#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g5a h ALA -2 N 0.00 0.94 -3.66 4.61 0.00 -1.97 -3.46 119.26 115.72 3g5a h ALA -2 Ca 0.00 0.00 -0.55 0.00 0.00 0.00 0.00 54.91 54.36 3g5a h ALA -2 Cb 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 17.79 17.57 3g5a h ALA -2 CO 0.00 0.00 -0.82 -1.64 0.00 0.00 0.00 179.25 176.79 3g5a s MET -1 N -3.20 1.11 0.44 0.00 1.00 -1.26 -5.13 119.30 112.26 3g5a s MET -1 Ca 0.07 -1.15 -0.24 0.00 0.00 0.00 0.00 55.69 54.36 3g5a s MET -1 Cb 0.07 -1.37 -0.08 0.00 0.00 0.00 0.00 34.83 33.46 3g5a s MET -1 CO 0.67 0.32 1.25 0.54 0.00 0.00 0.00 175.02 177.79 3g5a s VAL 0 N -1.17 2.78 0.29 -6.03 0.11 -1.26 -4.97 120.40 110.15 3g5a s VAL 0 Ca 0.06 0.65 -0.29 0.00 -2.93 0.00 0.00 61.98 59.47 3g5a s VAL 0 Cb -0.10 -3.36 -0.13 0.00 -1.53 0.00 0.00 36.38 31.26 3g5a s VAL 0 CO 0.04 0.05 1.23 0.23 -3.33 0.00 0.00 175.10 173.32 3g5a n MET 1 N -0.20 1.83 -1.65 1.54 0.00 -1.26 -5.02 117.12 112.36 3g5a n MET 1 Ca 0.06 0.64 -0.31 0.00 0.00 0.00 0.00 57.70 58.09 3g5a n MET 1 Cb 0.45 -2.18 0.04 0.00 0.00 0.00 0.00 33.22 31.54 3g5a n MET 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3g5a s ARG 2 N -1.33 2.97 0.26 0.03 0.52 -1.26 -4.74 118.95 115.39 3g5a s ARG 2 Ca 0.61 1.03 -0.01 0.00 -0.52 0.00 0.00 55.73 56.83 3g5a s ARG 2 Cb -0.64 -1.99 0.54 0.00 0.52 0.00 0.00 34.95 33.38 3g5a s ARG 2 CO 0.58 -1.08 1.74 1.25 0.02 0.00 0.00 175.30 177.81 3g5a h LEU 3 N -0.49 0.40 -0.90 2.53 5.85 -1.89 -0.14 115.31 120.66 3g5a h LEU 3 Ca -0.44 0.11 0.04 0.00 0.84 0.00 0.00 57.88 58.43 3g5a h LEU 3 Cb 1.21 0.06 -0.06 0.00 0.37 0.00 0.00 40.66 42.25 3g5a h LEU 3 CO 0.56 0.14 0.58 1.23 -0.34 0.00 0.00 178.44 180.61 3g5a h GLY 4 N 0.52 1.32 0.92 3.75 0.00 -1.92 0.47 103.07 108.14 3g5a h GLY 4 Ca 0.46 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.35 3g5a h GLY 4 CO -0.41 0.36 -0.09 -0.55 0.00 0.00 0.00 176.54 175.85 3g5a h ASP 5 N 1.11 -0.22 -0.30 0.19 3.32 -1.51 -1.26 116.42 117.76 3g5a h ASP 5 Ca 0.37 -0.06 0.06 0.00 0.02 0.00 0.00 57.03 57.42 3g5a h ASP 5 Cb 0.04 0.06 -0.06 0.00 0.22 0.00 0.00 39.33 39.58 3g5a h ASP 5 CO -0.13 -0.08 -0.10 0.00 -1.72 0.00 0.00 179.24 177.20 3g5a h ALA 6 N 0.46 0.16 -0.59 3.45 0.00 -0.75 -0.75 119.26 121.24 3g5a h ALA 6 Ca -0.03 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 3g5a h ALA 6 Cb 0.26 0.28 -0.03 0.00 0.00 0.00 0.00 17.79 18.30 3g5a h ALA 6 CO 0.04 -0.49 0.32 0.00 0.00 0.00 0.00 179.25 179.12 3g5a h ALA 7 N 1.23 0.76 -0.52 0.00 0.00 -0.87 -0.75 119.26 119.12 3g5a h ALA 7 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 3g5a h ALA 7 Cb 0.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.80 3g5a h ALA 7 CO -0.33 0.29 0.26 1.49 0.00 0.00 0.00 179.25 180.95 3g5a h GLU 8 N 0.80 0.75 -0.39 0.00 4.81 -1.09 -0.89 114.58 118.57 3g5a h GLU 8 Ca 0.21 -0.10 0.07 0.00 -0.13 0.00 0.00 59.36 59.41 3g5a h GLU 8 Cb 0.06 -0.14 -0.07 0.00 0.63 0.00 0.00 28.75 29.24 3g5a h GLU 8 CO -0.03 0.61 -0.02 1.25 -0.73 0.00 0.00 179.01 180.08 3g5a h LEU 9 N 0.70 -0.21 -1.06 1.64 5.85 -0.81 -0.30 115.31 121.12 3g5a h LEU 9 Ca 0.18 0.10 -0.05 0.00 0.84 0.00 0.00 57.88 58.95 3g5a h LEU 9 Cb 0.10 0.18 -0.02 0.00 0.37 0.00 0.00 40.66 41.28 3g5a h LEU 9 CO -0.02 -0.06 0.09 0.00 -0.34 0.00 0.00 178.44 178.10 3g5a h TYR 11 N 0.73 0.58 -0.44 0.00 3.20 -0.64 -1.82 116.97 118.58 3g5a h TYR 11 Ca 0.16 -0.08 -0.09 0.00 3.14 0.00 0.00 58.73 61.86 3g5a h TYR 11 Cb 0.32 -0.16 -0.01 0.00 1.54 0.00 0.00 36.73 38.41 3g5a h TYR 11 CO 0.02 0.61 -0.07 -0.91 -1.64 0.00 0.00 178.16 176.17 3g5a h ASN 12 N 0.38 0.83 0.03 -2.11 2.35 -0.70 0.88 115.58 117.23 3g5a h ASN 12 Ca 0.10 -0.34 -0.12 0.00 -0.55 0.00 0.00 56.30 55.38 3g5a h ASN 12 Cb 0.34 -0.22 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3g5a h ASN 12 CO 0.01 0.98 -0.40 0.17 -1.65 0.00 0.00 177.43 176.53 3g5a h LEU 13 N 0.66 0.51 -0.17 1.61 8.10 -0.98 -0.69 115.31 124.35 3g5a h LEU 13 Ca 0.12 -0.22 -0.07 0.00 0.11 0.00 0.00 57.88 57.82 3g5a h LEU 13 Cb 0.59 -0.14 -0.00 0.00 -0.44 0.00 0.00 40.66 40.67 3g5a h LEU 13 CO 0.04 0.85 -0.15 0.74 -4.11 0.00 0.00 178.44 175.81 3g5a h THR 14 N 0.40 1.34 -0.61 0.15 2.02 -1.17 0.20 112.91 115.23 3g5a h THR 14 Ca 0.04 -1.30 0.07 0.00 0.77 0.00 0.00 66.41 65.98 3g5a h THR 14 Cb 0.87 1.81 -0.06 0.00 -1.74 0.00 0.00 68.15 69.03 3g5a h THR 14 CO 0.07 0.39 0.30 0.28 0.37 0.00 0.00 175.52 176.93 3g5a h SER 15 N 0.06 0.40 0.10 4.18 0.02 -0.77 -0.46 113.55 117.09 3g5a h SER 15 Ca 0.03 0.04 0.01 0.00 -0.84 0.00 0.00 61.79 61.04 3g5a h SER 15 Cb 0.68 -0.03 -0.03 0.00 0.14 0.00 0.00 62.40 63.17 3g5a h SER 15 CO 0.04 0.26 -0.20 -1.28 -1.14 0.00 0.00 176.83 174.51 3g5a h SER 16 N 0.55 -0.55 -0.42 3.07 0.87 -1.00 -1.38 113.55 114.70 3g5a h SER 16 Ca 0.28 0.06 0.09 0.00 -1.23 0.00 0.00 61.79 60.99 3g5a h SER 16 Cb 0.24 0.21 -0.08 0.00 -0.44 0.00 0.00 62.40 62.32 3g5a h SER 16 CO -0.21 -0.28 -0.13 0.22 -0.53 0.00 0.00 176.83 175.90 3g5a h TYR 17 N -0.37 -0.29 -0.02 2.24 3.20 -0.70 -1.10 116.97 119.92 3g5a h TYR 17 Ca 0.03 0.04 0.01 0.00 3.14 0.00 0.00 58.73 61.94 3g5a h TYR 17 Cb 0.39 0.19 -0.00 0.00 1.54 0.00 0.00 36.73 38.86 3g5a h TYR 17 CO -0.19 -0.21 0.03 -0.07 -1.64 0.00 0.00 178.16 176.08 3g5a h LEU 18 N -0.03 0.00 0.00 2.82 3.38 -0.71 -1.99 115.31 118.78 3g5a h LEU 18 Ca 0.20 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.17 3g5a h LEU 18 Cb 0.34 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.09 3g5a h LEU 18 CO -0.45 0.00 -0.16 0.00 0.09 0.00 0.00 178.44 177.93 3g5a n GLN 19 N -3.86 0.10 -1.68 1.13 6.02 -0.44 -4.88 117.38 113.77 3g5a n GLN 19 Ca -0.02 0.07 -0.45 0.00 -0.01 0.00 0.00 57.00 56.58 3g5a n GLN 19 Cb 0.11 -1.60 -0.04 0.00 1.02 0.00 0.00 30.24 29.74 3g5a n GLN 19 CO 0.00 0.00 0.00 -0.89 -1.01 0.00 0.00 177.06 175.16 3g5a n ILE 20 N -1.77 0.09 -2.51 5.09 5.41 -0.75 -4.92 119.36 120.01 3g5a n ILE 20 Ca 0.06 -0.02 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 3g5a n ILE 20 Cb 0.37 -1.73 -0.02 0.00 -0.71 0.00 0.00 39.64 37.55 3g5a n ILE 20 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3g5a s ALA 21 N 1.43 3.10 0.03 -1.39 0.00 -1.26 -5.00 121.76 118.67 3g5a s ALA 21 Ca 0.79 -0.38 0.06 0.00 0.00 0.00 0.00 51.96 52.43 3g5a s ALA 21 Cb -0.62 -3.92 -0.02 0.00 0.00 0.00 0.00 23.12 18.56 3g5a s ALA 21 CO 0.38 -2.34 -0.16 0.00 0.00 0.00 0.00 175.76 173.63 3g5a s ALA 22 N 4.85 1.38 0.59 0.00 0.00 -1.26 -5.09 121.76 122.23 3g5a s ALA 22 Ca 0.53 -0.88 -0.19 0.00 0.00 0.00 0.00 51.96 51.42 3g5a s ALA 22 Cb -0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.74 3g5a s ALA 22 CO 0.32 0.29 1.21 -1.21 0.00 0.00 0.00 175.76 176.37 3g5a s GLU 23 N -1.04 2.98 0.30 0.00 0.41 -1.26 -4.84 118.70 115.25 3g5a s GLU 23 Ca 0.04 1.84 0.23 0.00 -0.41 0.00 0.00 54.97 56.67 3g5a s GLU 23 Cb -0.08 -1.94 1.11 0.00 -1.78 0.00 0.00 34.13 31.44 3g5a s GLU 23 CO 0.01 -1.20 1.70 -1.13 -0.49 0.00 0.00 175.26 174.15 3g5a n SER 24 N -1.56 0.63 -1.40 -0.19 3.41 -1.26 -1.84 113.62 111.41 3g5a n SER 24 Ca 0.14 0.73 0.08 0.00 -0.26 0.00 0.00 58.87 59.55 3g5a n SER 24 Cb 0.49 -0.83 0.33 0.00 -0.26 0.00 0.00 64.21 63.94 3g5a n SER 24 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 3g5a n ASP 25 N -2.28 4.67 -4.95 4.04 5.75 -1.26 -4.84 116.55 117.69 3g5a n ASP 25 Ca 0.00 -2.73 -0.23 0.00 -0.01 0.00 0.00 54.79 51.83 3g5a n ASP 25 Cb 0.12 -0.57 -0.02 0.00 -1.03 0.00 0.00 41.12 39.62 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 -1.17 6.32 0.20 -1.12 1.04 -0.77 -5.01 113.70 113.19 3g5a s SER 26 Ca 0.47 0.24 -0.11 0.00 0.48 0.00 0.00 55.95 57.04 3g5a s SER 26 Cb 0.34 -1.94 0.16 0.00 0.10 0.00 0.00 66.02 64.69 3g5a s SER 26 CO 0.17 -0.14 1.84 0.40 0.98 0.00 0.00 173.24 176.49 3g5a h ILE 27 N 1.10 1.09 -0.56 -1.02 2.04 -1.95 -2.72 117.51 115.50 3g5a h ILE 27 Ca -0.51 -0.28 0.00 0.00 1.00 0.00 0.00 64.86 65.08 3g5a h ILE 27 Cb 1.22 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 37.49 3g5a h ILE 27 CO 0.62 0.15 0.36 0.40 0.00 0.00 0.00 178.15 179.68 3g5a h ILE 28 N 0.80 1.15 -0.72 -0.67 2.04 -1.95 0.45 117.51 118.61 3g5a h ILE 28 Ca 0.26 -0.27 -0.00 0.00 1.00 0.00 0.00 64.86 65.85 3g5a h ILE 28 Cb 0.01 0.33 -0.03 0.00 -0.74 0.00 0.00 36.82 36.39 3g5a h ILE 28 CO -0.10 0.14 0.44 0.00 0.00 0.00 0.00 178.15 178.63 3g5a h ALA 29 N 1.20 0.91 -0.77 1.87 0.00 -1.75 0.49 119.26 121.21 3g5a h ALA 29 Ca 0.20 -0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.01 3g5a h ALA 29 Cb -0.08 -0.29 -0.04 0.00 0.00 0.00 0.00 17.79 17.38 3g5a h ALA 29 CO -0.04 0.38 0.39 0.37 0.00 0.00 0.00 179.25 180.34 3g5a h GLN 30 N 0.98 1.10 -0.67 0.00 4.15 -1.13 -1.99 115.11 117.54 3g5a h GLN 30 Ca 0.26 -0.15 -0.07 0.00 0.77 0.00 0.00 58.65 59.45 3g5a h GLN 30 Cb -0.04 -0.20 -0.03 0.00 0.21 0.00 0.00 27.48 27.42 3g5a h GLN 30 CO -0.05 0.84 0.14 1.15 -1.93 0.00 0.00 178.83 178.98 3g5a h THR 31 N 1.08 1.26 -0.53 2.39 2.02 -0.25 -0.87 112.91 118.01 3g5a h THR 31 Ca 0.27 -0.99 0.01 0.00 0.77 0.00 0.00 66.41 66.46 3g5a h THR 31 Cb 0.09 0.60 -0.03 0.00 -1.74 0.00 0.00 68.15 67.07 3g5a h THR 31 CO -0.04 0.38 0.34 1.56 0.37 0.00 0.00 175.52 178.13 3g5a h GLN 32 N 1.03 0.67 -1.00 6.66 4.20 -0.63 0.11 115.11 126.13 3g5a h GLN 32 Ca 0.21 -0.04 0.01 0.00 0.06 0.00 0.00 58.65 58.89 3g5a h GLN 32 Cb 0.40 -0.15 -0.05 0.00 0.30 0.00 0.00 27.48 27.98 3g5a h GLN 32 CO 0.01 0.44 0.66 0.00 -0.67 0.00 0.00 178.83 179.27 3g5a h ARG 33 N 0.69 1.33 -0.39 1.46 3.08 -1.13 -1.94 114.38 117.47 3g5a h ARG 33 Ca 0.20 -0.08 -0.09 0.00 0.07 0.00 0.00 59.98 60.08 3g5a h ARG 33 Cb -0.05 -0.30 -0.01 0.00 0.08 0.00 0.00 29.97 29.69 3g5a h ARG 33 CO -0.06 0.88 -0.10 0.00 -1.07 0.00 0.00 179.97 179.62 3g5a h ALA 34 N 1.37 0.53 -0.13 0.04 0.00 -0.34 -2.05 119.26 118.68 3g5a h ALA 34 Ca 0.37 -0.32 0.04 0.00 0.00 0.00 0.00 54.91 54.99 3g5a h ALA 34 Cb -0.15 -0.14 -0.04 0.00 0.00 0.00 0.00 17.79 17.46 3g5a h ALA 34 CO -0.08 0.41 -0.10 0.82 0.00 0.00 0.00 179.25 180.30 3g5a h ILE 35 N 0.56 0.72 -0.85 0.00 2.04 -0.63 -1.14 117.51 118.21 3g5a h ILE 35 Ca 0.10 0.00 0.00 0.00 1.00 0.00 0.00 64.86 65.96 3g5a h ILE 35 Cb 0.63 0.72 -0.04 0.00 -0.74 0.00 0.00 36.82 37.38 3g5a h ILE 35 CO 0.04 0.00 0.54 0.78 0.00 0.00 0.00 178.15 179.51 3g5a h ASN 36 N -0.11 0.99 -0.34 1.72 2.35 -1.19 0.13 115.58 119.14 3g5a h ASN 36 Ca 0.08 -0.04 -0.03 0.00 -0.55 0.00 0.00 56.30 55.76 3g5a h ASN 36 Cb 0.23 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3g5a h ASN 36 CO -0.19 0.74 0.10 0.74 -1.65 0.00 0.00 177.43 177.17 3g5a h THR 37 N 1.16 1.21 -0.35 2.81 2.02 -1.16 -1.79 112.91 116.81 3g5a h THR 37 Ca 0.31 -0.70 0.04 0.00 0.77 0.00 0.00 66.41 66.83 3g5a h THR 37 Cb -0.10 1.02 -0.04 0.00 -1.74 0.00 0.00 68.15 67.30 3g5a h THR 37 CO -0.06 0.24 0.13 0.74 0.37 0.00 0.00 175.52 176.94 3g5a h THR 38 N 0.40 0.91 -0.26 3.16 2.02 -0.36 -2.02 112.91 116.76 3g5a h THR 38 Ca 0.11 -0.10 0.05 0.00 0.77 0.00 0.00 66.41 67.24 3g5a h THR 38 Cb 0.27 0.60 -0.04 0.00 -1.74 0.00 0.00 68.15 67.24 3g5a h THR 38 CO -0.00 0.05 -0.02 0.11 0.37 0.00 0.00 175.52 176.03 3g5a h LYS 39 N 0.28 0.06 -0.69 6.66 1.57 -0.66 -1.47 116.57 122.32 3g5a h LYS 39 Ca 0.16 -0.00 0.04 0.00 -1.87 0.00 0.00 60.65 58.98 3g5a h LYS 39 Cb 0.12 -0.01 -0.05 0.00 0.08 0.00 0.00 32.23 32.37 3g5a h LYS 39 CO -0.15 0.04 0.42 1.03 -0.57 0.00 0.00 179.45 180.21 3g5a h SER 40 N 0.06 0.65 -0.50 0.86 0.87 -1.11 0.28 113.55 114.66 3g5a h SER 40 Ca 0.13 0.01 -0.00 0.00 -1.23 0.00 0.00 61.79 60.70 3g5a h SER 40 Cb 0.17 -0.12 -0.02 0.00 -0.44 0.00 0.00 62.40 61.99 3g5a h SER 40 CO -0.23 0.44 0.31 0.40 -0.53 0.00 0.00 176.83 177.22 3g5a h ILE 41 N 0.79 1.15 0.20 2.23 2.04 -0.90 0.90 117.51 123.92 3g5a h ILE 41 Ca 0.29 -0.32 -0.01 0.00 1.00 0.00 0.00 64.86 65.82 3g5a h ILE 41 Cb 0.10 0.46 0.00 0.00 -0.74 0.00 0.00 36.82 36.65 3g5a h ILE 41 CO -0.14 0.15 -0.10 -0.07 0.00 0.00 0.00 178.15 177.99 3g5a h LEU 42 N 0.67 -0.23 -0.23 1.44 3.38 -0.60 -1.29 115.31 118.46 3g5a h LEU 42 Ca 0.18 -0.29 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3g5a h LEU 42 Cb -0.02 0.06 -0.00 0.00 0.09 0.00 0.00 40.66 40.78 3g5a h LEU 42 CO -0.03 0.30 -0.37 0.40 0.09 0.00 0.00 178.44 178.82 3g5a h ILE 43 N -0.89 1.32 0.04 1.22 2.04 -0.53 -0.58 117.51 120.13 3g5a h ILE 43 Ca -0.03 -1.58 -0.31 0.00 1.00 0.00 0.00 64.86 63.94 3g5a h ILE 43 Cb 0.50 1.78 -0.04 0.00 -0.74 0.00 0.00 36.82 38.32 3g5a h ILE 43 CO 0.04 0.50 -1.73 0.78 0.00 0.00 0.00 178.15 177.74 3g5a h ASN 44 N 0.35 0.14 0.00 1.72 2.35 -0.97 -3.40 115.58 115.77 3g5a h ASN 44 Ca 0.02 -0.28 -0.01 0.00 -0.55 0.00 0.00 56.30 55.47 3g5a h ASN 44 Cb 0.96 -0.04 -0.00 0.00 0.05 0.00 0.00 38.32 39.29 3g5a h ASN 44 CO 0.08 1.25 -1.40 -0.62 -1.65 0.00 0.00 177.43 175.10 3g5a n GLU 45 N -3.20 0.51 -0.07 0.81 1.02 -0.98 -4.74 120.64 113.99 3g5a n GLU 45 Ca -0.20 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.80 3g5a n GLU 45 Cb 1.05 -1.20 -0.02 0.00 -0.02 0.00 0.00 31.44 31.24 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 -1.84 1.22 -0.09 2.62 -1.04 -0.52 -4.55 114.28 110.08 3g5a n THR 46 Ca -0.03 0.21 -0.01 0.00 -2.04 0.00 0.00 64.05 62.19 3g5a n THR 46 Cb 0.28 -2.16 0.26 0.00 -1.82 0.00 0.00 70.33 66.89 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 -0.77 0.73 0.00 -1.42 0.04 -1.30 -0.40 116.94 113.82 3g5a h PHE 47 Ca 0.00 -0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.72 3g5a h PHE 47 Cb 0.77 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 38.70 3g5a h PHE 47 CO -0.33 0.59 -0.01 -1.35 -0.60 0.00 0.00 178.31 176.61 3g5a h PRO 48 N 0.71 0.00 0.01 1.51 0.11 -1.82 -3.30 132.00 129.23 3g5a h PRO 48 Ca 0.17 0.00 -0.41 0.00 0.11 0.00 0.00 66.00 65.86 3g5a h PRO 48 Cb 0.19 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.24 3g5a h PRO 48 CO -0.01 0.01 -2.38 1.63 -0.21 0.00 0.00 178.00 177.04 3g5a n LYS 49 N -3.27 0.62 -5.05 1.05 5.02 -0.31 -4.96 118.16 111.26 3g5a n LYS 49 Ca -0.03 0.25 -0.29 0.00 -2.02 0.00 0.00 58.31 56.23 3g5a n LYS 49 Cb 0.11 -1.54 -0.16 0.00 -0.02 0.00 0.00 35.03 33.42 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 -2.50 2.07 -0.06 2.13 0.51 -0.35 -5.11 118.94 115.62 3g5a s TRP 50 Ca -0.36 -0.60 -0.30 0.00 -2.12 0.00 0.00 56.10 52.73 3g5a s TRP 50 Cb 0.12 -1.37 -0.04 0.00 -0.81 0.00 0.00 33.47 31.37 3g5a s TRP 50 CO 0.56 -0.19 1.31 0.45 -0.51 0.00 0.00 176.95 178.57 3g5a s SER 51 N -0.08 6.94 0.00 2.95 0.15 -1.26 -4.27 113.70 118.13 3g5a s SER 51 Ca -0.03 1.92 0.22 0.00 0.70 0.00 0.00 55.95 58.76 3g5a s SER 51 Cb -0.12 -2.55 1.15 0.00 -1.71 0.00 0.00 66.02 62.78 3g5a s SER 51 CO 0.03 -0.69 1.76 -0.81 1.20 0.00 0.00 173.24 174.73 3g5a n PRO 52 N 5.64 1.19 -0.06 5.44 -0.04 -1.26 -2.77 135.00 143.14 3g5a n PRO 52 Ca 0.13 -0.29 -0.02 0.00 -0.04 0.00 0.00 63.50 63.28 3g5a n PRO 52 Cb 0.45 -1.36 -0.14 0.00 -0.04 0.00 0.00 33.50 32.41 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 -0.53 0.00 -0.27 1.53 4.77 -1.26 -4.66 117.00 116.57 3g5a n LEU 53 Ca 0.16 0.00 0.10 0.00 -0.03 0.00 0.00 56.01 56.24 3g5a n LEU 53 Cb 0.14 0.28 0.17 0.00 -2.33 0.00 0.00 43.42 41.68 3g5a n LEU 53 CO 0.12 0.28 0.60 -0.46 -1.33 0.00 0.00 177.39 176.61 3g5a n ASN 54 N -2.47 2.69 0.00 -1.43 0.23 -1.26 -4.93 115.26 108.09 3g5a n ASN 54 Ca -0.20 -3.09 0.00 0.00 -0.53 0.00 0.00 54.58 50.76 3g5a n ASN 54 Cb 0.87 -0.46 0.00 0.00 -2.08 0.00 0.00 39.78 38.11 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 -1.22 1.61 0.27 4.83 0.00 -1.26 -4.91 105.19 104.50 3g5a n GLY 55 Ca 0.17 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 2.92 0.16 -5.25 1.61 5.08 -1.73 -3.33 114.58 114.05 3g5a h GLU 56 Ca 0.00 -0.01 -0.64 0.00 -1.00 0.00 0.00 59.36 57.70 3g5a h GLU 56 Cb 0.00 -0.04 -0.23 0.00 0.50 0.00 0.00 28.75 28.98 3g5a h GLU 56 CO 0.00 0.14 -0.69 0.42 -1.00 0.00 0.00 179.01 177.88 3g5a s ILE 57 N -5.14 3.72 0.12 3.13 1.01 -1.11 -0.46 121.20 122.47 3g5a s ILE 57 Ca -0.06 -0.41 0.07 0.00 0.00 0.00 0.00 60.65 60.24 3g5a s ILE 57 Cb 0.17 -2.63 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 3g5a s ILE 57 CO 0.69 0.48 -0.05 -0.44 0.00 0.00 0.00 174.94 175.62 3g5a s SER 58 N 0.57 4.65 -0.32 3.58 0.01 -0.58 -4.77 113.70 116.84 3g5a s SER 58 Ca -0.03 -0.34 -0.10 0.00 1.31 0.00 0.00 55.95 56.78 3g5a s SER 58 Cb -0.15 -0.97 -0.00 0.00 0.21 0.00 0.00 66.02 65.11 3g5a s SER 58 CO 0.03 0.15 0.17 0.12 0.41 0.00 0.00 173.24 174.11 3g5a s PHE 59 N -1.39 3.19 -0.21 2.43 5.36 -0.42 -0.80 117.98 126.14 3g5a s PHE 59 Ca 0.24 -0.59 -0.29 0.00 -0.96 0.00 0.00 56.93 55.33 3g5a s PHE 59 Cb -0.11 -2.37 0.00 0.00 -0.34 0.00 0.00 43.02 40.20 3g5a s PHE 59 CO 0.16 -0.47 1.14 0.45 -1.46 0.00 0.00 175.22 175.04 3g5a s SER 60 N 1.61 7.03 -0.04 6.13 0.15 0.04 -0.72 113.70 127.90 3g5a s SER 60 Ca 0.04 1.50 -0.00 0.00 0.70 0.00 0.00 55.95 58.19 3g5a s SER 60 Cb -0.17 -2.54 0.03 0.00 -1.71 0.00 0.00 66.02 61.62 3g5a s SER 60 CO 0.07 -0.72 0.00 -0.47 1.20 0.00 0.00 173.24 173.32 3g5a s TYR 61 N 3.35 0.41 -0.09 3.44 5.04 -0.38 -4.65 117.35 124.47 3g5a s TYR 61 Ca 0.49 -0.03 0.17 0.00 -2.44 0.00 0.00 57.07 55.26 3g5a s TYR 61 Cb -0.18 -0.54 0.36 0.00 0.35 0.00 0.00 41.96 41.95 3g5a s TYR 61 CO 0.10 -0.19 1.16 0.27 -1.34 0.00 0.00 175.55 175.55 3g5a n ASN 62 N 4.51 1.27 0.00 4.32 6.94 -1.26 -4.18 115.26 126.87 3g5a n ASN 62 Ca -0.19 -2.80 0.00 0.00 -0.02 0.00 0.00 54.58 51.58 3g5a n ASN 62 Cb 0.50 -0.38 0.00 0.00 -2.36 0.00 0.00 39.78 37.54 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 -0.35 1.60 3.76 4.83 0.00 -1.26 -4.93 105.19 108.84 3g5a n GLY 63 Ca 0.11 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 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 1.77 0.32 -0.02 0.00 -1.26 -4.55 107.32 101.58 3g5a s GLY 64 Ca 0.00 0.35 0.04 0.00 0.00 0.00 0.00 44.72 45.11 3g5a s GLY 64 CO 0.00 0.71 1.89 0.07 0.00 0.00 0.00 173.10 175.77 3g5a h LYS 65 N -1.00 0.85 -0.03 2.90 2.10 -1.97 -0.66 116.57 118.77 3g5a h LYS 65 Ca -0.44 -0.05 -0.06 0.00 -2.00 0.00 0.00 60.65 58.10 3g5a h LYS 65 Cb 1.24 -0.19 0.00 0.00 -0.90 0.00 0.00 32.23 32.38 3g5a h LYS 65 CO 0.51 0.57 -0.23 -0.44 -2.00 0.00 0.00 179.45 177.86 3g5a h ASP 66 N 0.88 0.24 0.05 7.07 3.32 -1.92 0.63 116.42 126.69 3g5a h ASP 66 Ca 0.41 -0.70 -0.06 0.00 0.02 0.00 0.00 57.03 56.70 3g5a h ASP 66 Cb 0.41 -0.07 -0.01 0.00 0.22 0.00 0.00 39.33 39.88 3g5a h ASP 66 CO -0.18 0.91 -0.18 0.00 -1.72 0.00 0.00 179.24 178.07 3g5a h GLN 68 N 0.24 -0.10 -0.70 0.00 4.15 -0.93 0.21 115.11 117.98 3g5a h GLN 68 Ca 0.04 0.01 0.09 0.00 0.77 0.00 0.00 58.65 59.56 3g5a h GLN 68 Cb 0.46 0.02 -0.07 0.00 0.21 0.00 0.00 27.48 28.11 3g5a h GLN 68 CO 0.03 0.12 0.35 0.28 -1.93 0.00 0.00 178.83 177.68 3g5a h VAL 69 N -0.31 0.87 -0.76 2.39 2.07 -0.81 -2.10 116.25 117.60 3g5a h VAL 69 Ca -0.01 -0.21 -0.04 0.00 0.82 0.00 0.00 66.70 67.27 3g5a h VAL 69 Cb 0.27 0.21 -0.03 0.00 -1.52 0.00 0.00 31.29 30.21 3g5a h VAL 69 CO 0.02 0.11 0.34 0.25 0.02 0.00 0.00 177.57 178.31 3g5a h LEU 70 N 0.61 1.02 -0.25 2.57 5.85 -0.88 -1.65 115.31 122.58 3g5a h LEU 70 Ca 0.34 -0.15 0.03 0.00 0.84 0.00 0.00 57.88 58.94 3g5a h LEU 70 Cb 0.33 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3g5a h LEU 70 CO -0.25 0.89 0.06 0.25 -0.34 0.00 0.00 178.44 179.05 3g5a h LEU 71 N 1.09 0.03 -0.41 2.25 5.85 -0.16 0.30 115.31 124.26 3g5a h LEU 71 Ca 0.26 0.04 0.03 0.00 0.84 0.00 0.00 57.88 59.04 3g5a h LEU 71 Cb 0.16 0.04 -0.03 0.00 0.37 0.00 0.00 40.66 41.20 3g5a h LEU 71 CO -0.03 0.05 0.21 -0.07 -0.34 0.00 0.00 178.44 178.26 3g5a h LEU 72 N 0.16 0.31 -0.88 2.25 3.38 -1.21 0.13 115.31 119.44 3g5a h LEU 72 Ca 0.11 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 58.05 3g5a h LEU 72 Cb 0.10 -0.04 -0.03 0.00 0.09 0.00 0.00 40.66 40.78 3g5a h LEU 72 CO -0.14 0.23 0.27 -0.07 0.09 0.00 0.00 178.44 178.81 3g5a h LEU 73 N 0.42 1.00 -0.13 1.67 3.38 -0.98 -0.68 115.31 