#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 2.77 0.49 5.55 1.00 -0.85 -5.00 119.30 123.26 3g5a s MET 1 Ca 0.00 -0.54 -0.23 0.00 0.00 0.00 0.00 55.69 54.92 3g5a s MET 1 Cb 0.00 -2.63 -0.08 0.00 0.00 0.00 0.00 34.83 32.12 3g5a s MET 1 CO 0.00 0.66 1.07 0.54 0.00 0.00 0.00 175.02 177.29 3g5a n ARG 2 N 2.08 1.36 -0.14 2.03 1.74 -1.26 -3.93 116.66 118.54 3g5a n ARG 2 Ca -0.18 0.49 -0.06 0.00 -0.77 0.00 0.00 57.85 57.34 3g5a n ARG 2 Cb 0.53 -2.19 0.03 0.00 -1.02 0.00 0.00 32.46 29.81 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 1.32 0.37 -0.58 0.55 5.85 -1.85 0.14 115.31 121.11 3g5a h LEU 3 Ca -0.47 0.01 0.11 0.00 0.84 0.00 0.00 57.88 58.38 3g5a h LEU 3 Cb 1.33 -0.06 -0.09 0.00 0.37 0.00 0.00 40.66 42.22 3g5a h LEU 3 CO 0.56 0.26 0.09 1.23 -0.34 0.00 0.00 178.44 180.23 3g5a h GLY 4 N 0.48 0.70 1.05 3.75 0.00 -1.91 0.45 103.07 107.59 3g5a h GLY 4 Ca 0.18 0.00 -0.13 0.00 0.00 0.00 0.00 47.33 47.39 3g5a h GLY 4 CO -0.11 -0.13 -0.26 -0.55 0.00 0.00 0.00 176.54 175.49 3g5a h ASP 5 N 0.21 0.89 -0.24 0.19 3.32 -1.69 0.23 116.42 119.32 3g5a h ASP 5 Ca 0.30 -0.43 0.03 0.00 0.02 0.00 0.00 57.03 56.95 3g5a h ASP 5 Cb 0.46 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.73 3g5a h ASP 5 CO -0.42 1.13 0.08 0.00 -1.72 0.00 0.00 179.24 178.31 3g5a h ALA 6 N 0.79 0.27 -0.63 3.45 0.00 0.01 -0.42 119.26 122.73 3g5a h ALA 6 Ca 0.08 0.03 -0.07 0.00 0.00 0.00 0.00 54.91 54.95 3g5a h ALA 6 Cb 0.83 0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.61 3g5a h ALA 6 CO 0.07 -0.34 0.12 0.00 0.00 0.00 0.00 179.25 179.10 3g5a h ALA 7 N 1.16 1.03 -0.35 0.00 0.00 0.19 -1.28 119.26 120.00 3g5a h ALA 7 Ca 0.11 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.70 3g5a h ALA 7 Cb 0.08 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g5a h ALA 7 CO -0.12 0.63 -0.06 1.49 0.00 0.00 0.00 179.25 181.19 3g5a h GLU 8 N 0.95 0.67 -0.44 0.00 4.81 -0.86 -0.58 114.58 119.13 3g5a h GLU 8 Ca 0.20 -0.24 0.04 0.00 -0.13 0.00 0.00 59.36 59.22 3g5a h GLU 8 Cb 0.38 -0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.68 3g5a h GLU 8 CO 0.01 0.81 0.21 1.25 -0.73 0.00 0.00 179.01 180.56 3g5a h LEU 9 N 0.46 0.29 -0.86 1.64 5.85 -0.83 -0.54 115.31 121.33 3g5a h LEU 9 Ca 0.09 0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.80 3g5a h LEU 9 Cb 0.55 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.52 3g5a h LEU 9 CO 0.03 0.21 0.35 0.00 -0.34 0.00 0.00 178.44 178.69 3g5a h TYR 11 N 1.16 0.41 -0.45 0.00 3.20 -0.67 -1.51 116.97 119.12 3g5a h TYR 11 Ca 0.27 0.01 -0.12 0.00 3.14 0.00 0.00 58.73 62.03 3g5a h TYR 11 Cb 0.17 -0.13 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3g5a h TYR 11 CO 0.02 0.24 -0.20 -0.91 -1.64 0.00 0.00 178.16 175.67 3g5a h ASN 12 N 0.45 0.96 0.19 -2.11 2.35 -0.64 -1.53 115.58 115.25 3g5a h ASN 12 Ca 0.16 -0.40 -0.14 0.00 -0.55 0.00 0.00 56.30 55.37 3g5a h ASN 12 Cb 0.02 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.11 3g5a h ASN 12 CO -0.08 1.14 -0.54 0.17 -1.65 0.00 0.00 177.43 176.47 3g5a h LEU 13 N 0.78 0.42 -0.21 1.61 8.10 -0.98 -0.68 115.31 124.34 3g5a h LEU 13 Ca 0.10 -0.22 -0.05 0.00 0.11 0.00 0.00 57.88 57.83 3g5a h LEU 13 Cb 0.77 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 40.86 3g5a h LEU 13 CO 0.06 0.88 -0.05 0.74 -4.11 0.00 0.00 178.44 175.96 3g5a h THR 14 N 0.29 1.28 -0.93 0.15 2.02 -1.18 -0.01 112.91 114.54 3g5a h THR 14 Ca 0.01 -1.03 0.00 0.00 0.77 0.00 0.00 66.41 66.16 3g5a h THR 14 Cb 1.04 1.54 -0.05 0.00 -1.74 0.00 0.00 68.15 68.94 3g5a h THR 14 CO 0.09 0.31 0.59 0.28 0.37 0.00 0.00 175.52 177.16 3g5a h SER 15 N 0.13 1.09 -0.37 4.18 0.02 -1.24 -0.72 113.55 116.63 3g5a h SER 15 Ca 0.05 -0.05 0.00 0.00 -0.84 0.00 0.00 61.79 60.96 3g5a h SER 15 Cb 0.49 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.74 3g5a h SER 15 CO 0.02 0.81 0.23 -1.28 -1.14 0.00 0.00 176.83 175.47 3g5a h SER 16 N 1.27 0.43 -0.67 3.07 0.87 -0.92 -1.78 113.55 115.81 3g5a h SER 16 Ca 0.34 -0.04 0.02 0.00 -1.23 0.00 0.00 61.79 60.88 3g5a h SER 16 Cb -0.10 -0.11 -0.04 0.00 -0.44 0.00 0.00 62.40 61.71 3g5a h SER 16 CO -0.07 0.34 0.42 0.22 -0.53 0.00 0.00 176.83 177.22 3g5a h TYR 17 N 0.48 0.80 0.00 2.24 3.20 -0.50 -2.50 116.97 120.69 3g5a h TYR 17 Ca 0.13 0.02 -0.02 0.00 3.14 0.00 0.00 58.73 62.00 3g5a h TYR 17 Cb -0.02 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 37.99 3g5a h TYR 17 CO -0.04 0.46 -0.11 -0.07 -1.64 0.00 0.00 178.16 176.77 3g5a h LEU 18 N 0.84 0.00 -1.32 2.82 3.38 -0.82 -2.15 115.31 118.06 3g5a h LEU 18 Ca 0.26 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.23 3g5a h LEU 18 Cb -0.01 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.74 3g5a h LEU 18 CO -0.10 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.54 3g5a n GLN 19 N -3.54 1.87 -2.06 1.13 6.02 -0.70 -4.92 117.38 115.18 3g5a n GLN 19 Ca -0.02 -1.30 -0.41 0.00 -0.01 0.00 0.00 57.00 55.26 3g5a n GLN 19 Cb 0.24 -1.42 -0.02 0.00 1.02 0.00 0.00 30.24 30.06 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 -1.77 2.69 -0.36 5.09 1.01 -0.81 -4.95 121.20 122.10 3g5a s ILE 20 Ca 0.33 0.63 -0.24 0.00 0.00 0.00 0.00 60.65 61.38 3g5a s ILE 20 Cb 0.19 -3.40 0.01 0.00 0.01 0.00 0.00 42.46 39.26 3g5a s ILE 20 CO 0.28 0.13 0.84 0.00 0.00 0.00 0.00 174.94 176.19 3g5a s ALA 21 N -0.60 3.43 -0.02 9.38 0.00 -1.26 -5.01 121.76 127.68 3g5a s ALA 21 Ca 0.54 -0.56 -0.12 0.00 0.00 0.00 0.00 51.96 51.82 3g5a s ALA 21 Cb -0.41 -3.43 0.02 0.00 0.00 0.00 0.00 23.12 19.30 3g5a s ALA 21 CO 0.49 -1.52 0.25 0.00 0.00 0.00 0.00 175.76 174.98 3g5a s ALA 22 N 3.24 -0.63 0.45 0.00 0.00 -1.26 -5.08 121.76 118.48 3g5a s ALA 22 Ca 0.34 0.25 -0.22 0.00 0.00 0.00 0.00 51.96 52.33 3g5a s ALA 22 Cb -0.13 0.01 -0.08 0.00 0.00 0.00 0.00 23.12 22.92 3g5a s ALA 22 CO 0.17 -0.23 1.07 -1.83 0.00 0.00 0.00 175.76 174.95 3g5a s GLU 23 N -1.14 3.91 0.53 0.00 -1.05 -1.26 -4.87 118.70 114.82 3g5a s GLU 23 Ca -0.12 1.51 0.29 0.00 -0.15 0.00 0.00 54.97 56.50 3g5a s GLU 23 Cb -0.05 -2.32 1.44 0.00 -0.44 0.00 0.00 34.13 32.75 3g5a s GLU 23 CO 0.03 -0.37 1.93 0.66 0.95 0.00 0.00 175.26 178.47 3g5a h SER 24 N 2.00 0.01 -0.67 0.83 4.64 -2.01 -1.24 113.55 117.11 3g5a h SER 24 Ca -0.49 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.83 3g5a h SER 24 Cb 1.23 -0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3g5a h SER 24 CO 0.60 0.00 0.00 -0.90 -0.87 0.00 0.00 176.83 175.67 3g5a n ASP 25 N -4.32 4.59 -4.90 4.97 5.68 -1.26 -4.40 116.55 116.90 3g5a n ASP 25 Ca 0.15 -2.35 -0.28 0.00 -0.50 0.00 0.00 54.79 51.80 3g5a n ASP 25 Cb 0.81 -0.56 0.02 0.00 -1.14 0.00 0.00 41.12 40.24 3g5a n ASP 25 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3g5a s SER 26 N -0.91 5.94 0.17 -1.12 1.04 -0.47 -4.95 113.70 113.40 3g5a s SER 26 Ca 0.51 0.97 -0.14 0.00 0.48 0.00 0.00 55.95 57.77 3g5a s SER 26 Cb 0.31 -2.07 0.11 0.00 0.10 0.00 0.00 66.02 64.47 3g5a s SER 26 CO 0.26 -0.88 1.79 0.40 0.98 0.00 0.00 173.24 175.79 3g5a h ILE 27 N -0.11 0.99 -0.40 -1.02 2.04 -1.93 -2.19 117.51 114.88 3g5a h ILE 27 Ca -0.46 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.23 3g5a h ILE 27 Cb 1.22 0.44 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 3g5a h ILE 27 CO 0.62 0.09 0.23 0.40 0.00 0.00 0.00 178.15 179.49 3g5a h ILE 28 N 0.50 1.14 -0.54 -0.67 2.04 -1.94 0.41 117.51 118.45 3g5a h ILE 28 Ca 0.21 -0.35 -0.05 0.00 1.00 0.00 0.00 64.86 65.67 3g5a h ILE 28 Cb 0.09 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.79 3g5a h ILE 28 CO -0.13 0.15 0.16 0.00 0.00 0.00 0.00 178.15 178.32 3g5a h ALA 29 N 1.09 0.71 -0.68 1.87 0.00 -1.73 0.55 119.26 121.07 3g5a h ALA 29 Ca 0.14 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.85 3g5a h ALA 29 Cb 0.03 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.58 3g5a h ALA 29 CO -0.02 0.38 0.40 0.37 0.00 0.00 0.00 179.25 180.37 3g5a h GLN 30 N 0.75 0.93 -0.31 0.00 4.15 -1.12 -2.19 115.11 117.31 3g5a h GLN 30 Ca 0.17 -0.08 -0.13 0.00 0.77 0.00 0.00 58.65 59.37 3g5a h GLN 30 Cb 0.29 -0.19 -0.01 0.00 0.21 0.00 0.00 27.48 27.78 3g5a h GLN 30 CO -0.00 0.66 -0.35 1.15 -1.93 0.00 0.00 178.83 178.35 3g5a h THR 31 N 0.94 1.29 -0.67 2.39 2.02 -0.32 -1.70 112.91 116.86 3g5a h THR 31 Ca 0.24 -1.51 -0.01 0.00 0.77 0.00 0.00 66.41 65.91 3g5a h THR 31 Cb -0.02 1.43 -0.03 0.00 -1.74 0.00 0.00 68.15 67.79 3g5a h THR 31 CO -0.04 0.49 0.39 1.56 0.37 0.00 0.00 175.52 178.29 3g5a h GLN 32 N 0.59 0.91 -0.47 6.66 4.20 -0.46 0.39 115.11 126.93 3g5a h GLN 32 Ca 0.06 -0.09 0.02 0.00 0.06 0.00 0.00 58.65 58.70 3g5a h GLN 32 Cb 0.88 -0.19 -0.03 0.00 0.30 0.00 0.00 27.48 28.44 3g5a h GLN 32 CO 0.08 0.66 0.29 0.00 -0.67 0.00 0.00 178.83 179.18 3g5a h ARG 33 N 0.91 0.56 -0.81 1.46 3.08 -1.30 -1.87 114.38 116.42 3g5a h ARG 33 Ca 0.24 -0.03 -0.02 0.00 0.07 0.00 0.00 59.98 60.24 3g5a h ARG 33 Cb -0.01 -0.13 -0.04 0.00 0.08 0.00 0.00 29.97 29.87 3g5a h ARG 33 CO -0.04 0.37 0.44 0.00 -1.07 0.00 0.00 179.97 179.67 3g5a h ALA 34 N 1.20 1.03 -0.37 0.04 0.00 -0.78 -1.71 119.26 118.67 3g5a h ALA 34 Ca 0.19 -0.12 0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g5a h ALA 34 Cb -0.00 -0.32 -0.03 0.00 0.00 0.00 0.00 17.79 17.44 3g5a h ALA 34 CO -0.08 0.55 0.19 0.82 0.00 0.00 0.00 179.25 180.73 3g5a h ILE 35 N 1.12 0.99 -0.72 0.00 2.04 -0.70 -1.01 117.51 119.25 3g5a h ILE 35 Ca 0.28 -0.13 -0.06 0.00 1.00 0.00 0.00 64.86 65.95 3g5a h ILE 35 Cb 0.03 0.57 -0.03 0.00 -0.74 0.00 0.00 36.82 36.65 3g5a h ILE 35 CO -0.05 0.07 0.20 0.78 0.00 0.00 0.00 178.15 179.15 3g5a h ASN 36 N 0.39 1.06 -0.07 1.72 2.35 -1.00 0.26 115.58 120.29 3g5a h ASN 36 Ca 0.15 -0.21 -0.00 0.00 -0.55 0.00 0.00 56.30 55.69 3g5a h ASN 36 Cb 0.05 -0.28 -0.00 0.00 0.05 0.00 0.00 38.32 38.14 3g5a h ASN 36 CO -0.10 1.00 0.04 0.74 -1.65 0.00 0.00 177.43 177.45 3g5a h THR 37 N 1.07 1.07 -0.49 2.81 2.02 -1.19 -1.05 112.91 117.15 3g5a h THR 37 Ca 0.23 -0.20 0.02 0.00 0.77 0.00 0.00 66.41 67.24 3g5a h THR 37 Cb 0.33 1.08 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3g5a h THR 37 CO -0.00 0.06 0.29 0.74 0.37 0.00 0.00 175.52 176.98 3g5a h THR 38 N 0.03 1.04 -0.96 3.16 2.02 -0.72 -1.99 112.91 115.49 3g5a h THR 38 Ca 0.02 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 67.03 3g5a h THR 38 Cb 0.07 0.41 -0.05 