#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g6k h ALA -2 N 0.00 0.98 -2.84 4.61 0.00 -1.97 -3.46 119.26 116.58 3g6k h ALA -2 Ca 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.57 3g6k h ALA -2 Cb 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 17.79 17.61 3g6k h ALA -2 CO 0.00 0.00 -0.74 -1.64 0.00 0.00 0.00 179.25 176.87 3g6k s MET -1 N -3.15 0.86 0.41 0.00 1.00 -1.26 -5.12 119.30 112.05 3g6k s MET -1 Ca 0.09 -1.14 -0.26 0.00 0.00 0.00 0.00 55.69 54.39 3g6k s MET -1 Cb 0.10 -0.61 -0.08 0.00 0.00 0.00 0.00 34.83 34.23 3g6k s MET -1 CO 0.63 0.10 1.30 0.54 0.00 0.00 0.00 175.02 177.59 3g6k s VAL 0 N -2.24 2.62 0.31 -6.03 0.11 -1.26 -4.96 120.40 108.94 3g6k s VAL 0 Ca 0.05 0.54 -0.28 0.00 -2.93 0.00 0.00 61.98 59.36 3g6k s VAL 0 Cb -0.04 -3.32 -0.13 0.00 -1.53 0.00 0.00 36.38 31.36 3g6k s VAL 0 CO 0.01 0.07 1.20 0.23 -3.33 0.00 0.00 175.10 173.28 3g6k n MET 1 N 0.05 1.83 -1.68 1.54 0.00 -1.26 -5.01 117.12 112.58 3g6k n MET 1 Ca 0.04 0.64 -0.30 0.00 0.00 0.00 0.00 57.70 58.08 3g6k n MET 1 Cb 0.44 -2.16 0.07 0.00 0.00 0.00 0.00 33.22 31.57 3g6k n MET 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 175.97 177.00 3g6k s ARG 2 N -1.59 2.54 0.27 0.03 0.52 -1.26 -4.70 118.95 114.75 3g6k s ARG 2 Ca 0.58 0.63 -0.04 0.00 -0.52 0.00 0.00 55.73 56.38 3g6k s ARG 2 Cb -0.63 -1.97 0.36 0.00 0.52 0.00 0.00 34.95 33.23 3g6k s ARG 2 CO 0.60 -1.30 1.92 1.25 0.02 0.00 0.00 175.30 177.79 3g6k h LEU 3 N -0.85 1.07 -1.12 2.53 5.85 -1.88 -0.41 115.31 120.49 3g6k h LEU 3 Ca -0.46 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 58.29 3g6k h LEU 3 Cb 1.25 -0.25 -0.05 0.00 0.37 0.00 0.00 40.66 41.98 3g6k h LEU 3 CO 0.61 0.74 0.60 1.23 -0.34 0.00 0.00 178.44 181.27 3g6k h GLY 4 N 1.24 1.31 0.97 3.75 0.00 -1.92 0.21 103.07 108.63 3g6k h GLY 4 Ca 0.38 -0.45 -0.07 0.00 0.00 0.00 0.00 47.33 47.20 3g6k h GLY 4 CO -0.11 0.38 0.03 -0.55 0.00 0.00 0.00 176.54 176.28 3g6k h ASP 5 N 1.13 0.75 -0.45 0.19 3.32 -1.48 -0.72 116.42 119.16 3g6k h ASP 5 Ca 0.36 -0.29 -0.05 0.00 0.02 0.00 0.00 57.03 57.07 3g6k h ASP 5 Cb 0.04 -0.20 -0.02 0.00 0.22 0.00 0.00 39.33 39.37 3g6k h ASP 5 CO -0.11 0.86 0.08 0.00 -1.72 0.00 0.00 179.24 178.35 3g6k h ALA 6 N 0.92 0.60 -0.33 3.45 0.00 -0.69 -0.48 119.26 122.73 3g6k h ALA 6 Ca 0.13 -0.22 -0.01 0.00 