119.99 3g5a h LEU 73 Ca 0.17 -0.16 -0.02 0.00 0.09 0.00 0.00 57.88 57.96 3g5a h LEU 73 Cb 0.07 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 40.55 3g5a h LEU 73 CO -0.11 0.91 -0.00 0.22 0.09 0.00 0.00 178.44 179.54 3g5a h TYR 74 N 1.06 0.26 -0.42 1.13 3.20 0.29 -0.32 116.97 122.17 3g5a h TYR 74 Ca 0.24 -0.05 0.04 0.00 3.14 0.00 0.00 58.73 62.10 3g5a h TYR 74 Cb 0.23 -0.07 -0.04 0.00 1.54 0.00 0.00 36.73 38.40 3g5a h TYR 74 CO 0.02 0.48 0.19 -0.07 -1.64 0.00 0.00 178.16 177.13 3g5a h LEU 75 N -0.03 0.25 -0.56 2.82 3.38 -0.72 -0.45 115.31 120.00 3g5a h LEU 75 Ca 0.04 0.03 0.10 0.00 0.09 0.00 0.00 57.88 58.14 3g5a h LEU 75 Cb 0.38 -0.01 -0.08 0.00 0.09 0.00 0.00 40.66 41.04 3g5a h LEU 75 CO 0.01 0.18 0.13 -1.28 0.09 0.00 0.00 178.44 177.57 3g5a h SER 76 N 0.38 0.04 0.61 -0.43 0.87 -0.90 -2.63 113.55 111.49 3g5a h SER 76 Ca 0.19 0.10 -0.10 0.00 -1.23 0.00 0.00 61.79 60.75 3g5a h SER 76 Cb 0.13 0.13 -0.01 0.00 -0.44 0.00 0.00 62.40 62.20 3g5a h SER 76 CO -0.16 0.04 -0.47 0.00 -0.53 0.00 0.00 176.83 175.71 3g5a h LEU 78 N 0.00 0.15 0.01 0.00 3.38 -0.76 0.42 115.31 118.51 3g5a h LEU 78 Ca -0.00 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.79 3g5a h LEU 78 Cb 0.91 -0.04 0.00 0.00 0.09 0.00 0.00 40.66 41.62 3g5a h LEU 78 CO 0.06 0.28 -0.00 -0.25 0.09 0.00 0.00 178.44 178.61 3g5a h TRP 79 N 0.01 -0.01 -0.32 1.13 2.91 -1.40 -2.20 115.95 116.07 3g5a h TRP 79 Ca 0.03 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.10 3g5a h TRP 79 Cb 0.18 0.00 -0.04 0.00 -0.51 0.00 0.00 29.16 28.79 3g5a h TRP 79 CO -0.01 0.04 0.06 1.49 -1.03 0.00 0.00 178.44 178.99 3g5a h GLU 80 N -0.06 0.17 -0.56 2.65 4.81 -1.23 0.31 114.58 120.68 3g5a h GLU 80 Ca -0.00 -0.01 -0.04 0.00 -0.13 0.00 0.00 59.36 59.18 3g5a h GLU 80 Cb 0.06 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.37 3g5a h GLU 80 CO 0.00 0.11 0.18 -0.92 -0.73 0.00 0.00 179.01 177.66 3g5a h TYR 81 N 0.18 0.89 0.01 0.92 3.20 -0.82 0.14 116.97 121.48 3g5a h TYR 81 Ca 0.15 -0.09 -0.38 0.00 3.14 0.00 0.00 58.73 61.56 3g5a h TYR 81 Cb 0.17 -0.26 -0.07 0.00 1.54 0.00 0.00 36.73 38.11 3g5a h TYR 81 CO -0.18 0.75 -2.38 0.66 -1.64 0.00 0.00 178.16 175.37 3g5a n TYR 82 N -4.45 0.13 -0.11 -3.82 4.01 -0.83 -1.35 117.16 110.73 3g5a n TYR 82 Ca 0.03 0.03 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 3g5a n TYR 82 Cb 0.20 -1.02 -0.11 0.00 -0.31 0.00 0.00 39.34 38.10 3g5a n TYR 82 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3g5a n ILE 83 N -3.08 1.53 0.03 -0.72 2.08 0.10 -3.53 119.36 115.78 3g5a n ILE 83 Ca -0.39 -0.10 -0.19 0.00 0.56 0.00 0.00 62.75 62.63 3g5a n ILE 83 Cb 1.06 -2.02 -0.14 0.00 -0.75 0.00 0.00 39.64 37.79 3g5a n ILE 83 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3g5a h VAL 84 N -1.00 1.51 0.00 1.39 2.07 -1.22 -3.32 116.25 115.68 3g5a h VAL 84 Ca -0.42 -2.41 0.00 0.00 0.82 0.00 0.00 66.70 64.69 3g5a h VAL 84 Cb 1.35 3.07 0.00 0.00 -1.52 0.00 0.00 31.29 34.19 3g5a h VAL 84 CO -0.25 0.68 -0.57 0.29 0.02 0.00 0.00 177.57 177.74 3g5a n LYS 85 N -4.18 0.06 -3.94 1.57 5.02 0.46 -4.98 118.16 112.16 3g5a n LYS 85 Ca -0.13 0.01 -0.30 0.00 -2.02 0.00 0.00 58.31 55.88 3g5a n LYS 85 Cb 0.76 -1.53 0.02 0.00 -0.02 0.00 0.00 35.03 34.25 3g5a n LYS 85 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g5a n LEU 86 N -1.62 -2.46 0.07 -0.35 4.32 -1.22 -4.97 117.00 110.77 3g5a n LEU 86 Ca 0.05 -0.84 -0.12 0.00 -0.02 0.00 0.00 56.01 55.08 3g5a n LEU 86 Cb 0.36 -2.47 -0.08 0.00 -1.62 0.00 0.00 43.42 39.60 3g5a n LEU 86 CO 0.36 0.43 0.51 0.28 -1.22 0.00 0.00 177.39 177.75 3g5a h SER 87 N -1.95 -0.20 0.00 -1.43 0.02 -1.39 -3.49 113.55 105.11 3g5a h SER 87 Ca -0.59 -0.32 0.00 0.00 -0.84 0.00 0.00 61.79 60.04 3g5a h SER 87 Cb 1.38 0.05 0.00 0.00 0.14 0.00 0.00 62.40 63.97 3g5a h SER 87 CO 0.67 0.27 0.00 -0.11 -1.14 0.00 0.00 176.83 176.52 3g5a n LEU 100 N -4.98 0.00 -0.04 5.07 7.94 -1.26 -4.82 117.00 118.91 3g5a n LEU 100 Ca -0.09 0.00 0.02 0.00 -1.11 0.00 0.00 56.01 54.84 3g5a n LEU 100 Cb 0.26 0.00 -0.13 0.00 0.53 0.00 0.00 43.42 44.08 3g5a n LEU 100 CO 0.29 0.00 -0.83 0.35 -1.11 0.00 0.00 177.39 176.10 3g5a n THR 101 N 0.00 0.43 -4.03 1.96 -2.24 -1.26 -4.79 114.28 104.35 3g5a n THR 101 Ca 0.00 -0.50 -0.08 0.00 -2.27 0.00 0.00 64.05 61.20 3g5a n THR 101 Cb 0.00 -0.16 -0.10 0.00 -2.10 0.00 0.00 70.33 67.96 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 -2.87 0.46 -0.33 -0.78 -0.14 -1.26 -4.34 119.74 110.49 3g5a s LYS 102 Ca -0.07 -0.89 -0.18 0.00 -1.36 0.00 0.00 55.97 53.47 3g5a s LYS 102 Cb 0.08 0.16 -0.01 0.00 -1.68 0.00 0.00 37.83 36.39 3g5a s LYS 102 CO 0.69 -0.08 0.49 -1.17 -0.76 0.00 0.00 175.35 174.51 3g5a s LEU 103 N -2.16 4.27 0.04 3.17 2.96 0.25 -4.77 118.68 122.44 3g5a s LEU 103 Ca -0.05 0.09 -0.32 0.00 -0.22 0.00 0.00 54.13 53.63 3g5a s LEU 103 Cb -0.01 -2.57 -0.10 0.00 0.50 0.00 0.00 46.19 44.00 3g5a s LEU 103 CO -0.05 -0.41 1.89 -2.65 -1.32 0.00 0.00 176.35 173.81 3g5a n PRO 104 N 5.65 2.65 -3.94 0.98 -0.02 -1.26 0.22 135.00 139.27 3g5a n PRO 104 Ca -0.05 0.97 -0.10 0.00 -2.02 0.00 0.00 63.50 62.30 3g5a n PRO 104 Cb 0.49 -2.87 -0.12 0.00 -0.02 0.00 0.00 33.50 30.98 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 3.62 0.08 -0.04 3.45 2.01 -0.76 -1.30 115.64 122.70 3g5a s THR 105 Ca 0.87 -0.67 0.02 0.00 0.31 0.00 0.00 61.69 62.22 3g5a s THR 105 Cb -0.52 -0.22 0.01 0.00 0.01 0.00 0.00 72.50 71.79 3g5a s THR 105 CO 0.42 -0.37 -0.08 0.54 -0.69 0.00 0.00 174.62 174.45 3g5a s VAL 106 N -1.09 0.74 -0.10 3.82 0.11 0.10 -1.56 120.40 122.43 3g5a s VAL 106 Ca -0.12 -0.27 0.00 0.00 -2.93 0.00 0.00 61.98 58.66 3g5a s VAL 106 Cb -0.07 -0.71 0.02 0.00 -1.53 0.00 0.00 36.38 34.09 3g5a s VAL 106 CO -0.01 0.26 -0.08 0.12 -3.33 0.00 0.00 175.10 172.06 3g5a s PHE 107 N 0.65 1.45 -0.55 1.54 5.36 -0.05 -1.25 117.98 125.14 3g5a s PHE 107 Ca -0.10 -0.69 -0.21 0.00 -0.96 0.00 0.00 56.93 54.97 3g5a s PHE 107 Cb -0.13 -1.19 0.06 0.00 -0.34 0.00 0.00 43.02 41.42 3g5a s PHE 107 CO 0.01 -0.47 0.75 0.42 -1.46 0.00 0.00 175.22 174.48 3g5a s ILE 108 N 1.52 4.68 0.45 3.12 -1.09 -1.26 -1.69 121.20 126.94 3g5a s ILE 108 Ca 0.01 -0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 57.87 3g5a s ILE 108 Cb -0.13 -4.43 -0.09 0.00 -1.58 0.00 0.00 42.46 36.22 3g5a s ILE 108 CO -0.06 -1.01 0.93 -0.62 -1.23 0.00 0.00 174.94 172.95 3g5a s ASP 109 N 3.01 6.76 0.07 3.58 2.15 -1.26 -4.93 116.67 126.05 3g5a s ASP 109 Ca 0.19 1.56 0.01 0.00 0.43 0.00 0.00 52.55 54.74 3g5a s ASP 109 Cb -0.18 -2.49 -0.04 0.00 -0.30 0.00 0.00 42.92 39.91 3g5a s ASP 109 CO 0.12 -0.45 -0.06 -1.00 -0.17 0.00 0.00 175.17 173.62 3g5a s HIS 110 N -2.37 0.76 -0.11 -5.34 3.76 -1.26 -4.25 115.29 106.48 3g5a s HIS 110 Ca 0.59 -0.81 0.30 0.00 -0.15 0.00 0.00 55.06 54.98 3g5a s HIS 110 Cb -0.10 -0.46 1.28 0.00 1.11 0.00 0.00 32.58 34.42 3g5a s HIS 110 CO 0.23 -0.17 1.89 0.38 -0.85 0.00 0.00 174.74 176.22 3g5a h ASP 111 N 3.45 0.00 -0.40 1.40 3.04 -1.90 -2.92 116.42 119.09 3g5a h ASP 111 Ca -0.35 0.00 -0.17 0.00 -3.24 0.00 0.00 57.03 53.27 3g5a h ASP 111 Cb 1.17 0.00 -0.10 0.00 -1.04 0.00 0.00 39.33 39.36 3g5a h ASP 111 CO 0.58 0.00 0.02 -0.90 -2.04 0.00 0.00 179.24 176.90 3g5a n ASP 112 N -2.70 3.03 -4.76 4.15 5.68 -1.26 -5.01 116.55 115.68 3g5a n ASP 112 Ca 0.01 -3.55 -0.39 0.00 -0.50 0.00 0.00 54.79 50.37 3g5a n ASP 112 Cb 0.24 -0.63 -0.05 0.00 -1.14 0.00 0.00 41.12 39.53 3g5a n ASP 112 CO 0.00 0.00 0.00 -0.89 -1.33 0.00 0.00 177.20 174.98 3g5a s THR 113 N -3.14 3.93 0.27 2.12 2.01 -1.11 -0.79 115.64 118.94 3g5a s THR 113 Ca 0.45 1.78 -0.30 0.00 0.31 0.00 0.00 61.69 63.93 3g5a s THR 113 Cb 0.40 -4.07 -0.13 0.00 0.01 0.00 0.00 72.50 68.71 3g5a s THR 113 CO 0.04 0.30 1.35 0.49 -0.69 0.00 0.00 174.62 176.10 3g5a n PHE 114 N 0.95 2.14 -0.25 4.92 3.72 -1.26 -4.80 117.46 122.87 3g5a n PHE 114 Ca 0.00 0.49 -0.06 0.00 -0.05 0.00 0.00 57.45 57.83 3g5a n PHE 114 Cb 0.48 -2.43 0.08 0.00 -0.94 0.00 0.00 39.48 36.66 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 3.59 1.12 -0.93 -1.08 1.63 -1.99 -1.56 116.57 117.36 3g5a h LYS 115 Ca -0.45 -0.23 0.04 0.00 -0.85 0.00 0.00 60.65 59.15 3g5a h LYS 115 Cb 1.28 -0.16 -0.05 0.00 -0.60 0.00 0.00 32.23 32.69 3g5a h LYS 115 CO 0.71 0.95 0.60 1.15 -3.45 0.00 0.00 179.45 179.41 3g5a h THR 116 N 1.07 1.15 -0.56 1.00 2.02 -1.91 0.44 112.91 116.14 3g5a h THR 116 Ca 0.23 -0.40 -0.10 0.00 0.77 0.00 0.00 66.41 66.91 3g5a h THR 116 Cb 0.30 -0.11 -0.02 0.00 -1.74 0.00 0.00 68.15 66.58 3g5a h THR 116 CO -0.01 0.21 -0.06 0.25 0.37 0.00 0.00 175.52 176.29 3g5a h LEU 117 N 1.16 1.01 -0.20 2.58 5.85 -1.86 -0.22 115.31 123.64 3g5a h LEU 117 Ca 0.37 -0.33 0.03 0.00 0.84 0.00 0.00 57.88 58.79 3g5a h LEU 117 Cb 0.01 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3g5a h LEU 117 CO -0.12 1.10 -0.01 -0.33 -0.34 0.00 0.00 178.44 178.74 3g5a h GLU 118 N 0.90 0.05 -0.77 1.25 4.39 -0.55 -0.27 114.58 119.58 3g5a h GLU 118 Ca 0.15 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.87 3g5a h GLU 118 Cb 0.62 -0.01 -0.04 0.00 -0.10 0.00 0.00 28.75 29.21 3g5a h GLU 118 CO 0.04 0.03 0.49 -0.91 -1.16 0.00 0.00 179.01 177.51 3g5a h ASN 119 N 0.05 0.83 -0.58 1.42 2.35 -0.80 -1.95 115.58 116.90 3g5a h ASN 119 Ca 0.09 -0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.80 3g5a h ASN 119 Cb 0.12 -0.19 -0.03 0.00 0.05 0.00 0.00 38.32 38.28 3g5a h ASN 119 CO -0.17 0.58 0.23 0.15 -1.65 0.00 0.00 177.43 176.57 3g5a h PHE 120 N 0.98 0.89 -0.76 1.19 3.57 -0.57 -0.52 116.94 121.72 3g5a h PHE 120 Ca 0.30 -0.07 0.00 0.00 3.53 0.00 0.00 57.97 61.73 3g5a h PHE 120 Cb -0.02 -0.27 -0.04 0.00 2.79 0.00 0.00 35.95 38.42 3g5a h PHE 120 CO -0.03 0.72 0.48 0.82 -2.23 0.00 0.00 178.31 178.07 3g5a h ILE 121 N 0.81 1.21 0.48 1.41 2.04 -0.90 0.61 117.51 123.17 3g5a h ILE 121 Ca 0.19 -0.42 -0.01 0.00 1.00 0.00 0.00 64.86 65.62 3g5a h ILE 121 Cb 0.21 0.13 -0.01 0.00 -0.74 0.00 0.00 36.82 