0.00 -1.74 0.00 0.00 68.15 66.84 3g5a h THR 38 CO -0.00 0.11 0.63 0.11 0.37 0.00 0.00 175.52 176.73 3g5a h LYS 39 N 0.58 1.20 -0.20 6.66 1.57 -0.31 -2.13 116.57 123.95 3g5a h LYS 39 Ca 0.20 -0.07 -0.02 0.00 -1.87 0.00 0.00 60.65 58.89 3g5a h LYS 39 Cb 0.03 -0.27 -0.01 0.00 0.08 0.00 0.00 32.23 32.06 3g5a h LYS 39 CO -0.09 0.79 0.04 1.03 -0.57 0.00 0.00 179.45 180.65 3g5a h SER 40 N 1.23 0.30 -0.86 0.86 0.87 -0.85 0.18 113.55 115.30 3g5a h SER 40 Ca 0.37 -0.24 0.08 0.00 -1.23 0.00 0.00 61.79 60.77 3g5a h SER 40 Cb -0.04 -0.08 -0.07 0.00 -0.44 0.00 0.00 62.40 61.77 3g5a h SER 40 CO -0.11 0.47 0.52 0.40 -0.53 0.00 0.00 176.83 177.58 3g5a h ILE 41 N 0.12 0.98 0.10 2.23 2.04 -1.13 0.22 117.51 122.07 3g5a h ILE 41 Ca 0.06 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.61 3g5a h ILE 41 Cb 0.29 -0.00 0.00 0.00 -0.74 0.00 0.00 36.82 36.37 3g5a h ILE 41 CO 0.00 0.16 -0.05 -0.07 0.00 0.00 0.00 178.15 178.20 3g5a h LEU 42 N 0.90 -0.11 -0.28 1.44 3.38 -1.14 -0.16 115.31 119.34 3g5a h LEU 42 Ca 0.39 -0.44 -0.18 0.00 0.09 0.00 0.00 57.88 57.75 3g5a h LEU 42 Cb 0.27 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.05 3g5a h LEU 42 CO -0.21 0.53 -0.52 0.40 0.09 0.00 0.00 178.44 178.73 3g5a h ILE 43 N -0.91 1.28 0.00 1.22 2.04 -0.63 -0.33 117.51 120.18 3g5a h ILE 43 Ca -0.01 -1.71 -0.34 0.00 1.00 0.00 0.00 64.86 63.79 3g5a h ILE 43 Cb 0.54 1.66 -0.06 0.00 -0.74 0.00 0.00 36.82 38.22 3g5a h ILE 43 CO 0.02 0.56 -2.14 0.59 0.00 0.00 0.00 178.15 177.18 3g5a n ASN 44 N -4.05 0.45 -0.06 1.72 3.02 0.05 -4.38 115.26 112.02 3g5a n ASN 44 Ca -0.05 0.15 -0.04 0.00 -0.03 0.00 0.00 54.58 54.61 3g5a n ASN 44 Cb 0.61 0.51 -0.11 0.00 -0.61 0.00 0.00 39.78 40.18 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 -2.90 1.49 -0.07 3.52 1.02 -1.03 -4.70 120.64 117.97 3g5a n GLU 45 Ca -0.28 -0.03 -0.06 0.00 -0.02 0.00 0.00 57.16 56.77 3g5a n GLU 45 Cb 1.11 -1.36 -0.02 0.00 -0.02 0.00 0.00 31.44 31.15 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 -2.43 1.21 -0.15 2.62 -1.04 -0.10 -4.39 114.28 109.99 3g5a n THR 46 Ca -0.19 0.23 0.03 0.00 -2.04 0.00 0.00 64.05 62.08 3g5a n THR 46 Cb 0.86 -2.21 0.32 0.00 -1.82 0.00 0.00 70.33 67.47 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 -0.82 0.79 -0.65 -1.42 0.04 -1.21 0.72 116.94 114.38 3g5a h PHE 47 Ca 0.00 0.02 0.07 0.00 2.80 0.00 0.00 57.97 60.86 3g5a h PHE 47 Cb 0.67 -0.26 -0.04 0.00 2.20 0.00 0.00 35.95 38.51 3g5a h PHE 47 CO -0.29 0.47 0.43 -1.35 -0.60 0.00 0.00 178.31 176.98 3g5a h PRO 48 N 0.83 0.62 0.04 1.51 0.11 -1.83 -3.29 132.00 129.99 3g5a h PRO 48 Ca 0.26 -0.04 -0.14 0.00 0.11 0.00 0.00 66.00 66.19 3g5a h PRO 48 Cb 0.01 -0.14 -0.01 0.00 0.11 0.00 0.00 31.00 30.97 3g5a h PRO 48 CO -0.07 0.41 -0.73 0.87 -0.21 0.00 0.00 178.00 178.28 3g5a h LYS 49 N 0.64 0.08 -5.49 1.05 1.57 -1.15 -3.46 116.57 109.81 3g5a h LYS 49 Ca 0.28 -0.13 -0.65 0.00 -1.87 0.00 0.00 60.65 58.28 3g5a h LYS 49 Cb 0.30 0.05 -0.32 0.00 0.08 0.00 0.00 32.23 32.34 3g5a h LYS 49 CO -0.09 1.06 -0.87 -1.58 -0.57 0.00 0.00 179.45 177.40 3g5a s TRP 50 N -2.33 2.28 0.02 -1.35 0.51 -0.17 -5.11 118.94 112.78 3g5a s TRP 50 Ca -0.22 -0.80 -0.30 0.00 -2.12 0.00 0.00 56.10 52.66 3g5a s TRP 50 Cb 0.01 -1.52 -0.06 0.00 -0.81 0.00 0.00 33.47 31.09 3g5a s TRP 50 CO 0.69 -0.30 1.38 0.45 -0.51 0.00 0.00 176.95 178.66 3g5a s SER 51 N 0.15 6.87 0.00 2.95 0.15 -1.26 -4.09 113.70 118.47 3g5a s SER 51 Ca -0.11 2.13 0.08 0.00 0.70 0.00 0.00 55.95 58.76 3g5a s SER 51 Cb -0.15 -2.57 0.48 0.00 -1.71 0.00 0.00 66.02 62.08 3g5a s SER 51 CO 0.06 -0.68 1.21 -0.81 1.20 0.00 0.00 173.24 174.21 3g5a n PRO 52 N 5.00 0.88 -0.01 5.44 -0.04 -1.26 -3.81 135.00 141.20 3g5a n PRO 52 Ca 0.12 0.00 0.06 0.00 -0.04 0.00 0.00 63.50 63.64 3g5a n PRO 52 Cb 0.44 -1.14 -0.09 0.00 -0.04 0.00 0.00 33.50 32.66 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 -0.64 0.01 -0.35 1.53 4.77 -1.26 -4.68 117.00 116.38 3g5a n LEU 53 Ca 0.06 -0.01 0.09 0.00 -0.03 0.00 0.00 56.01 56.12 3g5a n LEU 53 Cb 0.03 0.00 0.18 0.00 -2.33 0.00 0.00 43.42 41.29 3g5a n LEU 53 CO 0.05 0.00 0.59 -0.46 -1.33 0.00 0.00 177.39 176.24 3g5a n ASN 54 N -1.89 2.66 0.00 -1.43 0.23 -1.26 -4.95 115.26 108.62 3g5a n ASN 54 Ca -0.02 -3.17 0.00 0.00 -0.53 0.00 0.00 54.58 50.86 3g5a n ASN 54 Cb 0.30 -0.47 0.00 0.00 -2.08 0.00 0.00 39.78 37.53 3g5a n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g5a n GLY 55 N -1.19 0.90 0.30 4.83 0.00 -1.26 -4.91 105.19 103.86 3g5a n GLY 55 Ca 0.18 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.29 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 2.62 0.20 -5.32 1.61 5.08 -1.71 -3.32 114.58 113.74 3g5a h GLU 56 Ca 0.00 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.71 3g5a h GLU 56 Cb 0.00 -0.05 -0.22 0.00 0.50 0.00 0.00 28.75 28.99 3g5a h GLU 56 CO 0.00 0.13 -0.67 0.42 -1.00 0.00 0.00 179.01 177.89 3g5a s ILE 57 N -5.22 3.84 0.13 3.13 1.01 -1.25 0.33 121.20 123.16 3g5a s ILE 57 Ca -0.06 -0.38 0.07 0.00 0.00 0.00 0.00 60.65 60.28 3g5a s ILE 57 Cb 0.18 -2.67 -0.04 0.00 0.01 0.00 0.00 42.46 39.93 3g5a s ILE 57 CO 0.70 0.50 -0.07 -0.44 0.00 0.00 0.00 174.94 175.63 3g5a s SER 58 N 0.33 4.50 -0.32 3.58 0.01 -0.41 -4.72 113.70 116.66 3g5a s SER 58 Ca -0.04 -0.41 -0.10 0.00 1.31 0.00 0.00 55.95 56.71 3g5a s SER 58 Cb -0.14 -0.88 -0.01 0.00 0.21 0.00 0.00 66.02 65.20 3g5a s SER 58 CO 0.03 0.14 0.16 0.12 0.41 0.00 0.00 173.24 174.11 3g5a s PHE 59 N -1.43 3.19 -0.15 2.43 5.36 -0.07 -0.98 117.98 126.33 3g5a s PHE 59 Ca 0.24 -0.54 -0.29 0.00 -0.96 0.00 0.00 56.93 55.37 3g5a s PHE 59 Cb -0.10 -2.37 -0.02 0.00 -0.34 0.00 0.00 43.02 40.19 3g5a s PHE 59 CO 0.15 -0.45 1.24 0.45 -1.46 0.00 0.00 175.22 175.15 3g5a s SER 60 N 1.62 6.97 -0.03 6.13 0.15 0.42 -1.12 113.70 127.85 3g5a s SER 60 Ca 0.05 1.70 0.01 0.00 0.70 0.00 0.00 55.95 58.40 3g5a s SER 60 Cb -0.17 -2.54 0.02 0.00 -1.71 0.00 0.00 66.02 61.62 3g5a s SER 60 CO 0.07 -0.72 -0.01 -0.47 1.20 0.00 0.00 173.24 173.30 3g5a s TYR 61 N 3.24 0.38 -0.04 3.44 5.04 -0.60 -4.64 117.35 124.16 3g5a s TYR 61 Ca 0.54 -0.04 0.08 0.00 -2.44 0.00 0.00 57.07 55.22 3g5a s TYR 61 Cb -0.22 -0.42 0.15 0.00 0.35 0.00 0.00 41.96 41.82 3g5a s TYR 61 CO 0.15 -0.12 1.07 0.27 -1.34 0.00 0.00 175.55 175.58 3g5a n ASN 62 N 3.99 0.81 0.00 4.32 6.94 -1.26 -4.16 115.26 125.90 3g5a n ASN 62 Ca -0.25 -2.38 0.00 0.00 -0.02 0.00 0.00 54.58 51.93 3g5a n ASN 62 Cb 0.51 -0.29 0.00 0.00 -2.36 0.00 0.00 39.78 37.64 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 -0.37 0.59 3.83 4.83 0.00 -1.26 -4.94 105.19 107.87 3g5a n GLY 63 Ca 0.06 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.77 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 -2.00 1.64 0.44 -0.02 0.00 -1.26 -4.54 107.32 101.58 3g5a s GLY 64 Ca 0.00 -0.15 0.19 0.00 0.00 0.00 0.00 44.72 44.76 3g5a s GLY 64 CO 0.00 0.21 1.87 0.07 0.00 0.00 0.00 173.10 175.25 3g5a h LYS 65 N -0.80 0.33 0.10 2.90 2.10 -1.97 -1.67 116.57 117.56 3g5a h LYS 65 Ca -0.45 -0.02 -0.01 0.00 -2.00 0.00 0.00 60.65 58.17 3g5a h LYS 65 Cb 1.24 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.50 3g5a h LYS 65 CO 0.60 0.22 -0.05 -0.44 -2.00 0.00 0.00 179.45 177.78 3g5a h ASP 66 N 0.34 -0.12 0.18 7.07 3.32 -1.92 -0.72 116.42 124.57 3g5a h ASP 66 Ca 0.45 -0.45 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3g5a h ASP 66 Cb 1.20 0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.77 3g5a h ASP 66 CO -0.14 0.51 -0.20 0.00 -1.72 0.00 0.00 179.24 177.69 3g5a h GLN 68 N 0.04 0.16 -0.39 0.00 4.15 -1.26 0.32 115.11 118.13 3g5a h GLN 68 Ca 0.01 -0.06 0.05 0.00 0.77 0.00 0.00 58.65 59.43 3g5a h GLN 68 Cb 0.38 -0.01 -0.05 0.00 0.21 0.00 0.00 27.48 28.01 3g5a h GLN 68 CO 0.03 0.45 0.10 0.28 -1.93 0.00 0.00 178.83 177.76 3g5a h VAL 69 N -0.16 0.83 -0.75 2.39 2.07 -0.94 -1.54 116.25 118.15 3g5a h VAL 69 Ca 0.02 -0.08 -0.01 0.00 0.82 0.00 0.00 66.70 67.46 3g5a h VAL 69 Cb 0.39 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.70 3g5a h VAL 69 CO 0.01 0.04 0.45 0.25 0.02 0.00 0.00 177.57 178.34 3g5a h LEU 70 N 0.23 0.90 -0.55 2.57 5.85 -0.99 -1.80 115.31 121.53 3g5a h LEU 70 Ca 0.18 -0.05 -0.04 0.00 0.84 0.00 0.00 57.88 58.81 3g5a h LEU 70 Cb 0.20 -0.23 -0.02 0.00 0.37 0.00 0.00 40.66 40.98 3g5a h LEU 70 CO -0.22 0.70 0.19 0.25 -0.34 0.00 0.00 178.44 179.01 3g5a h LEU 71 N 1.03 0.78 -0.51 2.25 5.85 0.29 0.13 115.31 125.14 3g5a h LEU 71 Ca 0.27 -0.19 0.01 0.00 0.84 0.00 0.00 57.88 58.81 3g5a h LEU 71 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.76 3g5a h LEU 71 CO -0.05 0.76 0.33 -0.07 -0.34 0.00 0.00 178.44 179.07 3g5a h LEU 72 N 0.75 0.56 -0.46 2.25 3.38 -1.04 0.88 115.31 121.64 3g5a h LEU 72 Ca 0.18 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 58.05 3g5a h LEU 72 Cb 0.25 -0.14 -0.02 0.00 0.09 0.00 0.00 40.66 40.85 3g5a h LEU 72 CO -0.01 0.41 -0.06 -0.07 0.09 0.00 0.00 178.44 178.80 3g5a h LEU 73 N 0.67 0.84 -0.60 1.67 3.38 -1.08 -1.10 115.31 119.09 3g5a h LEU 73 Ca 0.19 -0.34 -0.01 0.00 0.09 0.00 0.00 57.88 57.81 3g5a h LEU 73 Cb -0.06 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 40.44 3g5a h LEU 73 CO -0.05 0.98 0.32 0.22 0.09 0.00 0.00 178.44 180.00 3g5a h TYR 74 N 0.69 0.83 -0.47 1.13 3.20 -0.46 -0.15 116.97 121.74 3g5a h TYR 74 Ca 0.12 -0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.92 3g5a h TYR 74 Cb 0.58 -0.26 -0.02 0.00 1.54 0.00 0.00 36.73 38.57 3g5a h TYR 74 CO 0.04 0.61 0.12 -0.07 -1.64 0.00 0.00 178.16 177.22 3g5a h LEU 75 N 0.81 0.70 -0.53 2.82 3.38 -0.74 0.13 115.31 121.89 3g5a h LEU 75 Ca 0.21 -0.23 0.10 0.00 0.09 0.00 0.00 57.88 58.05 3g5a h LEU 75 Cb 0.06 -0.19 -0.08 0.00 0.09 0.00 0.00 40.66 40.54 3g5a h LEU 75 CO -0.03 0.75 0.05 -1.28 0.09 0.00 0.00 178.44 178.02 3g5a h SER 76 N 0.62 -0.12 0.39 -0.43 0.87 -0.97 -1.85 113.55 112.06 3g5a h SER 76 Ca 0.15 0.11 -0.12 0.00 -1.23 0.00 0.00 61.79 60.70 3g5a h SER 76 Cb 0.32 0.18 -0.01 0.00 -0.44 0.00 0.00 62.40 62.45 3g5a h SER 76 CO 0.00 -0.04 -0.51 0.00 -0.53 0.00 0.00 176.83 175.75 3g5a h LEU 78 N 0.11 0.41 -0.51 0.00 3.38 -0.44 0.13 115.31 118.39 3g5a h LEU 78 Ca 0.00 -0.07 -0.01 0.00 0.09 0.00 0.00 57.88 57.89 3g5a h LEU 78 Cb 0.94 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.57 3g5a h LEU 