0.00 0.00 0.00 54.91 54.81 3g6k h ALA 6 Cb 0.46 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 3g6k h ALA 6 CO 0.02 0.31 0.17 0.00 0.00 0.00 0.00 179.25 179.75 3g6k h ALA 7 N 0.96 0.43 -0.65 0.00 0.00 -0.86 -0.86 119.26 118.27 3g6k h ALA 7 Ca 0.14 -0.09 -0.00 0.00 0.00 0.00 0.00 54.91 54.96 3g6k h ALA 7 Cb 0.36 -0.13 -0.03 0.00 0.00 0.00 0.00 17.79 17.99 3g6k h ALA 7 CO 0.01 -0.03 0.40 1.49 0.00 0.00 0.00 179.25 181.12 3g6k h GLU 8 N 0.41 0.88 -0.42 0.00 4.81 -1.02 -0.61 114.58 118.62 3g6k h GLU 8 Ca 0.12 -0.08 0.05 0.00 -0.13 0.00 0.00 59.36 59.32 3g6k h GLU 8 Cb 0.09 -0.19 -0.05 0.00 0.63 0.00 0.00 28.75 29.24 3g6k h GLU 8 CO -0.02 0.62 0.14 1.25 -0.73 0.00 0.00 179.01 180.27 3g6k h LEU 9 N 0.88 0.13 -0.88 1.64 5.85 -0.85 -0.23 115.31 121.86 3g6k h LEU 9 Ca 0.23 0.05 -0.07 0.00 0.84 0.00 0.00 57.88 58.93 3g6k h LEU 9 Cb -0.04 0.04 -0.02 0.00 0.37 0.00 0.00 40.66 41.01 3g6k h LEU 9 CO -0.04 0.11 0.03 0.00 -0.34 0.00 0.00 178.44 178.19 3g6k h TYR 11 N 0.80 1.03 -0.33 0.00 3.20 -0.75 -0.88 116.97 120.04 3g6k h TYR 11 Ca 0.16 -0.10 -0.15 0.00 3.14 0.00 0.00 58.73 61.78 3g6k h TYR 11 Cb 0.44 -0.30 -0.01 0.00 1.54 0.00 0.00 36.73 38.40 3g6k h TYR 11 CO 0.03 0.84 -0.39 -0.91 -1.64 0.00 0.00 178.16 176.08 3g6k h ASN 12 N 0.93 0.85 0.26 -2.11 2.35 -0.50 -0.37 115.58 116.99 3g6k h ASN 12 Ca 0.21 -0.38 -0.16 0.00 -0.55 0.00 0.00 56.30 55.41 3g6k h ASN 12 Cb 0.29 -0.24 -0.01 0.00 0.05 0.00 0.00 38.32 38.41 3g6k h ASN 12 CO -0.01 1.14 -0.62 0.17 -1.65 0.00 0.00 177.43 176.46 3g6k h LEU 13 N 0.65 0.41 -0.47 1.61 8.10 -0.77 -0.60 115.31 124.25 3g6k h LEU 13 Ca 0.05 -0.24 -0.13 0.00 0.11 0.00 0.00 57.88 57.68 3g6k h LEU 13 Cb 0.95 -0.12 -0.01 0.00 -0.44 0.00 0.00 40.66 41.04 3g6k h LEU 13 CO 0.09 0.93 -0.21 0.74 -4.11 0.00 0.00 178.44 175.87 3g6k h THR 14 N 0.26 1.27 -0.77 0.15 2.02 -1.04 -0.27 112.91 114.54 3g6k h THR 14 Ca -0.01 -1.37 -0.05 0.00 0.77 0.00 0.00 66.41 65.75 3g6k h THR 14 Cb 1.15 1.16 -0.03 0.00 -1.74 0.00 0.00 68.15 68.69 3g6k h THR 14 CO 0.10 0.47 0.28 0.28 0.37 0.00 0.00 175.52 177.03 3g6k h SER 15 N 0.82 1.08 -0.47 4.18 0.02 -0.95 -0.69 113.55 117.53 3g6k h SER 15 Ca 0.11 -0.19 -0.03 0.00 -0.84 0.00 0.00 61.79 60.84 3g6k h SER 15 Cb 0.79 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 63.03 3g6k h SER 15 CO 