 -0.11 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 3nd2 h LEU 598 Cb 0.81 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 3nd2 h LEU 598 CO 0.06 0.38 -0.29 0.24 0.09 0.00 0.00 178.44 178.92 3nd2 h MET 599 N 0.36 0.00 -0.56 1.13 2.86 -1.49 -1.59 114.93 115.64 3nd2 h MET 599 Ca 0.10 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 57.64 3nd2 h MET 599 Cb 0.09 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 31.73 3nd2 h MET 599 CO -0.01 0.29 -0.06 0.78 1.06 0.00 0.00 176.91 178.97 3nd2 h GLY 600 N 1.04 1.10 1.02 8.32 0.00 -1.15 -2.09 103.07 111.31 3nd2 h GLY 600 Ca -0.00 -0.84 -0.13 0.00 0.00 0.00 0.00 47.33 46.35 3nd2 h GLY 600 CO 0.04 0.77 -0.33 1.41 0.00 0.00 0.00 176.54 178.43 3nd2 h LEU 601 N 0.91 0.83 -0.52 3.11 3.38 -1.12 -2.63 115.31 119.28 3nd2 h LEU 601 Ca 0.15 -0.48 -0.03 0.00 0.09 0.00 0.00 57.88 57.61 3nd2 h LEU 601 Cb 0.62 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 41.11 3nd2 h LEU 601 CO 0.04 1.14 0.20 -0.26 0.09 0.00 0.00 178.44 179.65 3nd2 h PHE 602 N 0.54 0.79 -0.52 1.13 0.04 -1.21 0.10 116.94 117.81 3nd2 h PHE 602 Ca 0.05 -0.06 -0.02 0.00 2.80 0.00 0.00 57.97 60.73 3nd2 h PHE 602 Cb 0.91 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 38.80 3nd2 h PHE 602 CO 0.07 0.66 0.23 0.74 -0.60 0.00 0.00 178.31 179.41 3nd2 h PHE 603 N 0.69 0.77 -0.90 -0.55 0.04 -1.45 -1.90 116.94 113.64 3nd2 h PHE 603 Ca 0.17 -0.05 0.07 0.00 2.80 0.00 0.00 57.97 60.96 3nd2 h PHE 603 Cb 0.21 -0.23 -0.06 0.00 2.20 0.00 0.00 35.95 38.07 3nd2 h PHE 603 CO 0.01 0.62 0.58 0.00 -0.60 0.00 0.00 178.31 178.92 3nd2 h ARG 604 N 0.70 0.97 0.00 1.51 3.08 -1.14 -1.38 114.38 118.12 3nd2 h ARG 604 Ca 0.18 -0.06 -0.06 0.00 0.07 0.00 0.00 59.98 60.11 3nd2 h ARG 604 Cb 0.15 -0.22 -0.01 0.00 0.08 0.00 0.00 29.97 29.98 3nd2 h ARG 604 CO -0.02 0.64 -0.29 -0.07 -1.07 0.00 0.00 179.97 179.16 3nd2 h LEU 605 N 1.00 0.00 -0.01 3.04 3.38 -0.51 -0.56 115.31 121.64 3nd2 h LEU 605 Ca 0.39 0.00 -0.08 0.00 0.09 0.00 0.00 57.88 58.28 3nd2 h LEU 605 Cb 0.23 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.97 3nd2 h LEU 605 CO -0.15 0.29 -0.36 -0.07 0.09 0.00 0.00 178.44 178.24 3nd2 h LEU 606 N 0.00 0.00 0.00 1.67 3.38 -0.50 -3.18 115.31 116.67 3nd2 h LEU 606 Ca -0.00 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.79 3nd2 h LEU 606 Cb 0.62 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.35 3nd2 h LEU 606 CO 0.04 0.36 -1.14 -0.33 0.09 0.00 0.00 178.44 177.47 3nd2 h GLU 607 N 0.00 0.00 -6.14 1.13 5.08 -0.99 -3.45 114.58 110.22 3nd2 h GLU 607 Ca -0.00 0.00 -0.74 0.00 -1.00 0.00 0.00 59.36 57.61 3nd2 h GLU 607 Cb 1.28 0.00 0.05 0.00 0.50 0.00 0.00 28.75 30.57 3nd2 h GLU 607 CO 0.05 0.50 0.38 1.17 -1.00 0.00 0.00 179.01 180.10 3nd2 n LYS 608 N -3.08 0.64 -0.29 2.33 4.81 -0.25 -4.83 118.16 117.49 3nd2 n LYS 608 Ca -0.06 0.23 0.08 0.00 -0.87 0.00 0.00 58.31 57.69 3nd2 n LYS 608 Cb 0.86 -1.82 0.24 0.00 0.02 0.00 0.00 35.03 34.33 3nd2 n LYS 608 CO 0.00 0.00 0.00 -0.22 1.17 0.00 0.00 177.40 178.35 3nd2 h LYS 609 N 4.30 0.55 -1.97 1.64 3.64 -1.90 -0.68 116.57 122.16 3nd2 h LYS 609 Ca -0.48 -0.03 -0.64 0.00 -1.27 0.00 0.00 60.65 58.22 3nd2 h LYS 609 Cb 1.37 -0.12 -0.23 0.00 -0.41 0.00 0.00 32.23 32.84 3nd2 h LYS 609 CO 0.77 0.37 0.76 -0.25 -2.27 0.00 0.00 179.45 178.82 3nd2 n ASP 610 N -4.91 7.06 0.21 4.20 9.92 -1.26 -4.64 116.55 127.12 3nd2 n ASP 610 Ca 0.18 -3.55 0.09 0.00 -0.53 0.00 0.00 54.79 50.98 3nd2 n ASP 610 Cb 0.47 -1.14 0.39 0.00 -0.64 0.00 0.00 41.12 40.21 3nd2 n ASP 610 CO 0.00 0.00 0.00 0.77 0.13 0.00 0.00 177.20 178.10 3nd2 h SER 611 N 2.95 0.00 -0.83 -2.24 4.64 -1.36 -3.25 113.55 113.46 3nd2 h SER 611 Ca 0.49 0.00 0.20 0.00 -0.47 0.00 0.00 61.79 62.01 3nd2 h SER 611 Cb 0.36 0.00 -0.13 0.00 -0.31 0.00 0.00 62.40 62.32 3nd2 h SER 611 CO 1.18 0.26 0.25 0.00 -0.87 0.00 0.00 176.83 177.65 3nd2 h ALA 612 N 1.74 1.19 -0.20 5.18 0.00 -1.85 1.01 119.26 126.33 3nd2 h ALA 612 Ca -0.00 0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.94 3nd2 h ALA 612 Cb 0.83 0.25 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 3nd2 h ALA 612 CO 0.03 -0.39 -0.52 0.35 0.00 0.00 0.00 179.25 178.73 3nd2 h PHE 613 N 0.28 0.72 0.00 0.00 3.57 -1.97 -3.33 116.94 116.20 3nd2 h PHE 613 Ca 0.50 -0.25 0.00 0.00 3.53 0.00 0.00 57.97 61.76 3nd2 h PHE 613 Cb 0.95 -0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3nd2 h PHE 613 CO -0.24 0.98 -0.99 0.44 -2.23 0.00 0.00 178.31 176.26 3nd2 n ILE 614 N -3.97 0.00 -0.03 1.41 -5.35 -0.74 -4.56 119.36 106.12 3nd2 n ILE 614 Ca -0.03 -0.11 0.14 0.00 -0.27 0.00 0.00 62.75 62.47 3nd2 n ILE 614 Cb 0.59 0.88 0.56 0.00 -1.74 0.00 0.00 39.64 39.93 3nd2 n ILE 614 CO 0.00 0.00 0.00 1.05 -1.76 0.00 0.00 176.55 175.84 3nd2 h GLU 615 N 0.00 0.26 0.63 6.28 4.11 0.93 0.23 114.58 127.02 3nd2 h GLU 615 Ca 0.00 -0.02 -0.03 0.00 0.07 0.00 0.00 59.36 59.38 3nd2 h GLU 615 Cb 0.49 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.69 3nd2 h GLU 615 CO 0.00 0.17 -0.30 0.22 0.07 0.00 0.00 179.01 179.17 3nd2 h ASP 616 N 0.27 -0.71 -0.83 3.06 3.58 -1.80 0.53 116.42 120.52 3nd2 h ASP 616 Ca 0.24 -0.00 0.08 0.00 0.42 0.00 0.00 57.03 57.78 3nd2 h ASP 616 Cb 0.61 0.18 -0.06 0.00 1.72 0.00 0.00 39.33 41.78 3nd2 h ASP 616 CO -0.05 -0.46 0.54 0.44 -2.88 0.00 0.00 179.24 176.83 3nd2 h ASP 617 N -0.92 0.75 -0.30 2.28 3.32 -1.47 -1.55 116.42 118.53 3nd2 h ASP 617 Ca -0.09 0.01 -0.13 0.00 0.02 0.00 0.00 57.03 56.85 3nd2 h ASP 617 Cb 0.67 -0.14 -0.00 0.00 0.22 0.00 0.00 39.33 40.07 3nd2 h ASP 617 CO 0.14 0.46 -0.31 0.58 -1.72 0.00 0.00 179.24 178.39 3nd2 h VAL 618 N 0.84 1.30 -0.99 -1.35 2.07 -0.39 -2.47 116.25 115.26 3nd2 h VAL 618 Ca 0.37 -1.48 0.01 0.00 0.82 0.00 0.00 66.70 66.43 3nd2 h VAL 618 Cb 0.35 1.55 -0.05 0.00 -1.52 0.00 0.00 31.29 31.62 3nd2 h VAL 618 CO -0.14 0.48 0.66 -0.26 0.02 0.00 0.00 177.57 178.32 3nd2 h PHE 619 N 0.50 1.25 -0.32 1.57 -1.00 -0.52 -0.52 116.94 117.90 3nd2 h PHE 619 Ca 0.05 0.03 -0.09 0.00 2.81 0.00 0.00 57.97 60.76 3nd2 h PHE 619 Cb 0.88 -0.42 -0.02 0.00 3.61 0.00 0.00 35.95 40.01 3nd2 h PHE 619 CO 0.07 0.78 -0.20 -0.92 -1.61 0.00 0.00 178.31 176.43 3nd2 h TYR 620 N 1.34 0.65 -0.11 -0.55 3.20 -1.18 0.34 116.97 120.66 3nd2 h TYR 620 Ca 0.37 -0.13 -0.23 0.00 3.14 0.00 0.00 58.73 61.88 3nd2 h TYR 620 Cb -0.15 -0.16 0.01 0.00 1.54 0.00 0.00 36.73 37.97 3nd2 h TYR 620 CO -0.00 0.75 -0.82 0.00 -1.64 0.00 0.00 178.16 176.45 3nd2 h ALA 621 N 1.26 0.33 -0.29 1.82 0.00 -1.05 -2.23 119.26 119.10 3nd2 h ALA 621 Ca 0.08 -0.62 -0.00 0.00 0.00 0.00 0.00 54.91 54.37 3nd2 h ALA 621 Cb 0.64 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 18.40 3nd2 h ALA 621 CO 0.05 0.70 0.17 0.82 0.00 0.00 0.00 179.25 180.99 3nd2 h ILE 622 N 0.47 1.10 -0.37 0.00 2.04 -0.94 -0.48 117.51 119.34 3nd2 h ILE 622 Ca -0.06 -0.25 0.08 0.00 1.00 0.00 0.00 64.86 65.63 3nd2 h ILE 622 Cb 1.45 0.75 -0.08 0.00 -0.74 0.00 0.00 36.82 38.20 3nd2 h ILE 622 CO 0.16 0.10 -0.15 0.28 0.00 0.00 0.00 178.15 178.55 3nd2 h SER 623 N 0.37 -0.51 -0.92 1.72 0.02 -0.93 0.10 113.55 113.40 3nd2 h SER 623 Ca 0.10 0.13 0.06 0.00 -0.84 0.00 0.00 61.79 61.24 3nd2 h SER 623 Cb 0.02 0.29 -0.06 0.00 0.14 0.00 0.00 62.40 62.79 3nd2 h SER 623 CO -0.02 -0.18 0.59 0.00 -1.14 0.00 0.00 176.83 176.08 3nd2 h ALA 624 N 1.24 1.25 -0.43 3.77 0.00 -1.16 -1.34 119.26 122.59 3nd2 h ALA 624 Ca 0.18 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 3nd2 h ALA 624 Cb 0.35 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3nd2 h ALA 624 CO -0.42 0.38 0.19 1.25 0.00 0.00 0.00 179.25 180.65 3nd2 h LEU 625 N 1.08 0.58 0.03 0.00 5.85 -0.03 -2.44 115.31 120.39 3nd2 h LEU 625 Ca 0.39 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.99 3nd2 h LEU 625 Cb 0.12 -0.15 -0.05 0.00 0.37 0.00 0.00 40.66 40.95 3nd2 h LEU 625 CO -0.16 0.56 -0.38 0.00 -0.34 0.00 0.00 178.44 178.13 3nd2 h ALA 626 N 1.04 -0.61 -0.85 1.25 0.00 -0.34 -1.75 119.26 118.00 3nd2 h ALA 626 Ca 0.15 -0.04 0.22 0.00 0.00 0.00 0.00 54.91 55.23 3nd2 h ALA 626 Cb 0.15 0.66 -0.05 0.00 0.00 0.00 0.00 17.79 18.55 3nd2 h ALA 626 CO -0.02 -0.91 0.59 0.00 0.00 0.00 0.00 179.25 178.91 3nd2 h ALA 627 N 0.05 2.50 0.04 0.00 0.00 -1.18 -0.53 119.26 120.13 3nd2 h ALA 627 Ca 0.05 -0.01 -0.23 0.00 0.00 0.00 0.00 54.91 54.72 3nd2 h ALA 627 Cb 0.62 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 3nd2 h ALA 627 CO -0.28 -0.75 -1.03 0.77 0.00 0.00 0.00 179.25 177.96 3nd2 h SER 628 N 0.19 0.40 0.35 0.00 0.02 -0.89 -3.35 113.55 110.28 3nd2 h SER 628 Ca 0.42 -0.36 -0.31 0.00 -0.84 0.00 0.00 61.79 60.70 3nd2 h SER 628 Cb 1.36 -0.13 -0.06 0.00 0.14 0.00 0.00 62.40 63.72 3nd2 h SER 628 CO -0.09 1.20 -1.90 0.18 -1.14 0.00 0.00 176.83 175.08 3nd2 n LEU 629 N -3.64 0.62 0.00 5.07 4.77 -0.72 -4.98 117.00 118.12 3nd2 n LEU 629 Ca -0.06 0.29 0.00 0.00 -0.03 0.00 0.00 56.01 56.21 3nd2 n LEU 629 Cb 0.89 0.27 0.00 0.00 -2.33 0.00 0.00 43.42 42.25 3nd2 n LEU 629 CO 0.51 0.42 0.00 0.61 -1.33 0.00 0.00 177.39 177.60 3nd2 n GLY 630 N 1.61 2.90 0.31 -0.72 0.00 -0.27 -1.96 105.19 107.05 3nd2 n GLY 630 Ca -0.21 0.24 -0.03 0.00 0.00 0.00 0.00 46.02 46.02 3nd2 n GLY 630 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3nd2 