#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5a s MET 1 N 0.00 3.28 0.50 5.55 1.00 -0.96 -4.99 119.30 123.67 3g5a s MET 1 Ca 0.00 -0.24 -0.23 0.00 0.00 0.00 0.00 55.69 55.21 3g5a s MET 1 Cb 0.00 -3.04 -0.07 0.00 0.00 0.00 0.00 34.83 31.72 3g5a s MET 1 CO 0.00 0.75 1.38 0.54 0.00 0.00 0.00 175.02 177.68 3g5a n ARG 2 N 1.96 1.94 -0.18 2.03 1.74 -1.26 -3.96 116.66 118.93 3g5a n ARG 2 Ca -0.19 0.70 -0.01 0.00 -0.77 0.00 0.00 57.85 57.58 3g5a n ARG 2 Cb 0.54 -2.58 0.08 0.00 -1.02 0.00 0.00 32.46 29.49 3g5a n ARG 2 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3g5a h LEU 3 N 1.83 0.08 -0.54 0.55 5.85 -1.83 -0.23 115.31 121.03 3g5a h LEU 3 Ca -0.51 0.09 0.10 0.00 0.84 0.00 0.00 57.88 58.40 3g5a h LEU 3 Cb 1.29 0.10 -0.09 0.00 0.37 0.00 0.00 40.66 42.33 3g5a h LEU 3 CO 0.59 0.07 0.03 1.23 -0.34 0.00 0.00 178.44 180.02 3g5a h GLY 4 N 0.30 0.59 0.95 3.75 0.00 -1.91 0.48 103.07 107.24 3g5a h GLY 4 Ca 0.27 0.04 -0.02 0.00 0.00 0.00 0.00 47.33 47.62 3g5a h GLY 4 CO -0.32 -0.14 0.19 -0.55 0.00 0.00 0.00 176.54 175.72 3g5a h ASP 5 N 0.15 0.58 -0.28 0.19 3.32 -1.68 0.14 116.42 118.84 3g5a h ASP 5 Ca 0.28 -0.15 0.03 0.00 0.02 0.00 0.00 57.03 57.21 3g5a h ASP 5 Cb 0.42 -0.15 -0.03 0.00 0.22 0.00 0.00 39.33 39.78 3g5a h ASP 5 CO -0.43 0.57 0.07 0.00 -1.72 0.00 0.00 179.24 177.74 3g5a h ALA 6 N 1.03 0.30 -0.34 3.45 0.00 -0.44 -0.35 119.26 122.92 3g5a h ALA 6 Ca 0.15 0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.10 3g5a h ALA 6 Cb 0.16 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.98 3g5a h ALA 6 CO -0.01 -0.34 0.22 0.00 0.00 0.00 0.00 179.25 179.12 3g5a h ALA 7 N 1.19 0.44 -0.68 0.00 0.00 0.16 -0.96 119.26 119.41 3g5a h ALA 7 Ca 0.13 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3g5a h ALA 7 Cb 0.12 -0.14 -0.03 0.00 0.00 0.00 0.00 17.79 17.74 3g5a h ALA 7 CO -0.15 -0.09 0.19 1.49 0.00 0.00 0.00 179.25 180.69 3g5a h GLU 8 N 0.46 1.05 -0.29 0.00 4.81 -0.64 -0.46 114.58 119.51 3g5a h GLU 8 Ca 0.13 -0.23 0.02 0.00 -0.13 0.00 0.00 59.36 59.15 3g5a h GLU 8 Cb -0.04 -0.15 -0.02 0.00 0.63 0.00 0.00 28.75 29.16 3g5a h GLU 8 CO -0.03 0.91 0.15 1.25 -0.73 0.00 0.00 179.01 180.56 3g5a h LEU 9 N 1.01 0.22 -0.92 1.64 5.85 -0.79 -1.25 115.31 121.07 3g5a h LEU 9 Ca 0.22 0.01 -0.02 0.00 0.84 0.00 0.00 57.88 58.93 3g5a h LEU 9 Cb 0.31 -0.03 -0.04 0.00 0.37 0.00 0.00 40.66 41.27 3g5a h LEU 9 CO -0.00 0.17 0.49 0.00 -0.34 0.00 0.00 178.44 178.76 3g5a h TYR 11 N 1.26 0.61 -0.24 0.00 3.20 -0.88 -0.96 116.97 119.96 3g5a h TYR 11 Ca 0.32 0.00 -0.15 0.00 3.14 0.00 0.00 58.73 62.04 3g5a h TYR 11 Cb 0.02 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.09 3g5a h TYR 11 CO 0.01 0.41 -0.45 -0.91 -1.64 0.00 0.00 178.16 175.58 3g5a h ASN 12 N 0.62 0.67 -0.07 -2.11 2.35 -0.62 0.49 115.58 116.91 3g5a h ASN 12 Ca 0.17 -0.32 -0.18 0.00 -0.55 0.00 0.00 56.30 55.42 3g5a h ASN 12 Cb -0.02 -0.19 -0.00 0.00 0.05 0.00 0.00 38.32 38.16 3g5a h ASN 12 CO -0.03 1.02 -0.62 0.17 -1.65 0.00 0.00 177.43 176.32 3g5a h LEU 13 N 0.50 0.78 -0.48 1.61 8.10 -0.94 0.16 115.31 125.04 3g5a h LEU 13 Ca 0.03 -0.45 -0.15 0.00 0.11 0.00 0.00 57.88 57.42 3g5a h LEU 13 Cb 0.98 -0.22 -0.01 0.00 -0.44 0.00 0.00 40.66 40.97 3g5a h LEU 13 CO 0.09 1.21 -0.39 0.74 -4.11 0.00 0.00 178.44 175.97 3g5a h THR 14 N 0.51 1.28 -0.46 0.15 2.02 -1.06 -0.48 112.91 114.86 3g5a h THR 14 Ca -0.01 -1.57 -0.03 0.00 0.77 0.00 0.00 66.41 65.58 3g5a h THR 14 Cb 1.21 1.43 -0.02 0.00 -1.74 0.00 0.00 68.15 69.03 3g5a h THR 14 CO 0.12 0.52 0.19 0.28 0.37 0.00 0.00 175.52 177.00 3g5a h SER 15 N 0.67 0.63 -0.38 4.18 0.02 -0.84 -1.71 113.55 116.13 3g5a h SER 15 Ca 0.05 -0.16 0.04 0.00 -0.84 0.00 0.00 61.79 60.88 3g5a h SER 15 Cb 0.96 -0.16 -0.04 0.00 0.14 0.00 0.00 62.40 63.30 3g5a h SER 15 CO 0.09 0.62 0.16 -1.28 -1.14 0.00 0.00 176.83 175.28 3g5a h SER 16 N 0.60 0.20 -0.29 3.07 0.87 -0.74 -2.03 113.55 115.23 3g5a h SER 16 Ca 0.15 0.03 -0.00 0.00 -1.23 0.00 0.00 61.79 60.74 3g5a h SER 16 Cb 0.18 0.00 -0.01 0.00 -0.44 0.00 0.00 62.40 62.13 3g5a h SER 16 CO -0.01 0.15 0.17 0.22 -0.53 0.00 0.00 176.83 176.83 3g5a h TYR 17 N 0.33 0.38 -0.03 2.24 3.20 -0.91 -2.15 116.97 120.02 3g5a h TYR 17 Ca 0.17 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.05 3g5a h TYR 17 Cb 0.12 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 38.26 3g5a h TYR 17 CO -0.13 0.28 0.08 -0.07 -1.64 0.00 0.00 178.16 176.68 3g5a h LEU 18 N 0.37 0.00 0.00 2.82 3.38 -1.00 -2.02 115.31 118.86 3g5a h LEU 18 Ca 0.10 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.07 3g5a h LEU 18 Cb 0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.76 3g5a h LEU 18 CO -0.02 0.00 -0.31 0.00 0.09 0.00 0.00 178.44 178.21 3g5a n GLN 19 N -3.33 0.03 -1.77 1.13 6.02 -0.79 -4.90 117.38 113.77 3g5a n GLN 19 Ca -0.02 0.01 -0.42 0.00 -0.01 0.00 0.00 57.00 56.56 3g5a n GLN 19 Cb 0.16 -1.52 -0.03 0.00 1.02 0.00 0.00 30.24 29.87 3g5a n GLN 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g5a s ILE 20 N -3.01 2.63 -0.45 5.09 1.01 -0.76 -4.90 121.20 120.81 3g5a s ILE 20 Ca 0.12 0.15 -0.29 0.00 0.00 0.00 0.00 60.65 60.64 3g5a s ILE 20 Cb 0.18 -3.10 0.01 0.00 0.01 0.00 0.00 42.46 39.56 3g5a s ILE 20 CO 0.63 0.00 1.39 0.00 0.00 0.00 0.00 174.94 176.97 3g5a s ALA 21 N 2.64 3.00 0.05 9.38 0.00 -1.26 -4.99 121.76 130.58 3g5a s ALA 21 Ca 0.79 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 52.50 3g5a s ALA 21 Cb -0.45 -3.97 -0.02 0.00 0.00 0.00 0.00 23.12 18.67 3g5a s ALA 21 CO 0.35 -2.51 -0.12 0.00 0.00 0.00 0.00 175.76 173.49 3g5a s ALA 22 N 5.51 0.97 0.46 0.00 0.00 -1.26 -5.09 121.76 122.33 3g5a s ALA 22 Ca 0.58 -0.86 -0.23 0.00 0.00 0.00 0.00 51.96 51.46 3g5a s ALA 22 Cb -0.12 -0.07 -0.07 0.00 0.00 0.00 0.00 23.12 22.85 3g5a s ALA 22 CO 0.31 0.12 1.15 -1.21 0.00 0.00 0.00 175.76 176.13 3g5a s GLU 23 N -1.49 3.78 0.53 0.00 2.02 -1.26 -4.85 118.70 117.42 3g5a s GLU 23 Ca -0.03 1.74 0.19 0.00 0.02 0.00 0.00 54.97 56.88 3g5a s GLU 23 Cb -0.09 -2.40 1.35 0.00 0.10 0.00 0.00 34.13 33.09 3g5a s GLU 23 CO 0.01 -0.52 2.14 0.66 0.02 0.00 0.00 175.26 177.57 3g5a h SER 24 N 2.05 0.00 -0.46 -0.19 4.64 -2.00 -0.87 113.55 116.71 3g5a h SER 24 Ca -0.49 0.00 -0.08 0.00 -0.47 0.00 0.00 61.79 60.74 3g5a h SER 24 Cb 1.24 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 63.28 3g5a h SER 24 CO 0.60 0.00 0.11 -0.90 -0.87 0.00 0.00 176.83 175.77 3g5a n ASP 25 N -4.43 4.09 -4.95 4.97 5.75 -1.26 -4.73 116.55 116.00 3g5a n ASP 25 Ca -0.01 -2.75 -0.25 0.00 -0.01 0.00 0.00 54.79 51.76 3g5a n ASP 25 Cb 0.15 -0.65 -0.03 0.00 -1.03 0.00 0.00 41.12 39.56 3g5a n ASP 25 CO 0.00 0.00 0.00 -0.94 -0.11 0.00 0.00 177.20 176.15 3g5a s SER 26 N -0.54 6.32 0.24 -1.12 1.04 -0.33 -5.00 113.70 114.30 3g5a s SER 26 Ca 0.38 0.15 -0.05 0.00 0.48 0.00 0.00 55.95 56.91 3g5a s SER 26 Cb 0.30 -1.90 0.41 0.00 0.10 0.00 0.00 66.02 64.93 3g5a s SER 26 CO 0.10 0.03 1.75 0.40 0.98 0.00 0.00 173.24 176.51 3g5a h ILE 27 N 1.57 0.75 -0.08 -1.02 2.04 -1.93 -2.67 117.51 116.16 3g5a h ILE 27 Ca -0.49 -0.18 0.00 0.00 1.00 0.00 0.00 64.86 65.19 3g5a h ILE 27 Cb 1.20 0.18 -0.00 0.00 -0.74 0.00 0.00 36.82 37.45 3g5a h ILE 27 CO 0.67 0.10 0.05 0.40 0.00 0.00 0.00 178.15 179.37 3g5a h ILE 28 N 0.52 1.04 -0.75 -0.67 2.04 -1.94 -0.05 117.51 117.69 3g5a h ILE 28 Ca 0.39 -0.09 0.03 0.00 1.00 0.00 0.00 64.86 66.19 3g5a h ILE 28 Cb 0.51 0.95 -0.04 0.00 -0.74 0.00 0.00 36.82 37.50 3g5a h ILE 28 CO -0.34 0.03 0.50 0.00 0.00 0.00 0.00 178.15 178.34 3g5a h ALA 29 N 1.01 1.53 -0.45 1.87 0.00 -1.75 -0.07 119.26 121.41 3g5a h ALA 29 Ca 0.03 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.77 3g5a h ALA 29 Cb 0.01 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 3g5a h ALA 29 CO -0.01 0.40 -0.23 0.37 0.00 0.00 0.00 179.25 179.78 3g5a h GLN 30 N 0.94 0.92 -0.36 0.00 4.15 -1.12 -1.96 115.11 117.68 3g5a h GLN 30 Ca 0.30 -0.39 -0.13 0.00 0.77 0.00 0.00 58.65 59.20 3g5a h GLN 30 Cb 0.02 -0.03 -0.01 0.00 0.21 0.00 0.00 27.48 27.66 3g5a h GLN 30 CO -0.08 1.04 -0.29 1.15 -1.93 0.00 0.00 178.83 178.72 3g5a h THR 31 N 0.79 1.28 -0.61 2.39 2.02 -0.47 -0.63 112.91 117.68 3g5a h THR 31 Ca 0.10 -1.43 0.05 0.00 0.77 0.00 0.00 66.41 65.90 3g5a h THR 31 Cb 0.78 1.31 -0.05 0.00 -1.74 0.00 0.00 68.15 68.45 3g5a h THR 31 CO 0.06 0.47 0.34 1.56 0.37 0.00 0.00 175.52 178.32 3g5a h GLN 32 N 0.66 0.62 -0.85 6.66 4.20 -0.86 0.15 115.11 125.68 3g5a h GLN 32 Ca 0.08 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.74 3g5a h GLN 32 Cb 0.82 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 28.42 3g5a h GLN 32 CO 0.07 0.41 0.49 0.00 -0.67 0.00 0.00 178.83 179.12 3g5a h ARG 33 N 0.63 1.16 -0.62 1.46 3.08 -0.88 -1.87 114.38 117.34 3g5a h ARG 33 Ca 0.27 -0.12 -0.08 0.00 0.07 0.00 0.00 59.98 60.12 3g5a h ARG 33 Cb 0.14 -0.24 -0.02 0.00 0.08 0.00 0.00 29.97 29.93 3g5a h ARG 33 CO -0.16 0.83 0.06 0.00 -1.07 0.00 0.00 179.97 179.64 3g5a h ALA 34 N 1.36 0.83 -0.01 0.04 0.00 -0.10 -2.22 119.26 119.16 3g5a h ALA 34 Ca 0.30 -0.28 0.02 0.00 0.00 0.00 0.00 54.91 54.95 3g5a h ALA 34 Cb -0.01 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.52 3g5a h ALA 34 CO -0.05 0.62 -0.10 0.82 0.00 0.00 0.00 179.25 180.54 3g5a h ILE 35 N 0.96 0.73 -0.45 0.00 2.04 -0.45 -1.30 117.51 119.05 3g5a h ILE 35 Ca 0.18 0.00 -0.03 0.00 1.00 0.00 0.00 64.86 66.01 3g5a h ILE 35 Cb 0.48 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.27 3g5a h ILE 35 CO 0.02 0.00 0.14 0.78 0.00 0.00 0.00 178.15 179.09 3g5a h ASN 36 N -0.17 0.60 -0.24 1.72 2.35 -1.18 0.20 115.58 118.85 3g5a h ASN 36 Ca 0.04 -0.08 -0.06 0.00 -0.55 0.00 0.00 56.30 55.66 3g5a h ASN 36 Cb 0.23 -0.15 -0.01 0.00 0.05 0.00 0.00 38.32 38.44 3g5a h ASN 36 CO -0.11 0.57 -0.07 0.74 -1.65 0.00 0.00 177.43 176.91 3g5a h THR 37 N 0.64 1.29 -0.37 2.81 2.02 -1.19 -1.23 112.91 116.88 3g5a h THR 37 Ca 0.15 -1.09 0.03 0.00 0.77 0.00 0.00 66.41 66.27 3g5a h THR 37 Cb 0.19 1.50 -0.03 0.00 -1.74 0.00 0.00 68.15 68.07 3g5a h THR 37 CO -0.01 0.34 0.19 0.74 0.37 0.00 0.00 175.52 177.15 3g5a h THR 38 N 0.21 0.98 -0.37 3.16 2.02 -0.52 -1.03 112.91 117.37 3g5a h THR 38 Ca 0.06 -0.13 0.04 0.00 0.77 0.00 0.00 66.41 67.14 3g5a h THR 38 Cb 0.54 0.56 -0.04 0.00 -1.74 0.00 0.00 68.15 67.48 3g5a h THR 38 CO 0.03 0.07 