36.40 3g5a h ILE 121 CO -0.02 0.21 -0.36 -0.33 0.00 0.00 0.00 178.15 177.66 3g5a h GLU 122 N 1.03 -0.79 -0.92 2.37 5.08 -0.94 -1.33 114.58 119.08 3g5a h GLU 122 Ca 0.27 0.05 0.05 0.00 -1.00 0.00 0.00 59.36 58.74 3g5a h GLU 122 Cb -0.07 0.18 -0.06 0.00 0.50 0.00 0.00 28.75 29.30 3g5a h GLU 122 CO -0.05 -0.53 0.59 0.93 -1.00 0.00 0.00 179.01 178.95 3g5a h GLU 123 N -0.82 1.07 0.00 2.33 5.08 -0.90 -2.74 114.58 118.60 3g5a h GLU 123 Ca -0.05 -0.06 -0.07 0.00 -1.00 0.00 0.00 59.36 58.18 3g5a h GLU 123 Cb 0.70 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.69 3g5a h GLU 123 CO 0.01 0.71 -0.46 1.79 -1.00 0.00 0.00 179.01 180.05 3g5a h THR 124 N 1.10 0.47 -0.25 1.13 1.35 -0.84 -2.32 112.91 113.56 3g5a h THR 124 Ca 0.38 -1.69 -0.07 0.00 -0.55 0.00 0.00 66.41 64.48 3g5a h THR 124 Cb 0.09 2.17 -0.01 0.00 -1.73 0.00 0.00 68.15 68.67 3g5a h THR 124 CO -0.15 0.27 -0.17 0.28 -0.25 0.00 0.00 175.52 175.50 3g5a h SER 125 N 0.00 0.42 -0.00 5.36 0.02 -0.95 0.13 113.55 118.52 3g5a h SER 125 Ca -0.02 -0.11 -0.01 0.00 -0.84 0.00 0.00 61.79 60.81 3g5a h SER 125 Cb 1.24 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 63.67 3g5a h SER 125 CO 0.04 0.61 -0.04 0.25 -1.14 0.00 0.00 176.83 176.55 3g5a h LEU 126 N 0.39 0.04 -0.88 5.07 5.85 -1.44 -0.74 115.31 123.60 3g5a h LEU 126 Ca 0.07 -0.71 -0.03 0.00 0.84 0.00 0.00 57.88 58.05 3g5a h LEU 126 Cb 0.53 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.51 3g5a h LEU 126 CO 0.03 0.74 0.43 -0.09 -0.34 0.00 0.00 178.44 179.22 3g5a h ARG 127 N -0.66 1.24 -0.57 1.25 2.43 -1.13 -2.98 114.38 113.97 3g5a h ARG 127 Ca -0.00 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 3g5a h ARG 127 Cb 0.74 -0.23 0.00 0.00 -0.42 0.00 0.00 29.97 30.06 3g5a h ARG 127 CO 0.01 0.94 0.00 0.66 -1.51 0.00 0.00 179.97 180.06 3g5a n TYR 128 N -4.31 0.75 -3.76 2.20 4.01 0.42 -4.67 117.16 111.81 3g5a n TYR 128 Ca 0.09 -0.38 -0.25 0.00 -0.16 0.00 0.00 57.90 57.21 3g5a n TYR 128 Cb 0.13 0.00 0.02 0.00 -0.31 0.00 0.00 39.34 39.18 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 1.36 -1.96 -4.75 7.72 7.64 -1.06 -4.73 113.62 117.84 3g5a n SER 129 Ca 0.21 -0.92 -0.39 0.00 1.01 0.00 0.00 58.87 58.78 3g5a n SER 129 Cb 0.55 -3.63 -0.05 0.00 -1.01 0.00 0.00 64.21 60.07 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 -6.68 4.43 -0.80 -3.43 1.43 -0.31 -0.59 118.68 112.73 3g5a s LEU 130 Ca 0.12 1.29 -0.18 0.00 -1.03 0.00 0.00 54.13 54.32 3g5a s LEU 130 Cb -0.04 -3.06 0.13 0.00 0.03 0.00 0.00 46.19 43.25 3g5a s LEU 130 CO 0.84 0.06 0.94 -0.55 0.23 0.00 0.00 176.35 177.88 3g5a s SER 131 N -0.10 6.50 -0.30 2.29 0.15 0.13 -4.79 113.70 117.58 3g5a s SER 131 Ca 0.34 -1.90 -0.18 0.00 0.70 0.00 0.00 55.95 54.91 3g5a s SER 131 Cb -0.19 -2.34 -0.02 0.00 -1.71 0.00 0.00 66.02 61.76 3g5a s SER 131 CO 0.20 -1.03 0.51 -0.22 1.20 0.00 0.00 173.24 173.90 3g5a s LEU 132 N 2.37 4.18 -0.06 3.45 2.96 -1.26 -1.82 118.68 128.50 3g5a s LEU 132 Ca 0.24 0.25 -0.22 0.00 -0.22 0.00 0.00 54.13 54.18 3g5a s LEU 132 Cb -0.12 -2.62 -0.04 0.00 0.50 0.00 0.00 46.19 43.92 3g5a s LEU 132 CO -0.03 -0.38 0.63 -0.47 -1.32 0.00 0.00 176.35 174.78 3g5a s TYR 133 N 2.35 3.60 -0.13 5.38 5.04 -0.60 -5.01 117.35 127.98 3g5a s TYR 133 Ca 0.20 1.17 0.01 0.00 -2.44 0.00 0.00 57.07 56.01 3g5a s TYR 133 Cb -0.15 -2.71 0.02 0.00 0.35 0.00 0.00 41.96 39.47 3g5a s TYR 133 CO 0.11 0.18 -0.13 -1.21 -1.34 0.00 0.00 175.55 173.16 3g5a s GLU 134 N 0.48 2.10 0.87 4.97 2.02 -1.26 -0.87 118.70 127.02 3g5a s GLU 134 Ca 0.34 -0.49 -0.11 0.00 0.02 0.00 0.00 54.97 54.72 3g5a s GLU 134 Cb -0.17 -1.92 0.11 0.00 0.10 0.00 0.00 34.13 32.25 3g5a s GLU 134 CO 0.16 -0.18 1.09 -1.54 0.02 0.00 0.00 175.26 174.82 3g5a s SER 135 N 1.35 3.66 -0.28 -0.19 1.04 -0.68 -4.94 113.70 113.67 3g5a s SER 135 Ca 0.01 1.62 -0.29 0.00 0.48 0.00 0.00 55.95 57.77 3g5a s SER 135 Cb -0.13 -2.30 -0.00 0.00 0.10 0.00 0.00 66.02 63.69 3g5a s SER 135 CO -0.07 -2.54 1.30 -0.62 0.98 0.00 0.00 173.24 172.29 3g5a s ASP 136 N -3.34 6.71 0.54 7.02 2.15 -1.26 -4.10 116.67 124.38 3g5a s ASP 136 Ca 0.63 1.29 0.35 0.00 0.43 0.00 0.00 52.55 55.25 3g5a s ASP 136 Cb -0.18 -2.54 1.67 0.00 -0.30 0.00 0.00 42.92 41.57 3g5a s ASP 136 CO 0.57 -1.03 2.06 0.08 -0.17 0.00 0.00 175.17 176.67 3g5a h ARG 137 N 9.15 0.00 -0.12 4.34 -0.00 -1.91 -2.83 114.38 123.01 3g5a h ARG 137 Ca -0.26 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.72 3g5a h ARG 137 Cb 1.10 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 31.07 3g5a h ARG 137 CO 1.02 0.00 0.00 -0.25 -0.00 0.00 0.00 179.97 180.74 3g5a n ASP 138 N -2.92 2.39 -4.73 0.08 8.00 -1.26 -2.83 116.55 115.28 3g5a n ASP 138 Ca -0.01 -1.80 -0.38 0.00 0.71 0.00 0.00 54.79 53.32 3g5a n ASP 138 Cb 0.20 -0.07 -0.06 0.00 -0.02 0.00 0.00 41.12 41.17 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 -1.86 4.32 -0.58 -1.24 2.20 -1.07 -5.04 119.74 116.46 3g5a s LYS 139 Ca 0.34 0.48 -0.23 0.00 -0.36 0.00 0.00 55.97 56.20 3g5a s LYS 139 Cb 0.20 -3.42 0.05 0.00 -1.51 0.00 0.00 37.83 33.16 3g5a s LYS 139 CO 0.31 0.20 0.91 0.00 -0.36 0.00 0.00 175.35 176.41 3g5a s GLU 141 N 3.83 1.05 0.78 0.00 -1.05 -1.26 -5.14 118.70 116.92 3g5a s GLU 141 Ca 0.25 -0.59 -0.12 0.00 -0.15 0.00 0.00 54.97 54.37 3g5a s GLU 141 Cb -0.15 0.47 0.06 0.00 -0.44 0.00 0.00 34.13 34.07 3g5a s GLU 141 CO 0.15 -0.41 1.11 0.95 0.95 0.00 0.00 175.26 178.01 3g5a s THR 142 N -3.46 2.96 0.21 1.83 -4.23 -1.26 -4.87 115.64 106.81 3g5a s THR 142 Ca 0.01 0.31 -0.10 0.00 -1.18 0.00 0.00 61.69 60.73 3g5a s THR 142 Cb 0.01 -3.17 0.14 0.00 1.34 0.00 0.00 72.50 70.82 3g5a s THR 142 CO -0.10 -0.41 1.82 0.24 -0.54 0.00 0.00 174.62 175.63 3g5a h MET 143 N -0.99 0.69 -0.60 3.99 0.00 -2.02 -0.89 114.93 115.11 3g5a h MET 143 Ca -0.47 -0.04 0.12 0.00 0.00 0.00 0.00 59.70 59.31 3g5a h MET 143 Cb 1.28 -0.16 -0.09 0.00 0.00 0.00 0.00 31.60 32.63 3g5a h MET 143 CO 0.62 0.46 0.10 0.00 0.00 0.00 0.00 176.91 178.09 3g5a h ALA 144 N 1.33 0.69 -0.58 6.32 0.00 -1.93 0.12 119.26 125.21 3g5a h ALA 144 Ca 0.29 0.14 -0.08 0.00 0.00 0.00 0.00 54.91 55.26 3g5a h ALA 144 Cb 0.14 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.11 3g5a h ALA 144 CO -0.16 -0.33 0.05 0.93 0.00 0.00 0.00 179.25 179.74 3g5a h GLU 145 N 0.23 1.00 -0.82 0.00 5.08 -1.79 0.16 114.58 118.44 3g5a h GLU 145 Ca 0.32 -0.29 -0.01 0.00 -1.00 0.00 0.00 59.36 58.37 3g5a h GLU 145 Cb 0.48 -0.10 -0.04 0.00 0.50 0.00 0.00 28.75 29.59 3g5a h GLU 145 CO -0.43 0.97 0.46 0.00 -1.00 0.00 0.00 179.01 179.01 3g5a h ALA 146 N 0.99 1.05 0.00 3.43 0.00 -0.77 -2.47 119.26 121.48 3g5a h ALA 146 Ca 0.17 -0.11 -0.12 0.00 0.00 0.00 0.00 54.91 54.85 3g5a h ALA 146 Cb 0.49 -0.33 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 3g5a h ALA 146 CO 0.02 0.54 -0.56 0.74 0.00 0.00 0.00 179.25 179.99 3g5a h PHE 147 N 1.13 0.00 -0.57 0.00 0.04 -0.70 -1.41 116.94 115.44 3g5a h PHE 147 Ca 0.29 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.01 3g5a h PHE 147 Cb 0.01 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 3g5a h PHE 147 CO 0.00 0.56 0.16 1.49 -0.60 0.00 0.00 178.31 179.92 3g5a h GLU 148 N 0.00 0.90 0.03 1.51 4.57 -0.75 -1.43 114.58 119.41 3g5a h GLU 148 Ca -0.01 -0.20 -0.00 0.00 -1.18 0.00 0.00 59.36 57.97 3g5a h GLU 148 Cb 1.12 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.59 3g5a h GLU 148 CO 0.07 0.82 -0.01 1.15 -1.18 0.00 0.00 179.01 179.86 3g5a h THR 149 N 0.80 1.14 -0.85 0.32 2.02 -1.24 -2.27 112.91 112.84 3g5a h THR 149 Ca 0.18 -0.52 0.22 0.00 0.77 0.00 0.00 66.41 67.06 3g5a h THR 149 Cb 0.31 1.49 -0.13 0.00 -1.74 0.00 0.00 68.15 68.08 3g5a h THR 149 CO -0.00 0.13 0.22 0.15 0.37 0.00 0.00 175.52 176.40 3g5a h PHE 150 N -0.27 0.34 0.00 3.16 3.57 -1.20 -1.21 116.94 121.33 3g5a h PHE 150 Ca -0.00 0.05 -0.05 0.00 3.53 0.00 0.00 57.97 61.50 3g5a h PHE 150 Cb 0.25 -0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.97 3g5a h PHE 150 CO 0.00 -0.18 -0.22 -0.07 -2.23 0.00 0.00 178.31 175.62 3g5a h LEU 151 N 0.23 0.00 -0.24 0.59 -0.00 -0.93 0.38 115.31 115.35 3g5a h LEU 151 Ca 0.52 0.00 -0.19 0.00 -0.00 0.00 0.00 57.88 58.21 3g5a h LEU 151 Cb 1.01 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.68 3g5a h LEU 151 CO -0.62 0.22 -0.61 1.56 -0.00 0.00 0.00 178.44 178.99 3g5a h GLN 152 N 0.00 0.83 -0.38 1.13 4.20 -0.67 -2.10 115.11 118.12 3g5a h GLN 152 Ca -0.00 -0.57 -0.07 0.00 0.06 0.00 0.00 58.65 58.06 3g5a h GLN 152 Cb 0.86 0.09 -0.01 0.00 0.30 0.00 0.00 27.48 28.71 3g5a h GLN 152 CO 0.03 1.20 -0.05 0.28 -0.67 0.00 0.00 178.83 179.62 3g5a h VAL 153 N 0.59 1.27 -2.51 -0.54 2.07 -1.08 -3.36 116.25 112.69 3g5a h VAL 153 Ca -0.01 -1.09 -0.60 0.00 0.82 0.00 0.00 66.70 65.81 3g5a h VAL 153 Cb 1.22 1.21 -0.41 0.00 -1.52 0.00 0.00 31.29 31.79 3g5a h VAL 153 CO 0.13 0.36 -0.66 0.49 0.02 0.00 0.00 177.57 177.92 3g5a n PHE 154 N -4.41 2.86 0.91 1.57 3.72 0.10 -4.93 117.46 117.27 3g5a n PHE 154 Ca -0.01 -4.11 0.08 0.00 -0.05 0.00 0.00 57.45 53.36 3g5a n PHE 154 Cb 0.32 -0.51 0.46 0.00 -0.94 0.00 0.00 39.48 38.81 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 1.43 0.36 0.16 -1.08 -0.04 -0.79 -2.09 135.00 132.94 3g5a n PRO 155 Ca 0.26 0.08 0.13 0.00 -0.04 0.00 0.00 63.50 63.93 3g5a n PRO 155 Cb 0.40 -1.50 0.47 0.00 -0.04 0.00 0.00 33.50 32.83 3g5a n PRO 155 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 3g5a h GLU 156 N 0.00 0.00 -6.36 0.54 9.09 -1.88 -3.46 114.58 112.51 3g5a h GLU 156 Ca 0.00 0.00 -0.54 0.00 0.05 0.00 0.00 59.36 58.87 3g5a h GLU 156 Cb 0.10 0.00 0.01 0.00 -1.65 0.00 0.00 28.75 27.21 3g5a h GLU 156 CO 0.00 0.00 1.10 0.99 0.05 0.00 0.00 179.01 181.15 3g5a s THR 157 N -3.30 3.22 -0.02 -1.06 2.01 -0.89 -4.21 115.64 111.39 3g5a s THR 157 Ca 0.06 0.43 0.12 0.00 0.31 0.00 0.00 61.69 62.61 3g5a s THR 157 Cb 0.10 -3.28 -0.18 0.00 0.01 0.00 0.00 72.50 69.15 3g5a s THR 157 CO 0.50 -0.02 0.25 0.29 -0.69 0.00 0.00 174.62 174.95 3g5a n LYS 