h LYS 631 N 0.00 0.90 0.00 1.61 1.57 -1.89 -2.67 116.57 116.09 3nd2 h LYS 631 Ca 0.00 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.62 3nd2 h LYS 631 Cb 0.00 -0.15 0.00 0.00 0.08 0.00 0.00 32.23 32.16 3nd2 h LYS 631 CO 0.00 0.77 0.14 0.41 -0.57 0.00 0.00 179.45 180.19 3nd2 n GLY 632 N -0.93 -0.59 0.09 3.86 0.00 -0.83 -1.69 105.19 105.11 3nd2 n GLY 632 Ca 0.05 0.09 -0.03 0.00 0.00 0.00 0.00 46.02 46.13 3nd2 n GLY 632 CO 0.00 0.00 0.00 -2.75 0.00 0.00 0.00 173.32 170.57 3nd2 h PHE 633 N 0.00 0.00 -1.19 1.61 3.57 -1.66 -3.38 116.94 115.89 3nd2 h PHE 633 Ca 0.00 0.00 0.34 0.00 3.53 0.00 0.00 57.97 61.84 3nd2 h PHE 633 Cb 0.27 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.93 3nd2 h PHE 633 CO 0.00 0.76 0.80 0.93 -2.23 0.00 0.00 178.31 178.57 3nd2 h GLU 634 N 0.00 0.18 -0.03 1.11 5.08 -1.50 -0.30 114.58 119.12 3nd2 h GLU 634 Ca -0.08 -0.01 0.01 0.00 -1.00 0.00 0.00 59.36 58.28 3nd2 h GLU 634 Cb 1.65 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 30.86 3nd2 h GLU 634 CO 0.09 0.12 0.03 1.57 -1.00 0.00 0.00 179.01 179.81 3nd2 h LYS 635 N 0.18 0.00 0.00 2.33 2.10 -1.80 -2.06 116.57 117.33 3nd2 h LYS 635 Ca 0.65 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 59.30 3nd2 h LYS 635 Cb 2.08 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 33.41 3nd2 h LYS 635 CO -0.21 0.00 -0.46 0.66 -2.00 0.00 0.00 179.45 177.44 3nd2 n TYR 636 N -4.20 0.13 0.10 0.07 4.01 -0.12 -4.42 117.16 112.73 3nd2 n TYR 636 Ca -0.02 0.04 0.02 0.00 -0.16 0.00 0.00 57.90 57.78 3nd2 n TYR 636 Cb 0.12 -0.38 0.39 0.00 -0.31 0.00 0.00 39.34 39.16 3nd2 n TYR 636 CO 0.00 0.00 0.00 -0.07 -0.46 0.00 0.00 176.86 176.33 3nd2 h LEU 637 N 0.00 0.27 -0.01 7.72 3.38 -1.44 -0.91 115.31 124.31 3nd2 h LEU 637 Ca 0.00 -0.05 -0.23 0.00 0.09 0.00 0.00 57.88 57.69 3nd2 h LEU 637 Cb 0.56 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3nd2 h LEU 637 CO 0.00 0.39 -1.06 -0.08 0.09 0.00 0.00 178.44 177.78 3nd2 h GLU 638 N 0.28 0.12 0.03 1.13 4.81 -1.77 0.11 114.58 119.29 3nd2 h GLU 638 Ca 0.06 -0.19 -0.24 0.00 -0.13 0.00 0.00 59.36 58.86 3nd2 h GLU 638 Cb 0.32 0.07 -0.03 0.00 0.63 0.00 0.00 28.75 29.74 3nd2 h GLU 638 CO 0.02 1.06 -1.15 1.79 -0.73 0.00 0.00 179.01 180.00 3nd2 h THR 639 N 0.04 1.55 0.13 0.32 1.35 -1.81 -3.37 112.91 111.13 3nd2 h THR 639 Ca -0.06 -3.25 -0.28 0.00 -0.55 0.00 0.00 66.41 62.27 3nd2 h THR 639 Cb 1.79 2.81 0.00 0.00 -1.73 0.00 0.00 68.15 71.02 3nd2 h THR 639 CO 0.16 0.90 -1.27 0.15 -0.25 0.00 0.00 175.52 175.21 3nd2 h PHE 640 N 0.02 0.50 -0.91 4.73 3.57 -1.19 -3.38 116.94 120.27 3nd2 h PHE 640 Ca -0.08 -0.36 0.23 0.00 3.53 0.00 0.00 57.97 61.29 3nd2 h PHE 640 Cb 1.85 -0.02 -0.17 0.00 2.79 0.00 0.00 35.95 40.40 3nd2 h PHE 640 CO 0.01 1.29 -0.01 1.03 -2.23 0.00 0.00 178.31 178.41 3nd2 h SER 641 N 0.07 -0.48 -0.90 0.41 0.87 -0.93 -0.39 113.55 112.20 3nd2 h SER 641 Ca -0.14 0.25 0.11 0.00 -1.23 0.00 0.00 61.79 60.78 3nd2 h SER 641 Cb 1.98 0.45 -0.08 0.00 -0.44 0.00 0.00 62.40 64.31 3nd2 h SER 641 CO 0.20 -0.29 0.53 -0.65 -0.53 0.00 0.00 176.83 176.09 3nd2 h PRO 642 N 0.04 0.83 -0.38 2.24 0.11 -1.79 0.46 132.00 133.52 3nd2 h PRO 642 Ca 0.53 -0.05 -0.11 0.00 0.11 0.00 0.00 66.00 66.47 3nd2 h PRO 642 Cb 1.01 -0.19 -0.01 0.00 0.11 0.00 0.00 31.00 31.92 3nd2 h PRO 642 CO -0.85 0.55 -0.20 1.88 -0.21 0.00 0.00 178.00 179.18 3nd2 h TYR 643 N 0.85 0.93 -0.06 0.65 0.05 -1.35 -2.85 116.97 115.19 3nd2 h TYR 643 Ca 0.45 -0.23 -0.00 0.00 0.05 0.00 0.00 58.73 58.99 3nd2 h TYR 643 Cb 0.45 -0.21 -0.00 0.00 1.01 0.00 0.00 36.73 37.97 3nd2 h TYR 643 CO -0.04 0.99 0.03 1.25 -1.05 0.00 0.00 178.16 179.33 3nd2 h LEU 644 N 0.60 0.08 -1.25 3.88 5.85 -0.64 -1.43 115.31 122.40 3nd2 h LEU 644 Ca 0.08 -0.13 -0.08 0.00 0.84 0.00 0.00 57.88 58.59 3nd2 h LEU 644 Cb 0.75 -0.02 -0.01 0.00 0.37 0.00 0.00 40.66 41.75 3nd2 h LEU 644 CO 0.06 0.19 -0.35 -0.07 -0.34 0.00 0.00 178.44 177.92 3nd2 h LEU 645 N -0.04 0.04 -0.22 2.25 3.38 -1.00 -0.23 115.31 119.50 3nd2 h LEU 645 Ca 0.02 -0.01 -0.07 0.00 0.09 0.00 0.00 57.88 57.90 3nd2 h LEU 645 Cb 0.13 -0.01 -0.00 0.00 0.09 0.00 0.00 40.66 40.87 3nd2 h LEU 645 CO -0.00 0.39 -0.15 0.50 0.09 0.00 0.00 178.44 179.27 3nd2 h LYS 646 N 0.03 0.49 -0.33 1.13 1.63 -1.40 -3.00 116.57 115.12 3nd2 h LYS 646 Ca 0.00 -0.23 -0.06 0.00 -0.85 0.00 0.00 60.65 59.51 3nd2 h LYS 646 Cb 0.65 -0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.26 3nd2 h LYS 646 CO 0.05 0.79 -0.02 0.00 -3.45 0.00 0.00 179.45 176.82 3nd2 h ALA 647 N 0.68 0.44 -0.87 5.00 0.00 -0.92 -2.73 119.26 120.86 3nd2 h ALA 647 Ca 0.04 -0.26 0.14 0.00 0.00 0.00 0.00 54.91 54.83 3nd2 h ALA 647 Cb 0.67 -0.12 -0.09 0.00 0.00 0.00 0.00 17.79 18.26 3nd2 h ALA 647 CO 0.04 0.22 0.48 -0.07 0.00 0.00 0.00 179.25 179.93 3nd2 h LEU 648 N 0.39 0.63 -0.39 0.00 3.38 -1.14 -2.03 115.31 116.15 3nd2 h LEU 648 Ca 0.09 0.08 0.00 0.00 0.09 0.00 0.00 57.88 58.14 3nd2 h LEU 648 Cb 0.49 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.20 3nd2 h LEU 648 CO 0.02 0.29 -0.05 0.59 0.09 0.00 0.00 178.44 179.38 3nd2 n ASN 649 N -4.81 0.65 -3.60 -0.43 5.03 -1.13 -4.17 115.26 106.81 3nd2 n ASN 649 Ca 0.17 -0.99 -0.41 0.00 0.87 0.00 0.00 54.58 54.23 3nd2 n ASN 649 Cb 0.40 -0.02 -0.01 0.00 -1.02 0.00 0.00 39.78 39.13 3nd2 n ASN 649 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3nd2 n GLN 650 N -0.62 3.58 0.18 3.52 6.02 -0.76 -4.80 117.38 124.50 3nd2 n GLN 650 Ca 0.19 -2.85 0.14 0.00 -0.01 0.00 0.00 57.00 54.46 3nd2 n GLN 650 Cb 0.25 -2.95 0.62 0.00 1.02 0.00 0.00 30.24 29.18 3nd2 n GLN 650 CO 0.00 0.00 0.00 -0.39 -1.01 0.00 0.00 177.06 175.66 3nd2 h VAL 651 N 3.41 0.00 -0.60 5.09 -1.51 -1.81 -0.89 116.25 119.94 3nd2 h VAL 651 Ca 0.64 -0.20 0.00 0.00 -1.23 0.00 0.00 66.70 65.91 3nd2 h VAL 651 Cb 0.48 0.93 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 3nd2 h VAL 651 CO 1.73 0.00 0.00 -0.90 -1.23 0.00 0.00 177.57 177.17 3nd2 n ASP 652 N -2.47 5.10 -4.13 4.19 3.85 -1.24 0.10 116.55 121.95 3nd2 n ASP 652 Ca 0.00 -2.66 -0.23 0.00 -0.71 0.00 0.00 54.79 51.19 3nd2 n ASP 652 Cb 0.18 -0.62 -0.15 0.00 -1.35 0.00 0.00 41.12 39.18 3nd2 n ASP 652 CO 0.00 0.00 0.00 -0.55 -1.01 0.00 0.00 177.20 175.64 3nd2 s SER 653 N -0.92 1.81 0.08 -1.12 0.15 -0.34 -4.84 113.70 108.52 3nd2 s SER 653 Ca 0.52 -0.29 0.12 0.00 0.70 0.00 0.00 55.95 56.99 3nd2 s SER 653 Cb 0.36 -0.20 0.53 0.00 -1.71 0.00 0.00 66.02 65.00 3nd2 s SER 653 CO 0.20 0.18 1.36 -0.81 1.20 0.00 0.00 173.24 175.37 3nd2 n PRO 654 N 2.63 0.05 0.21 5.44 -0.04 -1.26 -1.88 135.00 140.15 3nd2 n PRO 654 Ca -0.15 0.42 0.06 0.00 -0.04 0.00 0.00 63.50 63.80 3nd2 n PRO 654 Cb 0.55 -1.62 0.44 0.00 -0.04 0.00 0.00 33.50 32.82 3nd2 n PRO 654 CO 0.00 0.00 0.00 -0.24 -0.04 0.00 0.00 175.50 175.22 3nd2 h VAL 655 N 0.00 0.93 -0.08 0.52 3.04 -1.89 -2.89 116.25 115.88 3nd2 h VAL 655 Ca 0.00 -1.20 -0.11 0.00 -1.01 0.00 0.00 66.70 64.38 3nd2 h VAL 655 Cb 0.14 1.71 -0.01 0.00 -2.01 0.00 0.00 31.29 31.12 3nd2 h VAL 655 CO 0.00 0.31 -0.45 0.77 -1.01 0.00 0.00 177.57 177.19 3nd2 h SER 656 N 0.00 0.19 -0.01 3.17 4.64 -1.42 0.12 113.55 120.23 3nd2 h SER 656 Ca -0.00 -0.08 -0.16 0.00 -0.47 0.00 0.00 61.79 61.07 3nd2 h SER 656 Cb 0.69 -0.05 -0.01 0.00 -0.31 0.00 0.00 62.40 62.72 3nd2 h SER 656 CO 0.04 0.62 -0.55 0.40 -0.87 0.00 0.00 176.83 176.47 3nd2 h ILE 657 N 0.15 1.32 -0.25 0.95 5.03 -1.69 -1.90 117.51 121.12 3nd2 h ILE 657 Ca 0.01 -1.79 -0.15 0.00 -0.12 0.00 0.00 64.86 62.81 3nd2 h ILE 657 Cb 0.85 1.75 -0.01 0.00 -3.03 0.00 0.00 36.82 36.39 3nd2 h ILE 657 CO 0.07 0.56 -0.45 0.74 -0.68 0.00 0.00 178.15 178.38 3nd2 h THR 658 N 0.46 1.30 -0.51 -0.27 2.02 -1.27 -2.48 112.91 112.16 3nd2 h THR 658 Ca 0.01 -1.65 -0.08 0.00 0.77 0.00 0.00 66.41 65.47 3nd2 h THR 658 Cb 1.10 1.59 -0.02 0.00 -1.74 0.00 0.00 68.15 69.09 3nd2 h THR 658 CO 0.11 0.52 0.01 0.00 0.37 0.00 0.00 175.52 176.53 3nd2 h ALA 659 N 0.99 0.68 -0.85 6.16 0.00 -0.65 -1.38 119.26 124.21 3nd2 h ALA 659 Ca 0.03 -0.28 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3nd2 h ALA 659 Cb 0.99 -0.19 -0.08 0.00 0.00 0.00 0.00 17.79 18.51 3nd2 h ALA 659 CO 0.09 0.48 0.49 0.28 0.00 0.00 0.00 179.25 180.59 3nd2 h VAL 660 N 0.75 0.88 0.00 0.00 2.07 -1.33 -0.81 116.25 117.81 3nd2 h VAL 660 Ca 0.14 -0.27 -0.00 0.00 0.82 0.00 0.00 66.70 67.39 3nd2 h VAL 660 Cb 0.50 0.02 -0.00 0.00 -1.52 0.00 0.00 31.29 30.29 3nd2 h VAL 660 CO 0.02 0.14 -0.01 1.23 0.02 0.00 0.00 177.57 178.97 3nd2 h GLY 661 N 0.79 0.00 1.15 2.17 0.00 -0.79 -1.97 103.07 104.42 3nd2 h GLY 661 Ca 0.42 0.00 -0.28 0.00 0.00 0.00 0.00 47.33 47.48 3nd2 h GLY 661 CO -0.27 0.00 -1.15 -2.75 0.00 0.00 0.00 176.54 172.37 3nd2 h PHE 662 N 0.00 0.95 -0.67 5.60 3.57 -0.52 -2.37 116.94 123.50 3nd2 h PHE 662 Ca -0.00 -0.59 0.00 0.00 3.53 0.00 0.00 57.97 60.91 3nd2 h PHE 662 Cb 0.08 -0.08 -0.03 0.00 2.79 0.00 0.00 35.95 38.71 3nd2 h PHE 662 CO 0.00 1.44 0.43 0.82 -2.23 0.00 0.00 178.31 178.77 3nd2 h ILE 663 N 0.20 1.18 -0.86 1.41 2.04 -1.11 -0.96 117.51 119.40 3nd2 h ILE 663 Ca -0.17 -0.34 0.05 0.00 1.00 0.00 0.00 64.86 65.39 3nd2 h ILE 663 Cb 1.83 0.21 -0.05 0.00 -0.74 0.00 0.00 36.82 38.07 3nd2 h ILE 663 CO 0.22 0.17 0.56 0.00 0.00 0.00 