0.15 0.11 0.37 0.00 0.00 175.52 176.25 3g5a h LYS 39 N 0.38 0.31 -0.43 6.66 1.57 -0.59 -0.62 116.57 123.85 3g5a h LYS 39 Ca 0.16 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3g5a h LYS 39 Cb 0.06 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 32.29 3g5a h LYS 39 CO -0.11 0.20 0.19 1.03 -0.57 0.00 0.00 179.45 180.19 3g5a h SER 40 N 0.32 0.58 -0.19 0.86 0.87 -1.00 0.38 113.55 115.37 3g5a h SER 40 Ca 0.16 -0.15 0.05 0.00 -1.23 0.00 0.00 61.79 60.62 3g5a h SER 40 Cb 0.11 -0.15 -0.05 0.00 -0.44 0.00 0.00 62.40 61.87 3g5a h SER 40 CO -0.15 0.57 -0.14 0.40 -0.53 0.00 0.00 176.83 176.99 3g5a h ILE 41 N 0.55 0.60 0.28 2.23 2.04 -0.95 0.20 117.51 122.47 3g5a h ILE 41 Ca 0.15 0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.99 3g5a h ILE 41 Cb 0.16 0.60 0.00 0.00 -0.74 0.00 0.00 36.82 36.85 3g5a h ILE 41 CO -0.01 0.00 -0.14 -0.07 0.00 0.00 0.00 178.15 177.93 3g5a h LEU 42 N -0.14 -0.32 -0.22 1.44 3.38 -0.81 -1.05 115.31 117.58 3g5a h LEU 42 Ca 0.11 -0.20 -0.17 0.00 0.09 0.00 0.00 57.88 57.71 3g5a h LEU 42 Cb 0.31 0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.14 3g5a h LEU 42 CO -0.28 0.08 -0.53 0.40 0.09 0.00 0.00 178.44 178.20 3g5a h ILE 43 N -0.78 1.30 0.00 1.22 2.04 -0.27 -1.24 117.51 119.78 3g5a h ILE 43 Ca -0.04 -1.74 -0.30 0.00 1.00 0.00 0.00 64.86 63.78 3g5a h ILE 43 Cb 0.51 1.80 -0.05 0.00 -0.74 0.00 0.00 36.82 38.34 3g5a h ILE 43 CO 0.06 0.55 -1.84 0.59 0.00 0.00 0.00 178.15 177.52 3g5a n ASN 44 N -4.09 0.68 -0.00 1.72 3.02 0.05 -4.37 115.26 112.26 3g5a n ASN 44 Ca -0.06 0.32 0.04 0.00 -0.03 0.00 0.00 54.58 54.85 3g5a n ASN 44 Cb 0.61 0.19 -0.06 0.00 -0.61 0.00 0.00 39.78 39.92 3g5a n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g5a n GLU 45 N -2.97 0.84 -0.05 3.52 1.02 -0.80 -4.70 120.64 117.49 3g5a n GLU 45 Ca -0.20 -0.06 -0.06 0.00 -0.02 0.00 0.00 57.16 56.82 3g5a n GLU 45 Cb 1.06 -1.14 -0.02 0.00 -0.02 0.00 0.00 31.44 31.32 3g5a n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3g5a n THR 46 N -1.68 1.18 -0.16 2.62 -1.04 -0.47 -4.48 114.28 110.25 3g5a n THR 46 Ca -0.01 0.23 0.13 0.00 -2.04 0.00 0.00 64.05 62.36 3g5a n THR 46 Cb 0.19 -2.07 0.47 0.00 -1.82 0.00 0.00 70.33 67.09 3g5a n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3g5a h PHE 47 N -0.68 0.55 0.00 -1.42 0.04 -1.40 0.11 116.94 114.14 3g5a h PHE 47 Ca 0.00 0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.77 3g5a h PHE 47 Cb 0.68 -0.18 -0.00 0.00 2.20 0.00 0.00 35.95 38.65 3g5a h PHE 47 CO -0.29 0.23 -0.05 -1.35 -0.60 0.00 0.00 178.31 176.25 3g5a h PRO 48 N 0.49 0.00 0.09 1.51 0.11 -1.83 -3.27 132.00 129.10 3g5a h PRO 48 Ca 0.35 0.00 -0.37 0.00 0.11 0.00 0.00 66.00 66.09 3g5a h PRO 48 Cb 0.68 0.00 -0.03 0.00 0.11 0.00 0.00 31.00 31.76 3g5a h PRO 48 CO -0.12 0.05 -2.08 1.63 -0.21 0.00 0.00 178.00 177.28 3g5a n LYS 49 N -3.23 0.72 -4.27 1.05 5.02 -0.11 -4.95 118.16 112.39 3g5a n LYS 49 Ca -0.01 0.25 -0.20 0.00 -2.02 0.00 0.00 58.31 56.33 3g5a n LYS 49 Cb 0.26 -1.67 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 3g5a n LYS 49 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3g5a s TRP 50 N -2.54 0.86 0.08 2.13 0.51 -0.43 -5.13 118.94 114.43 3g5a s TRP 50 Ca -0.26 -0.24 -0.31 0.00 -2.12 0.00 0.00 56.10 53.17 3g5a s TRP 50 Cb 0.07 -0.69 -0.07 0.00 -0.81 0.00 0.00 33.47 31.97 3g5a s TRP 50 CO 0.72 -0.17 1.42 0.45 -0.51 0.00 0.00 176.95 178.86 3g5a s SER 51 N 0.65 6.81 0.00 2.95 0.15 -1.26 -4.21 113.70 118.78 3g5a s SER 51 Ca -0.10 2.29 0.18 0.00 0.70 0.00 0.00 55.95 59.03 3g5a s SER 51 Cb -0.13 -2.58 1.07 0.00 -1.71 0.00 0.00 66.02 62.67 3g5a s SER 51 CO 0.01 -0.69 1.57 -0.81 1.20 0.00 0.00 173.24 174.52 3g5a n PRO 52 N 4.43 0.83 -0.00 5.44 -0.04 -1.26 -3.54 135.00 140.86 3g5a n PRO 52 Ca 0.12 0.00 0.04 0.00 -0.04 0.00 0.00 63.50 63.62 3g5a n PRO 52 Cb 0.42 -1.34 -0.06 0.00 -0.04 0.00 0.00 33.50 32.49 3g5a n PRO 52 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g5a n LEU 53 N -0.84 0.07 -0.28 1.53 4.77 -1.26 -4.76 117.00 116.24 3g5a n LEU 53 Ca 0.13 -0.10 0.09 0.00 -0.03 0.00 0.00 56.01 56.11 3g5a n LEU 53 Cb 0.06 0.00 0.17 0.00 -2.33 0.00 0.00 43.42 41.32 3g5a n LEU 53 CO 0.10 0.02 0.59 -0.46 -1.33 0.00 0.00 177.39 176.31 3g5a n ASN 54 N -1.68 2.64 0.00 -1.43 6.94 -1.26 -4.97 115.26 115.51 3g5a n ASN 54 Ca -0.01 -3.12 0.00 0.00 -0.02 0.00 0.00 54.58 51.43 3g5a n ASN 54 Cb 0.20 -0.46 0.00 0.00 -2.36 0.00 0.00 39.78 37.16 3g5a n ASN 54 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g5a n GLY 55 N -1.23 2.04 0.30 4.83 0.00 -1.26 -4.92 105.19 104.94 3g5a n GLY 55 Ca 0.18 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.26 3g5a n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g5a h GLU 56 N 2.65 0.34 -5.30 1.61 5.08 -1.73 -3.33 114.58 113.91 3g5a h GLU 56 Ca 0.00 -0.02 -0.63 0.00 -1.00 0.00 0.00 59.36 57.70 3g5a h GLU 56 Cb 0.00 -0.08 -0.21 0.00 0.50 0.00 0.00 28.75 28.96 3g5a h GLU 56 CO 0.00 0.23 -0.66 0.42 -1.00 0.00 0.00 179.01 178.00 3g5a s ILE 57 N -5.34 3.97 0.21 3.13 1.01 -1.23 -0.13 121.20 122.81 3g5a s ILE 57 Ca -0.07 -0.33 0.09 0.00 0.00 0.00 0.00 60.65 60.34 3g5a s ILE 57 Cb 0.18 -2.74 -0.04 0.00 0.01 0.00 0.00 42.46 39.86 3g5a s ILE 57 CO 0.71 0.49 -0.03 -0.44 0.00 0.00 0.00 174.94 175.67 3g5a s SER 58 N 0.37 4.52 -0.27 3.58 0.01 -0.76 -4.76 113.70 116.39 3g5a s SER 58 Ca -0.03 -0.55 -0.07 0.00 1.31 0.00 0.00 55.95 56.61 3g5a s SER 58 Cb -0.14 -0.86 -0.01 0.00 0.21 0.00 0.00 66.02 65.23 3g5a s SER 58 CO 0.03 0.06 0.06 0.12 0.41 0.00 0.00 173.24 173.92 3g5a s PHE 59 N -1.95 3.10 -0.40 2.43 5.36 -0.25 -1.06 117.98 125.20 3g5a s PHE 59 Ca 0.28 -0.79 -0.29 0.00 -0.96 0.00 0.00 56.93 55.17 3g5a s PHE 59 Cb -0.08 -2.23 0.02 0.00 -0.34 0.00 0.00 43.02 40.39 3g5a s PHE 59 CO 0.18 -0.50 1.22 0.45 -1.46 0.00 0.00 175.22 175.11 3g5a s SER 60 N 1.53 6.62 -0.10 6.13 0.15 -0.07 -0.51 113.70 127.46 3g5a s SER 60 Ca 0.04 0.80 0.01 0.00 0.70 0.00 0.00 55.95 57.50 3g5a s SER 60 Cb -0.16 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.63 3g5a s SER 60 CO 0.02 -1.20 -0.10 -0.47 1.20 0.00 0.00 173.24 172.69 3g5a s TYR 61 N 4.54 1.50 -0.08 3.44 5.04 -0.66 -4.60 117.35 126.52 3g5a s TYR 61 Ca 0.52 -0.68 0.12 0.00 -2.44 0.00 0.00 57.07 54.59 3g5a s TYR 61 Cb -0.11 -1.18 0.21 0.00 0.35 0.00 0.00 41.96 41.23 3g5a s TYR 61 CO 0.27 -0.43 1.11 0.27 -1.34 0.00 0.00 175.55 175.43 3g5a n ASN 62 N 4.51 1.39 0.00 4.32 6.94 -1.26 -4.15 115.26 127.01 3g5a n ASN 62 Ca -0.17 -2.72 0.00 0.00 -0.02 0.00 0.00 54.58 51.67 3g5a n ASN 62 Cb 0.51 -0.35 0.00 0.00 -2.36 0.00 0.00 39.78 37.57 3g5a n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g5a n GLY 63 N -0.78 0.95 3.71 4.83 0.00 -1.26 -4.85 105.19 107.78 3g5a n GLY 63 Ca 0.10 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.83 3g5a n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g5a s GLY 64 N -1.97 1.61 0.23 -0.02 0.00 -1.26 -4.60 107.32 101.31 3g5a s GLY 64 Ca 0.00 -0.11 -0.06 0.00 0.00 0.00 0.00 44.72 44.55 3g5a s GLY 64 CO 0.00 0.40 1.83 0.07 0.00 0.00 0.00 173.10 175.40 3g5a h LYS 65 N -1.62 0.82 -0.06 2.90 2.10 -1.97 -0.54 116.57 118.20 3g5a h LYS 65 Ca -0.50 -0.05 -0.10 0.00 -2.00 0.00 0.00 60.65 58.00 3g5a h LYS 65 Cb 1.29 -0.18 0.01 0.00 -0.90 0.00 0.00 32.23 32.44 3g5a h LYS 65 CO 0.55 0.54 -0.35 -0.44 -2.00 0.00 0.00 179.45 177.75 3g5a h ASP 66 N 0.84 0.40 0.76 7.07 3.32 -1.92 -1.26 116.42 125.63 3g5a h ASP 66 Ca 0.36 -0.67 -0.06 0.00 0.02 0.00 0.00 57.03 56.68 3g5a h ASP 66 Cb 0.23 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.66 3g5a h ASP 66 CO -0.20 1.01 -0.28 0.00 -1.72 0.00 0.00 179.24 178.05 3g5a h GLN 68 N 0.00 0.10 -0.49 0.00 4.15 -1.02 0.25 115.11 118.10 3g5a h GLN 68 Ca -0.00 -0.03 0.05 0.00 0.77 0.00 0.00 58.65 59.44 3g5a h GLN 68 Cb 0.74 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.37 3g5a h GLN 68 CO 0.04 0.40 0.21 0.28 -1.93 0.00 0.00 178.83 177.82 3g5a h VAL 69 N -0.21 0.90 -0.84 2.39 2.07 -1.17 -0.86 116.25 118.53 3g5a h VAL 69 Ca 0.01 -0.14 0.01 0.00 0.82 0.00 0.00 66.70 67.40 3g5a h VAL 69 Cb 0.35 0.45 -0.04 0.00 -1.52 0.00 0.00 31.29 30.53 3g5a h VAL 69 CO 0.00 0.08 0.55 0.25 0.02 0.00 0.00 177.57 178.47 3g5a h LEU 70 N 0.41 0.97 -0.39 2.57 5.85 -1.09 -1.63 115.31 122.01 3g5a h LEU 70 Ca 0.22 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.92 3g5a h LEU 70 Cb 0.18 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 40.95 3g5a h LEU 70 CO -0.19 0.72 0.25 0.25 -0.34 0.00 0.00 178.44 179.12 3g5a h LEU 71 N 1.14 0.41 -0.16 2.25 5.85 0.13 0.18 115.31 125.12 3g5a h LEU 71 Ca 0.31 -0.00 0.03 0.00 0.84 0.00 0.00 57.88 59.05 3g5a h LEU 71 Cb -0.12 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 40.79 3g5a h LEU 71 CO -0.06 0.30 -0.02 -0.07 -0.34 0.00 0.00 178.44 178.25 3g5a h LEU 72 N 0.50 -0.10 -0.93 2.25 3.38 -0.88 0.51 115.31 120.04 3g5a h LEU 72 Ca 0.15 0.04 -0.06 0.00 0.09 0.00 0.00 57.88 58.10 3g5a h LEU 72 Cb -0.03 0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 3g5a h LEU 72 CO -0.05 -0.03 0.15 -0.07 0.09 0.00 0.00 178.44 178.54 3g5a h LEU 73 N 0.03 0.88 -0.29 1.67 3.38 -1.10 -1.05 115.31 118.83 3g5a h LEU 73 Ca 0.07 -0.16 -0.06 0.00 0.09 0.00 0.00 57.88 57.82 3g5a h LEU 73 Cb 0.10 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.61 3g5a h LEU 73 CO -0.14 0.85 -0.06 0.22 0.09 0.00 0.00 178.44 179.39 3g5a h TYR 74 N 0.90 0.62 -0.81 1.13 3.20 -0.23 -1.57 116.97 120.21 3g5a h TYR 74 Ca 0.20 -0.13 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3g5a h TYR 74 Cb 0.31 -0.15 -0.04 0.00 1.54 0.00 0.00 36.73 38.39 3g5a h TYR 74 CO 0.02 0.74 0.53 -0.07 -1.64 0.00 0.00 178.16 177.75 3g5a h LEU 75 N 0.31 0.93 -0.51 2.82 3.38 -0.77 0.78 115.31 122.25 3g5a h LEU 75 Ca 0.07 -0.03 0.08 0.00 0.09 0.00 0.00 57.88 58.09 3g5a h LEU 75 Cb 0.54 -0.23 -0.06 0.00 0.09 0.00 0.00 40.66 41.00 3g5a h LEU 75 CO 0.03 0.68 0.16 -1.28 0.09 0.00 0.00 178.44 178.11 3g5a h SER 76 N 1.10 0.13 -0.01 -0.43 0.87 -1.01 -1.25 113.55 112.94 3g5a h SER 76 Ca 0.30 0.07 -0.14 0.00 -1.23 0.00 0.00 61.79 60.79 3g5a h SER 76 Cb -0.13 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 61.90 3g5a h SER 76 CO -0.06 0.10 -0.46 0.00 -0.53 0.00 0.00 176.83 175.88 3g5a h LEU 78 N 0.45 0.53 -0.18 0.00 6.46 -0.57 