0.07 0.97 0.17 -1.28 -1.14 0.00 0.00 176.83 175.62 3g6k h SER 16 N 1.12 0.66 -0.75 3.07 0.87 -0.86 -1.78 113.55 115.88 3g6k h SER 16 Ca 0.25 -0.18 0.02 0.00 -1.23 0.00 0.00 61.79 60.65 3g6k h SER 16 Cb 0.25 -0.17 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 3g6k h SER 16 CO -0.02 0.67 0.49 0.22 -0.53 0.00 0.00 176.83 177.66 3g6k h TYR 17 N 0.62 0.92 0.00 2.24 3.20 -0.71 -1.64 116.97 121.59 3g6k h TYR 17 Ca 0.16 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 62.05 3g6k h TYR 17 Cb 0.22 -0.30 -0.00 0.00 1.54 0.00 0.00 36.73 38.19 3g6k h TYR 17 CO 0.01 0.55 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.99 3g6k h LEU 18 N 0.97 0.00 -0.56 2.82 3.38 -0.70 -2.12 115.31 119.10 3g6k h LEU 18 Ca 0.29 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.26 3g6k h LEU 18 Cb -0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.71 3g6k h LEU 18 CO -0.09 0.01 -0.18 0.00 0.09 0.00 0.00 178.44 178.27 3g6k n GLN 19 N -3.13 1.01 -1.89 1.13 6.02 -0.63 -4.91 117.38 114.97 3g6k n GLN 19 Ca -0.01 -0.56 -0.41 0.00 -0.01 0.00 0.00 57.00 56.00 3g6k n GLN 19 Cb 0.20 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.96 3g6k n GLN 19 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3g6k s ILE 20 N -2.38 2.38 -0.32 5.09 1.01 -0.80 -4.92 121.20 121.26 3g6k s ILE 20 Ca 0.28 0.31 -0.27 0.00 0.00 0.00 0.00 60.65 60.97 3g6k s ILE 20 Cb 0.20 -3.20 0.01 0.00 0.01 0.00 0.00 42.46 39.48 3g6k s ILE 20 CO 0.47 0.05 0.97 0.00 0.00 0.00 0.00 174.94 176.43 3g6k s ALA 21 N 0.14 3.50 -0.03 9.38 0.00 -1.26 -4.99 121.76 128.50 3g6k s ALA 21 Ca 0.63 -0.21 -0.03 0.00 0.00 0.00 0.00 51.96 52.34 3g6k s ALA 21 Cb -0.45 -3.54 0.01 0.00 0.00 0.00 0.00 23.12 19.13 3g6k s ALA 21 CO 0.44 -1.41 0.09 0.00 0.00 0.00 0.00 175.76 174.87 3g6k s ALA 22 N 3.41 -0.21 0.61 0.00 0.00 -1.26 -5.08 121.76 119.23 3g6k s ALA 22 Ca 0.41 0.21 -0.15 0.00 0.00 0.00 0.00 51.96 52.43 3g6k s ALA 22 Cb -0.13 -0.13 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 3g6k s ALA 22 CO 0.15 -0.05 1.07 -1.21 0.00 0.00 0.00 175.76 175.71 3g6k s GLU 23 N -0.03 3.20 0.57 0.00 0.41 -1.26 -4.78 118.70 116.80 3g6k s GLU 23 Ca -0.01 1.22 0.28 0.00 -0.41 0.00 0.00 54.97 56.05 3g6k s GLU 23 Cb -0.01 -2.02 1.69 0.00 -1.78 0.00 0.00 34.13 32.02 3g6k s GLU 23 CO 0.00 -0.91 2.20 0.66 -0.49 0.00 0.00 175.26 176.73 3g6k h SER 24 N 0.29 0.00 -0.27 -0.19 4.64 -2.01 -1.27 113.55 114.75 3g6k h SER 24 Ca -0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.85 3g6k h SER 24 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 3g6k h SER 24 CO 0.57 0.04 0.00 -0.90 -0.87 0.00 0.00 176.83 175.66 3g6k n ASP 25 N -3.83 2.30 -4.88 4.97 5.68 -1.26 -4.50 116.55 115.03 3g6k n ASP 25 Ca -0.03 -1.84 -0.30 0.00 -0.50 0.00 0.00 54.79 52.12 3g6k n ASP 25 Cb 0.12 -0.17 0.02 0.00 -1.14 0.00 0.00 41.12 39.95 3g6k n ASP 25 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 3g6k s SER 26 N -1.46 6.05 0.24 -1.12 1.04 -0.48 -4.93 113.70 113.04 3g6k s SER 26 Ca 0.34 1.27 -0.06 0.00 0.48 0.00 0.00 55.95 57.97 3g6k s SER 26 Cb 0.19 -2.30 0.28 0.00 0.10 0.00 0.00 66.02 64.28 3g6k s SER 26 CO 0.27 -0.93 1.88 0.40 0.98 0.00 0.00 173.24 175.84 3g6k h ILE 27 N -0.31 1.15 -0.48 -1.02 2.04 -1.92 -2.00 117.51 114.96 3g6k h ILE 27 Ca -0.45 -0.38 -0.02 0.00 1.00 0.00 0.00 64.86 65.01 3g6k h ILE 27 Cb 1.21 -0.07 -0.02 0.00 -0.74 0.00 0.00 36.82 37.19 3g6k h ILE 27 CO 0.62 0.20 0.22 0.40 0.00 0.00 0.00 178.15 179.60 3g6k h ILE 28 N 1.12 1.20 -0.63 -0.67 2.04 -1.93 0.18 117.51 118.82 3g6k h ILE 28 Ca 0.36 -0.57 -0.06 0.00 1.00 0.00 0.00 64.86 65.59 3g6k h ILE 28 Cb 0.00 0.67 -0.03 0.00 -0.74 0.00 0.00 36.82 36.73 3g6k h ILE 28 CO -0.12 0.22 0.14 0.00 0.00 0.00 0.00 178.15 178.40 3g6k h ALA 29 N 1.06 1.08 -0.48 1.87 0.00 -1.72 0.27 119.26 121.35 3g6k h ALA 29 Ca 0.16 -0.23 -0.06 0.00 0.00 0.00 0.00 54.91 54.78 3g6k h ALA 29 Cb 0.14 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 3g6k h ALA 29 CO -0.02 0.61 0.04 0.37 0.00 0.00 0.00 179.25 180.25 3g6k h GLN 30 N 0.94 0.76 -0.46 0.00 4.15 -1.01 -1.12 115.11 118.38 3g6k h GLN 30 Ca 0.20 -0.18 -0.11 0.00 0.77 0.00 0.00 58.65 59.33 3g6k h GLN 30 Cb 0.34 -0.10 -0.02 0.00 0.21 0.00 0.00 27.48 27.92 3g6k h GLN 30 CO 0.00 0.75 -0.14 1.15 -1.93 0.00 0.00 178.83 178.66 3g6k h THR 31 N 0.72 1.26 -0.56 2.39 2.02 -0.31 -0.81 112.91 117.63 3g6k h THR 31 Ca 0.15 -1.24 -0.00 0.00 0.77 0.00 0.00 66.41 66.08 3g6k h THR 31 Cb 0.39 1.06 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3g6k h THR 31 CO 0.01 0.43 0.33 1.56 0.37 0.00 0.00 175.52 178.22 3g6k h GLN 32 N 0.76 0.77 -0.95 6.66 4.20 -0.47 0.19 115.11 