0.00 178.15 179.11 3nd2 h ALA 664 N 1.23 1.51 -0.18 1.87 0.00 -1.42 -0.71 119.26 121.55 3nd2 h ALA 664 Ca 0.24 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.04 3nd2 h ALA 664 Cb -0.08 -0.28 -0.00 0.00 0.00 0.00 0.00 17.79 17.42 3nd2 h ALA 664 CO -0.05 0.39 -0.19 -0.44 0.00 0.00 0.00 179.25 178.95 3nd2 h ASP 665 N 1.02 0.49 0.62 0.00 3.32 -0.79 -2.87 116.42 118.21 3nd2 h ASP 665 Ca 0.36 -0.48 -0.18 0.00 0.02 0.00 0.00 57.03 56.74 3nd2 h ASP 665 Cb 0.11 -0.14 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 3nd2 h ASP 665 CO -0.12 0.87 -0.83 0.16 -1.72 0.00 0.00 179.24 177.60 3nd2 h ILE 666 N 0.11 1.50 -0.63 0.35 3.07 -1.11 -1.34 117.51 119.47 3nd2 h ILE 666 Ca 0.03 -2.59 -0.06 0.00 1.55 0.00 0.00 64.86 63.79 3nd2 h ILE 666 Cb 0.74 2.42 -0.03 0.00 -0.27 0.00 0.00 36.82 39.69 3nd2 h ILE 666 CO 0.05 0.75 0.17 0.77 -1.05 0.00 0.00 178.15 178.84 3nd2 h SER 667 N 0.08 0.91 1.13 2.16 4.64 -1.21 0.18 113.55 121.45 3nd2 h SER 667 Ca -0.03 -0.17 -0.15 0.00 -0.47 0.00 0.00 61.79 60.97 3nd2 h SER 667 Cb 1.44 -0.24 -0.02 0.00 -0.31 0.00 0.00 62.40 63.27 3nd2 h SER 667 CO 0.12 0.87 -0.72 0.78 -0.87 0.00 0.00 176.83 177.01 3nd2 h ASN 668 N 0.93 0.00 0.59 4.97 -0.26 -1.49 -1.64 115.58 118.68 3nd2 h ASN 668 Ca 0.20 0.00 -0.28 0.00 -0.56 0.00 0.00 56.30 55.67 3nd2 h ASN 668 Cb 0.31 0.00 -0.05 0.00 -1.06 0.00 0.00 38.32 37.52 3nd2 h ASN 668 CO -0.00 0.72 -1.57 0.77 -1.06 0.00 0.00 177.43 176.28 3nd2 h SER 669 N 0.00 0.01 0.37 5.81 4.64 -0.88 -3.35 113.55 120.15 3nd2 h SER 669 Ca -0.01 -0.02 -0.03 0.00 -0.47 0.00 0.00 61.79 61.26 3nd2 h SER 669 Cb 1.47 -0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.56 3nd2 h SER 669 CO 0.09 1.02 -1.66 0.18 -0.87 0.00 0.00 176.83 175.60 3nd2 n LEU 670 N -3.12 0.33 0.00 5.97 4.77 0.61 -4.27 117.00 121.29 3nd2 n LEU 670 Ca -0.14 0.13 0.00 0.00 -0.03 0.00 0.00 56.01 55.97 3nd2 n LEU 670 Cb 1.03 0.01 0.00 0.00 -2.33 0.00 0.00 43.42 42.13 3nd2 n LEU 670 CO 0.45 -0.03 0.00 -1.84 -1.33 0.00 0.00 177.39 174.65 3nd2 n GLU 671 N -2.46 0.00 -0.00 3.23 0.00 -0.62 -1.27 120.64 119.53 3nd2 n GLU 671 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 57.16 57.18 3nd2 n GLU 671 Cb 0.61 0.00 -0.08 0.00 0.00 0.00 0.00 31.44 31.96 3nd2 n GLU 671 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.13 177.52 3nd2 n GLU 672 N 0.00 1.78 0.00 3.44 1.02 -1.26 -3.42 120.64 122.20 3nd2 n GLU 672 Ca 0.00 -0.05 0.10 0.00 -0.02 0.00 0.00 57.16 57.19 3nd2 n GLU 672 Cb 0.00 -1.19 0.46 0.00 -0.02 0.00 0.00 31.44 30.69 3nd2 n GLU 672 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 3nd2 n ASP 673 N -1.58 0.00 0.14 1.62 9.92 -0.39 -3.43 116.55 122.82 3nd2 n ASP 673 Ca 0.00 0.36 0.02 0.00 -0.53 0.00 0.00 54.79 54.63 3nd2 n ASP 673 Cb 0.26 -0.44 0.06 0.00 -0.64 0.00 0.00 41.12 40.36 3nd2 n ASP 673 CO 0.00 0.00 0.00 0.15 0.13 0.00 0.00 177.20 177.48 3nd2 h PHE 674 N 0.00 0.00 -1.31 1.24 3.57 -1.67 -3.34 116.94 115.43 3nd2 h PHE 674 Ca 0.00 0.00 0.38 0.00 3.53 0.00 0.00 57.97 61.88 3nd2 h PHE 674 Cb 0.31 0.00 -0.07 0.00 2.79 0.00 0.00 35.95 38.98 3nd2 h PHE 674 CO 0.00 0.56 0.91 0.00 -2.23 0.00 0.00 178.31 177.55 3nd2 h ARG 675 N 0.00 0.07 0.00 1.11 3.08 -1.68 -1.81 114.38 115.15 3nd2 h ARG 675 Ca -0.01 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.04 3nd2 h ARG 675 Cb 1.36 -0.02 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3nd2 h ARG 675 CO 0.07 0.05 -0.31 0.07 -1.07 0.00 0.00 179.97 178.78 3nd2 h ARG 676 N 0.08 0.00 -0.00 0.04 0.11 -1.84 -3.10 114.38 109.67 3nd2 h ARG 676 Ca 0.66 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.74 3nd2 h ARG 676 Cb 2.42 0.00 0.00 0.00 1.11 0.00 0.00 29.97 33.50 3nd2 h ARG 676 CO -0.10 0.00 -0.87 0.66 0.10 0.00 0.00 179.97 179.76 3nd2 n TYR 677 N -2.26 0.00 -0.11 4.08 4.01 -0.71 -4.74 117.16 117.43 3nd2 n TYR 677 Ca 0.04 0.00 -0.08 0.00 -0.16 0.00 0.00 57.90 57.70 3nd2 n TYR 677 Cb 0.44 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.47 3nd2 n TYR 677 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3nd2 h SER 678 N 0.02 0.40 -0.35 7.72 4.64 -1.39 -1.05 113.55 123.53 3nd2 h SER 678 Ca 0.00 -0.01 -0.01 0.00 -0.47 0.00 0.00 61.79 61.30 3nd2 h SER 678 Cb 0.44 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.42 3nd2 h SER 678 CO 0.00 0.29 0.18 -0.78 -0.87 0.00 0.00 176.83 175.65 3nd2 h ASP 679 N 0.47 0.44 -0.28 4.97 3.58 -1.85 0.39 116.42 124.13 3nd2 h ASP 679 Ca 0.13 -0.10 -0.06 0.00 0.42 0.00 0.00 57.03 57.42 3nd2 h ASP 679 Cb -0.04 -0.11 -0.02 0.00 1.72 0.00 0.00 39.33 40.88 3nd2 h ASP 679 CO -0.04 0.42 -0.01 0.00 -2.88 0.00 0.00 179.24 176.73 3nd2 h ALA 680 N 1.04 1.27 -0.26 -0.78 0.00 -1.84 -2.15 119.26 116.54 3nd2 h ALA 680 Ca 0.12 -0.23 -0.13 0.00 0.00 0.00 0.00 54.91 54.67 3nd2 h ALA 680 Cb 0.08 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 3nd2 h ALA 680 CO -0.02 0.49 -0.39 0.52 0.00 0.00 0.00 179.25 179.85 3nd2 h MET 681 N 0.59 0.60 -0.64 0.00 2.86 -0.83 -2.86 114.93 114.65 3nd2 h MET 681 Ca 0.12 -0.30 -0.03 0.00 -2.06 0.00 0.00 59.70 57.43 3nd2 h MET 681 Cb 0.38 0.00 -0.03 0.00 0.06 0.00 0.00 31.60 32.02 3nd2 h MET 681 CO 0.01 0.90 0.30 0.52 1.06 0.00 0.00 176.91 179.70 3nd2 h MET 682 N 0.50 0.93 -0.29 1.72 2.07 -0.52 -1.63 114.93 117.70 3nd2 h MET 682 Ca 0.04 -0.14 -0.02 0.00 -2.07 0.00 0.00 59.70 57.51 3nd2 h MET 682 Cb 0.90 -0.17 -0.01 0.00 -1.87 0.00 0.00 31.60 30.46 3nd2 h MET 682 CO 0.08 0.75 0.10 -0.91 1.07 0.00 0.00 176.91 178.00 3nd2 h ASN 683 N 0.89 0.41 -0.60 1.22 2.35 -1.40 -2.10 115.58 116.35 3nd2 h ASN 683 Ca 0.22 -0.19 0.01 0.00 -0.55 0.00 0.00 56.30 55.79 3nd2 h ASN 683 Cb 0.13 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 38.36 3nd2 h ASN 683 CO -0.03 0.48 0.39 0.58 -1.65 0.00 0.00 177.43 177.21 3nd2 h VAL 684 N 0.31 1.16 -0.24 2.81 2.07 -1.43 -2.84 116.25 118.09 3nd2 h VAL 684 Ca 0.09 -0.29 -0.10 0.00 0.82 0.00 0.00 66.70 67.23 3nd2 h VAL 684 Cb 0.21 0.28 -0.01 0.00 -1.52 0.00 0.00 31.29 30.25 3nd2 h VAL 684 CO -0.01 0.15 -0.28 -0.07 0.02 0.00 0.00 177.57 177.39 3nd2 h LEU 685 N 0.81 0.47 -1.05 2.57 3.38 -1.24 -2.28 115.31 117.97 3nd2 h LEU 685 Ca 0.22 -0.16 -0.08 0.00 0.09 0.00 0.00 57.88 57.94 3nd2 h LEU 685 Cb -0.09 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.52 3nd2 h LEU 685 CO -0.05 0.73 -0.20 0.00 0.09 0.00 0.00 178.44 179.02 3nd2 h ALA 686 N 1.30 1.21 0.00 1.53 0.00 -1.24 -2.76 119.26 119.30 3nd2 h ALA 686 Ca 0.06 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.49 3nd2 h ALA 686 Cb 0.70 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 3nd2 h ALA 686 CO 0.05 0.51 -0.83 1.96 0.00 0.00 0.00 179.25 180.95 3nd2 h GLN 687 N 0.39 0.00 0.00 0.00 4.20 -1.27 -2.76 115.11 115.67 3nd2 h GLN 687 Ca 0.07 0.00 -0.12 0.00 0.06 0.00 0.00 58.65 58.66 3nd2 h GLN 687 Cb 0.58 0.00 -0.02 0.00 0.30 0.00 0.00 27.48 28.34 3nd2 h GLN 687 CO 0.04 0.83 -0.56 0.52 -0.67 0.00 0.00 178.83 178.99 3nd2 h MET 688 N 0.00 0.00 0.00 1.46 2.86 -1.25 -2.50 114.93 115.50 3nd2 h MET 688 Ca -0.01 0.00 -0.01 0.00 -2.06 0.00 0.00 59.70 57.62 3nd2 h MET 688 Cb 1.48 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.14 3nd2 h MET 688 CO 0.11 0.56 -0.96 0.97 1.06 0.00 0.00 176.91 178.64 3nd2 h ILE 689 N 0.00 0.04 0.00 -1.22 2.10 -1.55 -3.33 117.51 113.55 3nd2 h ILE 689 Ca -0.01 -1.08 -0.11 0.00 1.08 0.00 0.00 64.86 64.75 3nd2 h ILE 689 Cb 0.99 1.57 -0.02 0.00 -1.09 0.00 0.00 36.82 38.28 3nd2 h ILE 689 CO 0.07 0.02 -0.51 0.77 -1.08 0.00 0.00 178.15 177.43 3nd2 h SER 690 N 0.00 0.00 -2.68 2.19 4.64 -1.41 -3.45 113.55 112.84 3nd2 h SER 690 Ca -0.01 0.00 -0.55 0.00 -0.47 0.00 0.00 61.79 60.76 3nd2 h SER 690 Cb 1.04 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.12 3nd2 h SER 690 CO 0.00 0.51 1.04 0.21 -0.87 0.00 0.00 176.83 177.72 3nd2 s ASN 691 N -6.46 6.73 0.47 4.97 3.84 -0.95 -4.93 114.94 118.60 3nd2 s ASN 691 Ca 0.03 2.14 0.20 0.00 0.21 0.00 0.00 52.86 55.44 3nd2 s ASN 691 Cb 0.08 -2.54 1.16 0.00 -0.55 0.00 0.00 41.25 39.40 3nd2 s ASN 691 CO 0.74 -0.88 2.00 -0.65 -2.79 0.00 0.00 177.10 175.52 3nd2 h PRO 692 N 9.18 0.00 0.00 0.43 0.11 -1.91 -3.10 132.00 136.71 3nd2 h PRO 692 Ca -0.37 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.74 3nd2 h PRO 692 Cb 1.16 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.27 3nd2 h PRO 692 CO 0.95 0.18 0.00 0.09 -0.21 0.00 0.00 178.00 179.02 3nd2 n ASN 693 N -3.98 0.00 -4.73 -2.05 4.13 -1.26 -4.87 115.26 102.50 3nd2 n ASN 693 Ca -0.02 -1.55 -0.41 0.00 1.68 0.00 0.00 54.58 54.28 3nd2 n ASN 693 Cb 0.27 0.00 -0.04 0.00 -1.54 0.00 0.00 39.78 38.47 3nd2 n ASN 693 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3nd2 s ALA 694 N -2.00 3.35 0.37 5.41 0.00 -1.17 -3.72 121.76 124.01 3nd2 s ALA 694 Ca 0.02 0.78 -0.28 0.00 0.00 0.00 0.00 51.96 52.48 3nd2 s ALA 694 Cb 0.01 -3.35 -0.11 0.00 0.00 0.00 0.00 23.12 19.67 3nd2 s ALA 694 CO 0.02 -0.21 1.50 0.50 0.00 0.00 0.00 175.76 177.57 3nd2 s ARG 695 N -0.17 4.10 0.35 0.00 3.52 0.28 -4.90 118.95 122.13 3nd2 s ARG 695 Ca 0.50 2.59 0.04 0.00 -0.13 0.00 0.00 55.73 58.73 3nd2 s ARG 695 Cb -0.29 -2.97 0.66 0.00 -1.56 0.00 0.00 34.95 30.80 3nd2 s ARG 695 CO 0.34 -0.55 1.95 0.07 -0.81 0.00 0.00 175.30 176.30 3nd2 