0.22 115.31 122.22 3g5a h LEU 78 Ca 0.03 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.81 3g5a h LEU 78 Cb 0.97 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.81 3g5a h LEU 78 CO 0.09 0.35 0.09 -0.25 -0.62 0.00 0.00 178.44 178.10 3g5a h TRP 79 N 0.67 0.26 -0.75 1.25 2.91 -0.97 -0.19 115.95 119.13 3g5a h TRP 79 Ca 0.27 -0.01 -0.02 0.00 1.13 0.00 0.00 58.89 60.27 3g5a h TRP 79 Cb 0.14 -0.08 -0.04 0.00 -0.51 0.00 0.00 29.16 28.68 3g5a h TRP 79 CO -0.08 0.28 0.41 1.49 -1.03 0.00 0.00 178.44 179.51 3g5a h GLU 80 N 0.16 1.05 0.02 2.65 4.81 -1.10 0.30 114.58 122.47 3g5a h GLU 80 Ca 0.06 -0.12 0.01 0.00 -0.13 0.00 0.00 59.36 59.18 3g5a h GLU 80 Cb 0.12 -0.20 -0.02 0.00 0.63 0.00 0.00 28.75 29.28 3g5a h GLU 80 CO -0.01 0.78 -0.09 -0.92 -0.73 0.00 0.00 179.01 178.04 3g5a h TYR 81 N 1.03 -0.22 -0.41 0.92 3.20 -0.46 -1.85 116.97 119.17 3g5a h TYR 81 Ca 0.26 0.01 0.08 0.00 3.14 0.00 0.00 58.73 62.22 3g5a h TYR 81 Cb 0.04 0.10 -0.08 0.00 1.54 0.00 0.00 36.73 38.33 3g5a h TYR 81 CO 0.00 -0.14 -0.11 -0.92 -1.64 0.00 0.00 178.16 175.36 3g5a h TYR 82 N -0.17 -0.23 0.31 -3.82 3.20 -0.53 0.07 116.97 115.81 3g5a h TYR 82 Ca 0.03 0.04 -0.02 0.00 3.14 0.00 0.00 58.73 61.92 3g5a h TYR 82 Cb 0.19 0.17 0.00 0.00 1.54 0.00 0.00 36.73 38.63 3g5a h TYR 82 CO -0.14 -0.18 -0.15 0.82 -1.64 0.00 0.00 178.16 176.86 3g5a h ILE 83 N -0.01 0.72 -0.27 1.81 1.08 -0.80 0.19 117.51 120.24 3g5a h ILE 83 Ca 0.20 -0.27 -0.04 0.00 -0.39 0.00 0.00 64.86 64.35 3g5a h ILE 83 Cb 0.31 0.87 -0.01 0.00 -3.07 0.00 0.00 36.82 34.91 3g5a h ILE 83 CO -0.43 0.06 -0.00 0.58 -0.69 0.00 0.00 178.15 177.67 3g5a h VAL 84 N -0.57 1.26 0.00 1.67 2.07 -1.33 -3.34 116.25 116.00 3g5a h VAL 84 Ca -0.04 -0.92 -0.37 0.00 0.82 0.00 0.00 66.70 66.19 3g5a h VAL 84 Cb 0.42 1.33 -0.07 0.00 -1.52 0.00 0.00 31.29 31.45 3g5a h VAL 84 CO 0.07 0.29 -2.34 0.29 0.02 0.00 0.00 177.57 175.90 3g5a n LYS 85 N -4.61 0.68 -0.03 1.57 4.76 0.01 -4.79 118.16 115.75 3g5a n LYS 85 Ca -0.03 0.03 -0.03 0.00 -2.87 0.00 0.00 58.31 55.41 3g5a n LYS 85 Cb 0.25 -1.54 -0.05 0.00 -1.84 0.00 0.00 35.03 31.85 3g5a n LYS 85 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 3g5a n LEU 86 N -2.84 0.46 -0.19 -0.35 4.32 -0.12 -4.82 117.00 113.47 3g5a n LEU 86 Ca -0.33 -0.01 -0.10 0.00 -0.02 0.00 0.00 56.01 55.55 3g5a n LEU 86 Cb 1.13 0.08 0.02 0.00 -1.62 0.00 0.00 43.42 43.04 3g5a n LEU 86 CO 0.41 0.22 0.76 0.77 -1.22 0.00 0.00 177.39 178.33 3g5a h SER 87 N 0.00 1.04 -3.44 -1.43 4.64 -0.83 -3.40 113.55 110.12 3g5a h SER 87 Ca -0.17 -0.34 -0.54 0.00 -0.47 0.00 0.00 61.79 60.27 3g5a h SER 87 Cb 1.36 -0.28 -0.04 0.00 -0.31 0.00 0.00 62.40 63.13 3g5a h SER 87 CO 0.00 1.14 0.17 -1.58 -0.87 0.00 0.00 176.83 175.70 3g5a s GLN 88 N -4.87 4.51 0.43 4.77 2.00 -1.26 -0.22 119.66 125.03 3g5a s GLN 88 Ca -0.11 1.10 0.01 0.00 -2.00 0.00 0.00 55.36 54.35 3g5a s GLN 88 Cb 0.13 -3.36 0.08 0.00 0.80 0.00 0.00 33.01 30.66 3g5a s GLN 88 CO 0.86 0.29 0.59 -1.13 -0.50 0.00 0.00 175.29 175.40 3g5a n SER 89 N 2.77 0.93 0.27 6.67 3.41 -1.05 -4.84 113.62 121.78 3g5a n SER 89 Ca -0.02 -1.75 0.18 0.00 -0.26 0.00 0.00 58.87 57.01 3g5a n SER 89 Cb 0.50 -0.37 0.81 0.00 -0.26 0.00 0.00 64.21 64.89 3g5a n SER 89 CO 0.00 0.00 0.00 1.56 -0.16 0.00 0.00 175.04 176.44 3g5a h GLN 90 N 0.00 0.00 -5.55 4.33 7.50 -1.98 -3.44 115.11 115.97 3g5a h GLN 90 Ca -0.20 0.00 -0.65 0.00 0.50 0.00 0.00 58.65 58.30 3g5a h GLN 90 Cb 0.76 0.00 -0.18 0.00 0.05 0.00 0.00 27.48 28.11 3g5a h GLN 90 CO 0.22 0.00 -0.64 -0.06 -1.50 0.00 0.00 178.83 176.86 3g5a s PHE 91 N -3.75 3.10 -0.01 2.96 0.08 -1.26 -5.08 117.98 114.02 3g5a s PHE 91 Ca -0.00 -0.06 -0.37 0.00 0.12 0.00 0.00 56.93 56.62 3g5a s PHE 91 Cb 0.10 -1.91 -0.16 0.00 -0.57 0.00 0.00 43.02 40.48 3g5a s PHE 91 CO 0.47 0.18 1.51 -3.47 -0.10 0.00 0.00 175.22 173.80 3g5a n ASP 92 N 3.02 2.13 0.00 1.36 2.03 -1.26 -2.29 116.55 121.53 3g5a n ASP 92 Ca -0.18 1.09 0.00 0.00 0.52 0.00 0.00 54.79 56.23 3g5a n ASP 92 Cb 0.53 -1.22 0.00 0.00 -0.72 0.00 0.00 41.12 39.71 3g5a n ASP 92 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 3g5a n GLY 93 N 3.17 1.31 3.29 0.27 0.00 -1.26 -5.02 105.19 106.95 3g5a n GLY 93 Ca 0.20 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 3g5a n GLY 93 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5a s LYS 94 N -0.54 3.25 0.31 1.61 -0.14 -0.97 -5.11 119.74 118.14 3g5a s LYS 94 Ca 0.00 -0.74 0.11 0.00 -1.36 0.00 0.00 55.97 53.98 3g5a s LYS 94 Cb 0.00 -2.61 -0.06 0.00 -1.68 0.00 0.00 37.83 33.48 3g5a s LYS 94 CO 0.00 0.07 -0.15 -0.06 -0.76 0.00 0.00 175.35 174.45 3g5a s PHE 95 N 0.68 2.35 -0.13 3.18 0.08 -1.26 -2.53 117.98 120.36 3g5a s PHE 95 Ca -0.07 -0.40 -0.06 0.00 0.12 0.00 0.00 56.93 56.52 3g5a s PHE 95 Cb -0.16 -1.17 -0.04 0.00 -0.57 0.00 0.00 43.02 41.08 3g5a s PHE 95 CO 0.02 0.66 0.08 -1.01 -0.10 0.00 0.00 175.22 174.87 3g5a s HIS 96 N -2.55 3.39 0.82 0.36 3.76 0.69 -4.88 115.29 116.88 3g5a s HIS 96 Ca 0.31 0.32 -0.11 0.00 -0.15 0.00 0.00 55.06 55.43 3g5a s HIS 96 Cb -0.02 -1.94 0.08 0.00 1.11 0.00 0.00 32.58 31.81 3g5a s HIS 96 CO 0.16 0.50 1.09 -0.98 -0.85 0.00 0.00 174.74 174.66 3g5a s ARG 97 N -0.58 1.91 0.07 1.40 1.04 -1.26 -4.57 118.95 116.96 3g5a s ARG 97 Ca 0.11 1.03 -0.35 0.00 -1.04 0.00 0.00 55.73 55.48 3g5a s ARG 97 Cb -0.12 -1.87 -0.14 0.00 -2.04 0.00 0.00 34.95 30.78 3g5a s ARG 97 CO 0.02 -1.84 1.59 0.34 -0.04 0.00 0.00 175.30 175.38 3g5a n PHE 98 N -3.64 2.11 0.55 5.89 -0.00 -1.26 -4.85 117.46 116.26 3g5a n PHE 98 Ca 0.08 0.31 0.12 0.00 -0.00 0.00 0.00 57.45 57.97 3g5a n PHE 98 Cb 0.54 -2.52 0.27 0.00 -0.00 0.00 0.00 39.48 37.78 3g5a n PHE 98 CO 0.00 0.00 0.00 -1.00 -0.00 0.00 0.00 176.76 175.76 3g5a h PRO 99 N 6.34 0.00 -5.80 -7.13 0.13 -2.00 -3.46 132.00 120.08 3g5a h PRO 99 Ca -0.46 0.00 -0.67 0.00 -0.87 0.00 0.00 66.00 64.00 3g5a h PRO 99 Cb 1.28 0.00 -0.24 0.00 0.13 0.00 0.00 31.00 32.17 3g5a h PRO 99 CO 0.88 0.00 -0.75 -1.17 -0.23 0.00 0.00 178.00 176.73 3g5a s LEU 100 N -4.56 2.80 -0.07 1.56 2.96 -1.26 -5.01 118.68 115.10 3g5a s LEU 100 Ca 0.08 -0.23 0.02 0.00 -0.22 0.00 0.00 54.13 53.78 3g5a s LEU 100 Cb 0.12 -1.61 -0.25 0.00 0.50 0.00 0.00 46.19 44.95 3g5a s LEU 100 CO 0.66 0.26 0.54 0.74 -1.32 0.00 0.00 176.35 177.23 3g5a h THR 101 N 4.85 0.77 -3.37 3.68 2.02 -1.95 -3.41 112.91 115.50 3g5a h THR 101 Ca -0.36 -2.54 -0.16 0.00 0.77 0.00 0.00 66.41 64.12 3g5a h THR 101 Cb 1.18 2.50 -0.23 0.00 -1.74 0.00 0.00 68.15 69.87 3g5a h THR 101 CO 0.54 0.72 -0.47 -0.54 0.37 0.00 0.00 175.52 176.14 3g5a s LYS 102 N -2.58 0.40 -0.36 6.66 -0.14 -1.26 -4.20 119.74 118.26 3g5a s LYS 102 Ca -0.14 -0.12 -0.16 0.00 -1.36 0.00 0.00 55.97 54.19 3g5a s LYS 102 Cb 0.07 0.17 -0.00 0.00 -1.68 0.00 0.00 37.83 36.39 3g5a s LYS 102 CO 0.80 -0.09 0.41 -1.17 -0.76 0.00 0.00 175.35 174.54 3g5a s LEU 103 N -0.80 4.49 -0.16 3.17 2.96 -0.41 -4.74 118.68 123.19 3g5a s LEU 103 Ca -0.09 -0.26 -0.34 0.00 -0.22 0.00 0.00 54.13 53.22 3g5a s LEU 103 Cb -0.05 -2.40 -0.11 0.00 0.50 0.00 0.00 46.19 44.13 3g5a s LEU 103 CO 0.01 -0.41 1.99 -2.65 -1.32 0.00 0.00 176.35 173.97 3g5a n PRO 104 N 5.50 1.92 -4.12 0.98 -0.02 -1.26 -0.43 135.00 137.57 3g5a n PRO 104 Ca -0.08 0.66 -0.15 0.00 -2.02 0.00 0.00 63.50 61.90 3g5a n PRO 104 Cb 0.49 -2.69 -0.12 0.00 -0.02 0.00 0.00 33.50 31.16 3g5a n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g5a s THR 105 N 5.36 0.76 -0.06 3.45 2.01 -0.43 -1.09 115.64 125.63 3g5a s THR 105 Ca 0.97 -1.10 0.01 0.00 0.31 0.00 0.00 61.69 61.88 3g5a s THR 105 Cb -0.68 -0.78 0.02 0.00 0.01 0.00 0.00 72.50 71.08 3g5a s THR 105 CO 0.49 -0.28 -0.07 0.54 -0.69 0.00 0.00 174.62 174.61 3g5a s VAL 106 N -1.24 0.81 -0.14 3.82 0.11 0.33 -1.06 120.40 123.03 3g5a s VAL 106 Ca -0.06 -0.26 0.01 0.00 -2.93 0.00 0.00 61.98 58.74 3g5a s VAL 106 Cb -0.09 -0.80 0.02 0.00 -1.53 0.00 0.00 36.38 33.97 3g5a s VAL 106 CO 0.01 0.30 -0.15 0.12 -3.33 0.00 0.00 175.10 172.04 3g5a s PHE 107 N 1.00 2.21 -0.39 1.54 5.36 0.13 -1.65 117.98 126.17 3g5a s PHE 107 Ca -0.09 -1.20 -0.22 0.00 -0.96 0.00 0.00 56.93 54.46 3g5a s PHE 107 Cb -0.14 -1.60 0.01 0.00 -0.34 0.00 0.00 43.02 40.95 3g5a s PHE 107 CO -0.00 -0.64 0.70 0.42 -1.46 0.00 0.00 175.22 174.24 3g5a s ILE 108 N 1.34 4.79 0.40 3.12 -1.09 -1.26 -2.54 121.20 125.96 3g5a s ILE 108 Ca 0.02 0.55 -0.10 0.00 -2.23 0.00 0.00 60.65 58.89 3g5a s ILE 108 Cb -0.13 -4.18 -0.06 0.00 -1.58 0.00 0.00 42.46 36.50 3g5a s ILE 108 CO -0.09 -0.47 0.76 -0.62 -1.23 0.00 0.00 174.94 173.30 3g5a s ASP 109 N 1.91 6.51 0.05 3.58 2.15 -1.26 -4.96 116.67 124.65 3g5a s ASP 109 Ca 0.27 1.12 -0.04 0.00 0.43 0.00 0.00 52.55 54.33 3g5a s ASP 109 Cb -0.14 -2.32 -0.02 0.00 -0.30 0.00 0.00 42.92 40.15 3g5a s ASP 109 CO 0.18 -0.40 0.06 -1.00 -0.17 0.00 0.00 175.17 173.83 3g5a s HIS 110 N -2.37 0.29 0.15 -5.34 3.76 -1.26 -4.31 115.29 106.20 3g5a s HIS 110 Ca 0.51 -0.68 0.30 0.00 -0.15 0.00 0.00 55.06 55.04 3g5a s HIS 110 Cb -0.10 -0.21 1.25 0.00 1.11 0.00 0.00 32.58 34.62 3g5a s HIS 110 CO 0.32 -0.37 1.95 0.38 -0.85 0.00 0.00 174.74 176.16 3g5a h ASP 111 N 3.51 0.00 -0.40 1.40 2.03 -1.58 -3.02 116.42 118.36 3g5a h ASP 111 Ca -0.33 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.97 3g5a h ASP 111 Cb 1.18 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.68 3g5a h ASP 111 CO 0.55 0.08 0.00 -0.90 -1.03 0.00 0.00 179.24 177.94 3g5a n ASP 112 N -3.23 4.50 -4.76 4.15 5.75 -1.26 -4.95 116.55 116.75 3g5a n ASP 112 Ca 0.00 -2.87 -0.40 0.00 -0.01 0.00 0.00 54.79 51.51 3g5a n ASP 112 Cb 0.34 -0.57 -0.06 0.00 -1.03 0.00 0.00 41.12 39.80 3g5a n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g5a s THR 113 N -2.60 4.42 0.16 2.12 2.01 -1.14 -0.32 115.64 120.29 3g5a s THR 113 Ca 0.46 1.80 -0.34 0.00 0.31 0.00 0.00 61.69 63.92 3g5a s THR 113 Cb 0.35 -4.19 -0.14 0.00 0.01 0.00 0.00 72.50 68.53 3g5a s THR 113 CO 0.13 0.45 1.55 0.49 -0.69 0.00 0.00 174.62 176.56 3g5a n PHE 114 N 2.03 2.21 -0.21 4.92 3.72 -1.26 -4.85 117.46 124.02 3g5a n PHE 114 Ca -0.03 0.30 0.02 0.00 -0.05 0.00 0.00 57.45 57.69 3g5a n PHE 114 Cb 0.49 -2.52 0.13 0.00 -0.94 0.00 0.00 39.48 36.63 3g5a n PHE 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g5a h LYS 115 N 5.78 0.34 -0.84 -1.08 1.63 -1.97 -0.27 116.57 120.16 