126.27 3g6k h GLN 32 Ca 0.12 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.76 3g6k h GLN 32 Cb 0.65 -0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.23 3g6k h GLN 32 CO 0.05 0.56 0.60 0.00 -0.67 0.00 0.00 178.83 179.36 3g6k h ARG 33 N 0.76 1.28 -0.42 1.46 3.08 -0.96 -1.58 114.38 118.00 3g6k h ARG 33 Ca 0.20 -0.10 -0.09 0.00 0.07 0.00 0.00 59.98 60.06 3g6k h ARG 33 Cb -0.00 -0.28 -0.02 0.00 0.08 0.00 0.00 29.97 29.75 3g6k h ARG 33 CO -0.04 0.88 -0.09 0.00 -1.07 0.00 0.00 179.97 179.66 3g6k h ALA 34 N 1.35 1.06 -0.19 0.04 0.00 -0.28 -1.29 119.26 119.94 3g6k h ALA 34 Ca 0.35 -0.30 0.01 0.00 0.00 0.00 0.00 54.91 54.97 3g6k h ALA 34 Cb -0.09 -0.17 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3g6k h ALA 34 CO -0.07 0.58 0.11 0.82 0.00 0.00 0.00 179.25 180.69 3g6k h ILE 35 N 0.68 1.02 -0.06 0.00 2.04 -0.27 -1.23 117.51 119.69 3g6k h ILE 35 Ca 0.12 -0.08 -0.08 0.00 1.00 0.00 0.00 64.86 65.82 3g6k h ILE 35 Cb 0.54 0.77 -0.01 0.00 -0.74 0.00 0.00 36.82 37.38 3g6k h ILE 35 CO 0.03 0.04 -0.34 0.78 0.00 0.00 0.00 178.15 178.67 3g6k h ASN 36 N 0.23 0.11 -0.33 1.72 2.35 -0.92 1.00 115.58 119.73 3g6k h ASN 36 Ca 0.07 -0.04 -0.06 0.00 -0.55 0.00 0.00 56.30 55.72 3g6k h ASN 36 Cb -0.00 -0.03 -0.01 0.00 0.05 0.00 0.00 38.32 38.33 3g6k h ASN 36 CO -0.04 0.45 -0.04 0.74 -1.65 0.00 0.00 177.43 176.89 3g6k h THR 37 N 0.10 1.27 -0.64 2.81 2.02 -1.04 -1.44 112.91 115.99 3g6k h THR 37 Ca 0.01 -1.05 0.01 0.00 0.77 0.00 0.00 66.41 66.16 3g6k h THR 37 Cb 0.65 1.29 -0.03 0.00 -1.74 0.00 0.00 68.15 68.31 3g6k h THR 37 CO 0.05 0.34 0.41 0.74 0.37 0.00 0.00 175.52 177.43 3g6k h THR 38 N 0.40 1.14 -0.90 3.16 2.02 -0.76 -1.94 112.91 116.02 3g6k h THR 38 Ca 0.09 -0.29 0.02 0.00 0.77 0.00 0.00 66.41 67.01 3g6k h THR 38 Cb 0.51 0.23 -0.05 0.00 -1.74 0.00 0.00 68.15 67.10 3g6k h THR 38 CO 0.02 0.15 0.59 0.11 0.37 0.00 0.00 175.52 176.77 3g6k h LYS 39 N 0.83 1.14 -0.57 6.66 1.57 -0.67 -1.46 116.57 124.07 3g6k h LYS 39 Ca 0.24 -0.07 -0.10 0.00 -1.87 0.00 0.00 60.65 58.85 3g6k h LYS 39 Cb -0.06 -0.26 -0.02 0.00 0.08 0.00 0.00 32.23 31.97 3g6k h LYS 39 CO -0.07 0.76 -0.03 0.77 -0.57 0.00 0.00 179.45 180.30 3g6k h SER 40 N 1.18 0.99 -0.43 0.86 0.02 -0.94 0.29 113.55 115.52 3g6k h SER 40 Ca 0.35 -0.29 -0.01 0.00 -0.84 0.00 0.00 61.79 61.00 3g6k