h ARG 696 N 3.14 0.63 0.00 5.12 0.11 -1.95 -2.53 114.38 118.90 3nd2 h ARG 696 Ca -0.51 -0.08 0.00 0.00 0.10 0.00 0.00 59.98 59.49 3nd2 h ARG 696 Cb 1.24 -0.12 0.00 0.00 1.11 0.00 0.00 29.97 32.20 3nd2 h ARG 696 CO 0.65 0.52 0.00 0.39 0.10 0.00 0.00 179.97 181.63 3nd2 n GLU 697 N -4.37 0.01 0.00 0.08 4.71 -1.26 -2.66 120.64 117.15 3nd2 n GLU 697 Ca 0.03 0.40 -0.08 0.00 -0.01 0.00 0.00 57.16 57.50 3nd2 n GLU 697 Cb 0.14 -1.50 -0.13 0.00 -1.01 0.00 0.00 31.44 28.94 3nd2 n GLU 697 CO 0.00 0.00 0.00 1.25 0.09 0.00 0.00 177.13 178.47 3nd2 h LEU 698 N 0.00 0.01 0.36 -4.62 5.85 -1.82 -3.21 115.31 111.88 3nd2 h LEU 698 Ca 0.00 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.70 3nd2 h LEU 698 Cb 0.07 -0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.09 3nd2 h LEU 698 CO 0.00 1.01 -0.27 0.50 -0.34 0.00 0.00 178.44 179.34 3nd2 h LYS 699 N 0.00 -0.60 -0.78 1.25 3.64 -1.67 0.26 116.57 118.66 3nd2 h LYS 699 Ca -0.21 0.04 0.13 0.00 -1.27 0.00 0.00 60.65 59.34 3nd2 h LYS 699 Cb 1.95 0.14 -0.09 0.00 -0.41 0.00 0.00 32.23 33.82 3nd2 h LYS 699 CO 0.09 -0.40 0.38 -1.35 -2.27 0.00 0.00 179.45 175.90 3nd2 h PRO 700 N -0.62 0.56 -0.40 1.90 0.11 -1.75 -0.99 132.00 130.81 3nd2 h PRO 700 Ca -0.03 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.03 3nd2 h PRO 700 Cb 0.54 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.50 3nd2 h PRO 700 CO 0.00 0.37 0.20 0.00 -0.21 0.00 0.00 178.00 178.36 3nd2 h ALA 701 N 1.51 0.51 -0.08 -0.75 0.00 -1.45 -2.01 119.26 116.99 3nd2 h ALA 701 Ca 0.41 -0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 3nd2 h ALA 701 Cb 0.55 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.18 3nd2 h ALA 701 CO -0.34 0.07 -0.00 0.28 0.00 0.00 0.00 179.25 179.25 3nd2 h VAL 702 N 0.51 1.26 -0.84 0.00 2.07 -0.28 -2.31 116.25 116.66 3nd2 h VAL 702 Ca 0.14 -0.83 0.10 0.00 0.82 0.00 0.00 66.70 66.93 3nd2 h VAL 702 Cb 0.10 1.65 -0.08 0.00 -1.52 0.00 0.00 31.29 31.45 3nd2 h VAL 702 CO -0.02 0.23 0.48 -0.07 0.02 0.00 0.00 177.57 178.21 3nd2 h LEU 703 N -0.14 0.67 -0.58 2.57 3.38 -1.17 -2.58 115.31 117.45 3nd2 h LEU 703 Ca 0.02 0.05 -0.08 0.00 0.09 0.00 0.00 57.88 57.97 3nd2 h LEU 703 Cb 0.37 -0.08 -0.02 0.00 0.09 0.00 0.00 40.66 41.02 3nd2 h LEU 703 CO 0.01 0.37 0.05 0.28 0.09 0.00 0.00 178.44 179.24 3nd2 h SER 704 N 0.78 0.97 0.88 -0.43 0.02 -1.28 -2.98 113.55 111.51 3nd2 h SER 704 Ca 0.41 -0.28 0.00 0.00 -0.84 0.00 0.00 61.79 61.08 3nd2 h SER 704 Cb 0.40 -0.26 0.00 0.00 0.14 0.00 0.00 62.40 62.68 3nd2 h SER 704 CO -0.26 1.01 0.00 1.62 -1.14 0.00 0.00 176.83 178.06 3nd2 h VAL 705 N 0.89 0.00 -0.55 2.27 3.04 -1.03 -2.04 116.25 118.83 3nd2 h VAL 705 Ca 0.17 -0.40 -0.06 0.00 -1.01 0.00 0.00 66.70 65.40 3nd2 h VAL 705 Cb 0.48 1.30 -0.02 0.00 -2.01 0.00 0.00 31.29 31.04 3nd2 h VAL 705 CO 0.02 0.00 0.08 -0.26 -1.01 0.00 0.00 177.57 176.40 3nd2 h PHE 706 N 0.00 0.91 -0.67 3.17 0.04 -1.32 -1.09 116.94 117.98 3nd2 h PHE 706 Ca 0.00 -0.11 -0.08 0.00 2.80 0.00 0.00 57.97 60.58 3nd2 h PHE 706 Cb 0.44 -0.26 -0.03 0.00 2.20 0.00 0.00 35.95 38.30 3nd2 h PHE 706 CO 0.00 0.79 0.10 0.78 -0.60 0.00 0.00 178.31 179.38 3nd2 h GLY 707 N 0.99 1.20 1.02 -1.45 0.00 -1.44 -1.35 103.07 102.04 3nd2 h GLY 707 Ca 0.17 -0.81 -0.07 0.00 0.00 0.00 0.00 47.33 46.62 3nd2 h GLY 707 CO 0.01 0.75 0.05 -0.55 0.00 0.00 0.00 176.54 176.80 3nd2 h ASP 708 N 1.04 0.88 -0.04 0.19 3.32 -1.34 -0.17 116.42 120.30 3nd2 h ASP 708 Ca 0.20 -0.28 -0.00 0.00 0.02 0.00 0.00 57.03 56.97 3nd2 h ASP 708 Cb 0.45 -0.24 -0.00 0.00 0.22 0.00 0.00 39.33 39.77 3nd2 h ASP 708 CO 0.01 0.94 0.01 0.40 -1.72 0.00 0.00 179.24 178.89 3nd2 h ILE 709 N 0.79 1.19 -0.40 0.35 2.04 -1.18 -2.54 117.51 117.77 3nd2 h ILE 709 Ca 0.16 -0.57 -0.00 0.00 1.00 0.00 0.00 64.86 65.45 3nd2 h ILE 709 Cb 0.46 1.50 -0.02 0.00 -0.74 0.00 0.00 36.82 38.02 3nd2 h ILE 709 CO 0.02 0.15 0.24 0.00 0.00 0.00 0.00 178.15 178.56 3nd2 h ALA 710 N 0.79 0.51 -0.96 1.87 0.00 -1.19 0.11 119.26 120.38 3nd2 h ALA 710 Ca 0.01 -0.06 0.17 0.00 0.00 0.00 0.00 54.91 55.03 3nd2 h ALA 710 Cb 0.24 -0.16 -0.10 0.00 0.00 0.00 0.00 17.79 17.77 3nd2 h ALA 710 CO 0.00 0.00 0.56 1.03 0.00 0.00 0.00 179.25 180.84 3nd2 h SER 711 N 0.52 0.73 0.43 0.00 0.87 -0.91 -1.35 113.55 113.84 3nd2 h SER 711 Ca 0.14 0.09 -0.10 0.00 -1.23 0.00 0.00 61.79 60.69 3nd2 h SER 711 Cb 0.00 -0.04 -0.02 0.00 -0.44 0.00 0.00 62.40 61.90 3nd2 h SER 711 CO -0.03 0.29 -1.66 0.59 -0.53 0.00 0.00 176.83 175.50 3nd2 n ASN 712 N -4.77 0.43 -0.00 6.23 3.02 -0.82 -4.22 115.26 115.13 3nd2 n ASN 712 Ca 0.21 0.18 0.10 0.00 -0.03 0.00 0.00 54.58 55.04 3nd2 n ASN 712 Cb 0.50 1.00 -0.12 0.00 -0.61 0.00 0.00 39.78 40.54 3nd2 n ASN 712 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 3nd2 n ILE 713 N -2.60 0.00 0.00 2.41 -5.35 0.32 -4.25 119.36 109.90 3nd2 n ILE 713 Ca -0.09 -0.10 0.00 0.00 -0.27 0.00 0.00 62.75 62.29 3nd2 n ILE 713 Cb 0.72 0.79 0.00 0.00 -1.74 0.00 0.00 39.64 39.41 3nd2 n ILE 713 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 3nd2 n GLY 714 N 1.45 3.46 0.24 3.28 0.00 -0.52 -2.90 105.19 110.21 3nd2 n GLY 714 Ca 0.02 -0.10 0.16 0.00 0.00 0.00 0.00 46.02 46.11 3nd2 n GLY 714 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3nd2 h ALA 715 N -0.85 1.00 0.00 4.61 0.00 -1.88 -2.13 119.26 120.01 3nd2 h ALA 715 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3nd2 h ALA 715 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 3nd2 h ALA 715 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 179.25 178.81 3nd2 h ASP 716 N 0.00 0.00 1.78 0.00 3.32 -1.91 -2.53 116.42 117.08 3nd2 h ASP 716 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3nd2 h ASP 716 Cb 0.41 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.96 3nd2 h ASP 716 CO 0.00 0.00 0.00 0.15 -1.72 0.00 0.00 179.24 177.67 3nd2 h PHE 717 N 0.00 0.00 -0.67 4.55 3.57 -1.59 -3.38 116.94 119.41 3nd2 h PHE 717 Ca 0.00 0.00 0.12 0.00 3.53 0.00 0.00 57.97 61.62 3nd2 h PHE 717 Cb 0.16 0.00 -0.09 0.00 2.79 0.00 0.00 35.95 38.81 3nd2 h PHE 717 CO 0.00 0.00 0.22 0.82 -2.23 0.00 0.00 178.31 177.12 3nd2 h ILE 718 N 0.00 0.67 -0.02 1.41 2.04 -1.65 0.13 117.51 120.10 3nd2 h ILE 718 Ca 0.00 -0.12 0.01 0.00 1.00 0.00 0.00 64.86 65.74 3nd2 h ILE 718 Cb 0.89 0.27 -0.00 0.00 -0.74 0.00 0.00 36.82 37.24 3nd2 h ILE 718 CO 0.00 0.07 0.09 -0.65 0.00 0.00 0.00 178.15 177.65 3nd2 h PRO 719 N 0.36 0.00 -0.01 2.37 0.11 -1.84 -1.40 132.00 131.60 3nd2 h PRO 719 Ca 0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.47 3nd2 h PRO 719 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3nd2 h PRO 719 CO -0.39 0.00 -0.50 0.66 -0.21 0.00 0.00 178.00 177.56 3nd2 n TYR 720 N -3.20 0.00 -0.19 0.65 4.01 0.43 -4.61 117.16 114.24 3nd2 n TYR 720 Ca -0.02 0.00 -0.07 0.00 -0.16 0.00 0.00 57.90 57.65 3nd2 n TYR 720 Cb 0.16 -0.06 0.03 0.00 -0.31 0.00 0.00 39.34 39.15 3nd2 n TYR 720 CO 0.00 0.00 0.00 1.25 -0.46 0.00 0.00 176.86 177.65 3nd2 h LEU 721 N 1.41 0.65 -0.68 7.72 5.85 -0.81 -2.33 115.31 127.13 3nd2 h LEU 721 Ca 0.00 -0.03 -0.13 0.00 0.84 0.00 0.00 57.88 58.56 3nd2 h LEU 721 Cb 0.61 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.47 3nd2 h LEU 721 CO 0.00 0.49 -0.37 -1.13 -0.34 0.00 0.00 178.44 177.09 3nd2 h ASN 722 N 0.76 0.63 -0.20 1.25 -0.00 -1.82 -0.75 115.58 115.45 3nd2 h ASN 722 Ca 0.20 -0.27 -0.03 0.00 -0.00 0.00 0.00 56.30 56.21 3nd2 h ASN 722 Cb -0.06 -0.18 -0.01 0.00 -0.00 0.00 0.00 38.32 38.07 3nd2 h ASN 722 CO -0.04 0.94 0.03 0.44 -0.00 0.00 0.00 177.43 178.80 3nd2 h ASP 723 N 0.50 0.33 -0.55 1.15 3.32 -1.82 -2.40 116.42 116.93 3nd2 h ASP 723 Ca 0.05 -0.27 -0.09 0.00 0.02 0.00 0.00 57.03 56.74 3nd2 h ASP 723 Cb 0.87 -0.09 -0.02 0.00 0.22 0.00 0.00 39.33 40.32 3nd2 h ASP 723 CO 0.08 0.51 0.01 0.40 -1.72 0.00 0.00 179.24 178.52 3nd2 h ILE 724 N 0.13 1.26 0.00 0.35 1.08 -1.38 -2.72 117.51 116.24 3nd2 h ILE 724 Ca 0.06 -1.10 -0.04 0.00 -0.39 0.00 0.00 64.86 63.38 3nd2 h ILE 724 Cb 0.33 0.88 -0.01 0.00 -3.07 0.00 0.00 36.82 34.95 3nd2 h ILE 724 CO 0.01 0.39 -0.21 0.24 -0.69 0.00 0.00 178.15 177.89 3nd2 h MET 725 N 0.85 0.00 -0.12 2.37 2.86 -1.13 -1.91 114.93 117.86 3nd2 h MET 725 Ca 0.16 0.00 -0.19 0.00 -2.06 0.00 0.00 59.70 57.61 3nd2 h MET 725 Cb 0.53 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.19 3nd2 h MET 725 CO 0.03 0.21 -0.71 0.00 1.06 0.00 0.00 176.91 177.49 3nd2 h ALA 726 N 1.79 0.52 -0.19 6.32 0.00 -1.22 -1.82 119.26 124.66 3nd2 h ALA 726 Ca -0.00 -0.59 -0.10 0.00 0.00 0.00 0.00 54.91 54.22 3nd2 h ALA 726 Cb 0.42 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.14 3nd2 h ALA 726 CO 0.03 0.73 -0.33 -0.07 0.00 0.00 0.00 179.25 179.61 3nd2 h LEU 727 N 0.39 0.40 -0.11 0.00 3.38 -1.14 -2.24 115.31 115.99 3nd2 h LEU 727 Ca -0.03 -0.15 -0.15 0.00 0.09 0.00 0.00 57.88 57.64 3nd2 h LEU 727 Cb 1.30 -0.11 0.01 0.00 0.09 0.00 0.00 40.66 41.95 3nd2 h LEU 727 CO 0.13 0.71 -0.52 0.00 0.09 0.00 0.00 178.44 178.85 3nd2 h VAL 729 N 0.14 0.56 -0.81 0.00 2.07 -1.33 0.13 116.25 117.01 3nd2 h VAL 729 Ca -0.03 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.57 3nd2 h VAL 729 Cb 1.16 0.56 -0.05 0.00 -1.52 0.00 0.00 31.29 31.43 3nd2 h VAL 729 CO 0.11 0.00 0.53 0.00 0.02 