78 CO 0.07 0.36 0.27 -0.25 0.09 0.00 0.00 178.44 178.99 3g5a h TRP 79 N 0.42 0.70 -0.54 1.13 2.91 -1.02 0.12 115.95 119.67 3g5a h TRP 79 Ca 0.12 -0.02 -0.01 0.00 1.13 0.00 0.00 58.89 60.11 3g5a h TRP 79 Cb 0.04 -0.22 -0.03 0.00 -0.51 0.00 0.00 29.16 28.44 3g5a h TRP 79 CO -0.03 0.52 0.29 1.49 -1.03 0.00 0.00 178.44 179.67 3g5a h GLU 80 N 0.67 0.76 -0.42 2.65 4.81 -1.09 0.32 114.58 122.28 3g5a h GLU 80 Ca 0.18 -0.09 0.04 0.00 -0.13 0.00 0.00 59.36 59.35 3g5a h GLU 80 Cb 0.06 -0.15 -0.04 0.00 0.63 0.00 0.00 28.75 29.25 3g5a h GLU 80 CO -0.03 0.59 0.20 -0.92 -0.73 0.00 0.00 179.01 178.13 3g5a h TYR 81 N 0.72 0.36 -0.36 0.92 3.20 -0.56 -2.14 116.97 119.11 3g5a h TYR 81 Ca 0.19 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.08 3g5a h TYR 81 Cb 0.06 -0.10 -0.02 0.00 1.54 0.00 0.00 36.73 38.21 3g5a h TYR 81 CO -0.01 0.18 0.23 -0.92 -1.64 0.00 0.00 178.16 176.00 3g5a h TYR 82 N 0.40 0.47 0.15 -3.82 3.20 -0.45 0.01 116.97 116.93 3g5a h TYR 82 Ca 0.18 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 62.06 3g5a h TYR 82 Cb 0.11 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.21 3g5a h TYR 82 CO -0.11 0.32 -0.12 0.82 -1.64 0.00 0.00 178.16 177.43 3g5a h ILE 83 N 0.48 0.74 -0.11 1.81 1.08 -0.84 0.23 117.51 120.90 3g5a h ILE 83 Ca 0.13 0.00 -0.09 0.00 -0.39 0.00 0.00 64.86 64.51 3g5a h ILE 83 Cb -0.02 0.74 0.00 0.00 -3.07 0.00 0.00 36.82 34.47 3g5a h ILE 83 CO -0.03 0.00 -0.27 0.58 -0.69 0.00 0.00 178.15 177.75 3g5a h VAL 84 N -0.28 1.39 0.00 1.67 2.07 -1.39 -3.34 116.25 116.38 3g5a h VAL 84 Ca -0.01 -1.57 -0.26 0.00 0.82 0.00 0.00 66.70 65.69 3g5a h VAL 84 Cb 0.25 2.11 -0.05 0.00 -1.52 0.00 0.00 31.29 32.08 3g5a h VAL 84 CO -0.01 0.46 -2.12 1.17 0.02 0.00 0.00 177.57 177.08 3g5a n LYS 85 N -4.45 0.67 -0.01 1.57 3.00 -0.01 -4.80 118.16 114.14 3g5a n LYS 85 Ca -0.07 0.01 -0.01 0.00 -0.00 0.00 0.00 58.31 58.24 3g5a n LYS 85 Cb 0.46 -1.58 -0.02 0.00 0.00 0.00 0.00 35.03 33.89 3g5a n LYS 85 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 3g5a n LEU 86 N -2.69 0.00 -0.06 3.14 4.77 -0.36 -4.85 117.00 116.94 3g5a n LEU 86 Ca -0.23 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.64 3g5a n LEU 86 Cb 0.99 0.04 -0.05 0.00 -2.33 0.00 0.00 43.42 42.07 3g5a n LEU 86 CO 0.44 0.04 0.73 0.77 -1.33 0.00 0.00 177.39 178.05 3g5a h SER 87 N 0.00 0.35 -3.73 -1.43 4.64 -0.73 -3.40 113.55 109.25 3g5a h SER 87 Ca -0.05 -0.33 -0.52 0.00 -0.47 0.00 0.00 61.79 60.42 3g5a h SER 87 Cb 1.01 -0.09 0.04 0.00 -0.31 0.00 0.00 62.40 63.05 3g5a h SER 87 CO 0.00 0.60 0.60 -1.10 -0.87 0.00 0.00 176.83 176.06 3g5a s GLN 88 N -4.89 4.44 0.69 4.77 -1.52 -1.26 0.11 119.66 122.01 3g5a s GLN 88 Ca -0.14 2.06 0.03 0.00 -1.95 0.00 0.00 55.36 55.36 3g5a s GLN 88 Cb 0.06 -3.14 0.13 0.00 -0.22 0.00 0.00 33.01 29.85 3g5a s GLN 88 CO 0.73 -0.09 0.95 -1.54 -0.25 0.00 0.00 175.29 175.09 3g5a s SER 89 N -0.37 4.48 0.40 5.90 1.04 -0.81 -4.77 113.70 119.57 3g5a s SER 89 Ca 0.50 -0.65 0.28 0.00 0.48 0.00 0.00 55.95 56.55 3g5a s SER 89 Cb -0.37 0.31 1.43 0.00 0.10 0.00 0.00 66.02 67.50 3g5a s SER 89 CO 0.46 -1.79 1.85 1.56 0.98 0.00 0.00 173.24 176.30 3g5a h GLN 90 N -0.35 0.00 -5.36 4.02 7.50 -1.98 -3.43 115.11 115.52 3g5a h GLN 90 Ca -0.32 0.00 -0.64 0.00 0.50 0.00 0.00 58.65 58.19 3g5a h GLN 90 Cb 1.27 0.00 -0.23 0.00 0.05 0.00 0.00 27.48 28.57 3g5a h GLN 90 CO 0.38 0.00 -0.69 -0.06 -1.50 0.00 0.00 178.83 176.96 3g5a s PHE 91 N -3.65 2.97 -0.16 2.96 0.08 -1.26 -5.09 117.98 113.82 3g5a s PHE 91 Ca -0.02 -0.36 -0.42 0.00 0.12 0.00 0.00 56.93 56.25 3g5a s PHE 91 Cb 0.08 -1.91 -0.19 0.00 -0.57 0.00 0.00 43.02 40.43 3g5a s PHE 91 CO 0.31 -0.05 1.29 -3.47 -0.10 0.00 0.00 175.22 173.19 3g5a n ASP 92 N 3.44 0.63 0.00 1.36 2.03 -1.26 -2.12 116.55 120.63 3g5a n ASP 92 Ca -0.18 1.16 0.00 0.00 0.52 0.00 0.00 54.79 56.30 3g5a n ASP 92 Cb 0.53 -0.94 0.00 0.00 -0.72 0.00 0.00 41.12 39.98 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 2.50 0.81 3.12 0.27 0.00 -1.26 -5.02 105.19 105.61 3g5a n GLY 93 Ca 0.24 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.95 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 -0.08 2.62 0.27 1.61 -0.14 -0.90 -5.13 119.74 117.98 3g5a s LYS 94 Ca 0.00 -0.71 0.10 0.00 -1.36 0.00 0.00 55.97 54.00 3g5a s LYS 94 Cb 0.00 -2.13 -0.05 0.00 -1.68 0.00 0.00 37.83 33.96 3g5a s LYS 94 CO 0.00 -0.01 -0.15 -0.06 -0.76 0.00 0.00 175.35 174.37 3g5a s PHE 95 N 0.83 2.10 -0.13 3.18 0.08 -1.26 -1.93 117.98 120.86 3g5a s PHE 95 Ca -0.09 -0.47 -0.04 0.00 0.12 0.00 0.00 56.93 56.45 3g5a s PHE 95 Cb -0.16 -1.02 -0.04 0.00 -0.57 0.00 0.00 43.02 41.24 3g5a s PHE 95 CO -0.00 0.54 0.03 -1.01 -0.10 0.00 0.00 175.22 174.68 3g5a s HIS 96 N -2.72 3.23 0.81 0.36 3.76 0.31 -4.88 115.29 116.16 3g5a s HIS 96 Ca 0.28 0.14 -0.11 0.00 -0.15 0.00 0.00 55.06 55.22 3g5a s HIS 96 Cb -0.01 -1.91 0.08 0.00 1.11 0.00 0.00 32.58 31.85 3g5a s HIS 96 CO 0.13 0.35 1.13 -0.98 -0.85 0.00 0.00 174.74 174.52 3g5a s ARG 97 N -0.38 1.81 -0.14 1.40 1.70 -1.26 -4.56 118.95 117.52 3g5a s ARG 97 Ca 0.08 1.42 -0.34 0.00 -0.47 0.00 0.00 55.73 56.42 3g5a s ARG 97 Cb -0.12 -1.83 -0.11 0.00 -0.57 0.00 0.00 34.95 32.32 3g5a s ARG 97 CO 0.02 -2.02 1.96 0.34 -1.08 0.00 0.00 175.30 174.52 3g5a n PHE 98 N -3.60 2.20 0.08 5.89 -0.00 -1.26 -4.89 117.46 115.89 3g5a n PHE 98 Ca 0.11 0.01 -0.06 0.00 -0.00 0.00 0.00 57.45 57.50 3g5a n PHE 98 Cb 0.52 -2.66 0.08 0.00 -0.00 0.00 0.00 39.48 37.43 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 10.29 0.26 -5.80 -7.13 0.13 -2.00 -3.46 132.00 124.30 3g5a h PRO 99 Ca -0.45 -0.20 -0.62 0.00 -0.87 0.00 0.00 66.00 63.86 3g5a h PRO 99 Cb 1.27 0.04 -0.07 0.00 0.13 0.00 0.00 31.00 32.37 3g5a h PRO 99 CO 0.96 0.84 -0.29 -1.17 -0.23 0.00 0.00 178.00 178.11 3g5a s LEU 100 N -7.85 4.39 -0.01 1.56 2.96 -1.26 -5.00 118.68 113.46 3g5a s LEU 100 Ca -0.04 0.75 0.11 0.00 -0.22 0.00 0.00 54.13 54.72 3g5a s LEU 100 Cb 0.11 -2.43 -0.16 0.00 0.50 0.00 0.00 46.19 44.21 3g5a s LEU 100 CO 0.81 0.28 0.25 0.35 -1.32 0.00 0.00 176.35 176.71 3g5a n THR 101 N 2.35 0.00 -3.94 3.68 -2.24 -1.26 -4.44 114.28 108.43 3g5a n THR 101 Ca -0.14 -0.24 -0.10 0.00 -2.27 0.00 0.00 64.05 61.29 3g5a n THR 101 Cb 0.53 0.33 -0.11 0.00 -2.10 0.00 0.00 70.33 68.98 3g5a n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g5a s LYS 102 N -2.66 0.35 -0.33 -0.78 -0.14 -1.26 -4.31 119.74 110.61 3g5a s LYS 102 Ca -0.03 -0.50 -0.12 0.00 -1.36 0.00 0.00 55.97 53.96 3g5a s LYS 102 Cb 0.07 0.14 -0.02 0.00 -1.68 0.00 0.00 37.83 36.34 3g5a s LYS 102 CO 0.44 -0.07 0.21 -1.17 -0.76 0.00 0.00 175.35 174.00 3g5a s LEU 103 N -1.35 4.38 0.08 3.17 2.96 -0.54 -4.80 118.68 122.58 3g5a s LEU 103 Ca -0.15 -0.40 -0.31 0.00 -0.22 0.00 0.00 54.13 53.05 3g5a s LEU 103 Cb -0.09 -2.10 -0.09 0.00 0.50 0.00 0.00 46.19 44.41 3g5a s LEU 103 CO -0.00 -0.21 1.79 -2.84 -1.32 0.00 0.00 176.35 173.78 3g5a s PRO 104 N 1.70 4.16 0.04 0.98 0.02 -1.26 0.02 135.00 140.66 3g5a s PRO 104 Ca 0.06 2.50 0.02 0.00 0.02 0.00 0.00 61.00 63.60 3g5a s PRO 104 Cb -0.17 -3.72 -0.02 0.00 0.02 0.00 0.00 34.50 30.60 3g5a s PRO 104 CO 0.10 -0.83 -0.08 0.99 -0.33 0.00 0.00 177.00 176.85 3g5a s THR 105 N 3.10 0.53 -0.05 0.99 2.01 -0.59 -0.89 115.64 120.74 3g5a s THR 105 Ca 0.80 -1.07 -0.00 0.00 0.31 0.00 0.00 61.69 61.73 3g5a s THR 105 Cb -0.43 -0.60 0.03 0.00 0.01 0.00 0.00 72.50 71.51 3g5a s THR 105 CO 0.36 -0.38 -0.01 0.54 -0.69 0.00 0.00 174.62 174.43 3g5a s VAL 106 N -1.37 0.35 -0.13 3.82 0.11 -0.28 -1.09 120.40 121.82 3g5a s VAL 106 Ca -0.10 0.04 0.01 0.00 -2.93 0.00 0.00 61.98 59.01 3g5a s VAL 106 Cb -0.10 -0.45 0.02 0.00 -1.53 0.00 0.00 36.38 34.31 3g5a s VAL 106 CO 0.00 0.21 -0.15 0.12 -3.33 0.00 0.00 175.10 171.96 3g5a s PHE 107 N 1.37 2.11 -0.46 1.54 5.36 0.71 -1.55 117.98 127.05 3g5a s PHE 107 Ca -0.04 -1.09 -0.21 0.00 -0.96 0.00 0.00 56.93 54.62 3g5a s PHE 107 Cb -0.13 -1.53 0.03 0.00 -0.34 0.00 0.00 43.02 41.05 3g5a s PHE 107 CO -0.02 -0.58 0.68 0.42 -1.46 0.00 0.00 175.22 174.26 3g5a s ILE 108 N 1.21 4.78 0.33 3.12 -1.09 -1.26 -0.94 121.20 127.35 3g5a s ILE 108 Ca -0.01 0.06 -0.11 0.00 -2.23 0.00 0.00 60.65 58.36 3g5a s ILE 108 Cb -0.14 -4.26 -0.07 0.00 -1.58 0.00 0.00 42.46 36.40 3g5a s ILE 108 CO -0.06 -0.69 0.69 -0.62 -1.23 0.00 0.00 174.94 173.03 3g5a s ASP 109 N 2.21 6.60 0.06 3.58 2.15 -1.26 -4.91 116.67 125.10 3g5a s ASP 109 Ca 0.23 1.08 0.01 0.00 0.43 0.00 0.00 52.55 54.30 3g5a s ASP 109 Cb -0.15 -2.30 -0.03 0.00 -0.30 0.00 0.00 42.92 40.15 3g5a s ASP 109 CO 0.18 -0.26 -0.06 -1.00 -0.17 0.00 0.00 175.17 173.86 3g5a s HIS 110 N -2.12 0.71 -1.06 -5.34 3.76 -1.26 -4.26 115.29 105.72 3g5a s HIS 110 Ca 0.50 -0.73 0.18 0.00 -0.15 0.00 0.00 55.06 54.86 3g5a s HIS 110 Cb -0.10 -0.43 0.78 0.00 1.11 0.00 0.00 32.58 33.94 3g5a s HIS 110 CO 0.25 -0.15 1.57 -0.40 -0.85 0.00 0.00 174.74 175.16 3g5a n ASP 111 N 0.71 0.00 -0.34 1.40 5.68 -1.19 -2.26 116.55 120.56 3g5a n ASP 111 Ca -0.18 0.44 0.09 0.00 -0.50 0.00 0.00 54.79 54.64 3g5a n ASP 111 Cb 0.58 -0.47 0.18 0.00 -1.14 0.00 0.00 41.12 40.26 3g5a n ASP 111 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3g5a n ASP 112 N -1.47 2.73 -4.76 -1.12 5.75 -1.26 -5.02 116.55 111.40 3g5a n ASP 112 Ca 0.05 -3.13 -0.41 0.00 -0.01 0.00 0.00 54.79 51.30 3g5a n ASP 112 Cb 0.20 -0.47 -0.03 0.00 -1.03 0.00 0.00 41.12 39.79 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 -2.89 3.08 0.23 2.12 2.01 -0.96 -0.59 115.64 118.64 3g5a s THR 113 Ca 0.35 1.05 -0.32 0.00 0.31 0.00 0.00 61.69 63.09 3g5a s THR 113 Cb 0.30 -3.67 -0.12 0.00 0.01 0.00 0.00 72.50 69.02 3g5a s THR 113 CO 0.04 0.23 1.62 0.49 -0.69 0.00 0.00 174.62 176.32 3g5a n PHE 114 N 1.26 2.63 -0.17 4.92 3.72 -1.26 -4.80 117.46 123.76 3g5a n PHE 114 Ca 0.01 0.19 -0.02 0.00 -0.05 0.00 0.00 57.45 57.58 3g5a n PHE 114 Cb 0.43 -2.60 0.08 0.00 -0.94 0.00 0.00 39.48 36.44 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 5.74 0.21 -0.78 -1.08 1.63 -1.99 -1.48 116.57 118.82 3g5a h LYS 115 Ca -0.45 -0.01 0.13 0.00 -0.85 0.00 0.00 60.65 59.47 3g5a h LYS 115 Cb 1.23 -0.05 -0.09 0.00 -0.60 0.00 0.00 32.23 32.72 3g5a h LYS 115 CO 0.87 0.14 0.37 1.15 -3.45 0.00 0.00 179.45 178.53 3g5a h THR 116 N 0.22 0.74 -0.50 1.00 2.02 -1.91 -0.98 112.91 113.51 3g5a h THR 116 