h SER 40 Cb -0.06 -0.27 -0.02 0.00 0.14 0.00 0.00 62.40 62.19 3g6k h SER 40 CO -0.10 1.06 0.25 0.40 -1.14 0.00 0.00 176.83 177.30 3g6k h ILE 41 N 0.92 1.15 0.03 3.27 2.04 -0.90 -0.16 117.51 123.86 3g6k h ILE 41 Ca 0.16 -0.37 -0.00 0.00 1.00 0.00 0.00 64.86 65.65 3g6k h ILE 41 Cb 0.58 0.61 0.00 0.00 -0.74 0.00 0.00 36.82 37.26 3g6k h ILE 41 CO 0.03 0.15 -0.02 -0.07 0.00 0.00 0.00 178.15 178.25 3g6k h LEU 42 N 0.57 -0.04 -0.28 1.44 3.38 -0.92 -1.43 115.31 118.02 3g6k h LEU 42 Ca 0.15 -0.62 -0.20 0.00 0.09 0.00 0.00 57.88 57.30 3g6k h LEU 42 Cb 0.03 0.01 0.00 0.00 0.09 0.00 0.00 40.66 40.79 3g6k h LEU 42 CO -0.03 0.64 -0.65 0.40 0.09 0.00 0.00 178.44 178.90 3g6k h ILE 43 N -0.75 1.29 0.06 1.22 2.04 -0.45 -0.95 117.51 119.96 3g6k h ILE 43 Ca -0.00 -1.85 -0.34 0.00 1.00 0.00 0.00 64.86 63.66 3g6k h ILE 43 Cb 0.66 1.80 -0.04 0.00 -0.74 0.00 0.00 36.82 38.51 3g6k h ILE 43 CO 0.01 0.59 -1.98 0.59 0.00 0.00 0.00 178.15 177.36 3g6k n ASN 44 N -3.96 1.53 -0.03 1.72 3.02 -0.09 -4.44 115.26 113.01 3g6k n ASN 44 Ca -0.05 0.23 0.01 0.00 -0.03 0.00 0.00 54.58 54.74 3g6k n ASN 44 Cb 0.68 -0.41 -0.11 0.00 -0.61 0.00 0.00 39.78 39.33 3g6k n ASN 44 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 3g6k n GLU 45 N -3.26 1.07 -0.06 3.52 1.02 -0.97 -4.71 120.64 117.25 3g6k n GLU 45 Ca -0.28 -0.07 -0.07 0.00 -0.02 0.00 0.00 57.16 56.71 3g6k n GLU 45 Cb 1.05 -1.33 -0.02 0.00 -0.02 0.00 0.00 31.44 31.12 3g6k n GLU 45 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 3g6k n THR 46 N -2.20 1.26 0.07 2.62 -1.04 -0.58 -4.50 114.28 109.91 3g6k n THR 46 Ca -0.11 0.21 0.03 0.00 -2.04 0.00 0.00 64.05 62.14 3g6k n THR 46 Cb 0.61 -2.15 0.42 0.00 -1.82 0.00 0.00 70.33 67.38 3g6k n THR 46 CO 0.00 0.00 0.00 -0.26 -0.64 0.00 0.00 175.07 174.17 3g6k h PHE 47 N -0.77 0.37 0.00 -1.42 0.04 -1.36 0.55 116.94 114.35 3g6k h PHE 47 Ca 0.00 -0.02 -0.01 0.00 2.80 0.00 0.00 57.97 60.75 3g6k h PHE 47 Cb 0.77 -0.11 -0.00 0.00 2.20 0.00 0.00 35.95 38.80 3g6k h PHE 47 CO -0.33 0.34 -0.03 -1.35 -0.60 0.00 0.00 178.31 176.34 3g6k h PRO 48 N 0.37 0.00 0.03 1.51 0.11 -1.82 -3.30 132.00 128.89 3g6k h PRO 48 Ca 0.09 0.00 -0.39 0.00 0.11 0.00 0.00 66.00 65.81 3g6k h PRO 48 Cb 0.16 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.21 3g6k h PRO 48 CO -0.00 0.03 -2.35 1.63 -0.21 0.00 0.00 178.00 177.09 3g6k n LYS 49 N -3.32 0.66 -4.72 1.05 5.02 0.05 -4.97 118.16 111.92 3g6k n LYS 49 Ca -0.02 0.20 -0.24 0.00 -2.02 0.00 0.00 58.31 56.23 3g6k n LYS 49 Cb 0.15 -1.56 -0.16 0.00 -0.02 0.00 0.00 35.03 33.45 3g6k n LYS 49 CO 0.00 0.00 0.00 -1.58 -0.52 0.00 0.00 177.40 175.30 3g6k s TRP 50 N -2.52 1.46 -0.10 2.13 0.51 -0.37 -5.12 118.94 114.92 3g6k s TRP 50 Ca -0.33 -0.35 -0.30 0.00 -2.12 0.00 0.00 56.10 53.00 3g6k s TRP 50 Cb 0.09 -0.97 -0.01 0.00 -0.81 0.00 0.00 33.47 31.76 3g6k s TRP 50 CO 0.62 -0.10 1.04 0.45 -0.51 0.00 0.00 176.95 178.45 3g6k s SER 51 N -0.11 7.21 0.00 2.95 0.15 -1.26 -4.24 113.70 118.41 3g6k s SER 51 Ca 0.00 1.57 0.29 0.00 0.70 0.00 0.00 55.95 58.51 3g6k s SER 51 Cb -0.09 -2.56 1.59 0.00 -1.71 0.00 0.00 66.02 63.25 3g6k s SER 51 CO 0.01 -0.47 2.05 -0.81 1.20 0.00 0.00 173.24 175.21 3g6k n PRO 52 N 5.08 0.61 -0.00 5.44 -0.04 -1.26 -2.98 135.00 141.85 3g6k n PRO 52 Ca 0.09 0.01 0.11 0.00 -0.04 0.00 0.00 63.50 63.67 3g6k n PRO 52 Cb 0.48 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.28 3g6k n PRO 52 CO 0.00 0.00 0.00 1.28 -0.04 0.00 0.00 175.50 176.74 3g6k n LEU 53 N -1.18 0.07 -0.07 1.53 4.77 -1.26 -4.62 117.00 116.24 3g6k n LEU 53 Ca 0.17 0.01 0.06 0.00 -0.03 0.00 0.00 56.01 56.22 3g6k n LEU 53 Cb 0.18 -0.00 0.09 0.00 -2.33 0.00 0.00 43.42 41.35 3g6k n LEU 53 CO 0.20 -0.01 0.52 -0.46 -1.33 0.00 0.00 177.39 176.32 3g6k n ASN 54 N -2.27 2.04 0.00 -1.43 0.23 -1.26 -4.92 115.26 107.66 3g6k n ASN 54 Ca -0.04 -2.64 0.00 0.00 -0.53 0.00 0.00 54.58 51.37 3g6k n ASN 54 Cb 0.56 -0.28 0.00 0.00 -2.08 0.00 0.00 39.78 37.99 3g6k n ASN 54 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3g6k n GLY 55 N -1.04 0.83 0.22 4.83 0.00 -1.26 -4.94 105.19 103.84 3g6k n GLY 55 Ca 0.10 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.18 3g6k n GLY 55 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 3g6k h GLU 56 N 3.78 0.00 -5.29 1.61 5.08 -1.73 -3.34 114.58 114.69 3g6k h GLU 56 Ca 0.00 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.70 3g6k h GLU 56 Cb 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 28.75 28.97 3g6k h GLU 56 CO 0.00 0.25 -0.77 0.42 -1.00 0.00 0.00 179.01 177.90 3g6k s ILE 57 N -4.32 2.98 0.26 3.13 1.01 -1.16 -0.14 121.20 122.95 3g6k s ILE 57 Ca -0.03 -0.68 