0.00 0.00 177.57 178.23 3nd2 h ALA 730 N -0.02 1.67 -0.04 1.67 0.00 -1.51 -1.84 119.26 119.20 3nd2 h ALA 730 Ca -0.06 -0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 3nd2 h ALA 730 Cb 0.46 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.05 3nd2 h ALA 730 CO 0.09 0.18 -0.01 0.00 0.00 0.00 0.00 179.25 179.51 3nd2 h ALA 731 N 1.58 0.06 0.00 0.00 0.00 -1.06 -2.80 119.26 117.03 3nd2 h ALA 731 Ca 0.36 -0.19 -0.01 0.00 0.00 0.00 0.00 54.91 55.07 3nd2 h ALA 731 Cb 0.34 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.11 3nd2 h ALA 731 CO -0.14 -0.25 -0.07 -0.56 0.00 0.00 0.00 179.25 178.24 3nd2 h GLN 732 N -0.26 0.00 -0.01 0.00 3.07 -0.37 -2.23 115.11 115.31 3nd2 h GLN 732 Ca 0.01 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.75 3nd2 h GLN 732 Cb 0.38 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.94 3nd2 h GLN 732 CO 0.00 0.07 -0.32 0.09 0.09 0.00 0.00 178.83 178.76 3nd2 n ASN 733 N -3.40 1.36 -4.69 0.06 3.02 -0.72 -4.90 115.26 105.99 3nd2 n ASN 733 Ca -0.02 -1.11 -0.42 0.00 -0.03 0.00 0.00 54.58 53.00 3nd2 n ASN 733 Cb 0.22 0.24 -0.03 0.00 -0.61 0.00 0.00 39.78 39.60 3nd2 n ASN 733 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3nd2 s THR 734 N -2.48 4.59 0.65 3.41 2.01 -0.84 -5.04 115.64 117.94 3nd2 s THR 734 Ca 0.23 1.88 -0.07 0.00 0.31 0.00 0.00 61.69 64.04 3nd2 s THR 734 Cb 0.19 -4.21 0.03 0.00 0.01 0.00 0.00 72.50 68.52 3nd2 s THR 734 CO 0.53 0.00 0.97 -0.54 -0.69 0.00 0.00 174.62 174.89 3nd2 s LYS 735 N 2.09 2.60 0.21 4.92 -0.14 -1.26 -5.02 119.74 123.14 3nd2 s LYS 735 Ca 0.51 -0.07 -0.32 0.00 -1.36 0.00 0.00 55.97 54.73 3nd2 s LYS 735 Cb -0.21 -2.21 -0.14 0.00 -1.68 0.00 0.00 37.83 33.60 3nd2 s LYS 735 CO 0.19 -0.96 1.42 -2.30 -0.76 0.00 0.00 175.35 172.94 3nd2 n PRO 736 N -2.77 1.94 0.17 -1.68 -0.02 -1.26 -4.86 135.00 126.52 3nd2 n PRO 736 Ca 0.06 0.69 0.12 0.00 -2.02 0.00 0.00 63.50 62.36 3nd2 n PRO 736 Cb 0.59 -2.36 0.59 0.00 -0.02 0.00 0.00 33.50 32.30 3nd2 n PRO 736 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 3nd2 h GLU 737 N 4.50 0.00 0.00 -0.52 4.11 -1.96 -3.45 114.58 117.26 3nd2 h GLU 737 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.98 3nd2 h GLU 737 Cb 1.28 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.53 3nd2 h GLU 737 CO 0.78 0.00 0.01 0.27 0.07 0.00 0.00 179.01 180.14 3nd2 n ASN 738 N -2.33 -0.08 -0.57 3.06 2.04 -1.26 -5.02 115.26 111.10 3nd2 n ASN 738 Ca -0.00 -1.05 0.08 0.00 -0.44 0.00 0.00 54.58 53.17 3nd2 n ASN 738 Cb 0.12 0.13 0.27 0.00 -2.53 0.00 0.00 39.78 37.77 3nd2 n ASN 738 CO 0.00 0.00 0.00 0.61 -0.44 0.00 0.00 177.26 177.43 3nd2 n GLY 739 N -0.02 0.39 3.80 4.83 0.00 -1.26 -4.65 105.19 108.27 3nd2 n GLY 739 Ca -0.00 -0.38 -0.30 0.00 0.00 0.00 0.00 46.02 45.34 3nd2 n GLY 739 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3nd2 s THR 740 N -1.68 3.02 0.03 2.61 -1.32 -1.26 -4.72 115.64 112.33 3nd2 s THR 740 Ca 0.27 0.33 0.21 0.00 -1.21 0.00 0.00 61.69 61.30 3nd2 s THR 740 Cb 0.15 -3.07 0.19 0.00 -1.51 0.00 0.00 72.50 68.25 3nd2 s THR 740 CO 0.21 -0.43 1.71 0.25 -2.21 0.00 0.00 174.62 174.14 3nd2 h LEU 741 N -1.12 0.00 -0.07 9.08 5.85 -2.00 -2.97 115.31 124.08 3nd2 h LEU 741 Ca -0.47 0.00 -0.25 0.00 0.84 0.00 0.00 57.88 58.00 3nd2 h LEU 741 Cb 1.27 0.00 0.02 0.00 0.37 0.00 0.00 40.66 42.32 3nd2 h LEU 741 CO 0.59 0.30 -0.95 -0.33 -0.34 0.00 0.00 178.44 177.70 3nd2 h GLU 742 N 0.00 0.70 -0.07 1.25 5.08 -1.97 -2.37 114.58 117.20 3nd2 h GLU 742 Ca -0.00 -0.69 -0.12 0.00 -1.00 0.00 0.00 59.36 57.55 3nd2 h GLU 742 Cb 0.94 0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.36 3nd2 h GLU 742 CO 0.04 1.28 -0.48 0.00 -1.00 0.00 0.00 179.01 178.85 3nd2 h ALA 743 N 0.49 1.06 0.02 3.43 0.00 -1.87 -2.36 119.26 120.03 3nd2 h ALA 743 Ca -0.10 -0.46 -0.00 0.00 0.00 0.00 0.00 54.91 54.35 3nd2 h ALA 743 Cb 1.60 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3nd2 h ALA 743 CO 0.19 0.63 -0.01 1.25 0.00 0.00 0.00 179.25 181.31 3nd2 h LEU 744 N 0.14 -0.02 -1.96 0.00 5.85 -1.55 -2.06 115.31 115.71 3nd2 h LEU 744 Ca 0.01 -0.43 -0.02 0.00 0.84 0.00 0.00 57.88 58.28 3nd2 h LEU 744 Cb 0.91 0.01 -0.00 0.00 0.37 0.00 0.00 40.66 41.94 3nd2 h LEU 744 CO 0.07 0.42 -0.09 0.44 -0.34 0.00 0.00 178.44 178.94 3nd2 h ASP 745 N -0.46 0.00 -0.18 1.25 5.19 -1.41 -1.32 116.42 119.49 3nd2 h ASP 745 Ca -0.00 0.00 -0.16 0.00 -0.62 0.00 0.00 57.03 56.25 3nd2 h ASP 745 Cb 0.45 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.96 3nd2 h ASP 745 CO 0.00 0.09 -0.51 0.22 -3.12 0.00 0.00 179.24 175.93 3nd2 h TYR 746 N 0.00 0.86 -0.58 4.55 3.20 -1.41 -2.25 116.97 121.33 3nd2 h TYR 746 Ca -0.00 -0.34 0.07 0.00 3.14 0.00 0.00 58.73 61.59 3nd2 h TYR 746 Cb 0.19 -0.15 -0.06 0.00 1.54 0.00 0.00 36.73 38.26 3nd2 h TYR 746 CO 0.00 1.13 0.27 0.37 -1.64 0.00 0.00 178.16 178.29 3nd2 h GLN 747 N 0.35 0.49 -0.65 1.82 4.15 -0.54 -0.93 115.11 119.81 3nd2 h GLN 747 Ca -0.01 -0.03 0.03 0.00 0.77 0.00 0.00 58.65 59.40 3nd2 h GLN 747 Cb 1.13 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.67 3nd2 h GLN 747 CO 0.11 0.33 0.40 0.82 -1.93 0.00 0.00 178.83 178.56 3nd2 h ILE 748 N 0.51 1.09 -0.32 2.39 1.08 -1.30 -1.08 117.51 119.89 3nd2 h ILE 748 Ca 0.27 -0.27 0.01 0.00 -0.39 0.00 0.00 64.86 64.48 3nd2 h ILE 748 Cb 0.24 0.22 -0.02 0.00 -3.07 0.00 0.00 36.82 34.19 3nd2 h ILE 748 CO -0.22 0.15 0.20 0.11 -0.69 0.00 0.00 178.15 177.70 3nd2 h LYS 749 N 0.80 0.40 -0.21 2.37 1.79 -0.76 0.27 116.57 121.22 3nd2 h LYS 749 Ca 0.26 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 3nd2 h LYS 749 Cb 0.01 -0.09 -0.05 0.00 -1.58 0.00 0.00 32.23 30.52 3nd2 h LYS 749 CO -0.10 0.27 -0.08 0.28 -1.08 0.00 0.00 179.45 178.74 3nd2 h VAL 750 N 0.41 0.72 -0.57 0.50 2.07 -0.94 -1.43 116.25 117.02 3nd2 h VAL 750 Ca 0.12 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.63 3nd2 h VAL 750 Cb -0.03 0.72 -0.03 0.00 -1.52 0.00 0.00 31.29 30.43 3nd2 h VAL 750 CO -0.04 0.00 0.33 -0.07 0.02 0.00 0.00 177.57 177.81 3nd2 h LEU 751 N -0.04 0.68 -1.14 2.57 3.38 -0.90 -0.19 115.31 119.66 3nd2 h LEU 751 Ca 0.11 -0.04 -0.09 0.00 0.09 0.00 0.00 57.88 57.95 3nd2 h LEU 751 Cb 0.21 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.78 3nd2 h LEU 751 CO -0.24 0.53 -0.37 -0.33 0.09 0.00 0.00 178.44 178.12 3nd2 h GLU 752 N 0.78 0.10 -0.11 1.13 5.08 -0.57 -1.93 114.58 119.06 3nd2 h GLU 752 Ca 0.20 -0.04 -0.14 0.00 -1.00 0.00 0.00 59.36 58.38 3nd2 h GLU 752 Cb -0.01 -0.00 0.01 0.00 0.50 0.00 0.00 28.75 29.24 3nd2 h GLU 752 CO -0.04 0.46 -0.47 0.00 -1.00 0.00 0.00 179.01 177.97 3nd2 h ALA 753 N 1.54 0.20 -0.96 3.43 0.00 -0.14 -2.56 119.26 120.77 3nd2 h ALA 753 Ca 0.01 -0.49 0.08 0.00 0.00 0.00 0.00 54.91 54.50 3nd2 h ALA 753 Cb 0.70 -0.01 -0.07 0.00 0.00 0.00 0.00 17.79 18.41 3nd2 h ALA 753 CO 0.05 0.36 0.61 0.28 0.00 0.00 0.00 179.25 180.55 3nd2 h VAL 754 N 0.10 1.03 -0.14 0.00 2.07 -0.95 0.51 116.25 118.87 3nd2 h VAL 754 Ca -0.03 -0.37 0.02 0.00 0.82 0.00 0.00 66.70 67.15 3nd2 h VAL 754 Cb 1.11 -0.13 -0.02 0.00 -1.52 0.00 0.00 31.29 30.73 3nd2 h VAL 754 CO 0.10 0.19 -0.01 0.25 0.02 0.00 0.00 177.57 178.12 3nd2 h LEU 755 N 1.06 -0.07 -1.04 2.57 5.85 -1.34 -0.62 115.31 121.71 3nd2 h LEU 755 Ca 0.43 0.03 0.05 0.00 0.84 0.00 0.00 57.88 59.24 3nd2 h LEU 755 Cb 0.26 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 41.29 3nd2 h LEU 755 CO -0.20 -0.02 0.64 0.44 -0.34 0.00 0.00 178.44 178.96 3nd2 h ASP 756 N 0.03 1.04 -0.16 1.25 5.19 -0.92 -0.39 116.42 122.46 3nd2 h ASP 756 Ca 0.07 -0.00 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 3nd2 h ASP 756 Cb 0.08 -0.23 -0.01 0.00 0.18 0.00 0.00 39.33 39.36 3nd2 h ASP 756 CO -0.12 0.69 0.05 0.00 -3.12 0.00 0.00 179.24 176.74 3nd2 h ALA 757 N 1.45 0.21 -0.65 3.45 0.00 -0.60 -2.30 119.26 120.81 3nd2 h ALA 757 Ca 0.41 -0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.16 3nd2 h ALA 757 Cb 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 3nd2 h ALA 757 CO -0.14 -0.18 0.28 1.88 0.00 0.00 0.00 179.25 181.09 3nd2 h TYR 758 N 0.09 0.97 -0.35 0.00 0.05 -0.74 -1.11 116.97 115.87 3nd2 h TYR 758 Ca 0.05 -0.06 0.05 0.00 0.05 0.00 0.00 58.73 58.82 3nd2 h TYR 758 Cb 0.21 -0.29 -0.05 0.00 1.01 0.00 0.00 36.73 37.61 3nd2 h TYR 758 CO -0.00 0.75 0.06 0.28 -1.05 0.00 0.00 178.16 178.20 3nd2 h VAL 759 N 0.90 0.82 -0.14 -2.88 2.07 -1.09 -0.63 116.25 115.30 3nd2 h VAL 759 Ca 0.22 -0.06 -0.02 0.00 0.82 0.00 0.00 66.70 67.66 3nd2 h VAL 759 Cb 0.17 0.62 -0.01 0.00 -1.52 0.00 0.00 31.29 30.56 3nd2 h VAL 759 CO -0.02 0.03 0.03 1.23 0.02 0.00 0.00 177.57 178.86 3nd2 h GLY 760 N 0.18 0.25 0.93 2.17 0.00 -1.16 -2.40 103.07 103.04 3nd2 h GLY 760 Ca 0.17 -0.16 0.01 0.00 0.00 0.00 0.00 47.33 47.34 3nd2 h GLY 760 CO -0.22 0.15 0.07 -2.22 0.00 0.00 0.00 176.54 174.32 3nd2 h ILE 761 N 0.02 0.99 -0.57 2.60 2.04 -1.11 0.87 117.51 122.35 3nd2 h ILE 761 Ca 0.04 -0.05 0.05 0.00 1.00 0.00 0.00 64.86 65.90 3nd2 h ILE 761 Cb 0.28 0.84 -0.05 0.00 -0.74 0.00 0.00 36.82 37.15 3nd2 h ILE 761 CO 0.00 0.03 0.30 0.58 0.00 0.00 0.00 178.15 179.06 3nd2 h VAL 762 N 0.15 0.96 -0.13 1.67 2.07 -1.16 -0.22 116.25 119.59 3nd2 h VAL 762 Ca 0.06 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 67.37 