3g5a h LYS 115 Ca -0.45 -0.02 0.17 0.00 -0.85 0.00 0.00 60.65 59.50 3g5a h LYS 115 Cb 1.26 -0.08 -0.11 0.00 -0.60 0.00 0.00 32.23 32.71 3g5a h LYS 115 CO 0.88 0.22 0.39 1.15 -3.45 0.00 0.00 179.45 178.64 3g5a h THR 116 N 0.35 0.62 -0.25 1.00 2.02 -1.90 0.25 112.91 115.00 3g5a h THR 116 Ca 0.34 -0.17 -0.13 0.00 0.77 0.00 0.00 66.41 67.22 3g5a h THR 116 Cb 0.48 0.08 -0.00 0.00 -1.74 0.00 0.00 68.15 66.97 3g5a h THR 116 CO -0.38 0.09 -0.34 0.25 0.37 0.00 0.00 175.52 175.52 3g5a h LEU 117 N 0.50 0.73 -0.13 2.58 5.85 -1.56 -0.90 115.31 122.37 3g5a h LEU 117 Ca 0.49 -0.50 0.04 0.00 0.84 0.00 0.00 57.88 58.74 3g5a h LEU 117 Cb 0.80 -0.21 -0.07 0.00 0.37 0.00 0.00 40.66 41.55 3g5a h LEU 117 CO -0.44 1.09 -0.49 -0.33 -0.34 0.00 0.00 178.44 177.93 3g5a h GLU 118 N 0.38 -0.53 -0.70 1.25 4.39 -0.61 -0.60 114.58 118.16 3g5a h GLU 118 Ca 0.03 0.04 0.11 0.00 0.34 0.00 0.00 59.36 59.88 3g5a h GLU 118 Cb 0.92 0.12 -0.08 0.00 -0.10 0.00 0.00 28.75 29.61 3g5a h GLU 118 CO 0.08 -0.35 0.30 -0.91 -1.16 0.00 0.00 179.01 176.97 3g5a h ASN 119 N -0.55 0.33 -0.27 1.42 2.35 -0.87 -1.87 115.58 116.12 3g5a h ASN 119 Ca 0.05 0.08 -0.04 0.00 -0.55 0.00 0.00 56.30 55.85 3g5a h ASN 119 Cb 0.67 0.04 -0.01 0.00 0.05 0.00 0.00 38.32 39.07 3g5a h ASN 119 CO -0.42 0.17 0.03 0.15 -1.65 0.00 0.00 177.43 175.71 3g5a h PHE 120 N 0.49 0.49 -0.43 1.19 3.57 -0.68 -1.08 116.94 120.50 3g5a h PHE 120 Ca 0.36 -0.07 0.04 0.00 3.53 0.00 0.00 57.97 61.83 3g5a h PHE 120 Cb 0.47 -0.13 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 3g5a h PHE 120 CO -0.14 0.58 0.18 0.82 -2.23 0.00 0.00 178.31 177.52 3g5a h ILE 121 N 0.26 0.92 -0.02 1.41 2.04 -0.95 -0.46 117.51 120.72 3g5a h ILE 121 Ca 0.08 -0.13 0.01 0.00 1.00 0.00 0.00 64.86 65.82 3g5a h ILE 121 Cb 0.36 0.51 -0.01 0.00 -0.74 0.00 0.00 36.82 36.94 3g5a h ILE 121 CO 0.01 0.07 -0.04 -0.33 0.00 0.00 0.00 178.15 177.86 3g5a h GLU 122 N 0.37 -0.06 -0.31 2.37 5.08 -1.03 -0.60 114.58 120.41 3g5a h GLU 122 Ca 0.19 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.48 3g5a h GLU 122 Cb 0.14 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.40 3g5a h GLU 122 CO -0.17 -0.04 -0.12 0.93 -1.00 0.00 0.00 179.01 178.62 3g5a h GLU 123 N -0.06 0.62 -0.05 2.33 5.08 -1.04 -2.82 114.58 118.64 3g5a h GLU 123 Ca 0.02 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.05 3g5a h GLU 123 Cb 0.09 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3g5a h GLU 123 CO -0.05 0.83 -0.31 1.79 -1.00 0.00 0.00 179.01 180.27 3g5a h THR 124 N 0.38 1.24 -0.87 1.13 1.35 -1.10 -1.57 112.91 113.47 3g5a h THR 124 Ca 0.07 -1.14 0.04 0.00 -0.55 0.00 0.00 66.41 64.84 3g5a h THR 124 Cb 0.63 1.55 -0.05 0.00 -1.73 0.00 0.00 68.15 68.54 3g5a h THR 124 CO 0.04 0.33 0.56 0.28 -0.25 0.00 0.00 175.52 176.48 3g5a h SER 125 N 0.08 0.92 0.08 5.36 0.02 -0.93 0.04 113.55 119.12 3g5a h SER 125 Ca 0.01 -0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 3g5a h SER 125 Cb 0.59 -0.20 0.00 0.00 0.14 0.00 0.00 62.40 62.93 3g5a h SER 125 CO 0.04 0.62 -0.04 -0.07 -1.14 0.00 0.00 176.83 176.24 3g5a h LEU 126 N 1.07 -0.10 -0.53 5.07 3.38 -1.24 -0.82 115.31 122.14 3g5a h LEU 126 Ca 0.36 -0.12 0.09 0.00 0.09 0.00 0.00 57.88 58.30 3g5a h LEU 126 Cb 0.05 0.02 -0.07 0.00 0.09 0.00 0.00 40.66 40.75 3g5a h LEU 126 CO -0.13 0.06 0.12 -0.09 0.09 0.00 0.00 178.44 178.49 3g5a h ARG 127 N -0.25 0.25 -0.16 1.13 2.43 -0.85 -2.85 114.38 114.07 3g5a h ARG 127 Ca -0.01 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 3g5a h ARG 127 Cb 0.21 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.70 3g5a h ARG 127 CO 0.02 0.17 0.00 0.66 -1.51 0.00 0.00 179.97 179.31 3g5a n TYR 128 N -5.10 0.20 -3.60 2.20 4.01 -0.04 -2.28 117.16 112.55 3g5a n TYR 128 Ca 0.07 -0.10 -0.20 0.00 -0.16 0.00 0.00 57.90 57.51 3g5a n TYR 128 Cb 0.27 0.00 0.05 0.00 -0.31 0.00 0.00 39.34 39.35 3g5a n TYR 128 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3g5a n SER 129 N 0.82 -1.51 -4.78 7.72 7.64 -0.87 -4.65 113.62 117.99 3g5a n SER 129 Ca 0.17 -0.74 -0.39 0.00 1.01 0.00 0.00 58.87 58.92 3g5a n SER 129 Cb 0.47 -4.46 -0.06 0.00 -1.01 0.00 0.00 64.21 59.15 3g5a n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g5a s LEU 130 N -6.56 4.53 -0.72 -3.43 1.43 -0.37 -1.29 118.68 112.28 3g5a s LEU 130 Ca 0.01 1.63 -0.17 0.00 -1.03 0.00 0.00 54.13 54.57 3g5a s LEU 130 Cb -0.00 -3.42 0.14 0.00 0.03 0.00 0.00 46.19 42.94 3g5a s LEU 130 CO 0.78 0.15 0.78 -0.55 0.23 0.00 0.00 176.35 177.75 3g5a s SER 131 N -1.28 6.44 -0.44 2.29 0.15 0.43 -4.75 113.70 116.55 3g5a s SER 131 Ca 0.38 -1.95 -0.21 0.00 0.70 0.00 0.00 55.95 54.88 3g5a s SER 131 Cb -0.22 -2.29 0.02 0.00 -1.71 0.00 0.00 66.02 61.83 3g5a s SER 131 CO 0.25 -0.92 0.64 -0.22 1.20 0.00 0.00 173.24 174.19 3g5a s LEU 132 N 1.85 4.50 0.03 3.45 2.96 -1.26 -1.32 118.68 128.89 3g5a s LEU 132 Ca 0.17 -0.34 -0.30 0.00 -0.22 0.00 0.00 54.13 53.43 3g5a s LEU 132 Cb -0.17 -2.73 -0.04 0.00 0.50 0.00 0.00 46.19 43.75 3g5a s LEU 132 CO -0.02 -0.78 1.10 -0.47 -1.32 0.00 0.00 176.35 174.86 3g5a s TYR 133 N 2.83 3.53 -0.07 5.38 5.04 -0.22 -4.96 117.35 128.87 3g5a s TYR 133 Ca 0.23 1.48 0.02 0.00 -2.44 0.00 0.00 57.07 56.35 3g5a s TYR 133 Cb -0.14 -3.29 0.02 0.00 0.35 0.00 0.00 41.96 38.90 3g5a s TYR 133 CO 0.19 -0.71 -0.11 -1.21 -1.34 0.00 0.00 175.55 172.37 3g5a s GLU 134 N 1.09 1.62 0.77 4.97 2.02 -1.26 0.17 118.70 128.09 3g5a s GLU 134 Ca 0.56 -0.37 -0.08 0.00 0.02 0.00 0.00 54.97 55.09 3g5a s GLU 134 Cb -0.25 -1.40 0.10 0.00 0.10 0.00 0.00 34.13 32.68 3g5a s GLU 134 CO 0.28 -0.02 1.09 -1.54 0.02 0.00 0.00 175.26 175.09 3g5a s SER 135 N 0.83 4.34 -0.42 -0.19 1.04 -1.05 -4.98 113.70 113.27 3g5a s SER 135 Ca -0.12 0.30 -0.29 0.00 0.48 0.00 0.00 55.95 56.33 3g5a s SER 135 Cb -0.15 -0.77 0.01 0.00 0.10 0.00 0.00 66.02 65.21 3g5a s SER 135 CO 0.02 -1.91 1.37 -0.62 0.98 0.00 0.00 173.24 173.07 3g5a s ASP 136 N -4.64 6.40 0.58 7.02 -1.08 -1.26 -4.33 116.67 119.36 3g5a s ASP 136 Ca 0.64 0.80 0.30 0.00 -0.52 0.00 0.00 52.55 53.77 3g5a s ASP 136 Cb -0.08 -2.54 1.79 0.00 -1.46 0.00 0.00 42.92 40.63 3g5a s ASP 136 CO 0.47 -1.39 2.23 0.08 0.52 0.00 0.00 175.17 177.09 3g5a h ARG 137 N 10.40 0.00 -0.01 4.34 0.11 -1.91 -1.60 114.38 125.71 3g5a h ARG 137 Ca -0.27 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.81 3g5a h ARG 137 Cb 1.10 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.18 3g5a h ARG 137 CO 1.09 0.02 -0.22 -0.25 0.10 0.00 0.00 179.97 180.71 3g5a n ASP 138 N -3.78 1.05 -4.67 0.08 8.00 -1.26 -1.36 116.55 114.60 3g5a n ASP 138 Ca -0.03 -0.95 -0.42 0.00 0.71 0.00 0.00 54.79 54.10 3g5a n ASP 138 Cb 0.10 0.11 -0.03 0.00 -0.02 0.00 0.00 41.12 41.29 3g5a n ASP 138 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3g5a s LYS 139 N -2.44 4.24 -0.55 -1.24 -0.14 -0.60 -5.01 119.74 114.00 3g5a s LYS 139 Ca 0.26 1.87 -0.20 0.00 -1.36 0.00 0.00 55.97 56.54 3g5a s LYS 139 Cb 0.19 -3.76 0.06 0.00 -1.68 0.00 0.00 37.83 32.65 3g5a s LYS 139 CO 0.50 -0.69 0.74 0.00 -0.76 0.00 0.00 175.35 175.14 3g5a s GLU 141 N 3.08 1.27 0.80 0.00 -1.05 -1.26 -5.15 118.70 116.39 3g5a s GLU 141 Ca 0.18 -0.92 -0.12 0.00 -0.15 0.00 0.00 54.97 53.97 3g5a s GLU 141 Cb -0.19 0.47 0.07 0.00 -0.44 0.00 0.00 34.13 34.05 3g5a s GLU 141 CO 0.12 -0.51 1.10 0.95 0.95 0.00 0.00 175.26 177.87 3g5a s THR 142 N -3.89 3.01 0.17 1.83 -4.23 -1.26 -4.86 115.64 106.41 3g5a s THR 142 Ca 0.10 0.33 -0.12 0.00 -1.18 0.00 0.00 61.69 60.82 3g5a s THR 142 Cb 0.01 -3.09 0.06 0.00 1.34 0.00 0.00 72.50 70.81 3g5a s THR 142 CO -0.04 -0.43 1.70 0.24 -0.54 0.00 0.00 174.62 175.55 3g5a h MET 143 N -1.09 0.88 -0.53 3.99 0.00 -2.02 -0.54 114.93 115.63 3g5a h MET 143 Ca -0.47 -0.19 0.11 0.00 0.00 0.00 0.00 59.70 59.15 3g5a h MET 143 Cb 1.27 -0.13 -0.10 0.00 0.00 0.00 0.00 31.60 32.65 3g5a h MET 143 CO 0.60 0.79 -0.09 0.00 0.00 0.00 0.00 176.91 178.22 3g5a h ALA 144 N 1.05 0.41 -0.32 6.32 0.00 -1.93 -0.82 119.26 123.97 3g5a h ALA 144 Ca 0.19 0.19 -0.08 0.00 0.00 0.00 0.00 54.91 55.21 3g5a h ALA 144 Cb 0.27 0.36 -0.01 0.00 0.00 0.00 0.00 17.79 18.41 3g5a h ALA 144 CO -0.01 -0.42 -0.10 0.93 0.00 0.00 0.00 179.25 179.65 3g5a h GLU 145 N 0.04 0.63 -0.73 0.00 5.08 -1.84 -1.44 114.58 116.32 3g5a h GLU 145 Ca 0.26 -0.25 0.16 0.00 -1.00 0.00 0.00 59.36 58.52 3g5a h GLU 145 Cb 0.40 -0.03 -0.11 0.00 0.50 0.00 0.00 28.75 29.52 3g5a h GLU 145 CO -0.51 0.83 0.19 0.00 -1.00 0.00 0.00 179.01 178.51 3g5a h ALA 146 N 0.79 0.95 0.00 3.43 0.00 -0.85 -2.07 119.26 121.51 3g5a h ALA 146 Ca 0.08 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 55.09 3g5a h ALA 146 Cb 0.61 0.22 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3g5a h ALA 146 CO 0.04 -0.33 -0.28 0.74 0.00 0.00 0.00 179.25 179.42 3g5a h PHE 147 N 0.28 0.00 -0.30 0.00 0.04 -0.93 -1.98 116.94 114.06 3g5a h PHE 147 Ca 0.41 0.00 -0.01 0.00 2.80 0.00 0.00 57.97 61.17 3g5a h PHE 147 Cb 0.70 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.83 3g5a h PHE 147 CO -0.25 0.28 0.14 1.49 -0.60 0.00 0.00 178.31 179.36 3g5a h GLU 148 N 0.00 0.43 -0.05 1.51 4.57 -0.68 -0.60 114.58 119.76 3g5a h GLU 148 Ca -0.00 -0.07 0.01 0.00 -1.18 0.00 0.00 59.36 58.12 3g5a h GLU 148 Cb 1.05 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 29.56 3g5a h GLU 148 CO 0.04 0.42 -0.02 1.15 -1.18 0.00 0.00 179.01 179.42 3g5a h THR 149 N 0.34 0.92 -0.64 0.32 2.02 -1.25 -1.73 112.91 112.90 3g5a h THR 149 Ca 0.10 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.41 3g5a h THR 149 Cb 0.14 0.92 -0.09 0.00 -1.74 0.00 0.00 68.15 67.38 3g5a h THR 149 CO -0.01 0.00 0.13 0.15 0.37 0.00 0.00 175.52 176.16 3g5a h PHE 150 N -0.01 0.21 -0.40 3.16 3.57 -1.28 -1.58 116.94 120.61 3g5a h PHE 150 Ca 0.03 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.50 3g5a h PHE 150 Cb 0.06 0.01 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3g5a h PHE 150 CO -0.12 -0.05 -0.03 -0.07 -2.23 0.00 0.00 178.31 175.81 3g5a h LEU 151 N 0.26 0.62 -0.77 0.59 -0.00 -0.80 0.21 115.31 115.41 3g5a h LEU 151 Ca 0.34 -0.14 -0.02 0.00 -0.00 0.00 0.00 57.88 58.06 3g5a h LEU 151 Cb 0.53 -0.16 -0.04 0.00 -0.00 0.00 0.00 40.66 40.99 3g5a h LEU 151 CO -0.44 0.71 0.41 1.56 -0.00 0.00 0.00 178.44 180.68 3g5a h GLN 152 N 0.61 1.09 -0.32 1.13 4.20 -0.80 -1.29 