Ca 0.27 -0.19 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3g5a h THR 116 Cb 0.38 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.90 3g5a h THR 116 CO -0.36 0.10 0.14 0.25 0.37 0.00 0.00 175.52 176.01 3g5a h LEU 117 N 0.56 0.74 -0.50 2.58 5.85 -1.71 -0.86 115.31 121.97 3g5a h LEU 117 Ca 0.42 -0.22 0.08 0.00 0.84 0.00 0.00 57.88 59.00 3g5a h LEU 117 Cb 0.56 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.33 3g5a h LEU 117 CO -0.35 0.77 0.11 -0.33 -0.34 0.00 0.00 178.44 178.30 3g5a h GLU 118 N 0.68 0.24 -0.51 1.25 4.39 -0.65 -0.69 114.58 119.30 3g5a h GLU 118 Ca 0.16 -0.01 -0.03 0.00 0.34 0.00 0.00 59.36 59.81 3g5a h GLU 118 Cb 0.31 -0.05 -0.02 0.00 -0.10 0.00 0.00 28.75 28.88 3g5a h GLU 118 CO -0.00 0.16 0.19 -0.91 -1.16 0.00 0.00 179.01 177.29 3g5a h ASN 119 N 0.25 0.71 -0.54 1.42 2.35 -0.94 -2.33 115.58 116.51 3g5a h ASN 119 Ca 0.25 -0.18 -0.04 0.00 -0.55 0.00 0.00 56.30 55.78 3g5a h ASN 119 Cb 0.33 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.50 3g5a h ASN 119 CO -0.32 0.70 0.17 0.15 -1.65 0.00 0.00 177.43 176.47 3g5a h PHE 120 N 0.69 0.87 -0.41 1.19 3.57 -0.74 -0.78 116.94 121.33 3g5a h PHE 120 Ca 0.17 -0.09 -0.02 0.00 3.53 0.00 0.00 57.97 61.56 3g5a h PHE 120 Cb 0.21 -0.25 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3g5a h PHE 120 CO 0.01 0.74 0.18 0.82 -2.23 0.00 0.00 178.31 177.83 3g5a h ILE 121 N 0.75 1.19 -0.01 1.41 2.04 -0.96 0.20 117.51 122.12 3g5a h ILE 121 Ca 0.17 -0.56 -0.00 0.00 1.00 0.00 0.00 64.86 65.48 3g5a h ILE 121 Cb 0.28 0.79 -0.00 0.00 -0.74 0.00 0.00 36.82 37.15 3g5a h ILE 121 CO -0.01 0.21 0.01 -0.33 0.00 0.00 0.00 178.15 178.03 3g5a h GLU 122 N 0.52 0.02 -0.39 2.37 5.08 -1.31 0.19 114.58 121.06 3g5a h GLU 122 Ca 0.14 -0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.51 3g5a h GLU 122 Cb 0.16 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.38 3g5a h GLU 122 CO -0.01 0.08 0.24 0.93 -1.00 0.00 0.00 179.01 179.24 3g5a h GLU 123 N -0.05 0.46 0.00 2.33 5.08 -0.99 -2.44 114.58 118.97 3g5a h GLU 123 Ca 0.01 -0.03 -0.04 0.00 -1.00 0.00 0.00 59.36 58.30 3g5a h GLU 123 Cb 0.07 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.21 3g5a h GLU 123 CO -0.00 0.31 -0.19 1.79 -1.00 0.00 0.00 179.01 179.92 3g5a h THR 124 N 0.48 0.36 -0.66 1.13 1.35 -0.56 -2.19 112.91 112.81 3g5a h THR 124 Ca 0.15 -1.29 0.02 0.00 -0.55 0.00 0.00 66.41 64.74 3g5a h THR 124 Cb -0.01 2.00 -0.04 0.00 -1.73 0.00 0.00 68.15 68.37 3g5a h THR 124 CO -0.06 0.18 0.43 0.28 -0.25 0.00 0.00 175.52 176.10 3g5a h SER 125 N 0.00 0.72 -0.19 5.36 0.02 -0.54 -0.93 113.55 117.99 3g5a h SER 125 Ca -0.00 -0.01 -0.04 0.00 -0.84 0.00 0.00 61.79 60.90 3g5a h SER 125 Cb 0.98 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.35 3g5a h SER 125 CO 0.02 0.51 -0.03 -0.07 -1.14 0.00 0.00 176.83 176.13 3g5a h LEU 126 N 0.86 0.35 -0.31 5.07 3.38 -1.24 -0.20 115.31 123.22 3g5a h LEU 126 Ca 0.25 -0.35 0.02 0.00 0.09 0.00 0.00 57.88 57.89 3g5a h LEU 126 Cb -0.05 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 40.58 3g5a h LEU 126 CO -0.08 0.62 0.16 -0.09 0.09 0.00 0.00 178.44 179.14 3g5a h ARG 127 N 0.08 0.32 -0.54 1.13 2.43 -1.06 -2.94 114.38 113.79 3g5a h ARG 127 Ca 0.05 -0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.20 3g5a h ARG 127 Cb 0.46 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 3g5a h ARG 127 CO 0.02 0.21 0.00 0.66 -1.51 0.00 0.00 179.97 179.35 3g5a n TYR 128 N -4.95 0.77 -3.74 2.20 4.01 -0.38 -2.00 117.16 113.06 3g5a n TYR 128 Ca -0.01 -0.37 -0.23 0.00 -0.16 0.00 0.00 57.90 57.14 3g5a n TYR 128 Cb 0.07 -0.03 0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 1.02 -1.81 -4.78 7.72 7.64 -1.01 -4.73 113.62 117.66 3g5a n SER 129 Ca 0.18 -0.81 -0.38 0.00 1.01 0.00 0.00 58.87 58.86 3g5a n SER 129 Cb 0.48 -4.02 -0.06 0.00 -1.01 0.00 0.00 64.21 59.60 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 -6.79 4.48 -0.77 -3.43 1.43 -0.12 -1.46 118.68 112.02 3g5a s LEU 130 Ca 0.12 1.69 -0.17 0.00 -1.03 0.00 0.00 54.13 54.74 3g5a s LEU 130 Cb -0.06 -3.59 0.16 0.00 0.03 0.00 0.00 46.19 42.73 3g5a s LEU 130 CO 0.82 0.09 0.82 -0.55 0.23 0.00 0.00 176.35 177.76 3g5a s SER 131 N -1.39 6.53 -0.19 2.29 0.15 0.10 -4.76 113.70 116.44 3g5a s SER 131 Ca 0.42 -2.13 -0.23 0.00 0.70 0.00 0.00 55.95 54.71 3g5a s SER 131 Cb -0.21 -2.28 -0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3g5a s SER 131 CO 0.25 -0.86 0.71 -0.22 1.20 0.00 0.00 173.24 174.32 3g5a s LEU 132 N 1.58 4.15 -0.22 3.45 2.96 -1.26 -1.55 118.68 127.79 3g5a s LEU 132 Ca 0.19 0.97 -0.10 0.00 -0.22 0.00 0.00 54.13 54.96 3g5a s LEU 132 Cb -0.14 -3.03 -0.05 0.00 0.50 0.00 0.00 46.19 43.47 3g5a s LEU 132 CO -0.04 -0.33 0.16 -0.47 -1.32 0.00 0.00 176.35 174.34 3g5a s TYR 133 N 2.05 3.36 -0.09 5.38 5.04 -0.25 -4.98 117.35 127.87 3g5a s TYR 133 Ca 0.32 0.29 0.03 0.00 -2.44 0.00 0.00 57.07 55.28 3g5a s TYR 133 Cb -0.16 -2.23 -0.01 0.00 0.35 0.00 0.00 41.96 39.91 3g5a s TYR 133 CO 0.11 0.17 -0.19 -1.21 -1.34 0.00 0.00 175.55 173.09 3g5a s GLU 134 N 0.72 2.91 0.90 4.97 2.02 -1.26 -0.21 118.70 128.76 3g5a s GLU 134 Ca 0.08 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.16 3g5a s GLU 134 Cb -0.12 -2.37 0.13 0.00 0.10 0.00 0.00 34.13 31.87 3g5a s GLU 134 CO 0.02 0.32 1.10 -1.54 0.02 0.00 0.00 175.26 175.18 3g5a s SER 135 N 0.02 3.51 -0.39 -0.19 1.04 -0.12 -4.95 113.70 112.62 3g5a s SER 135 Ca -0.07 1.27 -0.26 0.00 0.48 0.00 0.00 55.95 57.37 3g5a s SER 135 Cb -0.15 -1.94 0.02 0.00 0.10 0.00 0.00 66.02 64.05 3g5a s SER 135 CO 0.05 -2.59 0.95 -0.62 0.98 0.00 0.00 173.24 172.02 3g5a s ASP 136 N -3.66 6.67 0.57 7.02 2.15 -1.26 -4.19 116.67 123.96 3g5a s ASP 136 Ca 0.63 0.54 0.34 0.00 0.43 0.00 0.00 52.55 54.48 3g5a s ASP 136 Cb -0.17 -2.47 1.68 0.00 -0.30 0.00 0.00 42.92 41.66 3g5a s ASP 136 CO 0.56 -0.92 2.13 0.08 -0.17 0.00 0.00 175.17 176.84 3g5a h ARG 137 N 8.60 0.00 -0.64 4.34 0.11 -1.92 -2.58 114.38 122.29 3g5a h ARG 137 Ca -0.23 0.00 -0.05 0.00 0.10 0.00 0.00 59.98 59.80 3g5a h ARG 137 Cb 1.08 0.00 -0.03 0.00 1.11 0.00 0.00 29.97 32.13 3g5a h ARG 137 CO 1.00 0.06 0.06 -0.25 0.10 0.00 0.00 179.97 180.94 3g5a n ASP 138 N -3.35 5.37 -4.52 0.08 8.00 -1.26 -3.17 116.55 117.70 3g5a n ASP 138 Ca -0.01 -2.95 -0.34 0.00 0.71 0.00 0.00 54.79 52.19 3g5a n ASP 138 Cb 0.21 -0.69 -0.12 0.00 -0.02 0.00 0.00 41.12 40.50 3g5a n ASP 138 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3g5a s LYS 139 N -2.73 3.72 -0.53 -1.24 2.20 -0.98 -5.08 119.74 115.10 3g5a s LYS 139 Ca 0.52 -0.49 -0.28 0.00 -0.36 0.00 0.00 55.97 55.37 3g5a s LYS 139 Cb 0.40 -2.97 0.03 0.00 -1.51 0.00 0.00 37.83 33.78 3g5a s LYS 139 CO 0.15 0.24 1.11 0.00 -0.36 0.00 0.00 175.35 176.49 3g5a s GLU 141 N 4.55 1.07 0.73 0.00 -1.05 -1.26 -5.13 118.70 117.61 3g5a s GLU 141 Ca 0.42 -0.27 -0.10 0.00 -0.15 0.00 0.00 54.97 54.87 3g5a s GLU 141 Cb -0.08 0.49 0.05 0.00 -0.44 0.00 0.00 34.13 34.15 3g5a s GLU 141 CO 0.27 -0.44 1.09 0.95 0.95 0.00 0.00 175.26 178.07 3g5a s THR 142 N -3.02 2.68 0.11 1.83 -4.23 -1.26 -4.86 115.64 106.89 3g5a s THR 142 Ca 0.00 0.07 -0.22 0.00 -1.18 0.00 0.00 61.69 60.37 3g5a s THR 142 Cb -0.01 -3.19 -0.07 0.00 1.34 0.00 0.00 72.50 70.57 3g5a s THR 142 CO -0.07 -0.23 1.71 0.24 -0.54 0.00 0.00 174.62 175.73 3g5a h MET 143 N -0.73 -0.03 -0.66 3.99 0.00 -2.02 -0.89 114.93 114.59 3g5a h MET 143 Ca -0.45 0.00 0.14 0.00 0.00 0.00 0.00 59.70 59.39 3g5a h MET 143 Cb 1.30 0.01 -0.12 0.00 0.00 0.00 0.00 31.60 32.78 3g5a h MET 143 CO 0.63 -0.02 -0.09 0.00 0.00 0.00 0.00 176.91 177.43 3g5a h ALA 144 N 1.06 0.54 -0.53 6.32 0.00 -1.94 -0.19 119.26 124.53 3g5a h ALA 144 Ca 0.06 0.23 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 3g5a h ALA 144 Cb 0.12 0.43 -0.02 0.00 0.00 0.00 0.00 17.79 18.32 3g5a h ALA 144 CO -0.13 -0.42 0.23 0.93 0.00 0.00 0.00 179.25 179.86 3g5a h GLU 145 N 0.05 0.78 -0.87 0.00 5.08 -1.80 -0.82 114.58 117.00 3g5a h GLU 145 Ca 0.33 -0.13 0.04 0.00 -1.00 0.00 0.00 59.36 58.60 3g5a h GLU 145 Cb 0.54 -0.13 -0.05 0.00 0.50 0.00 0.00 28.75 29.60 3g5a h GLU 145 CO -0.63 0.67 0.56 0.00 -1.00 0.00 0.00 179.01 178.61 3g5a h ALA 146 N 1.07 1.16 -0.04 3.43 0.00 -0.59 -2.28 119.26 122.00 3g5a h ALA 146 Ca 0.18 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.91 3g5a h ALA 146 Cb 0.17 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 3g5a h ALA 146 CO -0.02 0.39 -0.63 0.74 0.00 0.00 0.00 179.25 179.73 3g5a h PHE 147 N 1.08 0.20 -0.30 0.00 0.04 -0.83 -1.43 116.94 115.70 3g5a h PHE 147 Ca 0.35 -0.08 0.00 0.00 2.80 0.00 0.00 57.97 61.04 3g5a h PHE 147 Cb 0.03 -0.03 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3g5a h PHE 147 CO -0.02 0.74 0.19 1.49 -0.60 0.00 0.00 178.31 180.12 3g5a h GLU 148 N 0.11 0.40 -0.42 1.51 4.57 -0.79 -1.25 114.58 118.72 3g5a h GLU 148 Ca -0.01 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.14 3g5a h GLU 148 Cb 1.14 -0.09 -0.02 0.00 -0.16 0.00 0.00 28.75 29.62 3g5a h GLU 148 CO 0.09 0.28 0.26 1.15 -1.18 0.00 0.00 179.01 179.62 3g5a h THR 149 N 0.40 1.12 -0.57 0.32 2.02 -1.27 -1.50 112.91 113.43 3g5a h THR 149 Ca 0.11 -0.27 0.11 0.00 0.77 0.00 0.00 66.41 67.13 3g5a h THR 149 Cb -0.02 0.55 -0.09 0.00 -1.74 0.00 0.00 68.15 66.85 3g5a h THR 149 CO -0.02 0.12 0.08 0.15 0.37 0.00 0.00 175.52 176.23 3g5a h PHE 150 N 0.55 0.12 0.00 3.16 3.57 -1.07 -1.81 116.94 121.46 3g5a h PHE 150 Ca 0.15 0.04 -0.09 0.00 3.53 0.00 0.00 57.97 61.60 3g5a h PHE 150 Cb -0.02 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.74 3g5a h PHE 150 CO -0.04 -0.06 -0.42 -0.07 -2.23 0.00 0.00 178.31 175.49 3g5a h LEU 151 N 0.21 0.00 -0.70 0.59 -0.00 -0.81 0.59 115.31 115.19 3g5a h LEU 151 Ca 0.30 0.00 -0.07 0.00 -0.00 0.00 0.00 57.88 58.11 3g5a h LEU 151 Cb 0.45 0.00 -0.03 0.00 -0.00 0.00 0.00 40.66 41.08 3g5a h LEU 151 CO -0.42 0.42 0.15 1.56 -0.00 0.00 0.00 178.44 180.15 3g5a h GLN 152 N 0.00 1.14 -0.27 1.13 4.20 -0.71 -1.94 115.11 118.65 3g5a h GLN 152 Ca -0.00 -0.28 -0.08 0.00 0.06 0.00 0.00 58.65 58.34 3g5a h GLN 152 Cb 0.79 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.42 3g5a h GLN 152 CO 0.05 1.01 -0.13 0.28 -0.67 0.00 0.00 178.83 179.38 3g5a h VAL 153 N 1.07 1.30 -2.48 -0.54 2.07 -0.63 -3.38 116.25 113.65 3g5a h VAL 153 Ca 0.22 -1.21 -0.60 0.00 0.82 0.00 0.00 66.70 65.92 3g5a h VAL 153 Cb 0.40 1.51 -0.42 0.00 -1.52 0.00 0.00 31.29 31.26 3g5a h VAL 153 CO 0.01 0.38 -0.61 0.49 0.02 0.00 0.00 177.57 177.86 3g5a n PHE 154 N -4.45 3.29 0.52 1.57 3.72 0.13 -4.93 117.46 117.31 3g5a n PHE 154 Ca -0.04 -4.17 0.08 0.00 -0.05 0.00 0.00 57.45 53.27 3g5a n PHE 154 Cb 0.36 -0.56 0.35 0.00 -0.94 0.00 0.00 39.48 38.69 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 1.26 0.03 0.08 -1.08 -0.04 -0.73 -1.95 135.00 132.57 3g5a n PRO 155 Ca 0.26 0.26 0.11 0.00 -0.04 0.00 0.00 63.50 64.09 3g5a n PRO 155 Cb 0.40 -1.55 0.45 0.00 -0.04 0.00 0.00 33.50 32.75 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 -1.60 0.14 -1.96 0.54 0.00 -1.26 -4.79 120.64 111.71 3g5a n GLU 156 Ca 0.04 0.30 -0.42 0.00 0.00 0.00 0.00 57.16 57.07 3g5a n GLU 156 Cb 0.19 -1.74 -0.03 0.00 0.00 0.00 0.00 31.44 29.87 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 -3.17 3.49 -0.05 3.84 2.01 -0.82 -4.08 115.64 116.86 3g5a s THR 157 Ca 0.07 0.60 0.14 0.00 0.31 0.00 0.00 61.69 62.81 3g5a s THR 157 Cb 0.11 -3.39 -0.21 0.00 0.01 0.00 0.00 72.50 69.02 3g5a s THR 157 CO 0.42 -0.06 0.24 0.29 -0.69 0.00 0.00 174.62 174.82 3g5a n LYS 158 N 7.23 0.83 -3.70 4.92 5.02 0.15 -4.96 118.16 127.65 3g5a n LYS 158 Ca 0.18 -0.10 -0.14 0.00 -2.02 0.00 0.00 58.31 56.23 3g5a n LYS 158 Cb 0.43 -1.35 -0.08 0.00 -0.02 0.00 0.00 35.03 34.00 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 -2.82 -1.10 -0.06 7.82 0.00 -0.71 -0.90 121.76 123.99 3g5a s ALA 159 Ca -0.06 0.83 0.01 0.00 0.00 0.00 0.00 51.96 52.74 3g5a s ALA 159 Cb 0.08 -0.19 0.02 0.00 0.00 0.00 0.00 23.12 23.03 3g5a s ALA 159 CO 0.59 -0.27 -0.05 0.42 0.00 0.00 0.00 175.76 176.45 3g5a s ILE 160 N -0.83 0.62 0.03 0.00 1.01 -0.04 -1.29 121.20 120.70 3g5a s ILE 160 Ca -0.09 -0.14 -0.25 0.00 0.00 0.00 0.00 60.65 60.17 3g5a s ILE 160 Cb -0.03 -0.65 -0.05 0.00 0.01 0.00 0.00 42.46 41.73 3g5a s ILE 160 CO 0.04 0.26 0.77 -0.69 0.00 0.00 0.00 174.94 175.32 3g5a s VAL 161 N 1.11 4.78 -0.02 2.92 1.01 -0.15 -1.32 120.40 128.73 3g5a s VAL 161 Ca -0.08 1.64 0.00 0.00 0.00 0.00 0.00 61.98 63.54 3g5a s VAL 161 Cb -0.14 -4.12 0.02 0.00 0.00 0.00 0.00 36.38 32.14 3g5a s VAL 161 CO -0.01 0.34 0.01 -0.63 0.00 0.00 0.00 175.10 174.81 3g5a s ILE 162 N 0.13 0.04 -0.35 2.22 1.01 -0.38 -0.44 121.20 123.42 3g5a s ILE 162 Ca 0.39 0.13 -0.01 0.00 0.00 0.00 0.00 60.65 61.17 3g5a s ILE 162 Cb -0.20 -0.14 0.27 0.00 0.01 0.00 0.00 42.46 42.40 3g5a s ILE 162 CO 0.23 0.09 1.94 0.61 0.00 0.00 0.00 174.94 177.81 3g5a n GLY 163 N 3.98 4.22 3.77 6.18 0.00 -1.26 -4.28 105.19 117.79 3g5a n GLY 163 Ca -0.25 -1.17 -0.39 0.00 0.00 0.00 0.00 46.02 44.21 3g5a n GLY 163 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3g5a s ILE 164 N -2.54 3.38 0.22 -0.61 1.01 -1.26 -4.54 121.20 116.86 3g5a s ILE 164 Ca 0.35 1.28 0.11 0.00 0.00 0.00 0.00 60.65 62.40 3g5a s ILE 164 Cb 0.28 -3.77 -0.05 0.00 0.01 0.00 0.00 42.46 38.93 3g5a s ILE 164 CO 0.01 0.23 -0.19 -0.13 0.00 0.00 0.00 174.94 174.85 3g5a s ARG 165 N -1.83 1.71 0.66 2.79 0.52 -1.26 -3.58 118.95 117.96 3g5a s ARG 165 Ca 0.50 -1.55 0.43 0.00 -0.52 0.00 0.00 55.73 54.59 3g5a s ARG 165 Cb -0.31 -1.90 2.36 0.00 0.52 0.00 0.00 34.95 35.62 3g5a s ARG 165 CO 0.39 0.38 2.36 0.45 0.02 0.00 0.00 175.30 178.91 3g5a h HIS 166 N 2.79 0.00 -0.01 -0.53 3.86 -1.07 -0.91 115.15 119.29 3g5a h HIS 166 Ca -0.44 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.77 3g5a h HIS 166 Cb 1.23 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.70 3g5a h HIS 166 CO 0.72 0.00 -0.20 0.25 0.86 0.00 0.00 177.93 179.56 3g5a n THR 167 N -3.18 0.00 -2.45 2.45 -2.24 -1.26 -2.98 114.28 104.61 3g5a n THR 167 Ca -0.03 -0.13 -0.34 0.00 -2.27 0.00 0.00 64.05 61.28 3g5a n THR 167 Cb 0.07 0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.60 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 -2.42 6.21 0.11 3.42 1.01 -0.35 -4.96 116.67 119.69 3g5a s ASP 168 Ca 0.27 1.94 -0.34 0.00 0.71 0.00 0.00 52.55 55.13 3g5a s ASP 168 Cb 0.20 -2.56 -0.13 0.00 1.01 0.00 0.00 42.92 41.43 3g5a s ASP 168 CO 0.49 -0.87 1.65 -2.65 0.21 0.00 0.00 175.17 173.99 3g5a n PRO 169 N -1.13 2.18 -0.93 8.23 -0.02 -1.26 -0.76 135.00 141.31 3g5a n PRO 169 Ca 0.09 0.79 0.00 0.00 -2.02 0.00 0.00 63.50 62.36 3g5a n PRO 169 Cb 0.52 -2.58 0.00 0.00 -0.02 0.00 0.00 33.50 31.43 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 4.14 0.00 1.20 6.00 3.72 -1.26 -4.85 117.46 126.40 3g5a n PHE 170 Ca 0.18 0.00 0.13 0.00 -0.05 0.00 0.00 57.45 57.71 3g5a n PHE 170 Cb 0.29 -0.31 0.26 0.00 -0.94 0.00 0.00 39.48 38.78 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 -2.07 0.14 0.27 1.37 0.00 0.06 -4.71 105.19 100.25 3g5a n GLY 171 Ca 0.00 -0.54 0.01 0.00 0.00 0.00 0.00 46.02 45.49 3g5a n GLY 171 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g5a h GLU 172 N 2.74 0.57 -0.55 1.61 3.07 -1.68 -3.12 114.58 117.21 3g5a h GLU 172 Ca 0.00 -0.03 -0.35 0.00 -0.50 0.00 0.00 59.36 58.48 3g5a h GLU 172 Cb 0.69 -0.13 -0.41 0.00 -0.84 0.00 0.00 28.75 28.06 3g5a h GLU 172 CO 0.00 0.38 -1.02 0.72 -1.40 0.00 0.00 179.01 177.69 3g5a n HIS 173 N -4.87 1.76 -1.27 4.33 8.25 -1.26 -4.87 115.22 117.29 3g5a n HIS 173 Ca 0.11 -2.19 -0.30 0.00 -0.26 0.00 0.00 57.72 55.08 3g5a n HIS 173 Cb 0.27 -0.27 0.14 0.00 1.12 0.00 0.00 29.99 31.25 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 -3.73 2.22 0.11 2.41 1.43 -1.18 -5.09 118.68 114.86 3g5a s LEU 174 Ca 0.35 1.40 0.08 0.00 -1.03 0.00 0.00 54.13 54.94 3g5a s LEU 174 Cb 0.35 -3.82 -0.04 0.00 0.03 0.00 0.00 46.19 42.71 3g5a s LEU 174 CO -0.01 -2.59 -0.16 -0.54 0.23 0.00 0.00 176.35 173.27 3g5a s LYS 175 N -4.98 1.89 0.54 1.70 -0.14 -1.26 -5.02 119.74 112.47 3g5a s LYS 175 Ca 0.63 -1.12 0.27 0.00 -1.36 0.00 0.00 55.97 54.39 3g5a s LYS 175 Cb -0.17 -2.17 1.43 0.00 -1.68 0.00 0.00 37.83 35.24 3g5a s LYS 175 CO 0.56 0.49 1.96 -1.35 -0.76 0.00 0.00 175.35 176.26 3g5a h PRO 176 N 3.77 0.00 -3.47 -1.68 0.11 -1.91 -3.39 132.00 125.42 3g5a h PRO 176 Ca -0.49 0.00 -0.40 0.00 0.11 0.00 0.00 66.00 65.21 3g5a h PRO 176 Cb 1.17 0.00 -0.39 0.00 0.11 0.00 0.00 31.00 31.89 3g5a h PRO 176 CO 0.48 0.00 -0.75 0.42 -0.21 0.00 0.00 178.00 177.93 3g5a s ILE 177 N -4.97 0.11 -0.18 4.15 1.01 -1.26 0.26 121.20 120.31 3g5a s ILE 177 Ca -0.05 0.26 -0.28 0.00 0.00 0.00 0.00 60.65 60.59 3g5a s ILE 177 Cb 0.20 -0.34 0.09 0.00 0.01 0.00 0.00 42.46 42.41 3g5a s ILE 177 CO 0.73 0.19 0.80 0.00 0.00 0.00 0.00 174.94 176.66 3g5a s GLN 178 N 2.08 0.82 0.62 2.79 -2.07 -0.80 -5.01 119.66 118.10 3g5a s GLN 178 Ca 0.05 0.57 -0.18 0.00 -1.82 0.00 0.00 55.36 53.98 3g5a s GLN 178 Cb -0.12 0.40 -0.02 0.00 -1.09 0.00 0.00 33.01 32.17 3g5a s GLN 178 CO -0.04 -0.18 1.20 0.15 -1.32 0.00 0.00 175.29 175.10 3g5a s LYS 179 N -0.38 2.79 1.03 9.60 1.02 -1.26 0.21 119.74 132.75 3g5a s LYS 179 Ca -0.03 1.79 -0.12 0.00 0.02 0.00 0.00 55.97 57.62 3g5a s LYS 179 Cb -0.03 -1.91 0.18 0.00 -0.52 0.00 0.00 37.83 35.55 3g5a s LYS 179 CO 0.03 -1.34 0.88 0.25 -0.92 0.00 0.00 175.35 174.25 3g5a n THR 180 N -1.87 0.00 -1.80 2.17 -2.24 -0.66 -4.75 114.28 105.13 3g5a n THR 180 Ca 0.13 -0.21 -0.29 0.00 -2.27 0.00 0.00 64.05 61.41 3g5a n THR 180 Cb 0.50 -0.90 0.11 0.00 -2.10 0.00 0.00 70.33 67.93 3g5a n THR 180 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g5a s ASP 181 N -2.38 4.16 0.53 3.42 1.01 -1.26 -4.93 116.67 117.20 3g5a s ASP 181 Ca 0.65 0.81 0.27 0.00 0.71 0.00 0.00 52.55 54.99 3g5a s ASP 181 Cb -0.22 -1.30 1.46 0.00 1.01 0.00 0.00 42.92 43.87 3g5a s ASP 181 CO 0.63 -2.13 2.08 0.00 0.21 0.00 0.00 175.17 175.96 3g5a h ALA 182 N -1.21 1.31 0.00 5.23 0.00 -1.96 -1.01 119.26 121.62 3g5a h ALA 182 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3g5a h ALA 182 Cb 1.33 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.10 3g5a h ALA 182 CO 0.64 0.14 0.00 0.27 0.00 0.00 0.00 179.25 180.29 3g5a n ASN 183 N -3.67 0.51 -4.97 0.00 6.94 -1.26 -4.87 115.26 107.94 3g5a n ASN 183 Ca -0.02 0.57 -0.21 0.00 -0.02 0.00 0.00 54.58 54.91 3g5a n ASN 183 Cb 0.23 -0.70 -0.01 0.00 -2.36 0.00 0.00 39.78 36.94 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 -3.12 3.28 0.72 -2.53 0.52 -0.39 -4.93 118.94 112.50 3g5a s TRP 184 Ca 0.09 -0.01 -0.16 0.00 0.02 0.00 0.00 56.10 56.04 3g5a s TRP 184 Cb 0.13 -1.91 0.01 0.00 -1.15 0.00 0.00 33.47 30.55 3g5a s TRP 184 CO 0.49 0.08 1.04 -0.35 0.02 0.00 0.00 176.95 178.23 3g5a n PRO 185 N -1.66 0.55 -2.79 4.98 -0.04 -1.26 -4.87 135.00 129.91 3g5a n PRO 185 Ca -0.03 0.25 -0.43 0.00 -0.04 0.00 0.00 63.50 63.25 3g5a n PRO 185 Cb 0.57 -2.29 -0.04 0.00 -0.04 0.00 0.00 33.50 31.71 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 -1.66 6.41 0.22 3.54 2.15 -1.26 -4.74 116.67 121.34 3g5a s ASP 186 Ca 0.75 -0.11 -0.17 0.00 0.43 0.00 0.00 52.55 53.44 3g5a s ASP 186 Cb -0.34 -2.46 0.02 0.00 -0.30 0.00 0.00 42.92 39.84 3g5a s ASP 186 CO 0.49 -1.21 0.56 0.72 -0.17 0.00 0.00 175.17 175.56 3g5a s PHE 187 N 4.05 -0.05 0.03 -5.34 -0.71 -1.26 -4.98 117.98 109.72 3g5a s PHE 187 Ca 0.35 -0.32 -0.30 0.00 -1.04 0.00 0.00 56.93 55.62 3g5a s PHE 187 Cb -0.11 0.42 -0.04 0.00 -1.21 0.00 0.00 43.02 42.09 3g5a s PHE 187 CO 0.23 -1.00 0.97 0.71 -1.34 0.00 0.00 175.22 174.79 3g5a s TYR 188 N -3.91 3.70 -0.16 3.49 2.02 -0.08 -1.65 117.35 120.76 3g5a s TYR 188 Ca 0.12 1.71 -0.29 0.00 -0.37 0.00 0.00 57.07 58.24 3g5a s TYR 188 Cb -0.02 -3.09 -0.00 0.00 -0.40 0.00 0.00 41.96 38.44 3g5a s TYR 188 CO 0.01 0.05 1.01 1.03 -1.57 0.00 0.00 175.55 176.09 3g5a s ARG 189 N 0.73 4.35 -0.29 -0.62 0.52 0.13 -0.86 118.95 122.90 3g5a s ARG 189 Ca 0.50 1.36 -0.06 0.00 -0.52 0.00 0.00 55.73 57.01 3g5a s ARG 189 Cb -0.22 -3.59 0.01 0.00 0.52 0.00 0.00 34.95 31.68 3g5a s ARG 189 CO 0.28 -0.45 0.07 -0.51 0.02 0.00 0.00 175.30 174.71 3g5a s LEU 190 N 2.53 3.83 -0.56 2.53 1.43 -0.43 -1.90 118.68 126.11 3g5a s LEU 190 Ca 0.46 -0.78 0.04 0.00 -1.03 0.00 0.00 54.13 52.82 3g5a s LEU 190 Cb -0.17 -1.85 0.17 0.00 0.03 0.00 0.00 46.19 44.37 3g5a s LEU 190 CO 0.13 -0.20 0.42 -1.10 0.23 0.00 0.00 176.35 175.82 3g5a s GLN 191 N 1.47 1.69 0.00 1.70 -0.21 0.14 -1.25 119.66 123.19 3g5a s GLN 191 Ca 0.02 -2.73 0.18 0.00 0.02 0.00 0.00 55.36 52.85 3g5a s GLN 191 Cb -0.17 -2.42 