3nd2 h VAL 762 Cb 0.01 0.33 -0.01 0.00 -1.52 0.00 0.00 31.29 30.11 3nd2 h VAL 762 CO -0.04 0.11 0.04 0.00 0.02 0.00 0.00 177.57 177.70 3nd2 h ALA 763 N 1.30 0.17 -0.13 1.67 0.00 -1.02 0.12 119.26 121.37 3nd2 h ALA 763 Ca 0.25 -0.12 -0.04 0.00 0.00 0.00 0.00 54.91 55.01 3nd2 h ALA 763 Cb 0.15 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3nd2 h ALA 763 CO -0.17 -0.23 -0.08 0.78 0.00 0.00 0.00 179.25 179.55 3nd2 h GLY 764 N 0.03 0.20 -1.79 0.00 0.00 -0.69 -3.10 103.07 97.73 3nd2 h GLY 764 Ca 0.04 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3nd2 h GLY 764 CO -0.00 0.10 0.00 1.04 0.00 0.00 0.00 176.54 177.68 3nd2 n LEU 765 N -4.34 3.33 0.19 3.11 4.77 -0.11 -3.81 117.00 120.14 3nd2 n LEU 765 Ca -0.01 -2.03 0.16 0.00 -0.03 0.00 0.00 56.01 54.10 3nd2 n LEU 765 Cb 0.22 -0.33 0.80 0.00 -2.33 0.00 0.00 43.42 41.78 3nd2 n LEU 765 CO 0.37 0.82 1.14 1.12 -1.33 0.00 0.00 177.39 179.51 3nd2 h HIS 766 N 2.80 0.00 -0.47 -1.77 2.07 -0.67 0.63 115.15 117.74 3nd2 h HIS 766 Ca 0.00 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.52 3nd2 h HIS 766 Cb 0.85 0.00 0.00 0.00 2.57 0.00 0.00 27.41 30.83 3nd2 h HIS 766 CO 0.33 0.00 0.00 -0.25 -3.07 0.00 0.00 177.93 174.94 3nd2 n ASP 767 N -3.95 2.60 -3.04 3.10 9.92 -1.26 -4.47 116.55 119.44 3nd2 n ASP 767 Ca 0.02 -2.03 -0.16 0.00 -0.53 0.00 0.00 54.79 52.09 3nd2 n ASP 767 Cb 0.32 -0.33 -0.02 0.00 -0.64 0.00 0.00 41.12 40.46 3nd2 n ASP 767 CO 0.00 0.00 0.00 0.29 0.13 0.00 0.00 177.20 177.62 3nd2 n LYS 768 N 0.87 1.13 0.10 -1.24 4.76 0.22 -4.98 118.16 119.01 3nd2 n LYS 768 Ca 0.16 -3.42 0.05 0.00 -2.87 0.00 0.00 58.31 52.23 3nd2 n LYS 768 Cb 0.42 -1.62 0.50 0.00 -1.84 0.00 0.00 35.03 32.49 3nd2 n LYS 768 CO 0.00 0.00 0.00 -1.00 -1.37 0.00 0.00 177.40 175.03 3nd2 h PRO 769 N 2.99 0.33 -0.85 1.97 0.13 -1.78 -2.75 132.00 132.04 3nd2 h PRO 769 Ca 0.06 -0.02 0.07 0.00 -0.87 0.00 0.00 66.00 65.23 3nd2 h PRO 769 Cb 1.00 -0.07 -0.06 0.00 0.13 0.00 0.00 31.00 32.00 3nd2 h PRO 769 CO 0.52 0.23 0.55 1.05 -0.23 0.00 0.00 178.00 180.12 3nd2 h GLU 770 N 0.34 0.89 -0.36 0.86 9.09 -1.93 0.35 114.58 123.83 3nd2 h GLU 770 Ca 0.09 -0.05 -0.08 0.00 0.05 0.00 0.00 59.36 59.37 3nd2 h GLU 770 Cb -0.02 -0.20 -0.02 0.00 -1.65 0.00 0.00 28.75 26.87 3nd2 h GLU 770 CO -0.02 0.59 -0.11 0.00 0.05 0.00 0.00 179.01 179.52 3nd2 h ALA 771 N 1.55 1.14 0.00 1.06 0.00 -1.88 -3.19 119.26 117.94 3nd2 h ALA 771 Ca 0.37 -0.29 -0.10 0.00 0.00 0.00 0.00 54.91 54.89 3nd2 h ALA 771 Cb 0.26 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3nd2 h ALA 771 CO -0.14 0.54 -0.94 1.25 0.00 0.00 0.00 179.25 179.96 3nd2 h LEU 772 N 0.57 0.00 -0.79 0.00 5.85 -1.33 -3.40 115.31 116.20 3nd2 h LEU 772 Ca 0.10 0.00 0.09 0.00 0.84 0.00 0.00 57.88 58.92 3nd2 h LEU 772 Cb 0.53 0.00 -0.12 0.00 0.37 0.00 0.00 40.66 41.44 3nd2 h LEU 772 CO 0.03 0.38 -0.51 0.15 -0.34 0.00 0.00 178.44 178.15 3nd2 h PHE 773 N 0.00 -1.56 0.00 1.25 3.57 -0.96 -0.71 116.94 118.52 3nd2 h PHE 773 Ca -0.07 0.11 0.00 0.00 3.53 0.00 0.00 57.97 61.54 3nd2 h PHE 773 Cb 1.35 0.79 0.00 0.00 2.79 0.00 0.00 35.95 40.88 3nd2 h PHE 773 CO 0.00 -0.41 0.10 -1.35 -2.23 0.00 0.00 178.31 174.42 3nd2 h PRO 774 N -0.12 0.00 -0.02 6.41 0.11 -1.79 -1.44 132.00 135.14 3nd2 h PRO 774 Ca 0.19 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.30 3nd2 h PRO 774 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3nd2 h PRO 774 CO -0.83 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 177.45 3nd2 n TYR 775 N -2.48 0.00 -0.33 0.65 4.01 -0.28 -4.56 117.16 114.17 3nd2 n TYR 775 Ca -0.02 0.00 -0.03 0.00 -0.16 0.00 0.00 57.90 57.69 3nd2 n TYR 775 Cb 0.14 0.00 0.09 0.00 -0.31 0.00 0.00 39.34 39.26 3nd2 n TYR 775 CO 0.00 0.00 0.00 0.28 -0.46 0.00 0.00 176.86 176.68 3nd2 h VAL 776 N 2.82 1.22 -0.43 -0.72 2.07 -1.15 -1.65 116.25 118.40 3nd2 h VAL 776 Ca 0.00 -0.41 -0.05 0.00 0.82 0.00 0.00 66.70 67.06 3nd2 h VAL 776 Cb 0.68 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.36 3nd2 h VAL 776 CO 0.00 0.22 0.07 1.23 0.02 0.00 0.00 177.57 179.11 3nd2 h GLY 777 N 1.19 0.71 1.22 2.17 0.00 -1.80 -1.65 103.07 104.91 3nd2 h GLY 777 Ca 0.33 -0.40 -0.16 0.00 0.00 0.00 0.00 47.33 47.09 3nd2 h GLY 777 CO -0.08 0.38 -0.45 -0.84 0.00 0.00 0.00 176.54 175.55 3nd2 h THR 778 N 0.64 1.28 -0.14 4.70 2.02 -1.69 -1.75 112.91 117.96 3nd2 h THR 778 Ca 0.14 -1.63 -0.08 0.00 0.77 0.00 0.00 66.41 65.61 3nd2 h THR 778 Cb 0.29 1.51 -0.01 0.00 -1.74 0.00 0.00 68.15 68.20 3nd2 h THR 778 CO 0.00 0.54 -0.27 0.40 0.37 0.00 0.00 175.52 176.56 3nd2 h ILE 779 N 0.67 1.25 0.00 3.11 2.04 -1.02 -2.47 117.51 121.08 3nd2 h ILE 779 Ca 0.04 -1.16 -0.14 0.00 1.00 0.00 0.00 64.86 64.59 3nd2 h ILE 779 Cb 1.03 1.43 -0.02 0.00 -0.74 0.00 0.00 36.82 38.53 3nd2 h ILE 779 CO 0.10 0.35 -0.68 -0.26 0.00 0.00 0.00 178.15 177.67 3nd2 h PHE 780 N 0.24 0.00 -0.70 1.37 -1.00 -1.09 -1.49 116.94 114.27 3nd2 h PHE 780 Ca 0.04 0.00 -0.02 0.00 2.81 0.00 0.00 57.97 60.80 3nd2 h PHE 780 Cb 0.60 0.00 -0.03 0.00 3.61 0.00 0.00 35.95 40.13 3nd2 h PHE 780 CO 0.01 0.68 0.36 1.96 -1.61 0.00 0.00 178.31 179.70 3nd2 h GLN 781 N 0.00 0.99 -0.35 1.51 4.20 -1.07 -1.13 115.11 119.27 3nd2 h GLN 781 Ca -0.01 -0.13 -0.11 0.00 0.06 0.00 0.00 58.65 58.46 3nd2 h GLN 781 Cb 1.22 -0.19 -0.01 0.00 0.30 0.00 0.00 27.48 28.81 3nd2 h GLN 781 CO 0.09 0.76 -0.21 0.35 -0.67 0.00 0.00 178.83 179.15 3nd2 h PHE 782 N 0.97 0.88 -0.82 2.96 3.57 -1.28 -2.60 116.94 120.62 3nd2 h PHE 782 Ca 0.24 -0.23 0.03 0.00 3.53 0.00 0.00 57.97 61.54 3nd2 h PHE 782 Cb 0.08 -0.20 -0.04 0.00 2.79 0.00 0.00 35.95 38.58 3nd2 h PHE 782 CO 0.00 0.97 0.54 0.82 -2.23 0.00 0.00 178.31 178.41 3nd2 h ILE 783 N 0.54 1.16 0.00 1.41 2.04 -1.18 -1.90 117.51 119.58 3nd2 h ILE 783 Ca 0.07 -0.36 -0.05 0.00 1.00 0.00 0.00 64.86 65.53 3nd2 h ILE 783 Cb 0.76 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 3nd2 h ILE 783 CO 0.06 0.19 -0.22 0.00 0.00 0.00 0.00 178.15 178.18 3nd2 h ALA 784 N 1.51 1.38 -0.17 1.87 0.00 -0.99 -1.39 119.26 121.47 3nd2 h ALA 784 Ca 0.32 -0.20 -0.16 0.00 0.00 0.00 0.00 54.91 54.86 3nd2 h ALA 784 Cb -0.02 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3nd2 h ALA 784 CO -0.08 0.27 -0.57 1.96 0.00 0.00 0.00 179.25 180.82 3nd2 h GLN 785 N 0.00 0.55 -0.43 0.00 4.20 -0.98 -2.48 115.11 115.97 3nd2 h GLN 785 Ca -0.00 -0.35 -0.05 0.00 0.06 0.00 0.00 58.65 58.30 3nd2 h GLN 785 Cb 0.46 0.05 -0.02 0.00 0.30 0.00 0.00 27.48 28.27 3nd2 h GLN 785 CO 0.03 0.97 0.07 0.28 -0.67 0.00 0.00 178.83 179.50 3nd2 h VAL 786 N 0.41 1.24 0.00 -0.54 2.07 -0.90 -1.03 116.25 117.52 3nd2 h VAL 786 Ca 0.00 -0.89 -0.05 0.00 0.82 0.00 0.00 66.70 66.58 3nd2 h VAL 786 Cb 1.12 0.99 -0.01 0.00 -1.52 0.00 0.00 31.29 31.87 3nd2 h VAL 786 CO 0.11 0.31 -0.24 0.00 0.02 0.00 0.00 177.57 177.76 3nd2 h ALA 787 N 0.94 1.11 0.11 1.67 0.00 -1.29 -3.00 119.26 118.79 3nd2 h ALA 787 Ca 0.13 -0.22 -0.37 0.00 0.00 0.00 0.00 54.91 54.45 3nd2 h ALA 787 Cb 0.38 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3nd2 h ALA 787 CO 0.01 0.30 -2.05 -1.91 0.00 0.00 0.00 179.25 175.61 3nd2 n GLU 788 N -3.54 0.75 -3.12 0.00 4.07 -0.94 -4.91 120.64 112.95 3nd2 n GLU 788 Ca -0.01 0.25 -0.40 0.00 -0.06 0.00 0.00 57.16 56.94 3nd2 n GLU 788 Cb 0.40 -1.69 -0.06 0.00 -0.06 0.00 0.00 31.44 30.02 3nd2 n GLU 788 CO 0.00 0.00 0.00 0.34 -0.06 0.00 0.00 177.13 177.41 3nd2 s ASP 789 N -6.97 6.65 0.30 4.31 -1.08 -0.40 -4.97 116.67 114.51 3nd2 s ASP 789 Ca -0.23 0.79 0.02 0.00 -0.52 0.00 0.00 52.55 52.60 3nd2 s ASP 789 Cb 0.07 -2.34 0.47 0.00 -1.46 0.00 0.00 42.92 39.65 3nd2 s ASP 789 CO 0.75 -0.30 1.80 -0.65 0.52 0.00 0.00 175.17 177.30 3nd2 h PRO 790 N 7.60 0.61 0.00 4.34 0.11 -1.89 -1.96 132.00 140.80 3nd2 h PRO 790 Ca -0.30 -0.16 0.00 0.00 0.11 0.00 0.00 66.00 65.65 3nd2 h PRO 790 Cb 1.14 -0.07 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3nd2 h PRO 790 CO 0.77 0.67 0.00 1.04 -0.21 0.00 0.00 178.00 180.27 3nd2 n GLN 791 N -4.22 0.15 -0.04 1.05 6.02 -1.26 -2.75 117.38 116.33 3nd2 n GLN 791 Ca 0.01 0.19 -0.05 0.00 -0.01 0.00 0.00 57.00 57.14 3nd2 n GLN 791 Cb 0.30 -1.50 -0.02 0.00 1.02 0.00 0.00 30.24 30.04 3nd2 n GLN 791 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 177.06 177.33 3nd2 n LEU 792 N -1.33 1.27 -0.24 1.08 4.77 -0.78 -4.72 117.00 117.06 3nd2 n LEU 792 Ca 0.06 0.21 -0.02 0.00 -0.03 0.00 0.00 56.01 56.22 3nd2 n LEU 792 Cb 0.11 -0.58 0.17 0.00 -2.33 0.00 0.00 43.42 40.79 3nd2 n LEU 792 CO 0.10 -0.42 1.14 0.10 -1.33 0.00 0.00 177.39 176.98 3nd2 h TYR 793 N -0.56 1.04 0.00 -1.77 -0.00 -1.29 -2.44 116.97 111.94 3nd2 h TYR 793 Ca 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 58.73 58.70 3nd2 h TYR 793 Cb 0.56 -0.33 0.00 0.00 0.00 0.00 0.00 36.73 36.96 3nd2 h TYR 793 CO -0.24 0.74 0.00 -1.13 -0.00 0.00 0.00 178.16 177.53 3nd2 n SER 794 N -4.34 0.57 -4.66 0.10 3.41 -1.11 -4.31 113.62 103.27 3nd2 n SER 794 Ca 0.07 0.69 -0.42 0.00 -0.26 0.00 0.00 58.87 58.95 3nd2 n SER 794 Cb 0.12 -0.79 -0.03 0.00 -0.26 0.00 0.00 64.21 63.25 3nd2 n SER 794 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3nd2 s GLU 795 N -3.38 4.28 0.14 4.33 0.41 -0.92 -4.97 118.70 118.59 3nd2 s GLU 795 Ca 0.02 1.25 -0.27 0.00 -0.41 