115.11 119.73 3g5a h GLN 152 Ca 0.12 -0.14 -0.17 0.00 0.06 0.00 0.00 58.65 58.52 3g5a h GLN 152 Cb 0.43 -0.21 -0.00 0.00 0.30 0.00 0.00 27.48 27.99 3g5a h GLN 152 CO 0.02 0.82 -0.46 0.28 -0.67 0.00 0.00 178.83 178.82 3g5a h VAL 153 N 1.08 1.28 -2.35 -0.54 2.07 -0.72 -3.36 116.25 113.70 3g5a h VAL 153 Ca 0.27 -1.64 -0.60 0.00 0.82 0.00 0.00 66.70 65.55 3g5a h VAL 153 Cb 0.06 1.51 -0.42 0.00 -1.52 0.00 0.00 31.29 30.93 3g5a h VAL 153 CO -0.04 0.54 -0.60 0.49 0.02 0.00 0.00 177.57 177.97 3g5a n PHE 154 N -4.03 3.44 0.52 1.57 3.72 0.69 -4.94 117.46 118.44 3g5a n PHE 154 Ca -0.03 -4.17 0.07 0.00 -0.05 0.00 0.00 57.45 53.27 3g5a n PHE 154 Cb 0.58 -0.56 0.31 0.00 -0.94 0.00 0.00 39.48 38.87 3g5a n PHE 154 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3g5a n PRO 155 N 1.08 0.05 0.11 -1.08 -0.04 -0.50 -1.67 135.00 132.95 3g5a n PRO 155 Ca 0.28 0.24 0.13 0.00 -0.04 0.00 0.00 63.50 64.10 3g5a n PRO 155 Cb 0.40 -1.50 0.41 0.00 -0.04 0.00 0.00 33.50 32.77 3g5a n PRO 155 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g5a n GLU 156 N -1.45 0.26 -1.76 0.54 0.00 -1.26 -4.85 120.64 112.11 3g5a n GLU 156 Ca 0.04 0.22 -0.42 0.00 0.00 0.00 0.00 57.16 57.00 3g5a n GLU 156 Cb 0.15 -1.81 -0.03 0.00 0.00 0.00 0.00 31.44 29.75 3g5a n GLU 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3g5a s THR 157 N -3.11 2.59 -0.03 3.84 2.01 -0.67 -4.21 115.64 116.06 3g5a s THR 157 Ca 0.10 0.14 0.08 0.00 0.31 0.00 0.00 61.69 62.33 3g5a s THR 157 Cb 0.12 -3.09 -0.12 0.00 0.01 0.00 0.00 72.50 69.42 3g5a s THR 157 CO 0.59 0.00 0.14 0.29 -0.69 0.00 0.00 174.62 174.95 3g5a n LYS 158 N 5.48 0.98 -3.78 4.92 5.02 0.81 -5.00 118.16 126.60 3g5a n LYS 158 Ca 0.17 -0.06 -0.13 0.00 -2.02 0.00 0.00 58.31 56.28 3g5a n LYS 158 Cb 0.38 -1.21 -0.09 0.00 -0.02 0.00 0.00 35.03 34.10 3g5a n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g5a s ALA 159 N -2.48 -0.72 -0.03 7.82 0.00 -0.72 -1.40 121.76 124.23 3g5a s ALA 159 Ca -0.03 0.38 0.02 0.00 0.00 0.00 0.00 51.96 52.32 3g5a s ALA 159 Cb 0.05 -0.04 0.01 0.00 0.00 0.00 0.00 23.12 23.14 3g5a s ALA 159 CO 0.35 -0.23 -0.07 0.42 0.00 0.00 0.00 175.76 176.23 3g5a s ILE 160 N -1.02 0.64 -0.02 0.00 1.01 -0.19 -1.82 121.20 119.80 3g5a s ILE 160 Ca -0.11 -0.23 -0.27 0.00 0.00 0.00 0.00 60.65 60.04 3g5a s ILE 160 Cb -0.05 -0.61 -0.04 0.00 0.01 0.00 0.00 42.46 41.78 3g5a s ILE 160 CO 0.03 0.23 0.86 -0.69 0.00 0.00 0.00 174.94 175.37 3g5a s VAL 161 N 0.54 4.91 -0.07 2.92 1.01 -0.22 -1.21 120.40 128.28 3g5a s VAL 161 Ca -0.08 1.80 0.02 0.00 0.00 0.00 0.00 61.98 63.72 3g5a s VAL 161 Cb -0.11 -4.20 0.02 0.00 0.00 0.00 0.00 36.38 32.08 3g5a s VAL 161 CO 0.01 0.21 -0.10 -0.63 0.00 0.00 0.00 175.10 174.59 3g5a s ILE 162 N 0.82 1.04 -1.04 2.22 1.01 -0.30 -0.89 121.20 124.05 3g5a s ILE 162 Ca 0.45 -0.40 -0.06 0.00 0.00 0.00 0.00 60.65 60.65 3g5a s ILE 162 Cb -0.20 -0.98 0.01 0.00 0.01 0.00 0.00 42.46 41.30 3g5a s ILE 162 CO 0.24 0.34 2.76 0.61 0.00 0.00 0.00 174.94 178.89 3g5a n GLY 163 N 4.09 4.53 3.92 6.18 0.00 -1.26 -4.49 105.19 118.17 3g5a n GLY 163 Ca -0.21 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.72 3g5a n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g5a s ILE 164 N -0.35 5.36 0.13 -0.61 2.07 -1.26 -4.29 121.20 122.25 3g5a s ILE 164 Ca 0.60 -0.40 0.08 0.00 -1.41 0.00 0.00 60.65 59.52 3g5a s ILE 164 Cb 0.24 -3.65 -0.04 0.00 0.13 0.00 0.00 42.46 39.15 3g5a s ILE 164 CO -0.10 0.09 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.71 3g5a s ARG 165 N -2.65 1.15 0.42 3.50 0.52 -1.26 -3.47 118.95 117.16 3g5a s ARG 165 Ca 0.35 -1.28 0.13 0.00 -0.52 0.00 0.00 55.73 54.42 3g5a s ARG 165 Cb -0.13 -1.23 0.99 0.00 0.52 0.00 0.00 34.95 35.10 3g5a s ARG 165 CO 0.28 0.26 1.94 0.45 0.02 0.00 0.00 175.30 178.25 3g5a h HIS 166 N 3.60 0.53 0.00 -0.53 3.86 -1.18 -0.23 115.15 121.20 3g5a h HIS 166 Ca -0.43 0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.80 3g5a h HIS 166 Cb 1.20 -0.17 0.00 0.00 1.06 0.00 0.00 27.41 29.50 3g5a h HIS 166 CO 0.65 0.23 0.00 0.25 0.86 0.00 0.00 177.93 179.92 3g5a n THR 167 N -4.48 1.08 -1.60 2.45 -2.24 -1.26 -3.40 114.28 104.83 3g5a n THR 167 Ca 0.12 0.30 -0.32 0.00 -2.27 0.00 0.00 64.05 61.89 3g5a n THR 167 Cb 0.43 -1.13 0.05 0.00 -2.10 0.00 0.00 70.33 67.58 3g5a n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g5a s ASP 168 N -3.35 5.18 0.25 3.42 1.01 -0.10 -4.93 116.67 118.16 3g5a s ASP 168 Ca 0.05 1.76 -0.31 0.00 0.71 0.00 0.00 52.55 54.76 3g5a s ASP 168 Cb 0.08 -2.52 -0.13 0.00 1.01 0.00 0.00 42.92 41.36 3g5a s ASP 168 CO 0.26 -1.58 1.45 -2.65 0.21 0.00 0.00 175.17 172.86 3g5a n PRO 169 N -2.94 2.17 -2.14 8.23 -0.02 -1.26 -0.92 135.00 138.12 3g5a n PRO 169 Ca 0.09 0.77 -0.18 0.00 -2.02 0.00 0.00 63.50 62.15 3g5a n PRO 169 Cb 0.53 -2.46 -0.03 0.00 -0.02 0.00 0.00 33.50 31.52 3g5a n PRO 169 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g5a n PHE 170 N 1.99 -0.81 0.96 6.00 3.72 -1.26 -4.87 117.46 123.19 3g5a n PHE 170 Ca 0.11 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.63 3g5a n PHE 170 Cb 0.32 -3.51 0.24 0.00 -0.94 0.00 0.00 39.48 35.60 3g5a n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g5a n GLY 171 N -0.77 -1.26 0.24 1.37 0.00 -0.09 -4.49 105.19 100.19 3g5a n GLY 171 Ca -0.21 -0.34 -0.06 0.00 0.00 0.00 0.00 46.02 45.41 3g5a n GLY 171 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g5a h GLU 172 N 0.00 0.78 -0.57 1.61 4.81 -1.77 -2.98 114.58 116.46 3g5a h GLU 172 Ca 0.00 -0.05 -0.12 0.00 -0.13 0.00 0.00 59.36 59.07 3g5a h GLU 172 Cb 0.52 -0.18 -0.07 0.00 0.63 0.00 0.00 28.75 29.66 3g5a h GLU 172 CO 0.00 0.52 0.12 0.72 -0.73 0.00 0.00 179.01 179.64 3g5a n HIS 173 N -4.67 1.95 -2.94 0.92 8.25 -1.26 -4.96 115.22 112.51 3g5a n HIS 173 Ca 0.04 -1.05 -0.32 0.00 -0.26 0.00 0.00 57.72 56.13 3g5a n HIS 173 Cb 0.02 -0.56 -0.06 0.00 1.12 0.00 0.00 29.99 30.52 3g5a n HIS 173 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3g5a s LEU 174 N -2.93 3.95 0.15 2.41 1.43 -1.13 -5.09 118.68 117.47 3g5a s LEU 174 Ca 0.52 1.39 0.10 0.00 -1.03 0.00 0.00 54.13 55.10 3g5a s LEU 174 Cb 0.41 -4.23 -0.04 0.00 0.03 0.00 0.00 46.19 42.36 3g5a s LEU 174 CO 0.12 -0.31 -0.22 -0.54 0.23 0.00 0.00 176.35 175.63 3g5a s LYS 175 N -3.27 1.33 0.57 1.70 1.02 -1.26 -5.05 119.74 114.77 3g5a s LYS 175 Ca 0.56 -1.36 0.26 0.00 0.02 0.00 0.00 55.97 55.45 3g5a s LYS 175 Cb -0.10 -1.60 1.66 0.00 -0.52 0.00 0.00 37.83 37.27 3g5a s LYS 175 CO 0.20 0.36 2.21 -1.35 -0.92 0.00 0.00 175.35 175.84 3g5a h PRO 176 N 3.59 0.00 -3.58 -1.68 0.11 -1.92 -3.39 132.00 125.13 3g5a h PRO 176 Ca -0.46 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.26 3g5a h PRO 176 Cb 1.19 0.00 -0.37 0.00 0.11 0.00 0.00 31.00 31.93 3g5a h PRO 176 CO 0.45 0.00 -0.75 0.42 -0.21 0.00 0.00 178.00 177.90 3g5a s ILE 177 N -4.75 0.16 -0.29 4.15 1.01 -1.26 0.24 121.20 120.45 3g5a s ILE 177 Ca -0.05 0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.66 3g5a s ILE 177 Cb 0.16 -0.33 0.11 0.00 0.01 0.00 0.00 42.46 42.41 3g5a s ILE 177 CO 0.58 0.20 0.82 -1.58 0.00 0.00 0.00 174.94 174.96 3g5a s GLN 178 N 1.74 0.54 0.69 2.79 0.74 -0.70 -5.01 119.66 120.46 3g5a s GLN 178 Ca 0.00 0.98 -0.16 0.00 0.05 0.00 0.00 55.36 56.23 3g5a s GLN 178 Cb -0.13 0.18 0.02 0.00 1.10 0.00 0.00 33.01 34.18 3g5a s GLN 178 CO -0.03 -0.12 1.22 0.15 -0.55 0.00 0.00 175.29 175.96 3g5a s LYS 179 N 1.64 2.37 1.10 1.67 1.02 -1.26 0.55 119.74 126.83 3g5a s LYS 179 Ca -0.09 1.83 -0.12 0.00 0.02 0.00 0.00 55.97 57.61 3g5a s LYS 179 Cb -0.05 -1.85 0.25 0.00 -0.52 0.00 0.00 37.83 35.66 3g5a s LYS 179 CO -0.18 -1.68 1.06 0.95 -0.92 0.00 0.00 175.35 174.59 3g5a s THR 180 N -1.81 2.00 0.81 2.17 -4.23 -0.43 -4.69 115.64 109.47 3g5a s THR 180 Ca 0.76 0.00 -0.11 0.00 -1.18 0.00 0.00 61.69 61.17 3g5a s THR 180 Cb -0.31 -2.01 0.08 0.00 1.34 0.00 0.00 72.50 71.61 3g5a s THR 180 CO 0.42 -0.00 1.09 -1.81 -0.54 0.00 0.00 174.62 173.78 3g5a s ASP 181 N -2.49 4.15 0.41 3.99 1.01 -1.26 -4.93 116.67 117.56 3g5a s ASP 181 Ca 0.68 1.72 0.24 0.00 0.71 0.00 0.00 52.55 55.91 3g5a s ASP 181 Cb -0.25 -2.41 1.30 0.00 1.01 0.00 0.00 42.92 42.57 3g5a s ASP 181 CO 0.63 -2.24 1.65 0.00 0.21 0.00 0.00 175.17 175.42 3g5a h ALA 182 N -1.27 2.45 -0.00 5.23 0.00 -1.97 -0.77 119.26 122.93 3g5a h ALA 182 Ca -0.45 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.59 3g5a h ALA 182 Cb 1.25 0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.21 3g5a h ALA 182 CO 0.52 -1.05 -0.26 0.27 0.00 0.00 0.00 179.25 178.73 3g5a n ASN 183 N -4.80 0.39 -4.93 0.00 6.94 -1.26 -4.89 115.26 106.71 3g5a n ASN 183 Ca 0.34 -0.15 -0.22 0.00 -0.02 0.00 0.00 54.58 54.53 3g5a n ASN 183 Cb 1.23 -0.04 -0.03 0.00 -2.36 0.00 0.00 39.78 38.59 3g5a n ASN 183 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3g5a s TRP 184 N -2.86 3.38 0.75 -2.53 0.52 -0.29 -4.95 118.94 112.96 3g5a s TRP 184 Ca 0.16 -0.01 -0.15 0.00 0.02 0.00 0.00 56.10 56.12 3g5a s TRP 184 Cb 0.19 -1.56 -0.00 0.00 -1.15 0.00 0.00 33.47 30.95 3g5a s TRP 184 CO 0.59 0.47 0.77 -0.35 0.02 0.00 0.00 176.95 178.46 3g5a n PRO 185 N -1.17 0.32 -2.52 4.98 -0.04 -1.26 -4.80 135.00 130.51 3g5a n PRO 185 Ca -0.08 0.16 -0.42 0.00 -0.04 0.00 0.00 63.50 63.12 3g5a n PRO 185 Cb 0.57 -2.06 -0.03 0.00 -0.04 0.00 0.00 33.50 31.94 3g5a n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g5a s ASP 186 N -1.65 6.28 0.26 3.54 2.15 -1.26 -4.72 116.67 121.26 3g5a s ASP 186 Ca 0.69 -0.01 -0.12 0.00 0.43 0.00 0.00 52.55 53.54 3g5a s ASP 186 Cb -0.33 -2.55 -0.00 0.00 -0.30 0.00 0.00 42.92 39.73 3g5a s ASP 186 CO 0.55 -1.65 0.48 0.72 -0.17 0.00 0.00 175.17 175.10 3g5a s PHE 187 N 5.49 0.41 -0.10 -5.34 -0.71 -1.26 -5.00 117.98 111.47 3g5a s PHE 187 Ca 0.43 -0.77 -0.22 0.00 -1.04 0.00 0.00 56.93 55.33 3g5a s PHE 187 Cb -0.08 0.18 -0.03 0.00 -1.21 0.00 0.00 43.02 41.88 3g5a s PHE 187 CO 0.22 -1.02 0.67 0.71 -1.34 0.00 0.00 175.22 174.46 3g5a s TYR 188 N -3.91 3.53 0.02 3.49 2.02 -0.49 -1.31 117.35 120.70 3g5a s TYR 188 Ca 0.23 1.15 -0.30 0.00 -0.37 0.00 0.00 57.07 57.78 3g5a s TYR 188 Cb -0.01 -2.78 -0.04 0.00 -0.40 0.00 0.00 41.96 38.74 3g5a s TYR 188 CO 0.10 0.05 1.05 1.03 -1.57 0.00 0.00 175.55 176.21 3g5a s ARG 189 N 0.99 4.51 -0.32 -0.62 0.52 0.19 -1.02 118.95 123.20 3g5a s