0.52 0.00 1.00 0.00 0.00 33.01 31.93 3g5a s GLN 191 CO 0.02 -1.34 1.42 -0.35 -2.12 0.00 0.00 175.29 172.92 3g5a n PRO 192 N 2.41 2.09 -0.11 2.91 -0.05 -1.26 -3.97 135.00 137.01 3g5a n PRO 192 Ca 0.25 -1.67 0.04 0.00 -0.05 0.00 0.00 63.50 62.07 3g5a n PRO 192 Cb 0.41 -1.41 0.10 0.00 -0.05 0.00 0.00 33.50 32.56 3g5a n PRO 192 CO 0.00 0.00 0.00 -0.11 -0.05 0.00 0.00 175.50 175.34 3g5a n LEU 193 N 0.86 2.54 -0.10 1.53 7.94 -1.26 -4.40 117.00 124.11 3g5a n LEU 193 Ca 0.17 -1.86 0.02 0.00 -1.11 0.00 0.00 56.01 53.23 3g5a n LEU 193 Cb 0.42 -0.15 0.34 0.00 0.53 0.00 0.00 43.42 44.56 3g5a n LEU 193 CO 0.12 0.62 1.18 -0.07 -1.11 0.00 0.00 177.39 178.14 3g5a h LEU 194 N 1.49 0.65 -0.16 -1.96 3.38 -1.71 -2.11 115.31 114.90 3g5a h LEU 194 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g5a h LEU 194 Cb 0.62 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.21 3g5a h LEU 194 CO 0.00 0.48 -0.06 0.00 0.09 0.00 0.00 178.44 178.95 3g5a n HIS 195 N -4.44 0.00 -2.61 1.13 1.44 -1.26 -0.66 115.22 108.82 3g5a n HIS 195 Ca 0.05 0.00 -0.41 0.00 -2.01 0.00 0.00 57.72 55.35 3g5a n HIS 195 Cb 0.06 -0.18 -0.04 0.00 0.12 0.00 0.00 29.99 29.94 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 -2.43 3.70 0.56 -1.40 0.52 -0.79 -5.01 118.94 114.09 3g5a s TRP 196 Ca 0.31 1.69 0.08 0.00 0.02 0.00 0.00 56.10 58.20 3g5a s TRP 196 Cb 0.20 -3.17 0.06 0.00 -1.15 0.00 0.00 33.47 29.41 3g5a s TRP 196 CO 0.45 -0.24 0.60 0.54 0.02 0.00 0.00 176.95 178.32 3g5a s ASN 197 N -0.11 4.86 0.19 2.95 2.20 -1.26 -4.70 114.94 119.07 3g5a s ASN 197 Ca 0.48 -1.05 -0.13 0.00 -0.94 0.00 0.00 52.86 51.22 3g5a s ASN 197 Cb -0.27 0.36 0.09 0.00 -2.00 0.00 0.00 41.25 39.44 3g5a s ASN 197 CO 0.33 -1.22 1.85 0.25 -2.94 0.00 0.00 177.10 175.37 3g5a h LEU 198 N 0.47 0.69 -0.61 3.54 5.85 -1.95 -2.42 115.31 120.88 3g5a h LEU 198 Ca -0.33 -0.02 0.05 0.00 0.84 0.00 0.00 57.88 58.42 3g5a h LEU 198 Cb 1.30 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.10 3g5a h LEU 198 CO 0.49 0.50 0.34 0.00 -0.34 0.00 0.00 178.44 179.43 3g5a h ALA 199 N 1.22 0.80 -0.58 1.25 0.00 -1.87 -1.47 119.26 118.61 3g5a h ALA 199 Ca 0.22 0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.16 3g5a h ALA 199 Cb -0.10 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 3g5a h ALA 199 CO -0.05 0.02 0.37 -0.91 0.00 0.00 0.00 179.25 178.69 3g5a h ASN 200 N 0.64 0.63 0.64 0.00 -0.26 -1.83 -0.40 115.58 115.01 3g5a h ASN 200 Ca 0.27 -0.01 -0.03 0.00 -0.56 0.00 0.00 56.30 55.97 3g5a h ASN 200 Cb 0.14 -0.15 0.00 0.00 -1.06 0.00 0.00 38.32 37.25 3g5a h ASN 200 CO -0.16 0.45 -0.32 0.40 -1.06 0.00 0.00 177.43 176.74 3g5a h ILE 201 N 0.75 0.35 -0.50 2.81 1.08 -0.91 -2.40 117.51 118.68 3g5a h ILE 201 Ca 0.22 0.00 0.03 0.00 -0.39 0.00 0.00 64.86 64.72 3g5a h ILE 201 Cb -0.04 0.35 -0.03 0.00 -3.07 0.00 0.00 36.82 34.02 3g5a h ILE 201 CO -0.07 0.00 0.29 -0.50 -0.69 0.00 0.00 178.15 177.18 3g5a h TRP 202 N -0.88 0.53 -0.07 1.37 -0.00 -1.25 -0.12 115.95 115.53 3g5a h TRP 202 Ca -0.09 0.02 0.03 0.00 -0.00 0.00 0.00 58.89 58.86 3g5a h TRP 202 Cb 0.68 -0.17 -0.04 0.00 -0.00 0.00 0.00 29.16 29.63 3g5a h TRP 202 CO -0.04 0.30 -0.16 1.03 -0.00 0.00 0.00 178.44 179.57 3g5a h SER 203 N 0.57 -0.48 -0.18 -3.49 0.87 -1.01 -0.05 113.55 109.78 3g5a h SER 203 Ca 0.20 0.08 -0.14 0.00 -1.23 0.00 0.00 61.79 60.71 3g5a h SER 203 Cb 0.04 0.22 0.00 0.00 -0.44 0.00 0.00 62.40 62.22 3g5a h SER 203 CO -0.10 -0.21 -0.42 0.15 -0.53 0.00 0.00 176.83 175.72 3g5a h PHE 204 N -0.23 0.76 -0.68 2.24 3.57 -1.34 -1.82 116.94 119.44 3g5a h PHE 204 Ca 0.08 -0.29 -0.04 0.00 3.53 0.00 0.00 57.97 61.25 3g5a h PHE 204 Cb 0.33 -0.14 -0.03 0.00 2.79 0.00 0.00 35.95 38.91 3g5a h PHE 204 CO -0.25 1.05 0.27 1.25 -2.23 0.00 0.00 178.31 178.40 3g5a h LEU 205 N 0.26 0.94 -0.32 0.59 5.85 -0.85 -1.22 115.31 120.55 3g5a h LEU 205 Ca -0.00 -0.17 -0.11 0.00 0.84 0.00 0.00 57.88 58.44 3g5a h LEU 205 Cb 1.03 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.81 3g5a h LEU 205 CO 0.09 0.86 -0.23 -0.07 -0.34 0.00 0.00 178.44 178.75 3g5a h LEU 206 N 0.97 0.76 -1.66 2.25 3.38 -1.02 -2.90 115.31 117.08 3g5a h LEU 206 Ca 0.23 -0.44 0.00 0.00 0.09 0.00 0.00 57.88 57.76 3g5a h LEU 206 Cb 0.21 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.73 3g5a h LEU 206 CO -0.02 1.03 0.21 0.22 0.09 0.00 0.00 178.44 179.97 3g5a h TYR 207 N 0.48 0.42 0.00 1.13 3.20 -1.16 -2.97 116.97 118.07 3g5a h TYR 207 Ca 0.06 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 3g5a h TYR 207 Cb 0.78 -0.14 -0.00 0.00 1.54 0.00 0.00 36.73 38.91 3g5a h TYR 207 CO 0.07 0.27 -0.06 0.66 -1.64 0.00 0.00 178.16 177.45 3g5a h SER 208 N 0.45 0.00 -1.59 -2.11 4.64 -1.00 0.42 113.55 114.36 3g5a h SER 208 Ca 0.12 0.00 -0.35 0.00 -0.47 0.00 0.00 61.79 61.09 3g5a h SER 208 Cb -0.04 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 61.97 3g5a h SER 208 CO -0.02 0.06 -0.38 -3.20 -0.87 0.00 0.00 176.83 172.42 3g5a n ASN 209 N -4.13 -5.11 -4.85 4.97 5.15 -1.12 -4.48 115.26 105.68 3g5a n ASN 209 Ca -0.03 0.23 -0.32 0.00 -0.60 0.00 0.00 54.58 53.86 3g5a n ASN 209 Cb 0.15 -4.17 -0.06 0.00 -0.53 0.00 0.00 39.78 35.16 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 -4.12 3.97 0.25 1.20 0.41 -1.26 -4.85 118.70 114.30 3g5a s GLU 210 Ca 0.00 0.60 -0.30 0.00 -0.41 0.00 0.00 54.97 54.87 3g5a s GLU 210 Cb 0.00 -2.47 -0.10 0.00 -1.78 0.00 0.00 34.13 29.78 3g5a s GLU 210 CO 0.00 0.19 1.37 -1.25 -0.49 0.00 0.00 175.26 175.08 3g5a s PRO 211 N -2.94 4.32 0.28 0.39 0.04 -1.26 -5.00 135.00 130.83 3g5a s PRO 211 Ca 0.53 2.21 0.11 0.00 0.04 0.00 0.00 61.00 63.89 3g5a s PRO 211 Cb -0.10 -3.12 -0.05 0.00 0.04 0.00 0.00 34.50 31.26 3g5a s PRO 211 CO 0.18 -0.32 -0.11 0.96 0.04 0.00 0.00 177.00 177.75 3g5a s ILE 212 N -0.22 2.90 -0.10 0.56 -4.36 -1.26 -5.06 121.20 113.66 3g5a s ILE 212 Ca 0.56 -2.18 -0.36 0.00 -0.26 0.00 0.00 60.65 58.42 3g5a s ILE 212 Cb -0.40 -2.56 -0.13 0.00 1.25 0.00 0.00 42.46 40.62 3g5a s ILE 212 CO 0.44 -0.38 1.78 0.00 0.24 0.00 0.00 174.94 177.02 3g5a h GLU 214 N 8.02 0.00 -0.65 0.00 4.57 -1.91 -2.25 114.58 122.35 3g5a h GLU 214 Ca -0.47 0.00 0.15 0.00 -1.18 0.00 0.00 59.36 57.86 3g5a h GLU 214 Cb 1.29 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.84 3g5a h GLU 214 CO 0.93 0.00 0.45 -0.07 -1.18 0.00 0.00 179.01 179.14 3g5a h LEU 215 N 0.00 0.19 -0.75 1.64 3.38 -1.96 -2.03 115.31 115.79 3g5a h LEU 215 Ca 0.01 0.01 -0.11 0.00 0.09 0.00 0.00 57.88 57.88 3g5a h LEU 215 Cb 0.15 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3g5a h LEU 215 CO -0.00 0.10 -0.27 1.88 0.09 0.00 0.00 178.44 180.24 3g5a h TYR 216 N 0.21 0.74 -0.07 1.13 0.05 -1.59 -2.28 116.97 115.16 3g5a h TYR 216 Ca 0.31 -0.18 0.02 0.00 0.05 0.00 0.00 58.73 58.94 3g5a h TYR 216 Cb 0.94 -0.17 -0.00 0.00 1.01 0.00 0.00 36.73 38.50 3g5a h TYR 216 CO -0.00 0.85 0.06 -0.09 -1.05 0.00 0.00 178.16 177.94 3g5a h ARG 217 N 0.56 0.00 -0.71 4.88 9.65 -1.54 0.36 114.38 127.58 3g5a h ARG 217 Ca 0.07 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.95 3g5a h ARG 217 Cb 0.76 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.34 3g5a h ARG 217 CO 0.06 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.49 3g5a n TYR 218 N -4.11 1.09 0.00 2.20 4.01 -0.88 -4.12 117.16 115.35 3g5a n TYR 218 Ca -0.01 -0.51 0.00 0.00 -0.16 0.00 0.00 57.90 57.22 3g5a n TYR 218 Cb 0.16 -0.06 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 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 1.52 0.79 3.76 2.72 0.00 -0.82 -4.66 105.19 108.51 3g5a n GLY 219 Ca 0.24 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.86 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 3.42 0.00 1.61 0.08 -1.07 -0.63 117.98 119.39 3g5a s PHE 220 Ca 0.00 1.61 0.00 0.00 0.12 0.00 0.00 56.93 58.66 3g5a s PHE 220 Cb 0.00 -3.40 0.00 0.00 -0.57 0.00 0.00 43.02 39.05 3g5a s PHE 220 CO 0.00 -0.94 0.00 0.25 -0.10 0.00 0.00 175.22 174.43 3g5a n THR 221 N 1.10 0.00 -4.50 0.64 -2.24 -1.26 -4.02 114.28 104.00 3g5a n THR 221 Ca -0.01 0.00 -0.23 0.00 -2.27 0.00 0.00 64.05 61.54 3g5a n THR 221 Cb 0.44 0.09 -0.16 0.00 -2.10 0.00 0.00 70.33 68.59 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 -2.22 1.53 -0.73 3.42 0.15 -1.23 -4.95 113.70 109.67 3g5a s SER 222 Ca 0.00 -0.25 -0.09 0.00 0.70 0.00 0.00 55.95 56.31 3g5a s SER 222 Cb 0.00 -0.60 0.19 0.00 -1.71 0.00 0.00 66.02 63.90 3g5a s SER 222 CO 0.00 0.04 0.61 -0.76 1.20 0.00 0.00 173.24 174.33 3g5a s LEU 223 N 0.49 6.06 0.00 3.45 1.43 -1.26 -4.87 118.68 123.98 3g5a s LEU 223 Ca -0.10 -2.74 0.00 0.00 -1.03 0.00 0.00 54.13 50.26 3g5a s LEU 223 Cb -0.13 -2.05 0.00 0.00 0.03 0.00 0.00 46.19 44.04 3g5a s LEU 223 CO 0.02 -0.49 0.00 0.61 0.23 0.00 0.00 176.35 176.72 3g5a n GLY 224 N 3.79 1.17 3.86 -3.19 0.00 -1.26 -5.08 105.19 104.48 3g5a n GLY 224 Ca 0.10 -1.