158 N 6.67 0.35 -3.64 4.92 5.02 0.39 -4.97 118.16 126.90 3g5a n LYS 158 Ca 0.17 -0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.21 3g5a n LYS 158 Cb 0.41 -1.28 -0.08 0.00 -0.02 0.00 0.00 35.03 34.07 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 -2.80 -1.38 -0.05 7.82 0.00 -0.77 -1.23 121.76 123.35 3g5a s ALA 159 Ca -0.04 1.13 0.00 0.00 0.00 0.00 0.00 51.96 53.05 3g5a s ALA 159 Cb 0.07 -0.28 0.02 0.00 0.00 0.00 0.00 23.12 22.94 3g5a s ALA 159 CO 0.48 -0.31 -0.02 0.42 0.00 0.00 0.00 175.76 176.33 3g5a s ILE 160 N -0.75 0.42 -0.01 0.00 1.01 0.22 -1.53 121.20 120.57 3g5a s ILE 160 Ca -0.08 -0.01 -0.30 0.00 0.00 0.00 0.00 60.65 60.26 3g5a s ILE 160 Cb -0.03 -0.50 -0.03 0.00 0.01 0.00 0.00 42.46 41.91 3g5a s ILE 160 CO 0.05 0.22 0.96 -0.69 0.00 0.00 0.00 174.94 175.49 3g5a s VAL 161 N 1.26 4.88 -0.04 2.92 1.01 0.02 -0.99 120.40 129.46 3g5a s VAL 161 Ca -0.06 2.02 0.02 0.00 0.00 0.00 0.00 61.98 63.96 3g5a s VAL 161 Cb -0.14 -4.30 0.01 0.00 0.00 0.00 0.00 36.38 31.96 3g5a s VAL 161 CO -0.02 0.16 -0.07 -0.63 0.00 0.00 0.00 175.10 174.54 3g5a s ILE 162 N 1.01 0.73 -0.41 2.22 1.01 0.11 -0.78 121.20 125.09 3g5a s ILE 162 Ca 0.51 -0.27 -0.02 0.00 0.00 0.00 0.00 60.65 60.88 3g5a s ILE 162 Cb -0.21 -0.69 0.23 0.00 0.01 0.00 0.00 42.46 41.80 3g5a s ILE 162 CO 0.27 0.25 2.14 0.61 0.00 0.00 0.00 174.94 178.21 3g5a n GLY 163 N 3.74 4.46 3.80 6.18 0.00 -1.26 -4.34 105.19 117.78 3g5a n GLY 163 Ca -0.23 -1.44 -0.35 0.00 0.00 0.00 0.00 46.02 44.01 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 -2.76 4.26 0.22 -0.61 2.07 -1.26 -4.48 121.20 118.64 3g5a s ILE 164 Ca 0.41 1.59 0.10 0.00 -1.41 0.00 0.00 60.65 61.35 3g5a s ILE 164 Cb 0.31 -3.75 -0.05 0.00 0.13 0.00 0.00 42.46 39.10 3g5a s ILE 164 CO -0.05 -0.13 -0.20 -0.13 -1.91 0.00 0.00 174.94 172.53 3g5a s ARG 165 N -2.72 1.49 0.37 3.50 0.52 -1.26 -3.49 118.95 117.36 3g5a s ARG 165 Ca 0.58 -1.59 0.08 0.00 -0.52 0.00 0.00 55.73 54.27 3g5a s ARG 165 Cb -0.14 -1.59 0.80 0.00 0.52 0.00 0.00 34.95 34.54 3g5a s ARG 165 CO 0.18 0.31 1.93 0.45 0.02 0.00 0.00 175.30 178.20 3g5a h HIS 166 N 2.80 0.74 0.00 -0.53 3.86 -1.17 -1.11 115.15 119.73 3g5a h HIS 166 Ca -0.42 0.02 0.00 0.00 -1.16 0.00 0.00 60.37 58.81 3g5a h HIS 166 Cb 1.23 -0.24 0.00 0.00 1.06 0.00 0.00 27.41 29.46 3g5a h HIS 166 CO 0.73 0.35 0.00 1.79 0.86 0.00 0.00 177.93 181.66 3g5a h THR 167 N 0.70 0.00 -4.20 2.45 1.35 -1.87 -3.18 112.91 108.16 3g5a h THR 167 Ca 0.35 -0.18 -0.50 0.00 -0.55 0.00 0.00 66.41 65.53 3g5a h THR 167 Cb 0.44 0.87 0.08 0.00 -1.73 0.00 0.00 68.15 67.82 3g5a h THR 167 CO -0.13 0.00 0.38 -1.81 -0.25 0.00 0.00 175.52 173.71 3g5a s ASP 168 N -4.37 5.43 0.16 5.36 1.01 -0.42 -4.92 116.67 118.92 3g5a s ASP 168 Ca 0.01 1.92 -0.33 0.00 0.71 0.00 0.00 52.55 54.86 3g5a s ASP 168 Cb 0.08 -2.54 -0.16 0.00 1.01 0.00 0.00 42.92 41.31 3g5a s ASP 168 CO 0.35 -1.41 1.21 -2.65 0.21 0.00 0.00 175.17 172.87 3g5a n PRO 169 N -2.22 1.23 -1.46 8.23 -0.02 -1.26 -1.04 135.00 138.46 3g5a n PRO 169 Ca 0.10 0.44 -0.16 0.00 -2.02 0.00 0.00 63.50 61.86 3g5a n PRO 169 Cb 0.52 -1.97 -0.07 0.00 -0.02 0.00 0.00 33.50 31.97 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 1.68 0.00 0.52 6.00 3.72 -1.26 -4.89 117.46 123.24 3g5a n PHE 170 Ca 0.15 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.67 3g5a n PHE 170 Cb 0.24 -2.84 0.16 0.00 -0.94 0.00 0.00 39.48 36.10 3g5a n PHE 170 CO 0.00 0.00 0.00 0.78 -0.05 0.00 0.00 176.76 177.49 3g5a h GLY 171 N 0.00 0.00 0.99 1.37 0.00 -1.22 -3.41 103.07 100.79 3g5a h GLY 171 Ca -0.33 0.00 0.01 0.00 0.00 0.00 0.00 47.33 47.01 3g5a h GLY 171 CO 0.48 0.00 0.41 -2.09 0.00 0.00 0.00 176.54 175.34 3g5a h GLU 172 N 0.00 0.82 -0.08 4.80 4.81 -1.77 -2.91 114.58 120.26 3g5a h GLU 172 Ca 0.00 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.18 3g5a h GLU 172 Cb 0.77 -0.18 0.00 0.00 0.63 0.00 0.00 28.75 29.97 3g5a h GLU 172 CO 0.00 0.54 0.00 0.72 -0.73 0.00 0.00 179.01 179.54 3g5a n HIS 173 N -4.66 0.08 -1.96 0.92 8.25 -1.26 -4.98 115.22 111.61 3g5a n HIS 173 Ca 0.05 -0.04 -0.34 0.00 -0.26 0.00 0.00 57.72 57.14 3g5a n HIS 173 Cb 0.03 0.00 0.03 0.00 1.12 0.00 0.00 29.99 31.17 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 -1.89 3.52 0.21 2.41 1.43 -1.10 -5.07 118.68 118.19 3g5a s LEU 174 Ca 0.34 2.04 0.10 0.00 -1.03 0.00 0.00 54.13 55.57 3g5a s LEU 174 Cb 0.20 -4.56 -0.05 0.00 0.03 0.00 0.00 46.19 41.82 3g5a s LEU 174 CO 0.31 -1.44 -0.19 -0.54 0.23 0.00 0.00 176.35 174.72 3g5a s LYS 175 N -3.82 1.43 0.38 1.70 -0.14 -1.26 -5.04 119.74 112.99 3g5a s LYS 175 Ca 0.68 -1.55 0.08 0.00 -1.36 0.00 0.00 55.97 53.83 3g5a s LYS 175 Cb -0.21 -1.49 0.83 0.00 -1.68 0.00 0.00 37.83 35.28 3g5a s LYS 175 CO 0.36 0.29 1.95 -1.35 -0.76 0.00 0.00 175.35 175.84 3g5a h PRO 176 N 2.87 0.63 -3.76 -1.68 0.11 -1.92 -3.38 132.00 124.87 3g5a h PRO 176 Ca -0.42 -0.04 -0.45 0.00 0.11 0.00 0.00 66.00 65.21 3g5a h PRO 176 Cb 1.22 -0.14 -0.38 0.00 0.11 0.00 0.00 31.00 31.81 3g5a h PRO 176 CO 0.55 0.42 -0.77 0.42 -0.21 0.00 0.00 178.00 178.41 3g5a s ILE 177 N -5.60 0.45 -0.09 4.15 1.01 -1.26 -0.09 121.20 119.77 3g5a s ILE 177 Ca -0.09 0.06 -0.28 0.00 0.00 0.00 0.00 60.65 60.34 3g5a s ILE 177 Cb 0.20 -0.60 0.07 0.00 0.01 0.00 0.00 42.46 42.13 3g5a s ILE 177 CO 0.77 0.26 0.65 0.00 0.00 0.00 0.00 174.94 176.62 3g5a s GLN 178 N 1.94 0.97 0.64 2.79 -2.07 -0.91 -5.02 119.66 118.00 3g5a s GLN 178 Ca 0.05 0.37 -0.16 0.00 -1.82 0.00 0.00 55.36 53.80 3g5a s GLN 178 Cb -0.12 0.46 -0.01 0.00 -1.09 0.00 0.00 33.01 32.25 3g5a s GLN 178 CO -0.06 -0.27 1.15 0.15 -1.32 0.00 0.00 175.29 174.95 3g5a s LYS 179 N -0.86 2.79 1.04 9.60 1.02 -1.26 -0.06 119.74 132.01 3g5a s LYS 179 Ca -0.09 1.57 -0.12 0.00 0.02 0.00 0.00 55.97 57.35 3g5a s LYS 179 Cb -0.01 -1.93 0.21 0.00 -0.52 0.00 0.00 37.83 35.57 3g5a s LYS 179 CO 0.07 -1.29 1.07 0.95 -0.92 0.00 0.00 175.35 175.24 3g5a s THR 180 N -2.06 2.16 0.81 2.17 -4.23 -0.42 -4.75 115.64 109.33 3g5a s THR 180 Ca 0.71 0.05 -0.12 0.00 -1.18 0.00 0.00 61.69 61.16 3g5a s THR 180 Cb -0.24 -2.20 0.08 0.00 1.34 0.00 0.00 72.50 71.48 3g5a s THR 180 CO 0.38 -0.07 1.12 -1.81 -0.54 0.00 0.00 174.62 173.70 3g5a s ASP 181 N -2.77 4.43 0.49 3.99 1.01 -1.26 -4.91 116.67 117.64 3g5a s ASP 181 Ca 0.67 1.10 0.22 0.00 0.71 0.00 0.00 52.55 55.25 3g5a s ASP 181 Cb -0.23 -1.77 1.26 0.00 1.01 0.00 0.00 42.92 43.20 3g5a s ASP 181 CO 0.61 -1.99 1.95 0.00 0.21 0.00 0.00 175.17 175.95 3g5a h ALA 182 N -1.10 2.38 -0.10 5.23 0.00 -1.96 -1.61 119.26 122.09 3g5a h ALA 182 Ca -0.47 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3g5a h ALA 182 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3g5a h ALA 182 CO 0.62 -0.56 0.00 0.27 0.00 0.00 0.00 179.25 179.57 3g5a n ASN 183 N -4.41 1.31 -4.80 0.00 6.94 -1.26 -4.88 115.26 108.17 3g5a n ASN 183 Ca 0.13 -1.59 -0.22 0.00 -0.02 0.00 0.00 54.58 52.88 3g5a n ASN 183 Cb 0.62 -0.06 -0.05 0.00 -2.36 0.00 0.00 39.78 37.93 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 -1.87 2.86 0.75 -2.53 0.52 -0.61 -4.94 118.94 113.11 3g5a s TRP 184 Ca 0.34 -0.29 -0.14 0.00 0.02 0.00 0.00 56.10 56.02 3g5a s TRP 184 Cb 0.18 -1.64 0.05 0.00 -1.15 0.00 0.00 33.47 30.90 3g5a s TRP 184 CO 0.28 0.31 1.20 -1.25 0.02 0.00 0.00 176.95 177.51 3g5a s PRO 185 N -3.90 2.05 -0.37 4.98 0.04 -1.26 -4.87 135.00 131.67 3g5a s PRO 185 Ca 0.38 1.73 -0.23 0.00 0.04 0.00 0.00 61.00 62.91 3g5a s PRO 185 Cb -0.05 -1.83 0.01 0.00 0.04 0.00 0.00 34.50 32.67 3g5a s PRO 185 CO 0.25 -1.90 0.78 0.34 0.04 0.00 0.00 177.00 176.51 3g5a s ASP 186 N -2.12 6.55 0.27 6.66 2.15 -1.26 -4.77 116.67 124.13 3g5a s ASP 186 Ca 0.73 0.33 -0.21 0.00 0.43 0.00 0.00 52.55 53.83 3g5a s ASP 186 Cb -0.28 -2.40 0.03 0.00 -0.30 0.00 0.00 42.92 39.97 3g5a s ASP 186 CO 0.47 -0.74 0.72 0.72 -0.17 0.00 0.00 175.17 176.16 3g5a s PHE 187 N 3.12 -0.21 0.02 -5.34 -0.71 -1.26 -5.00 117.98 108.59 3g5a s PHE 187 Ca 0.31 -0.22 -0.23 0.00 -1.04 0.00 0.00 56.93 55.75 3g5a s PHE 187 Cb -0.13 0.70 -0.05 0.00 -1.21 0.00 0.00 43.02 42.32 3g5a s PHE 187 CO 0.17 -1.19 0.71 0.71 -1.34 0.00 0.00 175.22 174.28 3g5a s TYR 188 N -3.88 3.70 -0.09 3.49 2.02 -0.36 -1.30 117.35 120.93 3g5a s TYR 188 Ca 0.10 1.36 -0.25 0.00 -0.37 0.00 0.00 57.07 57.91 3g5a s TYR 188 Cb -0.05 -2.76 -0.03 0.00 -0.40 0.00 0.00 41.96 38.72 3g5a s TYR 188 CO 0.05 0.27 0.80 1.03 -1.57 0.00 0.00 175.55 176.13 3g5a s ARG 189 N 0.02 4.42 -0.27 -0.62 0.52 0.91 -0.61 118.95 123.31 3g5a s ARG 189 Ca 0.36 1.04 -0.03 0.00 -0.52 0.00 0.00 55.73 56.58 3g5a s ARG 189 Cb -0.19 -3.49 0.03 0.00 0.52 0.00 0.00 34.95 31.81 3g5a s ARG 189 CO 0.21 -0.09 -0.01 -0.51 0.02 0.00 0.00 175.30 174.92 3g5a s LEU 190 N 1.29 3.54 -0.55 2.53 1.43 -0.16 -2.14 118.68 124.61 3g5a s LEU 190 Ca 0.41 -0.92 0.05 0.00 -1.03 0.00 0.00 54.13 52.64 3g5a s LEU 190 Cb -0.18 -1.74 0.19 0.00 0.03 0.00 0.00 46.19 44.49 3g5a s LEU 190 CO 0.18 -0.18 0.48 0.00 0.23 0.00 0.00 176.35 177.07 3g5a n GLN 191 N 4.72 1.21 -0.15 1.70 6.02 0.87 -0.71 117.38 131.03 3g5a n GLN 191 Ca -0.15 -3.89 0.09 0.00 -0.01 0.00 0.00 57.00 53.04 3g5a n GLN 191 Cb 0.46 -1.93 0.27 0.00 1.02 0.00 0.00 30.24 30.07 3g5a n GLN 191 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3g5a n PRO 192 N 2.04 1.92 -0.17 -1.09 -0.02 -1.26 -3.89 135.00 132.53 3g5a n PRO 192 Ca 0.25 -1.41 0.07 0.00 -2.02 0.00 0.00 63.50 60.39 3g5a n PRO 192 Cb 0.43 -1.37 0.16 0.00 -0.02 0.00 0.00 33.50 32.69 3g5a n PRO 192 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3g5a n LEU 193 N 0.63 2.92 -0.34 2.45 7.94 -1.26 -4.43 117.00 124.91 3g5a n LEU 193 Ca 0.15 -1.78 0.05 0.00 -1.11 0.00 0.00 56.01 53.32 3g5a n LEU 193 Cb 0.37 -0.22 0.20 0.00 0.53 0.00 0.00 43.42 44.29 3g5a n LEU 193 CO 0.12 0.70 1.21 -0.07 -1.11 0.00 0.00 177.39 178.23 3g5a h LEU 194 N 2.54 0.86 0.00 -1.96 3.38 -1.67 -1.47 115.31 116.99 3g5a h LEU 194 Ca 0.00 0.04 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3g5a