0.00 0.00 54.97 55.56 3nd2 s GLU 795 Cb 0.08 -3.62 -0.02 0.00 -1.78 0.00 0.00 34.13 28.79 3nd2 s GLU 795 CO 0.29 -0.52 1.60 0.22 -0.49 0.00 0.00 175.26 176.36 3nd2 h ASP 796 N 7.42 -1.14 -0.36 -0.19 -0.00 -1.87 -1.01 116.42 119.27 3nd2 h ASP 796 Ca -0.23 0.16 -0.07 0.00 -0.00 0.00 0.00 57.03 56.90 3nd2 h ASP 796 Cb 1.09 0.48 -0.02 0.00 -0.00 0.00 0.00 39.33 40.88 3nd2 h ASP 796 CO 0.92 -0.38 0.01 0.00 -0.00 0.00 0.00 179.24 179.79 3nd2 h ALA 797 N 0.35 1.17 -0.51 -0.78 0.00 -1.94 -0.63 119.26 116.93 3nd2 h ALA 797 Ca 0.10 -0.25 -0.10 0.00 0.00 0.00 0.00 54.91 54.66 3nd2 h ALA 797 Cb 0.58 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 3nd2 h ALA 797 CO -0.40 0.54 -0.10 1.15 0.00 0.00 0.00 179.25 180.44 3nd2 h THR 798 N 0.68 1.26 -0.07 0.00 2.02 -1.69 -1.70 112.91 113.41 3nd2 h THR 798 Ca 0.14 -1.22 -0.22 0.00 0.77 0.00 0.00 66.41 65.88 3nd2 h THR 798 Cb 0.41 0.97 0.01 0.00 -1.74 0.00 0.00 68.15 67.81 3nd2 h THR 798 CO 0.02 0.43 -0.80 0.28 0.37 0.00 0.00 175.52 175.82 3nd2 h SER 799 N 0.84 0.83 -0.49 4.18 0.02 -0.93 -1.47 113.55 116.54 3nd2 h SER 799 Ca 0.14 -0.68 0.03 0.00 -0.84 0.00 0.00 61.79 60.44 3nd2 h SER 799 Cb 0.63 -0.25 -0.04 0.00 0.14 0.00 0.00 62.40 62.88 3nd2 h SER 799 CO 0.04 1.39 0.26 -0.09 -1.14 0.00 0.00 176.83 177.30 3nd2 h ARG 800 N 0.34 0.50 -0.26 3.45 2.43 -1.11 -1.56 114.38 118.17 3nd2 h ARG 800 Ca -0.08 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 59.03 3nd2 h ARG 800 Cb 1.45 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.88 3nd2 h ARG 800 CO 0.16 0.33 0.02 0.00 -1.51 0.00 0.00 179.97 178.98 3nd2 h ALA 801 N 1.24 0.35 -0.37 2.80 0.00 -1.33 0.07 119.26 122.02 3nd2 h ALA 801 Ca 0.21 -0.20 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3nd2 h ALA 801 Cb 0.08 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.76 3nd2 h ALA 801 CO -0.13 0.06 0.10 0.00 0.00 0.00 0.00 179.25 179.28 3nd2 h ALA 802 N 0.84 0.49 0.00 0.00 0.00 -1.14 -1.24 119.26 118.22 3nd2 h ALA 802 Ca 0.08 -0.18 -0.12 0.00 0.00 0.00 0.00 54.91 54.69 3nd2 h ALA 802 Cb 0.37 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 3nd2 h ALA 802 CO 0.01 0.15 -0.58 -0.24 0.00 0.00 0.00 179.25 178.59 3nd2 h VAL 803 N 0.46 1.24 -0.70 0.00 3.04 -1.34 -2.24 116.25 116.71 3nd2 h VAL 803 Ca 0.12 -2.12 -0.01 0.00 -1.01 0.00 0.00 66.70 63.68 3nd2 h VAL 803 Cb 0.29 2.20 -0.03 0.00 -2.01 0.00 0.00 31.29 31.74 3nd2 h VAL 803 CO -0.00 0.57 0.41 1.23 -1.01 0.00 0.00 177.57 178.77 3nd2 h GLY 804 N 2.26 1.02 0.95 3.17 0.00 -0.68 -2.45 103.07 107.34 3nd2 h GLY 804 Ca -0.01 -0.43 -0.10 0.00 0.00 0.00 0.00 47.33 46.80 3nd2 h GLY 804 CO 0.08 0.42 -0.18 1.41 0.00 0.00 0.00 176.54 178.26 3nd2 h LEU 805 N 0.97 0.71 -0.35 3.11 3.38 -0.83 -0.90 115.31 121.40 3nd2 h LEU 805 Ca 0.25 -0.42 0.08 0.00 0.09 0.00 0.00 57.88 57.88 3nd2 h LEU 805 Cb -0.01 -0.20 -0.08 0.00 0.09 0.00 0.00 40.66 40.46 3nd2 h LEU 805 CO -0.04 0.98 -0.28 0.40 0.09 0.00 0.00 178.44 179.58 3nd2 h ILE 806 N 0.44 0.30 -0.05 1.22 2.04 -1.25 -1.15 117.51 119.07 3nd2 h ILE 806 Ca 0.07 0.00 -0.22 0.00 1.00 0.00 0.00 64.86 65.70 3nd2 h ILE 806 Cb 0.72 0.30 0.01 0.00 -0.74 0.00 0.00 36.82 37.11 3nd2 h ILE 806 CO 0.05 0.00 -0.88 1.23 0.00 0.00 0.00 178.15 178.55 3nd2 h GLY 807 N -0.23 0.60 0.98 5.37 0.00 -1.42 -2.61 103.07 105.76 3nd2 h GLY 807 Ca 0.17 -0.95 -0.09 0.00 0.00 0.00 0.00 47.33 46.45 3nd2 h GLY 807 CO -0.49 0.85 -0.11 -0.55 0.00 0.00 0.00 176.54 176.24 3nd2 h ASP 808 N 0.33 0.78 -0.94 0.19 3.32 -1.11 -2.26 116.42 116.72 3nd2 h ASP 808 Ca -0.07 -0.37 -0.01 0.00 0.02 0.00 0.00 57.03 56.60 3nd2 h ASP 808 Cb 1.50 -0.21 -0.05 0.00 0.22 0.00 0.00 39.33 40.79 3nd2 h ASP 808 CO 0.16 0.97 0.57 0.40 -1.72 0.00 0.00 179.24 179.62 3nd2 h ILE 809 N 0.58 1.26 -0.14 0.35 2.04 -1.26 -2.02 117.51 118.32 3nd2 h ILE 809 Ca 0.10 -0.56 0.04 0.00 1.00 0.00 0.00 64.86 65.43 3nd2 h ILE 809 Cb 0.64 -0.07 -0.04 0.00 -0.74 0.00 0.00 36.82 36.61 3nd2 h ILE 809 CO 0.04 0.27 -0.13 0.00 0.00 0.00 0.00 178.15 178.33 3nd2 h ALA 810 N 1.31 -0.03 0.00 1.87 0.00 -1.33 -2.39 119.26 118.69 3nd2 h ALA 810 Ca 0.34 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 55.29 3nd2 h ALA 810 Cb -0.05 0.27 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 3nd2 h ALA 810 CO -0.06 -0.58 -0.06 0.00 0.00 0.00 0.00 179.25 178.55 3nd2 h ALA 811 N 0.93 1.66 0.00 0.00 0.00 -1.19 -2.20 119.26 118.46 3nd2 h ALA 811 Ca 0.09 -0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.91 3nd2 h ALA 811 Cb 0.29 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.06 3nd2 h ALA 811 CO -0.23 0.08 -0.16 0.52 0.00 0.00 0.00 179.25 179.46 3nd2 h MET 812 N 0.00 0.00 -2.26 0.00 2.07 -0.87 -3.38 114.93 110.49 3nd2 h MET 812 Ca -0.00 0.00 -0.59 0.00 -2.07 0.00 0.00 59.70 57.04 3nd2 h MET 812 Cb 0.13 0.00 -0.40 0.00 -1.87 0.00 0.00 31.60 29.46 3nd2 h MET 812 CO 0.01 0.16 -0.84 1.19 1.07 0.00 0.00 176.91 178.50 3nd2 n PHE 813 N -3.21 1.47 1.59 -0.22 3.72 -0.83 -4.76 117.46 115.22 3nd2 n PHE 813 Ca 0.02 -3.84 0.14 0.00 -0.05 0.00 0.00 57.45 53.72 3nd2 n PHE 813 Cb 0.49 -0.38 0.78 0.00 -0.94 0.00 0.00 39.48 39.43 3nd2 n PHE 813 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3nd2 n PRO 814 N 1.48 0.71 0.00 -1.08 -0.04 -1.25 -3.68 135.00 131.14 3nd2 n PRO 814 Ca 0.25 0.01 0.15 0.00 -0.04 0.00 0.00 63.50 63.87 3nd2 n PRO 814 Cb 0.46 -1.50 0.71 0.00 -0.04 0.00 0.00 33.50 33.12 3nd2 n PRO 814 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 3nd2 n ASP 815 N -1.09 0.35 -0.03 3.54 5.68 -1.26 -4.92 116.55 118.82 3nd2 n ASP 815 Ca 0.18 -0.64 -0.00 0.00 -0.50 0.00 0.00 54.79 53.83 3nd2 n ASP 815 Cb 0.13 -0.10 -0.00 0.00 -1.14 0.00 0.00 41.12 40.01 3nd2 n ASP 815 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 3nd2 n GLY 816 N 1.22 0.47 0.00 6.12 0.00 -1.24 -4.92 105.19 106.83 3nd2 n GLY 816 Ca 0.17 -0.35 0.12 0.00 0.00 0.00 0.00 46.02 45.95 3nd2 n GLY 816 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3nd2 n SER 817 N 0.58 0.00 -0.38 1.61 3.41 -1.26 -3.43 113.62 114.14 3nd2 n SER 817 Ca -0.00 0.43 0.03 0.00 -0.26 0.00 0.00 58.87 59.06 3nd2 n SER 817 Cb 0.03 -0.47 0.04 0.00 -0.26 0.00 0.00 64.21 63.54 3nd2 n SER 817 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3nd2 n ILE 818 N -1.47 0.50 0.24 -1.33 -5.35 -1.26 -4.89 119.36 105.79 3nd2 n ILE 818 Ca 0.07 -0.60 0.12 0.00 -0.27 0.00 0.00 62.75 62.07 3nd2 n ILE 818 Cb 0.28 0.31 0.56 0.00 -1.74 0.00 0.00 39.64 39.04 3nd2 n ILE 818 CO 0.00 0.00 0.00 0.07 -1.76 0.00 0.00 176.55 174.86 3nd2 h LYS 819 N 0.00 0.00 0.00 6.28 2.10 -1.86 -2.89 116.57 120.20 3nd2 h LYS 819 Ca 0.00 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.63 3nd2 h LYS 819 Cb 1.29 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.62 3nd2 h LYS 819 CO 0.00 0.17 -0.09 -0.56 -2.00 0.00 0.00 179.45 176.97 3nd2 h GLN 820 N 0.00 0.00 0.00 0.07 -0.00 -1.90 -0.97 115.11 112.31 3nd2 h GLN 820 Ca -0.00 0.00 -0.03 0.00 -0.00 0.00 0.00 58.65 58.62 3nd2 h GLN 820 Cb 0.62 0.00 -0.00 0.00 -0.00 0.00 0.00 27.48 28.10 3nd2 h GLN 820 CO 0.02 0.09 -0.14 0.74 -0.00 0.00 0.00 178.83 179.54 3nd2 h PHE 821 N 0.00 0.00 -0.01 0.06 0.04 -1.92 -3.29 116.94 111.82 3nd2 h PHE 821 Ca -0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3nd2 h PHE 821 Cb 0.34 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.49 3nd2 h PHE 821 CO 0.00 0.14 -0.69 0.66 -0.60 0.00 0.00 178.31 177.82 3nd2 n TYR 822 N -3.30 0.00 -0.56 -0.55 4.02 -0.37 -3.83 117.16 112.57 3nd2 n TYR 822 Ca 0.00 0.00 0.10 0.00 -0.01 0.00 0.00 57.90 57.99 3nd2 n TYR 822 Cb 0.37 -0.05 0.35 0.00 -0.02 0.00 0.00 39.34 40.00 3nd2 n TYR 822 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3nd2 n GLY 823 N 1.46 2.68 3.73 2.72 0.00 -1.20 -4.76 105.19 109.82 3nd2 n GLY 823 Ca 0.07 -0.85 -0.41 0.00 0.00 0.00 0.00 46.02 44.83 3nd2 n GLY 823 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 3nd2 s GLN 824 N -1.62 4.62 0.17 1.61 -0.21 -1.25 -4.98 119.66 117.99 3nd2 s GLN 824 Ca 0.51 1.30 -0.16 0.00 0.02 0.00 0.00 55.36 57.03 3nd2 s GLN 824 Cb 0.31 -3.37 0.10 0.00 1.00 0.00 0.00 33.01 31.05 3nd2 s GLN 824 CO 0.28 0.24 1.69 -0.44 -2.12 0.00 0.00 175.29 174.93 3nd2 h ASP 825 N 5.63 -0.19 -0.94 5.90 3.32 -1.94 -1.84 116.42 126.36 3nd2 h ASP 825 Ca -0.43 0.10 0.10 0.00 0.02 0.00 0.00 57.03 56.81 3nd2 h ASP 825 Cb 1.21 0.17 -0.07 0.00 0.22 0.00 0.00 39.33 40.86 3nd2 h ASP 825 CO 0.71 -0.06 0.60 4.11 -1.72 0.00 0.00 179.24 182.89 3nd2 h TRP 826 N 0.09 1.03 0.09 4.55 5.08 -1.98 0.25 115.95 125.07 3nd2 h TRP 826 Ca 0.19 0.03 -0.00 0.00 1.08 0.00 0.00 58.89 60.19 3nd2 h TRP 826 Cb 0.28 -0.33 0.00 0.00 -3.00 0.00 0.00 29.16 26.10 3nd2 h TRP 826 CO -0.28 0.46 -0.04 0.28 -1.28 0.00 0.00 178.44 177.58 3nd2 h VAL 827 N 0.95 1.14 -0.32 0.12 2.07 -1.78 -0.85 116.25 117.58 3nd2 h VAL 827 Ca 0.44 -0.99 0.07 0.00 0.82 0.00 0.00 66.70 67.04 3nd2 h VAL 827 Cb 0.41 1.76 -0.06 0.00 -1.52 0.00 0.00 31.29 31.88 3nd2 h VAL 827 CO -0.20 0.24 -0.10 0.40 0.02 0.00 0.00 177.57 177.93 3nd2 h ILE 828 N -0.59 0.64 -0.55 4.57 2.04 -1.03 -2.04 117.51 120.55 3nd2 h ILE 828 Ca -0.01 0.00 -0.10 0.00 1.00 0.00 0.00 64.86 65.75 3nd2 h ILE 828 Cb 0.48 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3nd2 