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.15 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 -1.00 4.90 0.41 1.61 2.20 -1.26 -4.70 114.94 117.10 3g5a s ASN 225 Ca 0.00 1.11 0.20 0.00 -0.94 0.00 0.00 52.86 53.23 3g5a s ASN 225 Cb 0.00 -1.83 0.90 0.00 -2.00 0.00 0.00 41.25 38.32 3g5a s ASN 225 CO 0.00 -1.69 1.85 -0.37 -2.94 0.00 0.00 177.10 173.95 3g5a h VAL 226 N -0.90 0.88 -0.16 3.54 -1.51 -1.16 -1.83 116.25 115.11 3g5a h VAL 226 Ca -0.46 -1.18 -0.10 0.00 -1.23 0.00 0.00 66.70 63.73 3g5a h VAL 226 Cb 1.27 1.71 -0.00 0.00 -2.13 0.00 0.00 31.29 32.14 3g5a h VAL 226 CO 0.63 0.30 -0.27 -0.08 -1.23 0.00 0.00 177.57 176.91 3g5a h GLU 227 N 0.00 0.47 0.00 5.19 4.22 -1.93 -3.37 114.58 119.17 3g5a h GLU 227 Ca -0.00 -0.29 -0.06 0.00 0.08 0.00 0.00 59.36 59.09 3g5a h GLU 227 Cb 0.68 0.03 -0.01 0.00 0.50 0.00 0.00 28.75 29.95 3g5a h GLU 227 CO 0.04 0.89 -1.02 1.05 -2.18 0.00 0.00 179.01 177.78 3g5a h GLU 228 N 0.10 0.00 -5.28 1.92 4.11 -1.90 -3.44 114.58 110.09 3g5a h GLU 228 Ca 0.01 0.00 -0.61 0.00 0.07 0.00 0.00 59.36 58.83 3g5a h GLU 228 Cb 0.85 0.00 -0.13 0.00 0.50 0.00 0.00 28.75 29.98 3g5a h GLU 228 CO 0.06 0.12 -0.31 0.99 0.07 0.00 0.00 179.01 179.94 3g5a s THR 229 N -3.19 5.26 0.26 -1.06 2.01 -0.71 -0.39 115.64 117.82 3g5a s THR 229 Ca -0.00 0.51 0.11 0.00 0.31 0.00 0.00 61.69 62.61 3g5a s THR 229 Cb 0.09 -3.64 -0.05 0.00 0.01 0.00 0.00 72.50 68.91 3g5a s THR 229 CO 0.78 0.28 -0.15 -0.76 -0.69 0.00 0.00 174.62 174.09 3g5a s LEU 230 N 1.26 2.75 0.73 4.42 1.43 -0.43 -4.92 118.68 123.91 3g5a s LEU 230 Ca 0.15 -0.89 -0.16 0.00 -1.03 0.00 0.00 54.13 52.19 3g5a s LEU 230 Cb -0.14 -1.29 -0.01 0.00 0.03 0.00 0.00 46.19 44.77 3g5a s LEU 230 CO 0.07 0.04 0.76 -2.65 0.23 0.00 0.00 176.35 174.80 3g5a n PRO 231 N -0.57 0.38 -2.29 1.29 -0.02 -1.26 -4.50 135.00 128.03 3g5a n PRO 231 Ca -0.06 0.18 -0.42 0.00 -2.02 0.00 0.00 63.50 61.17 3g5a n PRO 231 Cb 0.59 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 32.01 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 -1.58 6.88 0.64 2.55 3.84 0.20 -4.57 114.94 122.90 3g5a s ASN 232 Ca 0.69 1.93 0.40 0.00 0.21 0.00 0.00 52.86 56.10 3g5a s ASN 232 Cb -0.34 -2.55 2.22 0.00 -0.55 0.00 0.00 41.25 40.03 3g5a s ASN 232 CO 0.54 -0.76 2.33 1.55 -2.79 0.00 0.00 177.10 177.97 3g5a h PRO 233 N 8.25 0.00 0.00 0.43 0.13 -1.89 0.18 132.00 139.11 3g5a h PRO 233 Ca -0.33 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.80 3g5a h PRO 233 Cb 1.15 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.28 3g5a h PRO 233 CO 0.93 0.00 0.00 0.72 -0.23 0.00 0.00 178.00 179.43 3g5a n HIS 234 N -3.31 0.68 -0.06 1.56 8.25 -1.26 -2.59 115.22 118.48 3g5a n HIS 234 Ca -0.03 0.24 0.11 0.00 -0.26 0.00 0.00 57.72 57.78 3g5a n HIS 234 Cb 0.08 -0.88 0.25 0.00 1.12 0.00 0.00 29.99 30.56 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 -2.09 3.57 -4.72 2.41 4.77 0.05 -4.98 117.00 116.01 3g5a n LEU 235 Ca 0.04 -1.78 -0.42 0.00 -0.03 0.00 0.00 56.01 53.82 3g5a n LEU 235 Cb 0.30 -0.35 -0.03 0.00 -2.33 0.00 0.00 43.42 41.01 3g5a n LEU 235 CO 0.23 0.84 1.06 -0.60 -1.33 0.00 0.00 177.39 177.59 3g5a s ARG 236 N -1.18 4.32 0.11 3.23 3.52 -1.07 -1.35 118.95 126.53 3g5a s ARG 236 Ca 0.41 2.09 -0.30 0.00 -0.13 0.00 0.00 55.73 57.80 3g5a s ARG 236 Cb 0.22 -3.23 -0.06 0.00 -1.56 0.00 0.00 34.95 30.32 3g5a s ARG 236 CO 0.30 -0.42 1.05 0.15 -0.81 0.00 0.00 175.30 175.57 3g5a s LYS 237 N 0.90 4.60 -0.28 5.12 1.02 0.64 -4.90 119.74 126.85 3g5a s LYS 237 Ca 0.64 1.59 -0.19 0.00 0.02 0.00 0.00 55.97 58.02 3g5a s LYS 237 Cb -0.37 -3.35 0.09 0.00 -0.52 0.00 0.00 37.83 33.68 3g5a s LYS 237 CO 0.32 0.05 0.77 0.34 -0.92 0.00 0.00 175.35 175.91 3g5a s ASP 238 N 0.29 -0.78 0.45 2.83 2.15 -1.26 -4.66 116.67 115.68 3g5a s ASP 238 Ca 0.50 1.33 0.27 0.00 0.43 0.00 0.00 52.55 55.09 3g5a s ASP 238 Cb -0.26 1.33 1.47 0.00 -0.30 0.00 0.00 42.92 45.16 3g5a s ASP 238 CO 0.31 -0.22 1.81 0.50 -0.17 0.00 0.00 175.17 177.40 3g5a h LYS 239 N 6.04 0.00 -0.01 4.34 1.63 -2.00 -1.24 116.57 125.33 3g5a h LYS 239 Ca -0.29 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.51 3g5a h LYS 239 Cb 1.20 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.83 3g5a h LYS 239 CO 0.13 0.00 -0.48 0.09 -3.45 0.00 0.00 179.45 175.74 3g5a n ASN 240 N -2.50 1.12 -4.82 4.20 3.02 -1.26 -4.79 115.26 110.24 3g5a n ASN 240 Ca -0.02 -0.89 -0.36 0.00 -0.03 0.00 0.00 54.58 53.28 3g5a n ASN 240 Cb 0.12 0.37 -0.07 0.00 -0.61 0.00 0.00 39.78 39.60 3g5a n ASN 240 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 3g5a s SER 241 N -2.69 6.28 0.27 6.41 0.01 -0.47 -5.08 113.70 118.44 3g5a s SER 241 Ca 0.17 0.37 -0.30 0.00 1.31 0.00 0.00 55.95 57.50 3g5a s SER 241 Cb 0.18 -2.06 -0.12 0.00 0.21 0.00 0.00 66.02 64.23 3g5a s SER 241 CO 0.63 0.33 1.62 0.41 0.41 0.00 0.00 173.24 176.63 3g5a n THR 242 N 2.54 0.81 -1.53 1.44 -1.04 -1.26 -4.76 114.28 110.49 3g5a n THR 242 Ca -0.19 -0.20 -0.45 0.00 -2.04 0.00 0.00 64.05 61.17 3g5a n THR 242 Cb 0.54 -1.96 -0.02 0.00 -1.82 0.00 0.00 70.33 67.08 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 2.51 0.93 -2.98 -2.82 -0.02 -1.26 -4.95 135.00 126.40 3g5a n PRO 243 Ca 0.10 0.33 -0.34 0.00 -2.02 0.00 0.00 63.50 61.57 3g5a n PRO 243 Cb 0.36 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.19 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 1.23 4.08 0.06 2.45 1.43 -1.26 -5.06 118.68 121.62 3g5a s LEU 244 Ca 0.60 1.50 -0.24 0.00 -1.03 0.00 0.00 54.13 54.97 3g5a s LEU 244 Cb -0.76 -4.18 -0.06 0.00 0.03 0.00 0.00 46.19 41.22 3g5a s LEU 244 CO 0.59 -0.22 0.73 -0.54 0.23 0.00 0.00 176.35 177.14 3g5a s LYS 245 N -2.84 4.46 -0.10 1.70 1.02 -1.26 -5.06 119.74 117.67 3g5a s LYS 245 Ca 0.55 1.01 -0.23 0.00 0.02 0.00 0.00 55.97 57.33 3g5a s LYS 245 Cb -0.11 -3.33 -0.03 0.00 -0.52 0.00 0.00 37.83 33.83 3g5a s LYS 245 CO 0.17 0.38 0.67 -1.17 -0.92 0.00 0.00 175.35 174.48 3g5a s LEU 246 N -0.38 4.28 0.00 3.17 2.96 -1.26 -4.89 118.68 122.56 3g5a s LEU 246 Ca 0.36 1.09 0.26 0.00 -0.22 0.00 0.00 54.13 55.62 3g5a s LEU 246 Cb -0.21 -3.02 0.62 0.00 0.50 0.00 0.00 46.19 44.09 3g5a s LEU 246 CO 0.22 -0.14 1.48 0.59 -1.32 0.00 0.00 176.35 177.19 3g5a n ASN 247 N 4.02 1.02 -1.21 3.68 3.02 -1.26 -4.49 115.26 120.03 3g5a n ASN 247 Ca -0.02 -0.84 0.02 0.00 -0.03 0.00 0.00 54.58 53.71 3g5a n ASN 247 Cb 0.51 0.21 0.12 0.00 -0.61 0.00 0.00 39.78 40.00 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 -0.76 0.39 0.03 3.10 3.72 -1.26 -4.79 117.46 117.89 3g5a n PHE 248 Ca 0.11 -1.30 -0.03 0.00 -0.05 0.00 0.00 57.45 56.18 3g5a n PHE 248 Cb 0.36 -0.23 0.21 0.00 -0.94 0.00 0.00 39.48 38.88 3g5a n PHE 248 CO 0.00 0.00 0.00 1.05 -0.05 0.00 0.00 176.76 177.76 3g5a h GLU 249 N 1.25 0.45 -0.24 -1.08 4.11 -2.00 -2.36 114.58 114.70 3g5a h GLU 249 Ca -0.05 -0.17 -0.01 0.00 0.07 0.00 0.00 59.36 59.20 3g5a h GLU 249 Cb 1.37 -0.03 -0.01 0.00 0.50 0.00 0.00 28.75 30.59 3g5a h GLU 249 CO 0.13 0.67 0.09 2.35 0.07 0.00 0.00 179.01 182.32 3g5a h TRP 250 N 0.40 0.37 -0.21 2.06 7.01 -1.96 -0.24 115.95 123.37 3g5a h TRP 250 Ca 0.06 -0.03 0.04 0.00 2.11 0.00 0.00 58.89 61.07 3g5a h TRP 250 Cb 0.66 -0.11 -0.04 0.00 -2.10 0.00 0.00 29.16 27.58 3g5a h TRP 250 CO 0.02 0.40 -0.03 0.93 -2.79 0.00 0.00 178.44 176.97 3g5a h GLU 251 N 0.23 0.03 0.05 2.65 3.07 -1.89 0.53 114.58 119.24 3g5a h GLU 251 Ca 0.08 -0.00 -0.00 0.00 -0.50 0.00 0.00 59.36 58.94 3g5a h GLU 251 Cb 0.19 -0.01 -0.00 0.00 -0.84 0.00 0.00 28.75 28.09 3g5a h GLU 251 CO -0.01 0.02 -0.04 0.82 -1.40 0.00 0.00 179.01 178.40 3g5a h ILE 252 N 0.03 0.91 0.00 3.13 2.04 -1.25 -0.24 117.51 122.13 3g5a h ILE 252 Ca 0.10 0.00 -0.05 0.00 1.00 0.00 0.00 64.86 65.91 3g5a h ILE 252 Cb 0.15 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 37.13 3g5a h ILE 252 CO -0.20 0.00 -0.25 -0.33 0.00 0.00 0.00 178.15 177.37 3g5a h GLU 253 N -0.10 0.00 -0.15 2.37 5.08 -0.85 -2.97 114.58 117.96 3g5a h GLU 253 Ca -0.00 0.00 -0.07 0.00 -1.00 0.00 0.00 59.36 58.29 3g5a h GLU 253 Cb 0.09 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 29.30 3g5a h GLU 253 CO -0.00 0.25 -0.26 0.09 -1.00 0.00 0.00 179.01 178.09 3g5a n ASN 254 N -3.71 2.18 -4.74 1.42 4.13 0.16 -5.06 115.26 109.64 3g5a n ASN 254 Ca -0.01 -3.72 -0.35 0.00 1.68 0.00 0.00 54.58 52.17 3g5a n ASN 254 Cb 0.36 -0.56 0.06 0.00 -1.54 0.00 0.00 39.78 38.11 3g5a n ASN 254 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g5a s ARG 255 N -3.18 2.56 0.06 3.52 1.70 -0.11 -4.83 118.95 118.67 3g5a s ARG 255 Ca 0.40 1.78 -0.33 0.00 -0.47 0.00 0.00 55.73 57.11 3g5a s ARG 255 Cb 0.37 -1.88 -0.12 0.00 -0.57 0.00 0.00 34.95 32.75 3g5a s ARG 255 CO -0.03 -1.51 1.78 0.98 -1.08 0.00 0.00 175.30 175.44 3g5a n TYR 256 N -2.17 2.42 -2.69 5.89 9.36 0.15 -4.92 117.16 125.19 3g5a n TYR 256 Ca 0.13 0.01 -0.41 0.00 3.32 0.00 0.00 57.90 60.95 3g5a n TYR 256 Cb 0.50 -2.66 -0.04 0.00 -0.63 0.00 0.00 39.34 36.51 3g5a n TYR 256 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3g5a s LYS 257 N 2.69 4.68 0.34 2.98 1.02 -1.26 -4.62 119.74 125.57 3g5a s LYS 257 Ca 0.85 1.49 0.08 0.00 0.02 0.00 0.00 55.97 58.41 3g5a s LYS 257 Cb -0.61 -3.36 -0.03 0.00 -0.52 0.00 0.00 37.83 33.31 3g5a s LYS 257 CO 0.42 0.19 0.27 -1.01 -0.92 0.00 0.00 175.35 174.30 3g5a s HIS 258 N -0.02 2.85 0.00 3.18 3.76 -1.26 -5.09 115.29 118.71 3g5a s HIS 258 Ca 0.47 -0.33 0.00 0.00 -0.15 0.00 0.00 55.06 55.05 3g5a s HIS 258 Cb -0.24 -1.79 0.00 0.00 1.11 0.00 0.00 32.58 31.65 3g5a s HIS 258 CO 0.30 0.19 0.00 0.27 -0.85 0.00 0.00 174.74 174.66 3g5a n ASN 259 N -1.34 0.95 0.07 1.40 0.23 -1.26 -4.85 115.26 110.46 3g5a n ASN 259 Ca -0.02 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.94 3g5a n ASN 259 Cb 0.60 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.32 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 0.29 -0.29 -3.83 5.08 -2.01 -0.55 114.58 113.27 3g5a h GLU 260 Ca 0.00 -0.27 -0.14 0.00 -1.00 0.00 0.00 59.36 57.95 3g5a h GLU 260 Cb 0.00 0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 3g5a h GLU 260 CO 0.00 0.94 -0.39 0.28 -1.00 0.00 0.00 179.01 178.85 3g5a h VAL 261 N 0.19 1.29 0.00 3.13 2.07 -2.01 -3.39 116.25 117.53 3g5a h VAL 261 Ca -0.04 -1.55 0.00 0.00 0.82 0.00 0.00 66.70 65.93 3g5a h VAL 261 Cb 1.38 1.48 0.00 0.00 -1.52 0.00 0.00 31.29 32.63 3g5a h VAL 261 CO 0.13 0.50 -0.77 0.35 0.02 0.00 0.00 177.57 177.79 3g5a n THR 262 N -4.04 0.00 -1.39 2.57 -2.24 -1.17 -4.87 114.28 103.14 3g5a n THR 262 Ca -0.02 -0.25 -0.35 0.00 -2.27 0.00 0.00 64.05 61.16 3g5a n THR 262 Cb 0.52 0.79 0.10 0.00 -2.10 0.00 0.00 70.33 69.64 3g5a n THR 262 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 3g5a s LYS 263 N -2.20 2.03 0.03 -0.78 2.20 -0.22 -4.81 119.74 115.99 3g5a s LYS 263 Ca 0.02 1.90 0.04 0.00 -0.36 0.00 0.00 55.97 57.56 3g5a s LYS 263 Cb 0.08 -1.80 -0.02 0.00 -1.51 0.00 0.00 37.83 34.57 3g5a s LYS 263 CO 0.43 -1.95 -0.12 0.00 -0.36 0.00 0.00 175.35 173.35 3g5a s ALA 264 N -1.81 0.98 -0.08 3.13 0.00 -1.26 -5.03 121.76 117.68 3g5a s ALA 264 Ca 0.77 -0.74 -0.06 0.00 0.00 0.00 0.00 51.96 51.93 3g5a s ALA 264 Cb -0.33 -0.14 -0.04 0.00 0.00 0.00 0.00 23.12 22.61 3g5a s ALA 264 CO 0.46 0.17 0.17 -1.21 0.00 0.00 0.00 175.76 175.35 3g5a s GLU 265 N -1.06 3.47 0.41 0.00 0.41 -1.26 -4.97 118.70 115.69 3g5a s GLU 265 Ca -0.00 -0.14 -0.23 0.00 -0.41 0.00 0.00 54.97 54.19 3g5a s GLU 265 Cb -0.07 -3.17 -0.10 0.00 -1.78 0.00 0.00 34.13 29.01 3g5a s GLU 265 CO 0.01 0.75 0.99 -1.25 -0.49 0.00 0.00 175.26 175.27 3g5a s PRO 266 N -1.26 4.22 -0.11 0.39 0.04 -1.26 -4.92 135.00 132.10 3g5a s PRO 266 Ca 0.19 1.33 -0.02 0.00 0.04 0.00 0.00 61.00 62.54 3g5a s PRO 266 Cb -0.12 -2.42 -0.03 0.00 0.04 0.00 0.00 34.50 