h LEU 194 Cb 0.74 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 41.36 3g5a h LEU 194 CO 0.00 0.49 0.00 0.00 0.09 0.00 0.00 178.44 179.02 3g5a n HIS 195 N -4.64 0.00 -2.61 1.13 1.44 -1.26 -0.80 115.22 108.48 3g5a n HIS 195 Ca 0.16 0.00 -0.42 0.00 -2.01 0.00 0.00 57.72 55.45 3g5a n HIS 195 Cb 0.29 -0.17 -0.03 0.00 0.12 0.00 0.00 29.99 30.20 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 -2.34 3.59 0.51 -1.40 0.52 -0.55 -5.01 118.94 114.26 3g5a s TRP 196 Ca 0.35 1.57 0.04 0.00 0.02 0.00 0.00 56.10 58.07 3g5a s TRP 196 Cb 0.20 -3.22 0.03 0.00 -1.15 0.00 0.00 33.47 29.32 3g5a s TRP 196 CO 0.40 -0.44 0.71 0.54 0.02 0.00 0.00 176.95 178.18 3g5a s ASN 197 N 0.96 5.39 0.24 2.95 2.20 -1.26 -4.73 114.94 120.70 3g5a s ASN 197 Ca 0.54 -0.16 -0.06 0.00 -0.94 0.00 0.00 52.86 52.24 3g5a s ASN 197 Cb -0.24 -0.78 0.30 0.00 -2.00 0.00 0.00 41.25 38.52 3g5a s ASN 197 CO 0.29 -1.03 1.89 0.25 -2.94 0.00 0.00 177.10 175.56 3g5a h LEU 198 N 0.25 0.99 -1.40 3.54 5.85 -1.96 -2.23 115.31 120.37 3g5a h LEU 198 Ca -0.41 -0.01 -0.01 0.00 0.84 0.00 0.00 57.88 58.29 3g5a h LEU 198 Cb 1.29 -0.22 -0.02 0.00 0.37 0.00 0.00 40.66 42.08 3g5a h LEU 198 CO 0.50 0.68 0.24 0.00 -0.34 0.00 0.00 178.44 179.51 3g5a h ALA 199 N 1.38 1.54 -0.26 1.25 0.00 -1.86 -1.89 119.26 119.42 3g5a h ALA 199 Ca 0.37 -0.09 -0.09 0.00 0.00 0.00 0.00 54.91 55.10 3g5a h ALA 199 Cb 0.01 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.61 3g5a h ALA 199 CO -0.12 0.38 -0.20 -0.91 0.00 0.00 0.00 179.25 178.39 3g5a h ASN 200 N 0.66 0.63 -0.04 0.00 -0.26 -1.74 -1.18 115.58 113.64 3g5a h ASN 200 Ca 0.17 -0.45 0.03 0.00 -0.56 0.00 0.00 56.30 55.49 3g5a h ASN 200 Cb 0.05 -0.18 -0.04 0.00 -1.06 0.00 0.00 38.32 37.09 3g5a h ASN 200 CO -0.03 0.95 -0.18 0.40 -1.06 0.00 0.00 177.43 177.51 3g5a h ILE 201 N 0.32 0.56 -0.23 2.81 1.08 -1.22 -1.72 117.51 119.11 3g5a h ILE 201 Ca 0.05 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.51 3g5a h ILE 201 Cb 0.74 0.56 -0.01 0.00 -3.07 0.00 0.00 36.82 35.05 3g5a h ILE 201 CO 0.05 0.00 0.11 -0.50 -0.69 0.00 0.00 178.15 177.13 3g5a h TRP 202 N -0.27 0.34 0.21 1.37 -0.00 -1.35 -0.85 115.95 115.41 3g5a h TRP 202 Ca 0.07 -0.02 0.01 0.00 -0.00 0.00 0.00 58.89 58.95 3g5a h TRP 202 Cb 0.36 -0.10 -0.04 0.00 -0.00 0.00 0.00 29.16 29.38 3g5a h TRP 202 CO -0.25 0.32 -0.44 1.03 -0.00 0.00 0.00 178.44 179.11 3g5a h SER 203 N 0.25 -1.27 -0.68 -3.49 0.87 -1.00 -0.44 113.55 107.80 3g5a h SER 203 Ca 0.08 0.13 -0.04 0.00 -1.23 0.00 0.00 61.79 60.73 3g5a h SER 203 Cb 0.11 0.46 -0.03 0.00 -0.44 0.00 0.00 62.40 62.50 3g5a h SER 203 CO -0.01 -0.53 0.28 0.15 -0.53 0.00 0.00 176.83 176.19 3g5a h PHE 204 N -0.74 1.02 -0.51 2.24 3.57 -1.33 -2.26 116.94 118.93 3g5a h PHE 204 Ca -0.00 -0.07 -0.12 0.00 3.53 0.00 0.00 57.97 61.31 3g5a h PHE 204 Cb 0.72 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.14 3g5a h PHE 204 CO -0.34 0.79 -0.13 1.25 -2.23 0.00 0.00 178.31 177.65 3g5a h LEU 205 N 0.96 0.98 -0.52 0.59 5.85 -0.88 -1.08 115.31 121.20 3g5a h LEU 205 Ca 0.23 -0.33 -0.15 0.00 0.84 0.00 0.00 57.88 58.46 3g5a h LEU 205 Cb 0.19 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 40.95 3g5a h LEU 205 CO -0.02 1.11 -0.47 -0.07 -0.34 0.00 0.00 178.44 178.65 3g5a h LEU 206 N 0.86 0.72 -1.01 2.25 3.38 -1.05 -3.02 115.31 117.44 3g5a h LEU 206 Ca 0.13 -0.35 -0.09 0.00 0.09 0.00 0.00 57.88 57.66 3g5a h LEU 206 Cb 0.69 -0.20 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 3g5a h LEU 206 CO 0.05 1.08 -0.25 0.22 0.09 0.00 0.00 178.44 179.63 3g5a h TYR 207 N 0.53 0.46 -0.05 1.13 3.20 -1.27 -3.20 116.97 117.76 3g5a h TYR 207 Ca 0.03 -0.09 0.01 0.00 3.14 0.00 0.00 58.73 61.82 3g5a h TYR 207 Cb 1.02 -0.12 -0.00 0.00 1.54 0.00 0.00 36.73 39.17 3g5a h TYR 207 CO 0.05 0.63 0.07 0.66 -1.64 0.00 0.00 178.16 177.93 3g5a h SER 208 N 0.37 0.00 -1.12 -2.11 4.64 -1.06 0.85 113.55 115.12 3g5a h SER 208 Ca 0.06 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.97 3g5a h SER 208 Cb 0.64 0.00 -0.15 0.00 -0.31 0.00 0.00 62.40 62.58 3g5a h SER 208 CO 0.05 0.00 -0.38 -3.20 -0.87 0.00 0.00 176.83 172.42 3g5a n ASN 209 N -3.71 -5.44 -4.80 4.97 5.15 -1.21 -4.47 115.26 105.75 3g5a n ASN 209 Ca -0.02 0.45 -0.36 0.00 -0.60 0.00 0.00 54.58 54.05 3g5a n ASN 209 Cb 0.16 -4.68 -0.06 0.00 -0.53 0.00 0.00 39.78 34.66 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 -3.81 4.39 0.33 1.20 0.41 -1.26 -4.92 118.70 115.04 3g5a s GLU 210 Ca 0.00 1.09 -0.29 0.00 -0.41 0.00 0.00 54.97 55.35 3g5a s GLU 210 Cb 0.00 -2.76 -0.11 0.00 -1.78 0.00 0.00 34.13 29.47 3g5a s GLU 210 CO 0.00 0.30 1.56 -2.14 -0.49 0.00 0.00 175.26 174.49 3g5a s PRO 211 N -2.16 4.10 0.21 0.39 0.02 -1.26 -4.98 135.00 131.32 3g5a s PRO 211 Ca 0.48 2.60 0.11 0.00 0.02 0.00 0.00 61.00 64.21 3g5a s PRO 211 Cb -0.17 -2.99 -0.05 0.00 0.02 0.00 0.00 34.50 31.32 3g5a s PRO 211 CO 0.21 -0.61 -0.22 0.96 -0.33 0.00 0.00 177.00 177.01 3g5a s ILE 212 N -0.45 2.27 -0.08 2.83 -4.36 -1.26 -5.07 121.20 115.08 3g5a s ILE 212 Ca 0.59 -2.11 -0.38 0.00 -0.26 0.00 0.00 60.65 58.49 3g5a s ILE 212 Cb -0.48 -2.12 -0.16 0.00 1.25 0.00 0.00 42.46 40.96 3g5a s ILE 212 CO 0.55 -0.24 1.54 0.00 0.24 0.00 0.00 174.94 177.03 3g5a h GLU 214 N 5.89 0.00 -0.85 0.00 4.57 -1.90 -2.14 114.58 120.14 3g5a h GLU 214 Ca -0.47 0.00 0.14 0.00 -1.18 0.00 0.00 59.36 57.85 3g5a h GLU 214 Cb 1.32 0.00 -0.06 0.00 -0.16 0.00 0.00 28.75 29.85 3g5a h GLU 214 CO 0.87 0.01 0.55 -0.07 -1.18 0.00 0.00 179.01 179.19 3g5a h LEU 215 N 0.00 0.61 -0.77 1.64 3.38 -1.95 -2.13 115.31 116.08 3g5a h LEU 215 Ca -0.00 0.03 0.03 0.00 0.09 0.00 0.00 57.88 58.03 3g5a h LEU 215 Cb 0.08 -0.09 -0.05 0.00 0.09 0.00 0.00 40.66 40.69 3g5a h LEU 215 CO 0.00 0.32 0.49 1.88 0.09 0.00 0.00 178.44 181.22 3g5a h TYR 216 N 0.65 0.92 -0.52 1.13 0.05 -1.58 -1.22 116.97 116.40 3g5a h TYR 216 Ca 0.42 0.02 0.15 0.00 0.05 0.00 0.00 58.73 59.38 3g5a h TYR 216 Cb 0.70 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 38.11 3g5a h TYR 216 CO -0.00 0.53 0.42 -0.09 -1.05 0.00 0.00 178.16 177.97 3g5a h ARG 217 N 0.96 0.00 -0.58 4.88 9.65 -1.56 0.35 114.38 128.08 3g5a h ARG 217 Ca 0.31 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 59.19 3g5a h ARG 217 Cb 0.01 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 28.59 3g5a h ARG 217 CO -0.11 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.32 3g5a n TYR 218 N -4.16 0.85 0.00 2.20 4.01 -0.47 -4.02 117.16 115.57 3g5a n TYR 218 Ca 0.10 -0.40 0.00 0.00 -0.16 0.00 0.00 57.90 57.44 3g5a n TYR 218 Cb 0.64 -0.04 0.00 0.00 -0.31 0.00 0.00 39.34 39.62 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 1.31 0.52 3.76 2.72 0.00 -0.81 -4.71 105.19 107.99 3g5a n GLY 219 Ca 0.19 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.82 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 3.54 0.00 1.61 0.08 -1.14 -0.48 117.98 119.58 3g5a s PHE 220 Ca 0.00 1.70 0.00 0.00 0.12 0.00 0.00 56.93 58.75 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 -0.54 0.00 0.25 -0.10 0.00 0.00 175.22 174.83 3g5a n THR 221 N 0.99 0.00 -3.79 0.64 -2.24 -1.26 -3.93 114.28 104.69 3g5a n THR 221 Ca -0.00 -0.21 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 3g5a n THR 221 Cb 0.46 0.71 -0.14 0.00 -2.10 0.00 0.00 70.33 69.25 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 -1.23 -0.07 -0.50 3.42 0.15 -1.25 -4.93 113.70 109.29 3g5a s SER 222 Ca 0.00 0.21 -0.07 0.00 0.70 0.00 0.00 55.95 56.79 3g5a s SER 222 Cb 0.00 0.14 0.13 0.00 -1.71 0.00 0.00 66.02 64.58 3g5a s SER 222 CO 0.00 -0.10 0.34 -0.76 1.20 0.00 0.00 173.24 173.92 3g5a s LEU 223 N 0.73 5.57 0.00 3.45 1.43 -1.26 -4.87 118.68 123.74 3g5a s LEU 223 Ca -0.06 -2.12 0.00 0.00 -1.03 0.00 0.00 54.13 50.92 3g5a s LEU 223 Cb -0.08 -1.95 0.00 0.00 0.03 0.00 0.00 46.19 44.19 3g5a s LEU 223 CO -0.03 -0.60 0.00 0.61 0.23 0.00 0.00 176.35 176.56 3g5a n GLY 224 N 4.57 1.71 3.90 -3.19 0.00 -1.26 -5.10 105.19 105.81 3g5a n GLY 224 Ca -0.03 -1.80 -0.29 0.00 0.00 0.00 0.00 46.02 43.90 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 4.66 0.48 1.61 2.20 -1.26 -4.69 114.94 116.94 3g5a s ASN 225 Ca 0.00 0.78 0.23 0.00 -0.94 0.00 0.00 52.86 52.93 3g5a s ASN 225 Cb 0.00 -1.33 1.24 0.00 -2.00 0.00 0.00 41.25 39.16 3g5a s ASN 225 CO 0.00 -1.80 2.01 -0.37 -2.94 0.00 0.00 177.10 174.00 3g5a h VAL 226 N -0.95 0.77 0.19 3.54 -1.51 -1.28 -2.34 116.25 114.68 3g5a h VAL 226 Ca -0.46 -0.68 -0.32 0.00 -1.23 0.00 0.00 66.70 64.02 3g5a h VAL 226 Cb 1.32 1.41 0.02 0.00 -2.13 0.00 0.00 31.29 31.91 3g5a h VAL 226 CO 0.65 0.17 -1.50 -0.08 -1.23 0.00 0.00 177.57 175.57 3g5a h GLU 227 N 0.00 0.40 0.00 5.19 4.22 -1.93 -3.38 114.58 119.08 3g5a h GLU 227 Ca -0.00 -0.69 -0.10 0.00 0.08 0.00 0.00 59.36 58.65 3g5a h GLU 227 Cb 0.40 0.26 -0.02 0.00 0.50 0.00 0.00 28.75 29.89 3g5a h GLU 227 CO 0.02 1.33 -0.95 1.05 -2.18 0.00 0.00 179.01 178.28 3g5a h GLU 228 N -0.01 0.00 -5.44 1.92 4.11 -1.93 -3.44 114.58 109.79 3g5a h GLU 228 Ca -0.29 0.00 -0.60 0.00 0.07 0.00 0.00 59.36 58.54 3g5a h GLU 228 Cb 2.01 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 31.15 3g5a h GLU 228 CO 0.18 0.25 -0.22 0.99 0.07 0.00 0.00 179.01 180.28 3g5a s THR 229 N -3.06 5.22 0.24 -1.06 2.01 -0.89 -0.20 115.64 117.90 3g5a s THR 229 Ca 0.00 0.69 0.10 0.00 0.31 0.00 0.00 61.69 62.79 3g5a s THR 229 Cb 0.08 -3.72 -0.05 0.00 0.01 0.00 0.00 72.50 68.83 3g5a s THR 229 CO 0.78 0.28 -0.18 -0.76 -0.69 0.00 0.00 174.62 174.05 3g5a s LEU 230 N 1.15 2.57 0.69 4.42 1.43 -0.23 -4.94 118.68 123.77 3g5a s LEU 230 Ca 0.19 -1.02 -0.17 0.00 -1.03 0.00 0.00 54.13 52.10 3g5a s LEU 230 Cb -0.14 -0.91 -0.02 0.00 0.03 0.00 0.00 46.19 45.15 3g5a s LEU 230 CO 0.07 -0.05 0.90 -2.65 0.23 0.00 0.00 176.35 174.85 3g5a n PRO 231 N -0.48 0.58 -2.34 1.29 -0.02 -1.26 -4.45 135.00 128.32 3g5a n PRO 231 Ca -0.07 0.25 -0.42 0.00 -2.02 0.00 0.00 63.50 61.24 