h ILE 828 CO 0.02 0.00 -0.05 0.44 0.00 0.00 0.00 178.15 178.56 3nd2 h ASP 829 N -0.03 0.96 -0.20 1.72 3.32 -0.52 -1.77 116.42 119.91 3nd2 h ASP 829 Ca 0.16 -0.29 -0.08 0.00 0.02 0.00 0.00 57.03 56.84 3nd2 h ASP 829 Cb 0.27 -0.26 -0.02 0.00 0.22 0.00 0.00 39.33 39.54 3nd2 h ASP 829 CO -0.35 1.05 -0.13 0.22 -1.72 0.00 0.00 179.24 178.31 3nd2 h TYR 830 N 0.89 0.65 -0.31 4.55 3.20 -1.07 -1.15 116.97 123.72 3nd2 h TYR 830 Ca 0.15 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3nd2 h TYR 830 Cb 0.59 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 38.68 3nd2 h TYR 830 CO 0.04 0.70 0.15 0.82 -1.64 0.00 0.00 178.16 178.22 3nd2 h ILE 831 N 0.54 1.16 -0.61 1.81 2.04 -1.15 -2.48 117.51 118.82 3nd2 h ILE 831 Ca 0.10 -0.46 0.01 0.00 1.00 0.00 0.00 64.86 65.51 3nd2 h ILE 831 Cb 0.54 0.89 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3nd2 h ILE 831 CO 0.03 0.16 0.41 0.11 0.00 0.00 0.00 178.15 178.86 3nd2 h LYS 832 N 0.36 0.80 -0.26 2.37 6.56 -0.96 -1.58 116.57 123.86 3nd2 h LYS 832 Ca 0.11 -0.05 -0.14 0.00 -1.06 0.00 0.00 60.65 59.50 3nd2 h LYS 832 Cb 0.13 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.60 3nd2 h LYS 832 CO -0.01 0.53 -0.43 0.00 -2.06 0.00 0.00 179.45 177.47 3nd2 h ARG 833 N 0.83 0.64 -0.04 3.15 3.08 -1.10 -1.79 114.38 119.15 3nd2 h ARG 833 Ca 0.23 -0.34 -0.18 0.00 0.07 0.00 0.00 59.98 59.75 3nd2 h ARG 833 Cb -0.09 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 3nd2 h ARG 833 CO -0.05 0.95 -0.76 1.15 -1.07 0.00 0.00 179.97 180.19 3nd2 h THR 834 N 0.52 1.43 -0.06 2.04 2.02 -1.17 0.43 112.91 118.11 3nd2 h THR 834 Ca 0.04 -2.30 -0.01 0.00 0.77 0.00 0.00 66.41 64.91 3nd2 h THR 834 Cb 0.96 2.24 -0.00 0.00 -1.74 0.00 0.00 68.15 69.61 3nd2 h THR 834 CO 0.09 0.68 0.02 0.03 0.37 0.00 0.00 175.52 176.70 3nd2 h ARG 835 N 0.17 0.10 0.10 6.66 2.47 -1.23 -3.37 114.38 119.29 3nd2 h ARG 835 Ca -0.03 -0.02 -0.01 0.00 -1.26 0.00 0.00 59.98 58.66 3nd2 h ARG 835 Cb 1.34 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 29.64 3nd2 h ARG 835 CO 0.12 0.29 -0.05 0.77 0.56 0.00 0.00 179.97 181.66 3nd2 h SER 836 N -0.10 -0.12 0.00 7.04 0.02 -1.30 -3.46 113.55 115.62 3nd2 h SER 836 Ca 0.02 -0.25 0.00 0.00 -0.84 0.00 0.00 61.79 60.72 3nd2 h SER 836 Cb 0.23 0.03 0.00 0.00 0.14 0.00 0.00 62.40 62.80 3nd2 h SER 836 CO -0.00 0.47 0.00 0.61 -1.14 0.00 0.00 176.83 176.77 3nd2 n GLY 837 N 1.27 0.00 0.45 -3.77 0.00 0.15 -4.75 105.19 98.54 3nd2 n GLY 837 Ca -0.05 0.00 0.26 0.00 0.00 0.00 0.00 46.02 46.24 3nd2 n GLY 837 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 3nd2 h GLN 838 N 0.00 0.18 -0.54 1.61 1.08 -1.92 0.41 115.11 115.92 3nd2 h GLN 838 Ca 0.00 -0.01 -0.01 0.00 -1.45 0.00 0.00 58.65 57.18 3nd2 h GLN 838 Cb 0.00 -0.04 -0.00 0.00 -0.05 0.00 0.00 27.48 27.38 3nd2 h GLN 838 CO 0.00 0.12 0.01 1.28 -0.95 0.00 0.00 178.83 179.29 3nd2 n LEU 839 N -4.40 5.55 -4.89 1.46 4.77 -1.26 -4.91 117.00 113.33 3nd2 n LEU 839 Ca 0.22 -2.96 -0.32 0.00 -0.03 0.00 0.00 56.01 52.91 3nd2 n LEU 839 Cb 0.94 -0.67 -0.05 0.00 -2.33 0.00 0.00 43.42 41.31 3nd2 n LEU 839 CO 0.34 0.64 0.06 -0.36 -1.33 0.00 0.00 177.39 176.74 3nd2 s PHE 840 N -2.80 3.50 0.77 -1.77 0.08 0.13 -4.86 117.98 113.03 3nd2 s PHE 840 Ca 0.53 0.65 -0.12 0.00 0.12 0.00 0.00 56.93 58.11 3nd2 s PHE 840 Cb 0.41 -2.07 0.05 0.00 -0.57 0.00 0.00 43.02 40.84 3nd2 s PHE 840 CO 0.15 0.44 1.13 -1.54 -0.10 0.00 0.00 175.22 175.30 3nd2 s SER 841 N -2.25 4.89 0.49 1.36 1.04 -1.26 -4.90 113.70 113.07 3nd2 s SER 841 Ca 0.39 0.99 0.27 0.00 0.48 0.00 0.00 55.95 58.08 3nd2 s SER 841 Cb -0.12 -1.64 1.17 0.00 0.10 0.00 0.00 66.02 65.52 3nd2 s SER 841 CO 0.22 -1.68 1.93 -0.61 0.98 0.00 0.00 173.24 174.08 3nd2 h GLN 842 N -0.90 0.00 -0.01 4.02 5.75 -1.99 -1.48 115.11 120.50 3nd2 h GLN 842 Ca -0.46 0.00 -0.16 0.00 -0.15 0.00 0.00 58.65 57.88 3nd2 h GLN 842 Cb 1.29 0.00 -0.02 0.00 1.07 0.00 0.00 27.48 29.82 3nd2 h GLN 842 CO 0.64 0.16 -0.74 0.00 -2.65 0.00 0.00 178.83 176.24 3nd2 h ALA 843 N 1.84 0.74 -0.04 3.38 0.00 -1.99 -2.11 119.26 121.08 3nd2 h ALA 843 Ca -0.00 -0.65 -0.19 0.00 0.00 0.00 0.00 54.91 54.07 3nd2 h ALA 843 Cb 0.59 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.27 3nd2 h ALA 843 CO 0.02 0.86 -0.78 1.15 0.00 0.00 0.00 179.25 180.50 3nd2 h THR 844 N 0.07 1.41 -0.13 0.00 2.02 -1.68 -2.80 112.91 111.81 3nd2 h THR 844 Ca -0.02 -2.28 -0.14 0.00 0.77 0.00 0.00 66.41 64.74 3nd2 h THR 844 Cb 1.30 2.23 0.01 0.00 -1.74 0.00 0.00 68.15 69.94 3nd2 h THR 844 CO 0.10 0.68 -0.47 0.11 0.37 0.00 0.00 175.52 176.32 3nd2 h LYS 845 N 0.21 0.54 -0.89 6.66 1.57 -1.27 -2.55 116.57 120.85 3nd2 h LYS 845 Ca -0.04 -0.41 0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3nd2 h LYS 845 Cb 1.37 0.08 -0.05 0.00 0.08 0.00 0.00 32.23 33.70 3nd2 h LYS 845 CO 0.13 1.03 0.58 -0.44 -0.57 0.00 0.00 179.45 180.18 3nd2 h ASP 846 N 0.16 0.92 -0.53 0.86 5.19 -1.46 -0.55 116.42 121.00 3nd2 h ASP 846 Ca -0.02 -0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 56.27 3nd2 h ASP 846 Cb 1.10 -0.20 -0.02 0.00 0.18 0.00 0.00 39.33 40.39 3nd2 h ASP 846 CO 0.10 0.61 -0.11 0.74 -3.12 0.00 0.00 179.24 177.46 3nd2 h THR 847 N 1.06 1.27 -0.62 0.35 2.02 -1.46 -2.26 112.91 113.27 3nd2 h THR 847 Ca 0.37 -1.27 -0.09 0.00 0.77 0.00 0.00 66.41 66.19 3nd2 h THR 847 Cb 0.11 0.96 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 3nd2 h THR 847 CO -0.12 0.45 0.02 0.00 0.37 0.00 0.00 175.52 176.23 3nd2 h ALA 848 N 0.96 0.86 -0.63 6.16 0.00 -0.99 -1.88 119.26 123.74 3nd2 h ALA 848 Ca 0.14 -0.31 0.08 0.00 0.00 0.00 0.00 54.91 54.82 3nd2 h ALA 848 Cb 0.67 -0.23 -0.06 0.00 0.00 0.00 0.00 17.79 18.17 3nd2 h ALA 848 CO 0.05 0.67 0.30 -0.09 0.00 0.00 0.00 179.25 180.18 3nd2 h ARG 849 N 0.99 0.52 -0.58 0.00 2.43 -1.02 -0.28 114.38 116.44 3nd2 h ARG 849 Ca 0.18 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 59.31 3nd2 h ARG 849 Cb 0.54 -0.12 -0.03 0.00 -0.42 0.00 0.00 29.97 29.95 3nd2 h ARG 849 CO 0.03 0.34 0.33 2.35 -1.51 0.00 0.00 179.97 181.51 3nd2 h TRP 850 N 0.54 0.79 -0.29 2.20 2.91 -1.15 -0.20 115.95 120.74 3nd2 h TRP 850 Ca 0.30 -0.01 -0.09 0.00 1.13 0.00 0.00 58.89 60.21 3nd2 h TRP 850 Cb 0.28 -0.25 -0.01 0.00 -0.51 0.00 0.00 29.16 28.67 3nd2 h TRP 850 CO -0.12 0.56 -0.20 0.00 -1.03 0.00 0.00 178.44 177.65 3nd2 h ALA 851 N 1.15 1.11 -0.45 2.65 0.00 -1.05 -1.25 119.26 121.43 3nd2 h ALA 851 Ca 0.21 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.72 3nd2 h ALA 851 Cb 0.03 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 3nd2 h ALA 851 CO -0.03 0.55 -0.01 -0.09 0.00 0.00 0.00 179.25 179.66 3nd2 h ARG 852 N 0.47 0.79 -0.60 0.00 9.65 -0.65 0.20 114.38 124.25 3nd2 h ARG 852 Ca 0.08 -0.26 -0.10 0.00 -1.10 0.00 0.00 59.98 58.60 3nd2 h ARG 852 Cb 0.62 -0.07 -0.02 0.00 -1.39 0.00 0.00 29.97 29.11 3nd2 h ARG 852 CO 0.04 0.86 -0.02 0.93 2.80 0.00 0.00 179.97 184.59 3nd2 h GLU 853 N 0.64 1.07 -0.28 0.20 5.08 -0.92 -0.61 114.58 119.75 3nd2 h GLU 853 Ca 0.12 -0.35 -0.17 0.00 -1.00 0.00 0.00 59.36 57.97 3nd2 h GLU 853 Cb 0.51 -0.09 -0.00 0.00 0.50 0.00 0.00 28.75 29.66 3nd2 h GLU 853 CO 0.03 1.05 -0.49 1.96 -1.00 0.00 0.00 179.01 180.55 3nd2 h GLN 854 N 0.97 0.78 -0.39 2.33 1.08 -1.16 -2.15 115.11 116.58 3nd2 h GLN 854 Ca 0.17 -0.46 -0.03 0.00 -1.45 0.00 0.00 58.65 56.88 3nd2 h GLN 854 Cb 0.58 0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 28.03 3nd2 h GLN 854 CO 0.03 1.09 0.14 0.37 -0.95 0.00 0.00 178.83 179.51 3nd2 h GLN 855 N 0.61 0.59 -0.99 1.46 -0.00 -0.50 -2.00 115.11 114.28 3nd2 h GLN 855 Ca 0.03 -0.12 0.02 0.00 -0.00 0.00 0.00 58.65 58.58 3nd2 h GLN 855 Cb 1.06 -0.09 -0.05 0.00 0.00 0.00 0.00 27.48 28.40 3nd2 h GLN 855 CO 0.11 0.58 0.65 0.87 0.00 0.00 0.00 178.83 181.04 3nd2 h LYS 856 N 0.48 1.28 -0.85 1.69 1.57 -1.11 -2.11 116.57 117.52 3nd2 h LYS 856 Ca 0.13 -0.08 0.01 0.00 -1.87 0.00 0.00 60.65 58.84 3nd2 h LYS 856 Cb 0.22 -0.29 -0.04 0.00 0.08 0.00 0.00 32.23 32.20 3nd2 h LYS 856 CO -0.01 0.85 0.56 0.00 -0.57 0.00 0.00 179.45 180.28 3nd2 h ARG 857 N 1.32 1.09 -0.14 3.15 3.08 -1.17 -2.88 114.38 118.82 3nd2 h ARG 857 Ca 0.37 -0.07 -0.09 0.00 0.07 0.00 0.00 59.98 60.26 3nd2 h ARG 857 Cb -0.11 -0.25 -0.01 0.00 0.08 0.00 0.00 29.97 29.68 3nd2 h ARG 857 CO -0.09 0.72 -0.32 1.96 -1.07 0.00 0.00 179.97 181.17 3nd2 h GLN 858 N 1.12 0.28 -0.11 0.04 1.08 -0.69 -3.02 115.11 113.81 3nd2 h GLN 858 Ca 0.32 -0.11 -0.17 0.00 -1.45 0.00 0.00 58.65 57.24 3nd2 h GLN 858 Cb -0.09 -0.01 -0.01 0.00 -0.05 0.00 0.00 27.48 27.32 3nd2 h GLN 858 CO -0.08 0.58 -0.64 -0.07 -0.95 0.00 0.00 178.83 177.67 3nd2 h LEU 859 N 0.25 0.47 -1.58 1.46 3.38 -1.27 -3.01 115.31 115.01 3nd2 h LEU 859 Ca 0.03 -0.28 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3nd2 h LEU 859 Cb 0.69 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 41.30 3nd2 h LEU 859 CO 0.05 0.99 -0.16 0.28 0.09 0.00 0.00 178.44 179.68 3nd2 h SER 860 N 0.30 0.06 0.00 -0.43 0.02 -1.42 -3.52 113.55 108.55 3nd2 h SER 860 Ca -0.01 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.93 3nd2 h SER 860 Cb 1.18 -0.01 0.00 0.00 0.14 0.00 0.00 62.40 63.71 3nd2 h SER 860 CO 0.11 0.23 0.00 0.18 -1.14 0.00 0.00 176.83 176.21