31.97 3g5a s PRO 266 CO 0.08 -0.06 -0.03 0.42 0.04 0.00 0.00 177.00 177.45 3g5a s ILE 267 N -1.85 4.02 0.69 0.56 1.01 -1.26 -5.12 121.20 119.25 3g5a s ILE 267 Ca 0.59 -0.34 -0.11 0.00 0.00 0.00 0.00 60.65 60.79 3g5a s ILE 267 Cb -0.16 -2.71 0.00 0.00 0.01 0.00 0.00 42.46 39.60 3g5a s ILE 267 CO 0.21 0.56 1.06 -2.16 0.00 0.00 0.00 174.94 174.61 3g5a s PRO 268 N -0.38 2.98 0.48 2.79 0.04 -1.26 -4.77 135.00 134.88 3g5a s PRO 268 Ca 0.06 0.78 -0.24 0.00 0.04 0.00 0.00 61.00 61.65 3g5a s PRO 268 Cb -0.12 -2.01 -0.07 0.00 0.04 0.00 0.00 34.50 32.34 3g5a s PRO 268 CO 0.02 -1.02 1.38 1.51 0.04 0.00 0.00 177.00 178.93 3g5a n ILE 269 N -3.05 3.11 -1.60 0.56 3.06 -1.26 -4.95 119.36 115.23 3g5a n ILE 269 Ca 0.07 -0.50 -0.44 0.00 -2.50 0.00 0.00 62.75 59.38 3g5a n ILE 269 Cb 0.55 -1.74 -0.01 0.00 0.54 0.00 0.00 39.64 38.97 3g5a n ILE 269 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g5a n ALA 270 N -0.49 -0.11 -0.30 1.51 0.00 -1.26 -4.80 120.51 115.06 3g5a n ALA 270 Ca 0.07 0.38 0.07 0.00 0.00 0.00 0.00 53.44 53.96 3g5a n ALA 270 Cb 0.42 -2.04 0.23 0.00 0.00 0.00 0.00 19.45 18.06 3g5a n ALA 270 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3g5a h ASP 271 N 1.99 0.53 0.52 0.00 3.32 -2.00 -1.27 116.42 119.51 3g5a h ASP 271 Ca -0.40 0.09 -0.05 0.00 0.02 0.00 0.00 57.03 56.69 3g5a h ASP 271 Cb 1.34 0.01 -0.01 0.00 0.22 0.00 0.00 39.33 40.89 3g5a h ASP 271 CO 0.60 0.22 -0.23 1.05 -1.72 0.00 0.00 179.24 179.16 3g5a h GLU 272 N 0.63 0.00 0.02 3.56 4.11 -2.00 -2.43 114.58 118.46 3g5a h GLU 272 Ca 0.47 0.00 -0.22 0.00 0.07 0.00 0.00 59.36 59.68 3g5a h GLU 272 Cb 0.66 0.00 -0.03 0.00 0.50 0.00 0.00 28.75 29.89 3g5a h GLU 272 CO -0.36 0.23 -1.05 -0.44 0.07 0.00 0.00 179.01 177.46 3g5a h ASP 273 N 0.00 0.06 -0.41 3.06 3.32 -1.62 -2.85 116.42 117.98 3g5a h ASP 273 Ca -0.00 -0.06 -0.00 0.00 0.02 0.00 0.00 57.03 56.98 3g5a h ASP 273 Cb 0.55 -0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.07 3g5a h ASP 273 CO 0.03 1.05 0.25 0.25 -1.72 0.00 0.00 179.24 179.10 3g5a h LEU 274 N 0.01 0.48 -0.43 1.55 5.85 -1.07 -1.38 115.31 120.32 3g5a h LEU 274 Ca -0.03 -0.05 0.06 0.00 0.84 0.00 0.00 57.88 58.69 3g5a h LEU 274 Cb 1.80 -0.12 -0.05 0.00 0.37 0.00 0.00 40.66 42.66 3g5a h LEU 274 CO 0.14 0.39 0.14 0.58 -0.34 0.00 0.00 178.44 179.35 3g5a h VAL 275 N 0.54 0.85 -0.30 1.05 2.07 -1.51 0.27 116.25 119.22 3g5a h VAL 275 Ca 0.15 -0.10 0.06 0.00 0.82 0.00 0.00 66.70 67.62 3g5a h VAL 275 Cb -0.01 0.52 -0.06 0.00 -1.52 0.00 0.00 31.29 30.23 3g5a h VAL 275 CO -0.03 0.06 -0.07 0.50 0.02 0.00 0.00 177.57 178.05 3g5a h LYS 276 N 0.30 0.00 -0.01 1.57 3.64 -1.31 -0.97 116.57 119.81 3g5a h LYS 276 Ca 0.20 -0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.58 3g5a h LYS 276 Cb 0.20 -0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.02 3g5a h LYS 276 CO -0.21 0.00 0.00 0.82 -2.27 0.00 0.00 179.45 177.79 3g5a h ILE 277 N 0.00 1.19 -0.63 2.00 5.03 -0.48 -3.11 117.51 121.51 3g5a h ILE 277 Ca 0.14 -0.57 0.10 0.00 -0.12 0.00 0.00 64.86 64.42 3g5a h ILE 277 Cb 0.22 1.56 -0.08 0.00 -3.03 0.00 0.00 36.82 35.49 3g5a h ILE 277 CO -0.30 0.15 0.24 -0.33 -0.68 0.00 0.00 178.15 177.23 3g5a h GLU 278 N -0.22 0.41 -0.28 2.37 5.08 -0.39 -1.82 114.58 119.72 3g5a h GLU 278 Ca 0.00 -0.02 0.08 0.00 -1.00 0.00 0.00 59.36 58.42 3g5a h GLU 278 Cb 0.24 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.39 3g5a h GLU 278 CO 0.00 0.27 0.49 -0.91 -1.00 0.00 0.00 179.01 177.86 3g5a h ASN 279 N 0.42 0.00 0.86 1.42 2.35 -1.10 -2.10 115.58 117.43 3g5a h ASN 279 Ca 0.32 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 56.04 3g5a h ASN 279 Cb 0.41 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.77 3g5a h ASN 279 CO -0.32 0.00 -0.18 -0.07 -1.65 0.00 0.00 177.43 175.21 3g5a h LEU 280 N 0.00 0.00 -1.29 1.61 3.38 -1.35 -3.47 115.31 114.19 3g5a h LEU 280 Ca 0.14 0.00 -0.48 0.00 0.09 0.00 0.00 57.88 57.62 3g5a h LEU 280 Cb 1.11 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.81 3g5a h LEU 280 CO -0.00 0.18 -0.80 1.41 0.09 0.00 0.00 178.44 179.31 3g5a n HIS 281 N -3.38 -2.04 -3.71 1.13 8.25 -0.79 -4.98 115.22 109.70 3g5a n HIS 281 Ca -0.00 0.85 -0.14 0.00 -0.26 0.00 0.00 57.72 58.17 3g5a n HIS 281 Cb 0.39 -3.86 -0.09 0.00 1.12 0.00 0.00 29.99 27.55 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 -6.53 0.69 0.14 -0.41 0.41 -1.26 -5.18 118.70 106.55 3g5a s GLU 282 Ca 0.45 0.13 0.06 0.00 -0.41 0.00 0.00 54.97 55.19 3g5a s GLU 282 Cb -0.23 0.32 -0.04 0.00 -1.78 0.00 0.00 34.13 32.39 3g5a s GLU 282 CO 0.85 -0.17 0.05 0.34 -0.49 0.00 0.00 175.26 175.84 3g5a s ASP 283 N -0.83 5.15 0.02 -0.19 2.15 -1.26 -4.97 116.67 116.74 3g5a s ASP 283 Ca -0.09 -0.22 0.04 0.00 0.43 0.00 0.00 52.55 52.71 3g5a s ASP 283 Cb -0.04 -1.24 -0.02 0.00 -0.30 0.00 0.00 42.92 41.32 3g5a s ASP 283 CO 0.04 0.11 -0.12 -0.31 -0.17 0.00 0.00 175.17 174.72 3g5a s TYR 284 N -1.60 1.07 0.50 -5.34 2.02 -1.26 -0.26 117.35 112.48 3g5a s TYR 284 Ca 0.28 -0.31 -0.23 0.00 -0.37 0.00 0.00 57.07 56.44 3g5a s TYR 284 Cb -0.10 -0.65 -0.07 0.00 -0.40 0.00 0.00 41.96 40.74 3g5a s TYR 284 CO 0.20 0.01 1.33 0.66 -1.57 0.00 0.00 175.55 176.18 3g5a n TYR 285 N 2.16 2.26 -0.84 2.71 4.01 -0.46 -4.64 117.16 122.36 3g5a n TYR 285 Ca -0.17 0.45 -0.31 0.00 -0.16 0.00 0.00 57.90 57.71 3g5a n TYR 285 Cb 0.55 -2.37 0.15 0.00 -0.31 0.00 0.00 39.34 37.36 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 -2.63 1.21 0.48 -0.72 0.04 -1.26 -3.73 135.00 128.39 3g5a s PRO 286 Ca 0.67 1.39 0.26 0.00 0.04 0.00 0.00 61.00 63.36 3g5a s PRO 286 Cb -0.44 -1.76 1.32 0.00 0.04 0.00 0.00 34.50 33.65 3g5a s PRO 286 CO 0.53 -2.45 1.85 0.78 0.04 0.00 0.00 177.00 177.76 3g5a h GLY 287 N -1.73 0.44 0.95 0.56 0.00 -0.45 -0.93 103.07 101.91 3g5a h GLY 287 Ca -0.45 -0.09 0.00 0.00 0.00 0.00 0.00 47.33 46.80 3g5a h GLY 287 CO 0.45 -0.02 0.00 -2.67 0.00 0.00 0.00 176.54 174.30 3g5a n TRP 288 N -4.39 0.00 1.52 5.60 2.14 -1.26 -1.56 117.44 119.49 3g5a n TRP 288 Ca 0.20 0.00 0.15 0.00 2.07 0.00 0.00 57.50 59.92 3g5a n TRP 288 Cb 0.90 0.00 0.71 0.00 -0.81 0.00 0.00 31.31 32.11 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 -0.97 0.00 -4.01 -2.67 4.02 -0.35 -4.67 117.16 108.50 3g5a n TYR 289 Ca 0.16 0.00 -0.35 0.00 -0.01 0.00 0.00 57.90 57.69 3g5a n TYR 289 Cb 0.07 -0.17 -0.12 0.00 -0.02 0.00 0.00 39.34 39.10 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 -2.40 3.40 0.00 7.72 2.96 -0.60 -4.91 118.68 124.85 3g5a s LEU 290 Ca 0.33 -0.15 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3g5a s LEU 290 Cb 0.20 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 45.02 3g5a s LEU 290 CO 0.45 0.07 0.43 1.33 -1.32 0.00 0.00 176.35 177.31 3g5a n VAL 291 N 4.23 0.04 -2.88 1.68 0.24 -1.26 -4.79 118.33 115.60 3g5a n VAL 291 Ca -0.17 -0.43 -0.43 0.00 -2.04 0.00 0.00 64.34 61.28 3g5a n VAL 291 Cb 0.52 1.16 -0.04 0.00 -1.47 0.00 0.00 33.84 34.01 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 -0.04 6.21 0.47 -1.34 -1.08 -1.26 -4.27 116.67 115.35 3g5a s ASP 292 Ca 0.00 -0.88 0.26 0.00 -0.52 0.00 0.00 52.55 51.41 3g5a s ASP 292 Cb 0.00 -2.41 1.30 0.00 -1.46 0.00 0.00 42.92 40.35 3g5a s ASP 292 CO 0.00 -1.36 1.82 0.44 0.52 0.00 0.00 175.17 176.60 3g5a h ASP 293 N 9.47 0.23 0.49 -0.34 3.32 -1.99 -0.73 116.42 126.88 3g5a h ASP 293 Ca -0.28 0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.79 3g5a h ASP 293 Cb 1.07 -0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.62 3g5a h ASP 293 CO 1.15 0.06 -0.06 0.11 -1.72 0.00 0.00 179.24 178.78 3g5a h LYS 294 N 0.21 0.00 -0.36 3.56 1.57 -1.93 -2.78 116.57 116.84 3g5a h LYS 294 Ca 0.52 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.30 3g5a h LYS 294 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.98 3g5a h LYS 294 CO -0.14 0.06 0.00 1.28 -0.57 0.00 0.00 179.45 180.08 3g5a n LEU 295 N -3.32 3.16 -0.04 2.94 4.77 -0.28 -4.66 117.00 119.56 3g5a n LEU 295 Ca -0.01 -1.60 0.02 0.00 -0.03 0.00 0.00 56.01 54.39 3g5a n LEU 295 Cb 0.22 -0.23 0.35 0.00 -2.33 0.00 0.00 43.42 41.43 3g5a n LEU 295 CO 0.27 0.71 1.11 -0.08 -1.33 0.00 0.00 177.39 178.07 3g5a h GLU 296 N 3.51 0.63 -0.36 3.23 4.81 -1.53 -2.07 114.58 122.81 3g5a h GLU 296 Ca 0.00 -0.07 0.00 0.00 -0.13 0.00 0.00 59.36 59.16 3g5a h GLU 296 Cb 0.85 -0.13 0.00 0.00 0.63 0.00 0.00 28.75 30.10 3g5a h GLU 296 CO 0.00 0.48 0.00 0.54 -0.73 0.00 0.00 179.01 179.30 3g5a n ARG 297 N -4.40 3.35 0.30 1.92 1.74 -1.26 -3.49 116.66 114.81 3g5a n ARG 297 Ca 0.04 -2.82 0.15 0.00 -0.77 0.00 0.00 57.85 54.45 3g5a n ARG 297 Cb 0.11 -1.86 0.91 0.00 -1.02 0.00 0.00 32.46 30.60 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 2.42 1.51 -1.60 7.54 0.00 -1.68 -3.36 119.26 124.09 3g5a h ALA 298 Ca 0.00 -0.01 -0.72 0.00 0.00 0.00 0.00 54.91 54.18 3g5a h ALA 298 Cb 1.46 -0.00 -0.16 0.00 0.00 0.00 0.00 17.79 19.09 3g5a h ALA 298 CO 0.25 0.01 1.41 0.20 0.00 0.00 0.00 179.25 181.12 3g5a s GLY 299 N -4.11 2.27 -0.08 0.00 0.00 -1.26 -4.68 107.32 99.45 3g5a s GLY 299 Ca -0.05 -3.25 -0.07 0.00 0.00 0.00 0.00 44.72 41.35 3g5a s GLY 299 CO 0.55 2.13 0.22 0.50 0.00 0.00 0.00 173.10 176.50 3g5a s ARG 300 N 2.02 0.24 0.18 2.90 0.52 -1.26 -1.32 118.95 122.23 3g5a s ARG 300 Ca 0.43 0.34 -0.33 0.00 -0.52 0.00 0.00 55.73 55.65 3g5a s ARG 300 Cb -0.02 0.07 -0.14 0.00 0.52 0.00 0.00 34.95 35.38 3g5a s ARG 300 CO 0.00 -0.06 1.51 -0.89 0.02 0.00 0.00 175.30 175.89 3g5a n ILE 301 N 3.21 0.26 -2.25 1.52 2.08 0.47 -4.90 119.36 119.76 3g5a n ILE 301 Ca -0.15 -0.07 -0.42 0.00 0.56 0.00 0.00 62.75 62.67 3g5a n ILE 301 Cb 0.57 -1.47 -0.03 0.00 -0.75 0.00 0.00 39.64 37.96 3g5a n ILE 301 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 3g5a s LYS 302 N 0.51 4.29 0.18 0.38 1.02 -1.26 -5.00 119.74 119.86 3g5a s LYS 302 Ca 0.76 1.93 0.08 0.00 0.02 0.00 0.00 55.97 58.77 3g5a s LYS 302 Cb -0.69 -3.58 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 3g5a s LYS 302 CO 0.42 -0.57 -0.05 0.15 -0.92 0.00 0.00 175.35 174.37 3g5a s LYS 303 N 2.44 2.20 0.00 1.68 -0.14 -1.26 -5.22 119.74 119.44 3g5a s LYS 303 Ca 0.63 -1.22 0.30 0.00 -1.36 0.00 0.00 55.97 54.32 3g5a s LYS 303 Cb -0.30 -2.23 1.54 0.00 -1.68 0.00 0.00 37.83 35.16 3g5a s LYS 303 CO 0.26 0.44 2.02 1.63 -0.76 0.00 0.00 175.35 178.94