3g5a n PRO 231 Cb 0.60 -2.15 -0.03 0.00 -0.02 0.00 0.00 33.50 31.91 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 -1.51 6.94 0.59 2.55 3.84 0.37 -4.59 114.94 123.14 3g5a s ASN 232 Ca 0.73 1.93 0.33 0.00 0.21 0.00 0.00 52.86 56.06 3g5a s ASN 232 Cb -0.37 -2.56 1.88 0.00 -0.55 0.00 0.00 41.25 39.66 3g5a s ASN 232 CO 0.50 -0.67 2.24 1.55 -2.79 0.00 0.00 177.10 177.93 3g5a h PRO 233 N 7.77 0.00 0.00 0.43 0.13 -1.89 0.63 132.00 139.06 3g5a h PRO 233 Ca -0.35 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.78 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 0.90 0.02 0.00 0.72 -0.23 0.00 0.00 178.00 179.42 3g5a n HIS 234 N -3.63 0.00 0.01 1.56 8.25 -1.26 -2.54 115.22 117.61 3g5a n HIS 234 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 3g5a n HIS 234 Cb 0.11 -0.36 0.17 0.00 1.12 0.00 0.00 29.99 31.04 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 -1.36 3.03 -4.71 2.41 4.77 0.21 -4.98 117.00 116.37 3g5a n LEU 235 Ca 0.09 -1.71 -0.42 0.00 -0.03 0.00 0.00 56.01 53.93 3g5a n LEU 235 Cb 0.20 -0.23 -0.03 0.00 -2.33 0.00 0.00 43.42 41.03 3g5a n LEU 235 CO 0.18 0.71 1.02 -0.60 -1.33 0.00 0.00 177.39 177.37 3g5a s ARG 236 N -1.09 4.35 0.17 3.23 3.52 -1.05 -0.89 118.95 127.19 3g5a s ARG 236 Ca 0.29 1.95 -0.30 0.00 -0.13 0.00 0.00 55.73 57.54 3g5a s ARG 236 Cb 0.16 -3.35 -0.07 0.00 -1.56 0.00 0.00 34.95 30.13 3g5a s ARG 236 CO 0.22 -0.41 1.07 0.15 -0.81 0.00 0.00 175.30 175.51 3g5a s LYS 237 N 1.37 4.63 0.12 5.12 1.02 0.07 -4.91 119.74 127.15 3g5a s LYS 237 Ca 0.62 1.66 -0.14 0.00 0.02 0.00 0.00 55.97 58.13 3g5a s LYS 237 Cb -0.33 -3.30 0.02 0.00 -0.52 0.00 0.00 37.83 33.71 3g5a s LYS 237 CO 0.29 0.13 0.35 0.16 -0.92 0.00 0.00 175.35 175.36 3g5a s ASP 238 N -0.15 -0.14 0.42 2.83 -4.77 -1.26 -4.68 116.67 108.92 3g5a s ASP 238 Ca 0.48 -0.43 0.28 0.00 -3.30 0.00 0.00 52.55 49.59 3g5a s ASP 238 Cb -0.28 0.44 0.96 0.00 -1.09 0.00 0.00 42.92 42.96 3g5a s ASP 238 CO 0.34 -0.83 1.81 0.11 0.70 0.00 0.00 175.17 177.29 3g5a h LYS 239 N 2.46 0.00 -0.00 2.11 1.57 -2.02 -3.30 116.57 117.37 3g5a h LYS 239 Ca -0.34 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.44 3g5a h LYS 239 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.55 3g5a h LYS 239 CO 0.49 0.00 -0.35 0.09 -0.57 0.00 0.00 179.45 179.11 3g5a n ASN 240 N -2.82 0.80 -4.82 0.86 5.03 -1.26 -4.95 115.26 108.11 3g5a n ASN 240 Ca 0.02 -0.90 -0.34 0.00 0.87 0.00 0.00 54.58 54.23 3g5a n ASN 240 Cb 0.36 0.76 -0.07 0.00 -1.02 0.00 0.00 39.78 39.82 3g5a n ASN 240 CO 0.00 0.00 0.00 -0.44 -1.83 0.00 0.00 177.26 174.99 3g5a s SER 241 N -1.68 6.95 0.10 6.41 0.01 -1.25 -5.03 113.70 119.21 3g5a s SER 241 Ca 0.06 1.54 -0.31 0.00 1.31 0.00 0.00 55.95 58.55 3g5a s SER 241 Cb 0.08 -2.48 -0.10 0.00 0.21 0.00 0.00 66.02 63.74 3g5a s SER 241 CO 0.34 -0.22 1.81 -0.89 0.41 0.00 0.00 173.24 174.69 3g5a s THR 242 N -1.96 2.72 0.65 1.44 2.01 -1.26 -4.91 115.64 114.33 3g5a s THR 242 Ca 0.56 0.14 -0.17 0.00 0.31 0.00 0.00 61.69 62.52 3g5a s THR 242 Cb -0.12 -3.09 -0.01 0.00 0.01 0.00 0.00 72.50 69.30 3g5a s THR 242 CO 0.17 -0.00 1.22 -2.84 -0.69 0.00 0.00 174.62 172.48 3g5a s PRO 243 N 3.01 2.61 0.33 4.92 0.02 -1.26 -4.99 135.00 139.65 3g5a s PRO 243 Ca 0.81 1.84 -0.17 0.00 0.02 0.00 0.00 61.00 63.49 3g5a s PRO 243 Cb -0.44 -1.88 -0.09 0.00 0.02 0.00 0.00 34.50 32.11 3g5a s PRO 243 CO 0.36 -1.49 0.79 -0.51 -0.33 0.00 0.00 177.00 175.82 3g5a s LEU 244 N -4.51 4.09 -0.03 -5.54 1.43 -1.26 -5.07 118.68 107.78 3g5a s LEU 244 Ca 0.77 1.41 -0.01 0.00 -1.03 0.00 0.00 54.13 55.28 3g5a s LEU 244 Cb -0.31 -4.11 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 3g5a s LEU 244 CO 0.39 -0.20 0.03 -0.54 0.23 0.00 0.00 176.35 176.26 3g5a s LYS 245 N -2.84 2.96 -0.06 1.70 1.02 -1.26 -5.10 119.74 116.16 3g5a s LYS 245 Ca 0.54 -0.49 -0.21 0.00 0.02 0.00 0.00 55.97 55.83 3g5a s LYS 245 Cb -0.11 -2.79 -0.04 0.00 -0.52 0.00 0.00 37.83 34.37 3g5a s LYS 245 CO 0.17 0.66 0.60 -1.17 -0.92 0.00 0.00 175.35 174.70 3g5a s LEU 246 N -1.38 4.34 0.00 3.17 2.96 -1.26 -4.94 118.68 121.57 3g5a s LEU 246 Ca 0.18 1.07 0.26 0.00 -0.22 0.00 0.00 54.13 55.42 3g5a s LEU 246 Cb -0.12 -2.91 0.64 0.00 0.50 0.00 0.00 46.19 44.29 3g5a s LEU 246 CO 0.09 -0.01 1.49 0.59 -1.32 0.00 0.00 176.35 177.19 3g5a n ASN 247 N 3.42 0.86 -0.67 3.68 3.02 -1.26 -4.46 115.26 119.84 3g5a n ASN 247 Ca -0.05 -0.68 0.06 0.00 -0.03 0.00 0.00 54.58 53.88 3g5a n ASN 247 Cb 0.51 0.20 0.17 0.00 -0.61 0.00 0.00 39.78 40.05 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 -0.95 0.00 -0.17 3.10 3.72 -1.26 -4.79 117.46 117.11 3g5a n PHE 248 Ca 0.10 -1.24 -0.08 0.00 -0.05 0.00 0.00 57.45 56.17 3g5a n PHE 248 Cb 0.35 -0.22 0.01 0.00 -0.94 0.00 0.00 39.48 38.68 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 0.84 0.75 -0.03 -1.08 5.08 -2.01 -2.32 114.58 115.81 3g5a h GLU 249 Ca -0.04 -0.15 0.01 0.00 -1.00 0.00 0.00 59.36 58.19 3g5a h GLU 249 Cb 1.15 -0.12 -0.01 0.00 0.50 0.00 0.00 28.75 30.28 3g5a h GLU 249 CO 0.02 0.68 -0.03 2.35 -1.00 0.00 0.00 179.01 181.03 3g5a h TRP 250 N 0.66 -0.07 -0.87 4.33 7.01 -1.96 -1.45 115.95 123.59 3g5a h TRP 250 Ca 0.16 0.00 0.06 0.00 2.11 0.00 0.00 58.89 61.23 3g5a h TRP 250 Cb 0.23 0.04 -0.06 0.00 -2.10 0.00 0.00 29.16 27.26 3g5a h TRP 250 CO 0.01 -0.05 0.54 0.93 -2.79 0.00 0.00 178.44 177.08 3g5a h GLU 251 N -0.04 0.96 0.21 2.65 3.07 -1.87 0.27 114.58 119.83 3g5a h GLU 251 Ca 0.02 -0.06 -0.01 0.00 -0.50 0.00 0.00 59.36 58.81 3g5a h GLU 251 Cb 0.07 -0.22 0.00 0.00 -0.84 0.00 0.00 28.75 27.77 3g5a h GLU 251 CO -0.05 0.63 -0.10 0.82 -1.40 0.00 0.00 179.01 178.91 3g5a h ILE 252 N 0.99 0.87 -0.82 3.13 2.04 -1.32 -0.61 117.51 121.79 3g5a h ILE 252 Ca 0.38 -0.50 0.01 0.00 1.00 0.00 0.00 64.86 65.75 3g5a h ILE 252 Cb 0.18 1.16 -0.04 0.00 -0.74 0.00 0.00 36.82 37.37 3g5a h ILE 252 CO -0.18 0.11 0.53 -0.33 0.00 0.00 0.00 178.15 178.29 3g5a h GLU 253 N -0.54 1.08 -0.51 2.37 5.08 -1.00 -2.94 114.58 118.13 3g5a h GLU 253 Ca -0.03 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.26 3g5a h GLU 253 Cb 0.40 -0.24 0.00 0.00 0.50 0.00 0.00 28.75 29.41 3g5a h GLU 253 CO 0.05 0.73 0.00 0.09 -1.00 0.00 0.00 179.01 178.87 3g5a n ASN 254 N -4.40 5.04 -4.56 1.42 4.13 0.92 -5.02 115.26 112.78 3g5a n ASN 254 Ca 0.09 -2.84 -0.34 0.00 1.68 0.00 0.00 54.58 53.17 3g5a n ASN 254 Cb 0.03 -0.62 0.11 0.00 -1.54 0.00 0.00 39.78 37.76 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 0.44 0.12 -2.00 3.52 1.85 -0.24 -4.78 116.66 115.57 3g5a n ARG 255 Ca 0.25 0.10 -0.42 0.00 -1.00 0.00 0.00 57.85 56.78 3g5a n ARG 255 Cb 1.05 -2.12 -0.03 0.00 -1.05 0.00 0.00 32.46 30.31 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 -2.11 1.99 0.47 2.89 5.04 0.29 -4.93 117.35 120.99 3g5a s TYR 256 Ca 0.67 0.19 -0.21 0.00 -2.44 0.00 0.00 57.07 55.28 3g5a s TYR 256 Cb -0.29 -3.92 -0.08 0.00 0.35 0.00 0.00 41.96 38.02 3g5a s TYR 256 CO 0.57 -3.86 1.06 0.15 -1.34 0.00 0.00 175.55 172.12 3g5a s LYS 257 N 3.99 3.83 0.30 4.97 1.02 -1.26 -4.63 119.74 127.96 3g5a s LYS 257 Ca 0.73 1.46 0.08 0.00 0.02 0.00 0.00 55.97 58.27 3g5a s LYS 257 Cb -0.34 -2.21 -0.04 0.00 -0.52 0.00 0.00 37.83 34.73 3g5a s LYS 257 CO 0.30 -0.43 0.13 -1.01 -0.92 0.00 0.00 175.35 173.42 3g5a s HIS 258 N -1.85 2.81 0.00 3.18 3.76 -1.26 -5.08 115.29 116.85 3g5a s HIS 258 Ca 0.66 -0.27 0.00 0.00 -0.15 0.00 0.00 55.06 55.30 3g5a s HIS 258 Cb -0.19 -1.48 0.00 0.00 1.11 0.00 0.00 32.58 32.01 3g5a s HIS 258 CO 0.24 0.44 0.00 0.27 -0.85 0.00 0.00 174.74 174.83 3g5a n ASN 259 N -1.11 1.44 0.01 1.40 0.23 -1.26 -4.88 115.26 111.09 3g5a n ASN 259 Ca -0.05 0.00 -0.09 0.00 -0.53 0.00 0.00 54.58 53.91 3g5a n ASN 259 Cb 0.60 0.00 0.07 0.00 -2.08 0.00 0.00 39.78 38.36 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 0.52 -0.19 -3.83 4.39 -2.01 -1.20 114.58 112.26 3g5a h GLU 260 Ca 0.00 -0.33 -0.03 0.00 0.34 0.00 0.00 59.36 59.34 3g5a h GLU 260 Cb 0.00 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 28.68 3g5a h GLU 260 CO 0.00 0.93 -0.02 0.28 -1.16 0.00 0.00 179.01 179.04 3g5a h VAL 261 N 0.40 1.27 -0.02 3.13 2.07 -1.96 0.33 116.25 121.47 3g5a h VAL 261 Ca 0.01 -0.93 0.00 0.00 0.82 0.00 0.00 66.70 66.60 3g5a h VAL 261 Cb 1.09 1.50 0.00 0.00 -1.52 0.00 0.00 31.29 32.36 3g5a h VAL 261 CO 0.10 0.28 -0.37 0.35 0.02 0.00 0.00 177.57 177.95 3g5a n THR 262 N -4.68 0.00 -1.56 2.57 -2.24 -1.17 -4.52 114.28 102.68 3g5a n THR 262 Ca -0.05 -0.31 -0.47 0.00 -2.27 0.00 0.00 64.05 60.95 3g5a n THR 262 Cb 0.24 1.29 -0.03 0.00 -2.10 0.00 0.00 70.33 69.73 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 0.27 1.06 -4.13 -0.78 4.81 -0.46 -4.80 118.16 114.13 3g5a n LYS 263 Ca 0.10 0.37 -0.16 0.00 -0.87 0.00 0.00 58.31 57.76 3g5a n LYS 263 Cb 0.50 -1.75 -0.12 0.00 0.02 0.00 0.00 35.03 33.68 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 -0.67 0.92 0.28 3.14 0.00 -1.26 -4.59 121.76 119.58 3g5a s ALA 264 Ca 0.66 -0.93 0.12 0.00 0.00 0.00 0.00 51.96 51.81 3g5a s ALA 264 Cb -0.81 -0.02 -0.05 0.00 0.00 0.00 0.00 23.12 22.24 3g5a s ALA 264 CO 0.56 0.06 -0.19 -1.21 0.00 0.00 0.00 175.76 174.99 3g5a s GLU 265 N -1.82 1.72 0.39 0.00 2.02 -1.26 -5.03 118.70 114.71 3g5a s GLU 265 Ca -0.04 -1.75 -0.07 0.00 0.02 0.00 0.00 54.97 53.14 3g5a s GLU 265 Cb -0.09 -1.80 -0.05 0.00 0.10 0.00 0.00 34.13 32.29 3g5a s GLU 265 CO 0.01 0.33 0.69 -1.25 0.02 0.00 0.00 175.26 175.07 3g5a s PRO 266 N -3.52 3.65 -0.02 0.39 0.04 -1.26 -4.91 135.00 129.38 3g5a s PRO 266 Ca 0.30 0.20 0.05 0.00 0.04 0.00 0.00 61.00 61.59 3g5a s PRO 266 Cb -0.05 -2.48 -0.01 0.00 0.04 0.00 0.00 34.50 32.00 3g5a s PRO 266 CO 0.15 0.01 -0.16 -1.50 0.04 0.00 0.00 177.00 175.54 3g5a s ILE 267 N -2.38 1.32 0.90 0.56 1.10 -1.26 -5.15 121.20 116.29 3g5a s ILE 267 Ca 0.47 -0.69 -0.13 0.00 -0.51 0.00 0.00 60.65 59.79 3g5a s ILE 267 Cb -0.10 -1.11 0.14 0.00 0.15 0.00 0.00 42.46 41.54 3g5a s ILE 267 CO 0.35 0.38 1.18 -2.84 -2.11 