ARG 189 Ca 0.35 1.54 -0.05 0.00 -0.52 0.00 0.00 55.73 57.04 3g5a s ARG 189 Cb -0.17 -3.43 0.04 0.00 0.52 0.00 0.00 34.95 31.91 3g5a s ARG 189 CO 0.16 -0.13 0.07 -0.51 0.02 0.00 0.00 175.30 174.90 3g5a s LEU 190 N 1.08 4.11 -0.56 2.53 1.43 -0.35 -1.71 118.68 125.21 3g5a s LEU 190 Ca 0.54 -1.13 0.06 0.00 -1.03 0.00 0.00 54.13 52.56 3g5a s LEU 190 Cb -0.24 -1.82 0.21 0.00 0.03 0.00 0.00 46.19 44.37 3g5a s LEU 190 CO 0.28 -0.29 0.54 0.00 0.23 0.00 0.00 176.35 177.11 3g5a n GLN 191 N 4.76 1.45 -0.14 1.70 6.02 0.14 -1.15 117.38 130.14 3g5a n GLN 191 Ca -0.13 -4.01 0.07 0.00 -0.01 0.00 0.00 57.00 52.92 3g5a n GLN 191 Cb 0.45 -1.94 0.22 0.00 1.02 0.00 0.00 30.24 29.99 3g5a n GLN 191 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3g5a n PRO 192 N 1.75 1.76 -0.12 -1.09 -0.04 -1.26 -3.85 135.00 132.15 3g5a n PRO 192 Ca 0.25 -1.18 0.07 0.00 -0.04 0.00 0.00 63.50 62.61 3g5a n PRO 192 Cb 0.43 -1.30 0.13 0.00 -0.04 0.00 0.00 33.50 32.72 3g5a n PRO 192 CO 0.00 0.00 0.00 -0.11 -0.04 0.00 0.00 175.50 175.35 3g5a n LEU 193 N 0.43 2.72 -0.33 1.53 7.94 -1.26 -4.34 117.00 123.69 3g5a n LEU 193 Ca 0.13 -1.50 0.06 0.00 -1.11 0.00 0.00 56.01 53.59 3g5a n LEU 193 Cb 0.30 -0.15 0.22 0.00 0.53 0.00 0.00 43.42 44.31 3g5a n LEU 193 CO 0.09 0.60 1.18 -0.07 -1.11 0.00 0.00 177.39 178.09 3g5a h LEU 194 N 2.75 0.77 0.00 -1.96 3.38 -1.66 -1.24 115.31 117.35 3g5a h LEU 194 Ca 0.00 0.06 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3g5a h LEU 194 Cb 0.71 -0.09 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3g5a h LEU 194 CO 0.00 0.40 0.00 0.00 0.09 0.00 0.00 178.44 178.93 3g5a n HIS 195 N -4.71 0.00 -2.69 1.13 1.44 -1.26 -0.86 115.22 108.26 3g5a n HIS 195 Ca 0.17 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.47 3g5a n HIS 195 Cb 0.35 0.00 -0.05 0.00 0.12 0.00 0.00 29.99 30.42 3g5a n HIS 195 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3g5a s TRP 196 N -2.00 3.81 0.45 -1.40 0.52 -0.47 -5.01 118.94 114.84 3g5a s TRP 196 Ca 0.41 1.79 0.07 0.00 0.02 0.00 0.00 56.10 58.39 3g5a s TRP 196 Cb 0.19 -3.08 -0.00 0.00 -1.15 0.00 0.00 33.47 29.42 3g5a s TRP 196 CO 0.32 0.11 0.40 0.54 0.02 0.00 0.00 176.95 178.34 3g5a s ASN 197 N -0.29 4.97 0.24 2.95 2.20 -1.26 -4.71 114.94 119.04 3g5a s ASN 197 Ca 0.46 -0.84 -0.07 0.00 -0.94 0.00 0.00 52.86 51.47 3g5a s ASN 197 Cb -0.25 -0.35 0.25 0.00 -2.00 0.00 0.00 41.25 38.90 3g5a s ASN 197 CO 0.31 -0.77 1.90 0.25 -2.94 0.00 0.00 177.10 175.85 3g5a h LEU 198 N 0.94 1.01 -0.74 3.54 5.85 -1.95 -1.74 115.31 122.22 3g5a h LEU 198 Ca -0.40 -0.02 0.04 0.00 0.84 0.00 0.00 57.88 58.34 3g5a h LEU 198 Cb 1.27 -0.24 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 3g5a h LEU 198 CO 0.57 0.71 0.46 0.00 -0.34 0.00 0.00 178.44 179.84 3g5a h ALA 199 N 1.35 0.98 -0.50 1.25 0.00 -1.85 -1.59 119.26 118.90 3g5a h ALA 199 Ca 0.35 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 55.19 3g5a h ALA 199 Cb -0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.47 3g5a h ALA 199 CO -0.09 0.23 0.12 -0.91 0.00 0.00 0.00 179.25 178.60 3g5a h ASN 200 N 0.89 0.75 0.26 0.00 -0.26 -1.68 -1.33 115.58 114.20 3g5a h ASN 200 Ca 0.30 -0.23 0.00 0.00 -0.56 0.00 0.00 56.30 55.81 3g5a h ASN 200 Cb 0.05 -0.20 -0.02 0.00 -1.06 0.00 0.00 38.32 37.10 3g5a h ASN 200 CO -0.13 0.79 -0.25 0.40 -1.06 0.00 0.00 177.43 177.19 3g5a h ILE 201 N 0.68 0.48 -0.51 2.81 1.08 -1.10 -1.76 117.51 119.19 3g5a h ILE 201 Ca 0.16 0.00 -0.03 0.00 -0.39 0.00 0.00 64.86 64.59 3g5a h ILE 201 Cb 0.33 0.48 -0.02 0.00 -3.07 0.00 0.00 36.82 34.54 3g5a h ILE 201 CO 0.00 0.00 0.19 -0.50 -0.69 0.00 0.00 178.15 177.15 3g5a h TRP 202 N -0.53 0.79 -0.04 1.37 -0.00 -1.31 -1.35 115.95 114.89 3g5a h TRP 202 Ca -0.01 -0.07 0.04 0.00 -0.00 0.00 0.00 58.89 58.85 3g5a h TRP 202 Cb 0.49 -0.23 -0.05 0.00 -0.00 0.00 0.00 29.16 29.36 3g5a h TRP 202 CO -0.16 0.67 -0.27 1.03 -0.00 0.00 0.00 178.44 179.71 3g5a h SER 203 N 0.69 -0.82 -0.20 -3.49 0.87 -1.09 -0.68 113.55 108.83 3g5a h SER 203 Ca 0.17 0.11 -0.05 0.00 -1.23 0.00 0.00 61.79 60.80 3g5a h SER 203 Cb 0.23 0.34 -0.01 0.00 -0.44 0.00 0.00 62.40 62.52 3g5a h SER 203 CO -0.01 -0.33 -0.06 0.15 -0.53 0.00 0.00 176.83 176.05 3g5a h PHE 204 N -0.40 0.44 -0.78 2.24 3.57 -1.31 -1.87 116.94 118.83 3g5a h PHE 204 Ca 0.07 -0.10 -0.04 0.00 3.53 0.00 0.00 57.97 61.44 3g5a h PHE 204 Cb 0.50 -0.11 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 3g5a h PHE 204 CO -0.32 0.65 0.35 1.25 -2.23 0.00 0.00 178.31 178.01 3g5a h LEU 205 N 0.10 1.05 -0.19 0.59 5.85 -1.15 -0.37 115.31 121.19 3g5a h LEU 205 Ca 0.05 -0.15 -0.04 0.00 0.84 0.00 0.00 57.88 58.58 3g5a h LEU 205 Cb 0.51 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.27 3g5a h LEU 205 CO 0.02 0.91 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.92 3g5a h LEU 206 N 1.12 0.36 -1.49 2.25 3.38 -1.12 -3.04 115.31 116.78 3g5a h LEU 206 Ca 0.27 -0.36 0.12 0.00 0.09 0.00 0.00 57.88 57.99 3g5a h LEU 206 Cb 0.16 -0.10 -0.05 0.00 0.09 0.00 0.00 40.66 40.76 3g5a h LEU 206 CO -0.03 0.64 0.48 0.22 0.09 0.00 0.00 178.44 179.85 3g5a h TYR 207 N 0.08 0.60 0.00 1.13 3.20 -1.10 -3.01 116.97 117.86 3g5a h TYR 207 Ca 0.05 0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.92 3g5a h TYR 207 Cb 0.48 -0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.56 3g5a h TYR 207 CO 0.05 0.26 -0.05 0.66 -1.64 0.00 0.00 178.16 177.44 3g5a h SER 208 N 0.54 0.00 -0.97 -2.11 4.64 -0.94 0.21 113.55 114.93 3g5a h SER 208 Ca 0.35 0.00 -0.32 0.00 -0.47 0.00 0.00 61.79 61.35 3g5a h SER 208 Cb 0.61 0.00 -0.11 0.00 -0.31 0.00 0.00 62.40 62.59 3g5a h SER 208 CO -0.12 0.05 -0.31 -3.20 -0.87 0.00 0.00 176.83 172.38 3g5a n ASN 209 N -4.09 -4.86 -4.83 4.97 5.15 -1.14 -4.48 115.26 105.99 3g5a n ASN 209 Ca -0.03 0.33 -0.33 0.00 -0.60 0.00 0.00 54.58 53.95 3g5a n ASN 209 Cb 0.14 -3.77 -0.07 0.00 -0.53 0.00 0.00 39.78 35.55 3g5a n ASN 209 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3g5a s GLU 210 N -3.54 4.14 0.27 1.20 0.41 -1.26 -4.86 118.70 115.06 3g5a s GLU 210 Ca 0.00 0.92 -0.30 0.00 -0.41 0.00 0.00 54.97 55.18 3g5a s GLU 210 Cb 0.00 -2.33 -0.11 0.00 -1.78 0.00 0.00 34.13 29.91 3g5a s GLU 210 CO 0.00 0.07 1.57 -1.25 -0.49 0.00 0.00 175.26 175.16 3g5a s PRO 211 N -3.02 4.16 -0.04 0.39 0.04 -1.26 -4.98 135.00 130.30 3g5a s PRO 211 Ca 0.58 2.51 0.03 0.00 0.04 0.00 0.00 61.00 64.15 3g5a s PRO 211 Cb -0.10 -3.05 -0.03 0.00 0.04 0.00 0.00 34.50 31.36 3g5a s PRO 211 CO 0.16 -0.59 -0.12 0.42 0.04 0.00 0.00 177.00 176.91 3g5a s ILE 212 N 0.13 3.26 -0.15 0.56 1.01 -1.26 -5.07 121.20 119.69 3g5a s ILE 212 Ca 0.63 -0.71 -0.40 0.00 0.00 0.00 0.00 60.65 60.17 3g5a s ILE 212 Cb -0.46 -2.32 -0.17 0.00 0.01 0.00 0.00 42.46 39.52 3g5a s ILE 212 CO 0.45 0.55 1.51 0.00 0.00 0.00 0.00 174.94 177.44 3g5a h GLU 214 N 5.52 0.00 -0.83 0.00 4.39 -1.91 -2.19 114.58 119.56 3g5a h GLU 214 Ca -0.47 0.00 0.14 0.00 0.34 0.00 0.00 59.36 59.37 3g5a h GLU 214 Cb 1.34 0.00 -0.06 0.00 -0.10 0.00 0.00 28.75 29.93 3g5a h GLU 214 CO 0.86 0.00 0.54 -0.07 -1.16 0.00 0.00 179.01 179.18 3g5a h LEU 215 N 0.00 0.55 -0.59 1.33 3.38 -1.96 -1.62 115.31 116.40 3g5a h LEU 215 Ca 0.00 0.03 -0.12 0.00 0.09 0.00 0.00 57.88 57.88 3g5a h LEU 215 Cb 0.34 -0.08 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 3g5a h LEU 215 CO 0.00 0.29 -0.19 1.88 0.09 0.00 0.00 178.44 180.51 3g5a h TYR 216 N 0.59 1.05 -0.55 1.13 0.05 -1.58 -2.16 116.97 115.50 3g5a h TYR 216 Ca 0.41 -0.24 0.15 0.00 0.05 0.00 0.00 58.73 59.10 3g5a h TYR 216 Cb 0.73 -0.25 -0.03 0.00 1.01 0.00 0.00 36.73 38.20 3g5a h TYR 216 CO -0.00 1.02 0.39 -0.09 -1.05 0.00 0.00 178.16 178.43 3g5a h ARG 217 N 0.81 0.07 -0.52 4.88 9.65 -1.44 0.23 114.38 128.06 3g5a h ARG 217 Ca 0.11 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.99 3g5a h ARG 217 Cb 0.74 -0.02 0.00 0.00 -1.39 0.00 0.00 29.97 29.30 3g5a h ARG 217 CO 0.06 0.05 0.00 0.66 2.80 0.00 0.00 179.97 183.53 3g5a n TYR 218 N -4.40 0.69 0.00 2.20 4.01 -0.85 -4.01 117.16 114.80 3g5a n TYR 218 Ca 0.10 -0.35 0.00 0.00 -0.16 0.00 0.00 57.90 57.49 3g5a n TYR 218 Cb 0.57 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.60 3g5a n TYR 218 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g5a n GLY 219 N 1.37 0.68 3.78 2.72 0.00 -0.86 -4.65 105.19 108.24 3g5a n GLY 219 Ca 0.18 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.84 3g5a n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g5a s PHE 220 N -2.00 3.02 0.00 1.61 0.08 -0.96 -0.79 117.98 118.95 3g5a s PHE 220 Ca 0.00 1.58 0.00 0.00 0.12 0.00 0.00 56.93 58.63 3g5a s PHE 220 Cb 0.00 -3.25 0.00 0.00 -0.57 0.00 0.00 43.02 39.20 3g5a s PHE 220 CO 0.00 -1.11 0.06 0.25 -0.10 0.00 0.00 175.22 174.33 3g5a n THR 221 N -0.43 0.00 -3.71 0.64 -2.24 -1.26 -3.88 114.28 103.40 3g5a n THR 221 Ca 0.07 -0.28 -0.12 0.00 -2.27 0.00 0.00 64.05 61.45 3g5a n THR 221 Cb 0.49 1.10 -0.10 0.00 -2.10 0.00 0.00 70.33 69.72 3g5a n THR 221 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g5a s SER 222 N -0.43 -0.50 -0.26 3.42 0.15 -1.26 -4.90 113.70 109.92 3g5a s SER 222 Ca 0.00 0.92 -0.02 0.00 0.70 0.00 0.00 55.95 57.55 3g5a s SER 222 Cb 0.00 0.89 0.03 0.00 -1.71 0.00 0.00 66.02 65.23 3g5a s SER 222 CO 0.00 -0.17 -0.03 -0.76 1.20 0.00 0.00 173.24 173.48 3g5a s LEU 223 N 0.62 3.41 0.00 3.45 1.43 -1.26 -4.88 118.68 121.46 3g5a s LEU 223 Ca -0.03 -0.91 0.00 0.00 -1.03 0.00 0.00 54.13 52.15 3g5a s LEU 223 Cb -0.05 -1.70 0.00 0.00 0.03 0.00 0.00 46.19 44.47 3g5a s LEU 223 CO -0.04 -0.16 0.00 0.61 0.23 0.00 0.00 176.35 176.99 3g5a n GLY 224 N 4.69 5.58 3.87 -3.19 0.00 -1.26 -5.13 105.19 109.75 3g5a n GLY 224 Ca -0.16 -1.92 -0.30 0.00 0.00 0.00 0.00 46.02 43.64 3g5a n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g5a s ASN 225 N 0.67 5.48 0.45 1.61 2.20 -1.26 -4.64 114.94 119.45 3g5a s ASN 225 Ca 0.00 1.22 0.21 0.00 -0.94 0.00 0.00 52.86 53.35 3g5a s ASN 225 Cb 0.00 -2.06 1.18 0.00 -2.00 0.00 0.00 41.25 38.37 3g5a s ASN 225 CO 0.00 -1.33 1.87 0.58 -2.94 0.00 0.00 177.10 175.28 3g5a h VAL 226 N -0.64 0.66 -0.01 3.54 2.07 -1.00 -1.57 116.25 119.29 3g5a h VAL 226 Ca -0.45 -0.10 0.00 0.00 0.82 0.00 0.00 66.70 66.97 3g5a h VAL 226 Cb 1.24 0.33 0.00 0.00 -1.52 0.00 0.00 31.29 31.34 3g5a h VAL 226 CO 0.63 0.06 -0.33 -0.62 0.02 0.00 0.00 177.57 177.32 3g5a n GLU 227 N -4.46 0.93 0.00 1.57 -0.58 -1.26 -4.23 120.64 112.61 3g5a n GLU 227 Ca 0.19 -0.63 0.00 0.00 -0.42 0.00 0.00 57.16 56.30 3g5a n GLU 227 Cb 0.74 -1.49 0.00 0.00 -0.57 0.00 0.00 31.44 30.13 3g5a n GLU 227 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3g5a n GLU 228 N -0.49 1.45 -4.54 3.49 1.02 -0.62 -5.03 120.64 115.92 3g5a n GLU 228 Ca 0.11 -1.04 -0.23 0.00 -0.02 0.00 0.00 57.16 55.98 3g5a n GLU 228 Cb 0.38 -0.91 -0.16 0.00 -0.02 0.00 0.00 31.44 30.73 3g5a n GLU 228 CO 0.00 0.00 0.00 0.99 1.18 0.00 0.00 177.13 179.30 3g5a s THR 229 N -0.57 1.04 0.09 2.62 2.01 -1.04 -4.26 115.64 115.53 3g5a s THR 229 Ca 0.00 -0.46 0.01 0.00 0.31 0.00 0.00 61.69 61.55 3g5a s THR 229 Cb 0.00 -0.94 -0.04 0.00 0.01 0.00 0.00 72.50 71.53 3g5a s THR 229 CO 0.00 0.32 -0.06 -0.76 -0.69 0.00 0.00 174.62 173.43 3g5a s LEU 230 N 0.42 2.49 0.66 4.42 1.43 -0.14 -4.92 118.68 123.04 3g5a s LEU 230 Ca -0.09 -0.97 -0.17 0.00 -1.03 0.00 0.00 54.13 51.87 3g5a s LEU 230 Cb -0.13 -0.05 -0.06 0.00 0.03 0.00 0.00 46.19 45.98 3g5a s LEU 230 CO 0.02 -0.46 0.52 -2.65 0.23 0.00 0.00 176.35 174.01 3g5a n PRO 231 N 0.08 0.40 -2.16 1.29 -0.02 -1.26 -4.47 135.00 128.86 3g5a n PRO 231 Ca -0.13 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.10 3g5a n PRO 231 Cb 0.60 -1.77 -0.03 0.00 -0.02 0.00 0.00 33.50 32.29 3g5a n PRO 231 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g5a s ASN 232 N -1.33 6.78 0.53 2.55 3.84 0.03 -4.59 114.94 122.75 3g5a s ASN 232 Ca 0.67 2.09 0.24 0.00 0.21 0.00 0.00 52.86 56.07 3g5a s ASN 232 Cb -0.39 -2.54 1.38 0.00 -0.55 0.00 0.00 41.25 39.14 3g5a s ASN 232 CO 0.56 -0.82 2.01 1.55 -2.79 0.00 0.00 177.10 177.62 3g5a h PRO 233 N 8.63 0.01 0.00 0.43 0.13 -1.89 -0.26 132.00 139.05 3g5a h PRO 233 Ca -0.36 -0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 3g5a h PRO 233 Cb 1.16 -0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.29 3g5a h PRO 233 CO 0.94 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.43 3g5a n HIS 234 N -4.40 0.08 0.39 1.56 8.25 -1.26 -2.42 115.22 117.43 3g5a n HIS 234 Ca 0.08 0.03 0.11 0.00 -0.26 0.00 0.00 57.72 57.68 3g5a n HIS 234 Cb 0.54 -0.55 0.17 0.00 1.12 0.00 0.00 29.99 31.28 3g5a n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g5a n LEU 235 N -1.57 3.17 -4.72 2.41 4.77 -0.11 -4.98 117.00 115.98 3g5a n LEU 235 Ca 0.05 -1.40 -0.42 0.00 -0.03 0.00 0.00 56.01 54.21 3g5a n LEU 235 Cb 0.25 -0.18 -0.03 0.00 -2.33 0.00 0.00 43.42 41.14 3g5a n LEU 235 CO 0.20 0.66 1.12 -0.60 -1.33 0.00 0.00 177.39 177.44 3g5a s ARG 236 N -1.46 4.28 0.25 3.23 3.52 -1.02 -0.84 118.95 126.93 3g5a s ARG 236 Ca 0.33 2.18 -0.30 0.00 -0.13 0.00 0.00 55.73 57.81 3g5a s ARG 236 Cb 0.20 -3.21 -0.09 0.00 -1.56 0.00 0.00 34.95 30.29 3g5a s ARG 236 CO 0.28 -0.49 1.01 0.15 -0.81 0.00 0.00 175.30 175.44 3g5a s LYS 237 N 1.05 4.76 -0.12 5.12 1.02 0.17 -4.91 119.74 126.82 3g5a s LYS 237 Ca 0.66 1.63 -0.12 0.00 0.02 0.00 0.00 55.97 58.17 3g5a s LYS 237 Cb -0.39 -3.24 0.03 0.00 -0.52 0.00 0.00 37.83 33.71 3g5a s LYS 237 CO 0.31 0.37 0.34 0.34 -0.92 0.00 0.00 175.35 175.79 3g5a s ASP 238 N -1.00 -0.35 0.25 2.83 2.15 -1.26 -4.69 116.67 114.60 3g5a s ASP 238 Ca 0.43 0.66 -0.03 0.00 0.43 0.00 0.00 52.55 54.03 3g5a s ASP 238 Cb -0.29 0.68 0.41 0.00 -0.30 0.00 0.00 42.92 43.42 3g5a s ASP 238 CO 0.36 -0.13 1.83 0.11 -0.17 0.00 0.00 175.17 177.17 3g5a h LYS 239 N 5.54 0.90 -0.53 4.34 1.57 -2.01 -3.15 116.57 123.22 3g5a h LYS 239 Ca -0.26 -0.05 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3g5a h LYS 239 Cb 1.19 -0.20 0.00 0.00 0.08 0.00 0.00 32.23 33.29 3g5a h LYS 239 CO 0.30 0.59 0.00 0.09 -0.57 0.00 0.00 179.45 179.86 3g5a n ASN 240 N -4.66 2.69 -4.24 0.86 3.02 -1.26 -4.86 115.26 106.81 3g5a n ASN 240 Ca 0.14 -2.17 -0.23 0.00 -0.03 0.00 0.00 54.58 52.29 3g5a n ASN 240 Cb 0.25 -0.38 -0.13 0.00 -0.61 0.00 0.00 39.78 38.91 3g5a n ASN 240 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 3g5a s SER 241 N -0.82 2.29 0.08 6.41 1.04 -1.19 -5.10 113.70 116.41 3g5a s SER 241 Ca 0.29 -0.59 -0.34 0.00 0.48 0.00 0.00 55.95 55.78 3g5a s SER 241 Cb 0.17 -0.15 -0.13 0.00 0.10 0.00 0.00 66.02 66.02 3g5a s SER 241 CO 0.16 0.07 1.66 0.41 0.98 0.00 0.00 173.24 176.52 3g5a n THR 242 N 1.47 0.18 -1.69 2.02 -1.04 -1.26 -4.86 114.28 109.10 3g5a n THR 242 Ca -0.19 -0.03 -0.41 0.00 -2.04 0.00 0.00 64.05 61.38 3g5a n THR 242 Cb 0.54 -1.61 0.02 0.00 -1.82 0.00 0.00 70.33 67.45 3g5a n THR 242 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 3g5a n PRO 243 N 4.40 1.78 -2.37 -2.82 -0.02 -1.26 -4.97 135.00 129.74 3g5a n PRO 243 Ca 0.19 0.64 -0.34 0.00 -2.02 0.00 0.00 63.50 61.96 3g5a n PRO 243 Cb 0.29 -2.35 -0.01 0.00 -0.02 0.00 0.00 33.50 31.40 3g5a n PRO 243 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 3g5a s LEU 244 N -1.77 3.78 0.04 2.45 1.43 -1.26 -5.05 118.68 118.31 3g5a s LEU 244 Ca 0.63 2.06 0.02 0.00 -1.03 0.00 0.00 54.13 55.81 3g5a s LEU 244 Cb -0.50 -4.57 -0.04 0.00 0.03 0.00 0.00 46.19 41.11 3g5a s LEU 244 CO 0.56 -1.03 0.04 -0.54 0.23 0.00 0.00 176.35 175.62 3g5a s LYS 245 N -3.29 2.83 -0.13 1.70 1.02 -1.26 -5.10 119.74 115.51 3g5a s LYS 245 Ca 0.70 -0.66 -0.18 0.00 0.02 0.00 0.00 55.97 55.85 3g5a s LYS 245 Cb -0.20 -2.70 -0.04 0.00 -0.52 0.00 0.00 37.83 34.36 3g5a s LYS 245 CO 0.24 0.59 0.47 -1.17 -0.92 0.00 0.00 175.35 174.57 3g5a s LEU 246 N -2.02 4.27 0.00 3.17 2.96 -1.26 -4.94 118.68 120.85 3g5a s LEU 246 Ca 0.25 0.80 0.25 0.00 -0.22 0.00 0.00 54.13 55.20 3g5a s LEU 246 Cb -0.12 -2.69 0.55 0.00 0.50 0.00 0.00 46.19 44.43 3g5a s LEU 246 CO 0.17 -0.01 1.44 0.59 -1.32 0.00 0.00 176.35 177.21 3g5a n ASN 247 N 3.75 0.68 -0.33 3.68 3.02 -1.26 -4.47 115.26 120.32 3g5a n ASN 247 Ca -0.07 -0.47 0.08 0.00 -0.03 0.00 0.00 54.58 54.09 3g5a n ASN 247 Cb 0.52 0.25 0.16 0.00 -0.61 0.00 0.00 39.78 40.09 3g5a n ASN 247 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g5a n PHE 248 N -1.25 0.00 -0.11 3.10 3.72 -1.26 -4.74 117.46 116.91 3g5a n PHE 248 Ca 0.07 -1.17 -0.05 0.00 -0.05 0.00 0.00 57.45 56.25 3g5a n PHE 248 Cb 0.34 -0.19 0.02 0.00 -0.94 0.00 0.00 39.48 38.71 3g5a n PHE 248 CO 0.00 0.00 0.00 0.93 -0.05 0.00 0.00 176.76 177.64 3g5a h GLU 249 N 0.44 0.17 -0.03 -1.08 5.08 -2.00 -1.89 114.58 115.27 3g5a h GLU 249 Ca -0.00 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.36 3g5a h GLU 249 Cb 1.03 -0.04 -0.02 0.00 0.50 0.00 0.00 28.75 30.22 3g5a h GLU 249 CO 0.00 0.11 -0.07 2.35 -1.00 0.00 0.00 179.01 180.40 3g5a h TRP 250 N 0.17 -0.18 -0.86 4.33 7.01 -1.96 -0.80 115.95 123.67 3g5a h TRP 250 Ca 0.18 0.01 0.07 0.00 2.11 0.00 0.00 58.89 61.27 3g5a h TRP 250 Cb 0.23 0.08 -0.07 0.00 -2.10 0.00 0.00 29.16 27.30 3g5a h TRP 250 CO -0.21 -0.11 0.52 0.93 -2.79 0.00 0.00 178.44 176.78 3g5a h GLU 251 N -0.11 0.89 -0.03 2.65 3.07 -1.86 0.18 114.58 119.38 3g5a h GLU 251 Ca 0.04 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 58.84 3g5a h GLU 251 Cb 0.17 -0.20 -0.00 0.00 -0.84 0.00 0.00 28.75 27.87 3g5a h GLU 251 CO -0.10 0.59 -0.01 0.82 -1.40 0.00 0.00 179.01 178.91 3g5a h ILE 252 N 0.92 1.33 -0.49 3.13 2.04 -1.05 -0.35 117.51 123.04 3g5a h ILE 252 Ca 0.39 -0.99 -0.08 0.00 1.00 0.00 0.00 64.86 65.18 3g5a h ILE 252 Cb 0.24 1.94 -0.02 0.00 -0.74 0.00 0.00 36.82 38.24 3g5a h ILE 252 CO -0.20 0.26 -0.01 -0.33 0.00 0.00 0.00 178.15 177.88 3g5a h GLU 253 N -0.34 0.81 -0.57 2.37 5.08 -0.92 -2.98 114.58 118.04 3g5a h GLU 253 Ca 0.01 -0.22 0.00 0.00 -1.00 0.00 0.00 59.36 58.14 3g5a h GLU 253 Cb 0.43 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.59 3g5a h GLU 253 CO 0.00 0.82 0.00 0.09 -1.00 0.00 0.00 179.01 178.92 3g5a n ASN 254 N -4.21 5.35 -4.53 1.42 4.13 0.62 -5.03 115.26 113.02 3g5a n ASN 254 Ca 0.02 -2.81 -0.37 0.00 1.68 0.00 0.00 54.58 53.10 3g5a n ASN 254 Cb 0.31 -0.65 0.06 0.00 -1.54 0.00 0.00 39.78 37.96 3g5a n ASN 254 CO 0.00 0.00 0.00 -2.11 0.28 0.00 0.00 177.26 175.43 3g5a n ARG 255 N 0.66 0.55 -1.70 3.52 1.85 -0.14 -4.81 116.66 116.58 3g5a n ARG 255 Ca 0.27 0.23 -0.42 0.00 -1.00 0.00 0.00 57.85 56.92 3g5a n ARG 255 Cb 1.10 -1.94 -0.03 0.00 -1.05 0.00 0.00 32.46 30.54 3g5a n ARG 255 CO 0.00 0.00 0.00 -0.47 -0.01 0.00 0.00 177.63 177.15 3g5a s TYR 256 N -1.73 1.34 0.42 2.89 5.04 0.73 -4.95 117.35 121.09 3g5a s TYR 256 Ca 0.71 -0.06 -0.24 0.00 -2.44 0.00 0.00 57.07 55.04 3g5a s TYR 256 Cb -0.39 -4.12 -0.08 0.00 0.35 0.00 0.00 41.96 37.71 3g5a s TYR 256 CO 0.52 -4.86 1.10 0.15 -1.34 0.00 0.00 175.55 171.12 3g5a s LYS 257 N 5.02 4.03 0.48 4.97 1.02 -1.26 -4.63 119.74 129.36 3g5a s LYS 257 Ca 0.90 1.62 0.07 0.00 0.02 0.00 0.00 55.97 58.59 3g5a s LYS 257 Cb -0.38 -2.51 0.02 0.00 -0.52 0.00 0.00 37.83 34.43 3g5a s LYS 257 CO 0.38 -0.28 0.47 -1.01 -0.92 0.00 0.00 175.35 173.99 3g5a s HIS 258 N -1.60 2.21 0.00 3.18 3.76 -1.26 -5.09 115.29 116.49 3g5a s HIS 258 Ca 0.59 -0.62 0.00 0.00 -0.15 0.00 0.00 55.06 54.89 3g5a s HIS 258 Cb -0.25 -2.13 0.00 0.00 1.11 0.00 0.00 32.58 31.31 3g5a s HIS 258 CO 0.31 -0.42 0.00 0.27 -0.85 0.00 0.00 174.74 174.05 3g5a n ASN 259 N -1.75 1.46 -0.08 1.40 0.23 -1.26 -4.91 115.26 110.34 3g5a n ASN 259 Ca 0.05 -0.38 -0.02 0.00 -0.53 0.00 0.00 54.58 53.70 3g5a n ASN 259 Cb 0.62 0.00 0.23 0.00 -2.08 0.00 0.00 39.78 38.55 3g5a n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3g5a h GLU 260 N 0.00 0.72 -0.26 -3.83 5.08 -2.01 -1.34 114.58 112.94 3g5a h GLU 260 Ca 0.00 -0.15 -0.16 0.00 -1.00 0.00 0.00 59.36 58.05 3g5a h GLU 260 Cb 0.00 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.14 3g5a h GLU 260 CO 0.00 0.68 -0.46 0.28 -1.00 0.00 0.00 179.01 178.51 3g5a h VAL 261 N 0.69 1.30 -0.11 3.13 2.07 -2.03 -3.36 116.25 117.95 3g5a h VAL 261 Ca 0.15 -1.66 0.00 0.00 0.82 0.00 0.00 66.70 66.02 3g5a h VAL 261 Cb 0.31 1.71 0.00 0.00 -1.52 0.00 0.00 31.29 31.79 3g5a h VAL 261 CO 0.00 0.53 0.00 0.35 0.02 0.00 0.00 177.57 178.47 3g5a n THR 262 N -4.13 0.14 -1.52 2.57 -2.24 -1.17 -4.89 114.28 103.03 3g5a n THR 262 Ca -0.05 -0.57 -0.52 0.00 -2.27 0.00 0.00 64.05 60.64 3g5a n THR 262 Cb 0.57 1.30 -0.05 0.00 -2.10 0.00 0.00 70.33 70.05 3g5a n THR 262 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g5a n LYS 263 N 1.17 0.59 -3.75 -0.78 4.81 -0.51 -4.72 118.16 114.96 3g5a n LYS 263 Ca 0.13 0.21 -0.37 0.00 -0.87 0.00 0.00 58.31 57.42 3g5a n LYS 263 Cb 0.52 -1.62 -0.12 0.00 0.02 0.00 0.00 35.03 33.83 3g5a n LYS 263 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g5a s ALA 264 N -0.26 3.21 0.33 3.14 0.00 -1.26 -5.03 121.76 121.89 3g5a s ALA 264 Ca 0.77 -1.11 -0.27 0.00 0.00 0.00 0.00 51.96 51.35 3g5a s ALA 264 Cb -1.00 -2.11 -0.09 0.00 0.00 0.00 0.00 23.12 19.92 3g5a s ALA 264 CO 0.54 -0.46 1.08 -1.21 0.00 0.00 0.00 175.76 175.71 3g5a s GLU 265 N 1.57 4.43 0.25 0.00 0.41 -1.26 -5.01 118.70 119.09 3g5a s GLU 265 Ca 0.06 1.69 -0.30 0.00 -0.41 0.00 0.00 54.97 56.01 3g5a s GLU 265 Cb -0.15 -2.91 -0.09 0.00 -1.78 0.00 0.00 34.13 29.19 3g5a s GLU 265 CO 0.04 0.05 1.26 -1.25 -0.49 0.00 0.00 175.26 174.87 3g5a s PRO 266 N -1.89 4.44 -0.48 0.39 0.04 -1.26 -4.86 135.00 131.38 3g5a s PRO 266 Ca 0.50 2.03 -0.03 0.00 0.04 0.00 0.00 61.00 63.54 3g5a s PRO 266 Cb -0.28 -3.17 0.13 0.00 0.04 0.00 0.00 34.50 31.22 3g5a s PRO 266 CO 0.36 -0.13 0.29 0.42 0.04 0.00 0.00 177.00 177.98 3g5a s ILE 267 N -0.49 3.48 0.73 0.56 1.01 -1.26 -5.09 121.20 120.14 3g5a s ILE 267 Ca 0.52 -2.34 -0.11 0.00 0.00 0.00 0.00 60.65 58.71 3g5a s ILE 267 Cb -0.36 -3.34 0.03 0.00 0.01 0.00 0.00 42.46 38.80 3g5a s ILE 267 CO 0.43 -0.76 1.08 -2.16 0.00 0.00 0.00 174.94 173.53 3g5a s PRO 268 N 0.76 2.63 0.47 2.79 0.04 -1.26 -4.60 135.00 135.82 3g5a s PRO 268 Ca 0.11 0.68 -0.23 0.00 0.04 0.00 0.00 61.00 61.59 3g5a s PRO 268 Cb -0.22 -1.98 -0.07 0.00 0.04 0.00 0.00 34.50 32.27 3g5a s PRO 268 CO -0.04 -1.25 1.25 -1.50 0.04 0.00 0.00 177.00 175.51 3g5a s ILE 269 N -3.19 2.70 0.33 0.56 2.07 -1.26 -4.92 121.20 117.50 3g5a s ILE 269 Ca 0.59 0.55 -0.27 0.00 -1.41 0.00 0.00 60.65 60.10 3g5a s ILE 269 Cb -0.13 -3.29 -0.09 0.00 0.13 0.00 0.00 42.46 39.08 3g5a s ILE 269 CO 0.54 0.01 1.13 0.00 -1.91 0.00 0.00 174.94 174.72 3g5a s ALA 270 N -1.41 3.31 0.22 1.50 0.00 -1.26 -4.91 121.76 119.20 3g5a s ALA 270 Ca 0.64 0.93 -0.08 0.00 0.00 0.00 0.00 51.96 53.45 3g5a s ALA 270 Cb -0.34 -3.35 0.25 0.00 0.00 0.00 0.00 23.12 19.68 3g5a s ALA 270 CO 0.42 -0.32 1.83 -0.44 0.00 0.00 0.00 175.76 177.24 3g5a h ASP 271 N 3.27 0.66 -0.45 0.00 3.32 -1.99 -0.54 116.42 120.70 3g5a h ASP 271 Ca -0.48 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.59 3g5a h ASP 271 Cb 1.22 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.63 3g5a h ASP 271 CO 0.65 0.43 0.27 1.05 -1.72 0.00 0.00 179.24 179.93 3g5a h GLU 272 N 0.80 0.62 -0.03 3.56 4.11 -2.00 -0.57 114.58 121.06 3g5a h GLU 272 Ca 0.31 -0.05 -0.09 0.00 0.07 0.00 0.00 59.36 59.61 3g5a h GLU 272 Cb 0.14 -0.13 0.01 0.00 0.50 0.00 0.00 28.75 29.27 3g5a h GLU 272 CO -0.16 0.44 -0.31 -0.44 0.07 0.00 0.00 179.01 178.60 3g5a h ASP 273 N 0.63 0.33 -0.10 3.06 3.32 -1.77 -2.98 116.42 118.91 3g5a h ASP 273 Ca 0.17 -0.70 0.04 0.00 0.02 0.00 0.00 57.03 56.55 3g5a h ASP 273 Cb -0.02 -0.10 -0.06 0.00 0.22 0.00 0.00 39.33 39.37 3g5a h ASP 273 CO -0.03 0.99 -0.37 0.25 -1.72 0.00 0.00 179.24 178.36 3g5a h LEU 274 N -0.29 -1.14 -0.63 1.55 5.85 -0.87 0.95 115.31 120.73 3g5a h LEU 274 Ca -0.03 0.15 0.13 0.00 0.84 0.00 0.00 57.88 58.97 3g5a h LEU 274 Cb 1.01 0.47 -0.09 0.00 0.37 0.00 0.00 40.66 42.41 3g5a h LEU 274 CO 0.06 -0.40 0.11 0.58 -0.34 0.00 0.00 178.44 178.45 3g5a h VAL 275 N -0.47 0.58 -0.39 1.05 2.07 -1.21 0.19 116.25 118.08 3g5a h VAL 275 Ca 0.08 -0.08 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 3g5a h VAL 275 Cb 0.59 0.33 -0.02 0.00 -1.52 0.00 0.00 31.29 30.68 3g5a h VAL 275 CO -0.35 0.04 0.13 0.50 0.02 0.00 0.00 177.57 177.91 3g5a h LYS 276 N 0.23 0.60 -0.31 1.57 3.64 -1.22 -2.59 116.57 118.50 3g5a h LYS 276 Ca 0.34 -0.13 -0.16 0.00 -1.27 0.00 0.00 60.65 59.43 3g5a h LYS 276 Cb 0.53 -0.09 -0.00 0.00 -0.41 0.00 0.00 32.23 32.25 3g5a h LYS 276 CO -0.45 0.60 -0.43 0.82 -2.27 0.00 0.00 179.45 177.72 3g5a h ILE 277 N 0.49 1.29 0.00 2.00 2.04 -0.24 -3.07 117.51 120.01 3g5a h ILE 277 Ca 0.13 -1.61 -0.03 0.00 1.00 0.00 0.00 64.86 64.35 3g5a h ILE 277 Cb 0.24 1.58 -0.00 0.00 -0.74 0.00 0.00 36.82 37.90 3g5a h ILE 277 CO -0.01 0.52 -0.15 -0.08 0.00 0.00 0.00 178.15 178.44 3g5a h GLU 278 N 0.60 0.00 -1.00 2.37 4.81 -0.66 -2.44 114.58 118.25 3g5a h GLU 278 Ca 0.03 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.74 3g5a h GLU 278 Cb 1.02 0.00 -0.30 0.00 0.63 0.00 0.00 28.75 30.10 3g5a h GLU 278 CO 0.10 0.15 0.66 0.09 -0.73 0.00 0.00 179.01 179.28 3g5a n ASN 279 N -3.99 4.00 0.10 1.04 3.02 -0.98 -4.47 115.26 113.98 3g5a n ASN 279 Ca -0.02 -3.59 0.11 0.00 -0.03 0.00 0.00 54.58 51.05 3g5a n ASN 279 Cb 0.23 -0.84 0.00 0.00 -0.61 0.00 0.00 39.78 38.56 3g5a n ASN 279 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3g5a n LEU 280 N -1.10 0.83 -0.37 3.41 4.77 -0.92 -4.97 117.00 118.66 3g5a n LEU 280 Ca 0.59 0.32 -0.05 0.00 -0.03 0.00 0.00 56.01 56.84 3g5a n LEU 280 Cb 1.59 -0.06 -0.02 0.00 -2.33 0.00 0.00 43.42 42.60 3g5a n LEU 280 CO 0.61 -0.18 -0.05 1.41 -1.33 0.00 0.00 177.39 177.85 3g5a n HIS 281 N -2.65 0.00 -3.87 -1.77 8.25 -1.26 -5.00 115.22 108.92 3g5a n HIS 281 Ca -0.00 0.00 -0.12 0.00 -0.26 0.00 0.00 57.72 57.34 3g5a n HIS 281 Cb 0.55 -1.22 -0.13 0.00 1.12 0.00 0.00 29.99 30.31 3g5a n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g5a s GLU 282 N -2.02 0.13 0.17 -0.41 0.41 -1.26 -5.17 118.70 110.56 3g5a s GLU 282 Ca 0.00 -0.05 0.07 0.00 -0.41 0.00 0.00 54.97 54.58 3g5a s GLU 282 Cb 0.00 0.06 -0.04 0.00 -1.78 0.00 0.00 34.13 32.37 3g5a s GLU 282 CO 0.00 -0.02 0.03 0.34 -0.49 0.00 0.00 175.26 175.12 3g5a s ASP 283 N -0.28 4.96 -0.00 -0.19 2.15 -1.26 -4.99 116.67 117.06 3g5a s ASP 283 Ca -0.03 -0.33 0.04 0.00 0.43 0.00 0.00 52.55 52.66 3g5a s ASP 283 Cb -0.02 -1.12 -0.01 0.00 -0.30 0.00 0.00 42.92 41.46 3g5a s ASP 283 CO 0.00 0.08 -0.14 -0.31 -0.17 0.00 0.00 175.17 174.64 3g5a s TYR 284 N -1.74 1.21 0.68 -5.34 2.02 -1.26 -0.66 117.35 112.25 3g5a s TYR 284 Ca 0.28 -0.24 -0.17 0.00 -0.37 0.00 0.00 57.07 56.57 3g5a s TYR 284 Cb -0.09 -0.77 -0.01 0.00 -0.40 0.00 0.00 41.96 40.69 3g5a s TYR 284 CO 0.20 -0.01 1.09 0.66 -1.57 0.00 0.00 175.55 175.91 3g5a n TYR 285 N 2.63 1.14 -1.14 2.71 4.01 -0.02 -4.65 117.16 121.86 3g5a n TYR 285 Ca -0.15 0.41 -0.32 0.00 -0.16 0.00 0.00 57.90 57.69 3g5a n TYR 285 Cb 0.55 -2.15 0.12 0.00 -0.31 0.00 0.00 39.34 37.54 3g5a n TYR 285 CO 0.00 0.00 0.00 -1.25 -0.46 0.00 0.00 176.86 175.15 3g5a s PRO 286 N -3.27 1.83 0.41 -0.72 0.04 -1.26 -3.69 135.00 128.34 3g5a s PRO 286 Ca 0.77 1.46 0.21 0.00 0.04 0.00 0.00 61.00 63.48 3g5a s PRO 286 Cb -0.37 -1.83 1.19 0.00 0.04 0.00 0.00 34.50 33.53 3g5a s PRO 286 CO 0.46 -2.01 1.73 0.78 0.04 0.00 0.00 177.00 178.00 3g5a h GLY 287 N -1.11 1.23 0.87 0.56 0.00 -0.67 -0.40 103.07 103.55 3g5a h GLY 287 Ca -0.45 -0.18 0.00 0.00 0.00 0.00 0.00 47.33 46.70 3g5a h GLY 287 CO 0.48 -0.21 0.00 -2.67 0.00 0.00 0.00 176.54 174.14 3g5a n TRP 288 N -4.65 0.00 1.29 5.60 2.14 -1.26 -0.79 117.44 119.77 3g5a n TRP 288 Ca 0.28 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.99 3g5a n TRP 288 Cb 1.02 0.00 0.70 0.00 -0.81 0.00 0.00 31.31 32.22 3g5a n TRP 288 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3g5a n TYR 289 N -0.94 0.00 -3.73 -2.67 4.02 -0.16 -4.69 117.16 108.99 3g5a n TYR 289 Ca 0.14 0.00 -0.36 0.00 -0.01 0.00 0.00 57.90 57.67 3g5a n TYR 289 Cb 0.06 -0.33 -0.10 0.00 -0.02 0.00 0.00 39.34 38.96 3g5a n TYR 289 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3g5a s LEU 290 N -2.65 4.03 0.00 7.72 2.96 0.03 -4.92 118.68 125.84 3g5a s LEU 290 Ca 0.25 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 54.25 3g5a s LEU 290 Cb 0.19 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.81 3g5a s LEU 290 CO 0.45 0.08 0.40 1.33 -1.32 0.00 0.00 176.35 177.30 3g5a n VAL 291 N 4.15 0.06 -2.79 1.68 0.24 -1.26 -4.73 118.33 115.68 3g5a n VAL 291 Ca -0.15 -0.39 -0.43 0.00 -2.04 0.00 0.00 64.34 61.33 3g5a n VAL 291 Cb 0.52 1.23 -0.04 0.00 -1.47 0.00 0.00 33.84 34.08 3g5a n VAL 291 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g5a s ASP 292 N -0.06 6.40 0.45 -1.34 -1.08 -1.26 -4.33 116.67 115.46 3g5a s ASP 292 Ca 0.00 -0.14 0.19 0.00 -0.52 0.00 0.00 52.55 52.08 3g5a s ASP 292 Cb 0.00 -2.46 1.16 0.00 -1.46 0.00 0.00 42.92 40.16 3g5a s ASP 292 CO 0.00 -1.22 1.91 0.44 0.52 0.00 0.00 175.17 176.82 3g5a h ASP 293 N 9.29 0.29 0.39 -0.34 3.32 -1.99 -1.18 116.42 126.19 3g5a h ASP 293 Ca -0.25 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.82 3g5a h ASP 293 Cb 1.07 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.59 3g5a h ASP 293 CO 1.09 0.14 0.00 0.29 -1.72 0.00 0.00 179.24 179.04 3g5a n LYS 294 N -4.45 0.12 -0.02 3.56 5.02 -1.26 -2.44 118.16 118.70 3g5a n LYS 294 Ca 0.15 0.47 0.02 0.00 -2.02 0.00 0.00 58.31 56.93 3g5a n LYS 294 Cb 0.63 -1.79 0.03 0.00 -0.02 0.00 0.00 35.03 33.87 3g5a n LYS 294 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g5a n LEU 295 N -2.04 1.59 -0.33 -0.35 4.77 -0.45 -4.73 117.00 115.46 3g5a n LEU 295 Ca 0.01 -1.22 0.12 0.00 -0.03 0.00 0.00 56.01 54.89 3g5a n LEU 295 Cb 0.13 -0.02 0.33 0.00 -2.33 0.00 0.00 43.42 41.53 3g5a n LEU 295 CO 0.13 0.36 1.21 -0.08 -1.33 0.00 0.00 177.39 177.69 3g5a h GLU 296 N 0.87 0.76 -0.64 3.23 4.81 -1.41 0.06 114.58 122.26 3g5a h GLU 296 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g5a h GLU 296 Cb 0.28 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.49 3g5a h GLU 296 CO 0.00 0.50 0.00 0.54 -0.73 0.00 0.00 179.01 179.32 3g5a n ARG 297 N -4.66 3.83 0.31 1.92 1.74 -1.26 -4.03 116.66 114.51 3g5a n ARG 297 Ca 0.21 -2.71 0.19 0.00 -0.77 0.00 0.00 57.85 54.77 3g5a n ARG 297 Cb 0.51 -1.95 1.03 0.00 -1.02 0.00 0.00 32.46 31.02 3g5a n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g5a h ALA 298 N 3.98 1.29 -0.26 7.54 0.00 -1.30 0.12 119.26 130.64 3g5a h ALA 298 Ca 0.00 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 3g5a h ALA 298 Cb 1.50 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.30 3g5a h ALA 298 CO 0.28 -0.13 0.00 0.41 0.00 0.00 0.00 179.25 179.81 3g5a n GLY 299 N -1.20 0.58 0.00 0.00 0.00 -1.26 -4.64 105.19 98.66 3g5a n GLY 299 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3g5a n GLY 299 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86