0.00 0.00 174.94 171.89 3g5a s PRO 268 N -0.24 1.18 1.04 3.50 0.02 -1.26 -4.80 135.00 134.45 3g5a s PRO 268 Ca 0.03 0.09 -0.12 0.00 0.02 0.00 0.00 61.00 61.02 3g5a s PRO 268 Cb -0.08 -1.86 0.21 0.00 0.02 0.00 0.00 34.50 32.79 3g5a s PRO 268 CO 0.00 -2.13 1.08 0.96 -0.33 0.00 0.00 177.00 176.58 3g5a s ILE 269 N -3.46 2.06 0.48 2.83 -4.36 -1.26 -4.93 121.20 112.56 3g5a s ILE 269 Ca 0.65 0.02 -0.23 0.00 -0.26 0.00 0.00 60.65 60.83 3g5a s ILE 269 Cb -0.11 -2.41 -0.08 0.00 1.25 0.00 0.00 42.46 41.11 3g5a s ILE 269 CO 0.52 -0.02 1.26 0.00 0.24 0.00 0.00 174.94 176.94 3g5a n ALA 270 N -4.36 1.25 -0.29 2.27 0.00 -1.26 -4.87 120.51 113.25 3g5a n ALA 270 Ca 0.05 0.19 0.09 0.00 0.00 0.00 0.00 53.44 53.77 3g5a n ALA 270 Cb 0.57 -2.28 0.25 0.00 0.00 0.00 0.00 19.45 17.99 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 1.68 0.38 0.61 0.00 3.32 -2.00 -2.03 116.42 118.39 3g5a h ASP 271 Ca -0.49 0.12 -0.06 0.00 0.02 0.00 0.00 57.03 56.62 3g5a h ASP 271 Cb 1.31 0.08 -0.01 0.00 0.22 0.00 0.00 39.33 40.93 3g5a h ASP 271 CO 0.58 0.10 -0.28 1.05 -1.72 0.00 0.00 179.24 178.96 3g5a h GLU 272 N 0.48 0.00 0.09 3.56 4.11 -2.01 -2.33 114.58 118.49 3g5a h GLU 272 Ca 0.49 0.00 -0.27 0.00 0.07 0.00 0.00 59.36 59.65 3g5a h GLU 272 Cb 0.82 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.09 3g5a h GLU 272 CO -0.45 0.28 -1.16 -0.44 0.07 0.00 0.00 179.01 177.32 3g5a h ASP 273 N 0.00 0.67 -0.59 3.06 3.32 -1.76 -3.13 116.42 118.00 3g5a h ASP 273 Ca -0.00 -0.62 0.08 0.00 0.02 0.00 0.00 57.03 56.50 3g5a h ASP 273 Cb 0.67 -0.21 -0.06 0.00 0.22 0.00 0.00 39.33 39.94 3g5a h ASP 273 CO 0.04 1.44 0.26 0.25 -1.72 0.00 0.00 179.24 179.51 3g5a h LEU 274 N 0.22 0.32 -0.45 1.55 5.85 -1.05 -1.57 115.31 120.19 3g5a h LEU 274 Ca -0.15 0.06 0.08 0.00 0.84 0.00 0.00 57.88 58.71 3g5a h LEU 274 Cb 1.84 0.01 -0.06 0.00 0.37 0.00 0.00 40.66 42.81 3g5a h LEU 274 CO 0.21 0.20 0.07 0.58 -0.34 0.00 0.00 178.44 179.16 3g5a h VAL 275 N 0.48 0.74 -0.05 1.05 2.07 -1.49 0.89 116.25 119.94 3g5a h VAL 275 Ca 0.29 -0.07 -0.07 0.00 0.82 0.00 0.00 66.70 67.66 3g5a h VAL 275 Cb 0.29 0.52 -0.01 0.00 -1.52 0.00 0.00 31.29 30.57 3g5a h VAL 275 CO -0.25 0.04 -0.31 0.11 0.02 0.00 0.00 177.57 177.18 3g5a h LYS 276 N 0.20 0.10 -0.08 1.57 1.57 -1.40 -1.16 116.57 117.36 3g5a h LYS 276 Ca 0.22 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.79 3g5a h LYS 276 Cb 0.29 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.60 3g5a h LYS 276 CO -0.31 0.40 -0.63 0.82 -0.57 0.00 0.00 179.45 179.17 3g5a h ILE 277 N 0.09 1.35 -0.17 1.86 2.04 -0.33 -3.28 117.51 119.06 3g5a h ILE 277 Ca 0.01 -1.95 0.03 0.00 1.00 0.00 0.00 64.86 63.96 3g5a h ILE 277 Cb 0.60 2.25 -0.03 0.00 -0.74 0.00 0.00 36.82 38.90 3g5a h ILE 277 CO 0.04 0.59 -0.01 -0.33 0.00 0.00 0.00 178.15 178.44 3g5a h GLU 278 N 0.18 0.04 -0.23 2.37 5.08 -0.73 -2.96 114.58 118.32 3g5a h GLU 278 Ca -0.06 -0.00 0.07 0.00 -1.00 0.00 0.00 59.36 58.37 3g5a h GLU 278 Cb 1.29 -0.01 -0.01 0.00 0.50 0.00 0.00 28.75 30.52 3g5a h GLU 278 CO 0.13 0.02 0.75 -0.91 -1.00 0.00 0.00 179.01 178.00 3g5a h ASN 279 N 0.04 0.00 0.73 1.42 2.35 -1.27 -2.45 115.58 116.40 3g5a h ASN 279 Ca 0.08 0.00 -0.08 0.00 -0.55 0.00 0.00 56.30 55.76 3g5a h ASN 279 Cb 0.11 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 38.47 3g5a h ASN 279 CO -0.15 0.00 -0.37 -0.07 -1.65 0.00 0.00 177.43 175.19 3g5a h LEU 280 N 0.00 0.00 2.41 1.61 3.38 -1.59 -3.47 115.31 117.65 3g5a h LEU 280 Ca 0.11 0.00 -0.33 0.00 0.09 0.00 0.00 57.88 57.75 3g5a h LEU 280 Cb 1.61 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 42.32 3g5a h LEU 280 CO -0.00 0.37 -0.40 1.41 0.09 0.00 0.00 178.44 179.91 3g5a n HIS 281 N -3.63 -1.01 -4.00 1.13 8.25 -0.92 -4.96 115.22 110.08 3g5a n HIS 281 Ca -0.01 0.00 -0.09 0.00 -0.26 0.00 0.00 57.72 57.37 3g5a n HIS 281 Cb 0.48 -3.27 -0.10 0.00 1.12 0.00 0.00 29.99 28.22 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 -4.69 0.45 0.22 -0.41 0.41 -1.26 -5.17 118.70 108.25 3g5a s GLU 282 Ca 0.00 -0.81 0.11 0.00 -0.41 0.00 0.00 54.97 53.87 3g5a s GLU 282 Cb 0.00 0.16 -0.05 0.00 -1.78 0.00 0.00 34.13 32.46 3g5a s GLU 282 CO 0.00 -0.08 -0.22 0.34 -0.49 0.00 0.00 175.26 174.81 3g5a s ASP 283 N -2.00 3.40 0.03 -0.19 2.15 -1.26 -4.98 116.67 113.83 3g5a s ASP 283 Ca -0.07 -0.94 0.03 0.00 0.43 0.00 0.00 52.55 52.00 3g5a s ASP 283 Cb -0.03 -0.26 -0.02 0.00 -0.30 0.00 0.00 42.92 42.31 3g5a s ASP 283 CO -0.04 0.07 -0.09 -0.31 -0.17 0.00 0.00 175.17 174.63 3g5a s TYR 284 N -2.07 0.74 0.62 -5.34 2.02 -1.26 -0.76 117.35 111.31 3g5a s TYR 284 Ca 0.24 -0.39 -0.17 0.00 -0.37 0.00 0.00 57.07 56.38 3g5a s TYR 284 Cb -0.06 -0.45 -0.02 0.00 -0.40 0.00 0.00 41.96 41.03 3g5a s TYR 284 CO 0.11 -0.04 1.17 0.71 -1.57 0.00 0.00 175.55 175.93 3g5a s TYR 285 N -1.04 2.44 0.98 2.71 2.02 -0.07 -4.64 117.35 119.75 3g5a s TYR 285 Ca -0.05 1.54 -0.11 0.00 -0.37 0.00 0.00 57.07 58.08 3g5a s TYR 285 Cb -0.08 -3.37 0.18 0.00 -0.40 0.00 0.00 41.96 38.29 3g5a s TYR 285 CO 0.01 -2.04 1.09 -1.25 -1.57 0.00 0.00 175.55 171.79 3g5a s PRO 286 N -3.60 0.54 0.33 -1.71 0.04 -1.26 -3.52 135.00 125.82 3g5a s PRO 286 Ca 0.73 1.10 0.07 0.00 0.04 0.00 0.00 61.00 62.94 3g5a s PRO 286 Cb -0.27 -1.70 0.74 0.00 0.04 0.00 0.00 34.50 33.31 3g5a s PRO 286 CO 0.36 -2.81 1.85 0.78 0.04 0.00 0.00 177.00 177.22 3g5a h GLY 287 N -1.98 1.36 1.24 0.56 0.00 -1.07 -1.63 103.07 101.54 3g5a h GLY 287 Ca -0.51 -0.34 0.00 0.00 0.00 0.00 0.00 47.33 46.49 3g5a h GLY 287 CO 0.49 0.10 0.00 -2.67 0.00 0.00 0.00 176.54 174.45 3g5a n TRP 288 N -4.59 0.00 1.45 5.60 2.14 -1.26 -0.90 117.44 119.87 3g5a n TRP 288 Ca 0.18 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.90 3g5a n TRP 288 Cb 0.45 -0.12 0.67 0.00 -0.81 0.00 0.00 31.31 31.50 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 -1.12 0.00 -3.70 -2.67 4.02 -0.61 -4.67 117.16 108.40 3g5a n TYR 289 Ca 0.04 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.56 3g5a n TYR 289 Cb 0.03 -0.20 -0.12 0.00 -0.02 0.00 0.00 39.34 39.03 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 -2.47 3.67 0.00 7.72 2.96 -0.08 -4.93 118.68 125.55 3g5a s LEU 290 Ca 0.30 -0.12 0.00 0.00 -0.22 0.00 0.00 54.13 54.09 3g5a s LEU 290 Cb 0.20 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3g5a s LEU 290 CO 0.46 -0.03 0.76 1.33 -1.32 0.00 0.00 176.35 177.55 3g5a n VAL 291 N 4.93 0.57 -3.49 1.68 0.24 -1.26 -4.77 118.33 116.23 3g5a n VAL 291 Ca -0.15 -0.71 -0.42 0.00 -2.04 0.00 0.00 64.34 61.01 3g5a n VAL 291 Cb 0.52 0.76 -0.10 0.00 -1.47 0.00 0.00 33.84 33.55 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 -0.57 5.97 0.45 -1.34 -1.08 -1.26 -4.31 116.67 114.53 3g5a s ASP 292 Ca 0.00 -1.11 0.16 0.00 -0.52 0.00 0.00 52.55 51.08 3g5a s ASP 292 Cb 0.00 -2.11 1.09 0.00 -1.46 0.00 0.00 42.92 40.44 3g5a s ASP 292 CO 0.00 -0.49 1.98 0.44 0.52 0.00 0.00 175.17 177.61 3g5a h ASP 293 N 8.58 0.31 0.29 -0.34 3.32 -1.99 -1.30 116.42 125.29 3g5a h ASP 293 Ca -0.26 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3g5a h ASP 293 Cb 1.11 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 40.60 3g5a h ASP 293 CO 0.75 0.18 0.00 0.11 -1.72 0.00 0.00 179.24 178.57 3g5a h LYS 294 N 0.34 0.00 -0.20 3.56 1.57 -1.95 -2.72 116.57 117.18 3g5a h LYS 294 Ca 0.28 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.06 3g5a h LYS 294 Cb 0.63 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.94 3g5a h LYS 294 CO -0.07 0.00 0.00 1.28 -0.57 0.00 0.00 179.45 180.09 3g5a n LEU 295 N -2.83 2.50 -0.08 2.94 4.77 -0.49 -4.65 117.00 119.15 3g5a n LEU 295 Ca -0.01 -1.53 -0.00 0.00 -0.03 0.00 0.00 56.01 54.43 3g5a n LEU 295 Cb 0.13 -0.13 0.27 0.00 -2.33 0.00 0.00 43.42 41.36 3g5a n LEU 295 CO 0.19 0.57 1.02 -0.08 -1.33 0.00 0.00 177.39 177.76 3g5a h GLU 296 N 2.19 0.70 -0.64 3.23 4.81 -1.48 -2.02 114.58 121.36 3g5a h GLU 296 Ca 0.00 -0.11 0.00 0.00 -0.13 0.00 0.00 59.36 59.12 3g5a h GLU 296 Cb 0.62 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 29.88 3g5a h GLU 296 CO 0.00 0.61 0.00 0.54 -0.73 0.00 0.00 179.01 179.43 3g5a n ARG 297 N -4.32 3.93 0.29 1.92 1.74 -1.26 -3.77 116.66 115.17 3g5a n ARG 297 Ca 0.03 -2.73 0.14 0.00 -0.77 0.00 0.00 57.85 54.52 3g5a n ARG 297 Cb 0.18 -1.99 0.85 0.00 -1.02 0.00 0.00 32.46 30.49 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 3.96 1.57 -1.74 7.54 0.00 -1.68 -3.36 119.26 125.55 3g5a h ALA 298 Ca 0.00 -0.02 -0.75 0.00 0.00 0.00 0.00 54.91 54.15 3g5a h ALA 298 Cb 1.55 -0.00 -0.19 0.00 0.00 0.00 0.00 17.79 19.15 3g5a h ALA 298 CO 0.31 0.02 1.29 0.41 0.00 0.00 0.00 179.25 181.28 3g5a n GLY 299 N -1.28 3.62 2.98 0.00 0.00 -1.26 -4.66 105.19 104.58 3g5a n GLY 299 Ca -0.03 -2.10 -0.12 0.00 0.00 0.00 0.00 46.02 43.77 3g5a n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g5a s ARG 300 N 1.04 0.12 0.22 1.61 1.81 -1.26 -1.07 118.95 121.42 3g5a s ARG 300 Ca 0.41 0.15 -0.32 0.00 -1.72 0.00 0.00 55.73 54.26 3g5a s ARG 300 Cb -0.03 0.05 -0.13 0.00 -0.45 0.00 0.00 34.95 34.39 3g5a s ARG 300 CO -0.01 -0.02 1.49 -0.89 -0.68 0.00 0.00 175.30 175.20 3g5a n ILE 301 N 3.08 0.65 -1.95 1.52 2.08 0.72 -4.92 119.36 120.53 3g5a n ILE 301 Ca -0.13 -0.16 -0.42 0.00 0.56 0.00 0.00 62.75 62.60 3g5a n ILE 301 Cb 0.59 -1.58 -0.03 0.00 -0.75 0.00 0.00 39.64 37.87 3g5a n ILE 301 CO 0.00 0.00 0.00 -0.75 0.56 0.00 0.00 176.55 176.36 3g5a s LYS 302 N 0.01 4.22 0.21 0.38 2.20 -1.26 -5.02 119.74 120.48 3g5a s LYS 302 Ca 0.71 2.33 0.08 0.00 -0.36 0.00 0.00 55.97 58.73 3g5a s LYS 302 Cb -0.63 -3.26 -0.05 0.00 -1.51 0.00 0.00 37.83 32.38 3g5a s LYS 302 CO 0.45 -0.62 -0.14 0.15 -0.36 0.00 0.00 175.35 174.83 3g5a s LYS 303 N 1.47 1.34 0.00 4.03 -0.14 -1.26 -5.21 119.74 119.96 3g5a s LYS 303 Ca 0.70 -1.59 0.00 0.00 -1.36 0.00 0.00 55.97 53.72 3g5a s LYS 303 Cb -0.42 -1.13 0.00 0.00 -1.68 0.00 0.00 37.83 34.60 3g5a s LYS 303 CO 0.31 0.19 0.00 1.63 -0.76 0.00 0.00 175.35 176.72