0.10 0.00 0.00 0.00 0.00 60.65 60.04 3g6k s ILE 57 Cb 0.14 -2.25 -0.04 0.00 0.01 0.00 0.00 42.46 40.32 3g6k s ILE 57 CO 0.68 0.52 -0.05 -0.55 0.00 0.00 0.00 174.94 175.54 3g6k s SER 58 N 0.45 4.32 -0.22 3.58 0.15 -0.62 -4.71 113.70 116.65 3g6k s SER 58 Ca -0.10 -0.71 -0.02 0.00 0.70 0.00 0.00 55.95 55.82 3g6k s SER 58 Cb -0.16 -0.72 0.01 0.00 -1.71 0.00 0.00 66.02 63.44 3g6k s SER 58 CO 0.05 0.02 -0.10 0.12 1.20 0.00 0.00 173.24 174.53 3g6k s PHE 59 N -2.29 2.93 -0.18 3.44 5.36 -0.50 -0.83 117.98 125.92 3g6k s PHE 59 Ca 0.30 -1.36 -0.27 0.00 -0.96 0.00 0.00 56.93 54.64 3g6k s PHE 59 Cb -0.06 -2.03 -0.01 0.00 -0.34 0.00 0.00 43.02 40.58 3g6k s PHE 59 CO 0.18 -0.69 0.94 0.45 -1.46 0.00 0.00 175.22 174.65 3g6k s SER 60 N 1.37 7.06 -0.02 6.13 0.15 0.13 -0.82 113.70 127.70 3g6k s SER 60 Ca 0.04 1.31 0.00 0.00 0.70 0.00 0.00 55.95 58.01 3g6k s SER 60 Cb -0.15 -2.51 0.03 0.00 -1.71 0.00 0.00 66.02 61.68 3g6k s SER 60 CO -0.07 -0.51 0.01 -0.47 1.20 0.00 0.00 173.24 173.40 3g6k s TYR 61 N 2.52 0.17 -0.06 3.44 5.04 -0.12 -4.64 117.35 123.70 3g6k s TYR 61 Ca 0.42 0.05 0.09 0.00 -2.44 0.00 0.00 57.07 55.19 3g6k s TYR 61 Cb -0.16 -0.30 0.13 0.00 0.35 0.00 0.00 41.96 41.98 3g6k s TYR 61 CO 0.11 -0.10 1.04 0.27 -1.34 0.00 0.00 175.55 175.53 3g6k n ASN 62 N 4.03 1.18 0.00 4.32 6.94 -1.26 -4.09 115.26 126.38 3g6k n ASN 62 Ca -0.26 -2.43 0.00 0.00 -0.02 0.00 0.00 54.58 51.87 3g6k n ASN 62 Cb 0.51 -0.28 0.00 0.00 -2.36 0.00 0.00 39.78 37.65 3g6k n ASN 62 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 3g6k n GLY 63 N -0.68 1.35 3.81 4.83 0.00 -1.26 -4.84 105.19 108.39 3g6k n GLY 63 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.80 3g6k n GLY 63 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3g6k s GLY 64 N -2.00 1.66 0.37 -0.02 0.00 -1.26 -4.55 107.32 101.52 3g6k s GLY 64 Ca 0.00 -0.91 0.10 0.00 0.00 0.00 0.00 44.72 43.91 3g6k s GLY 64 CO 0.00 -0.20 1.86 0.07 0.00 0.00 0.00 173.10 174.83 3g6k h LYS 65 N -1.76 0.17 0.02 2.90 2.10 -1.97 -0.53 116.57 117.50 3g6k h LYS 65 Ca -0.46 -0.05 -0.07 0.00 -2.00 0.00 0.00 60.65 58.07 3g6k h LYS 65 Cb 1.28 -0.02 -0.00 0.00 -0.90 0.00 0.00 32.23 32.60 3g6k h LYS 65 CO 0.46 0.41 -0.33 -0.44 -2.00 0.00 0.00 179.45 177.55 3g6k h ASP 66 N 0.16 0.08 0.63 7.07 3.32 -1.93 -1.26 116.42 124.49 3g6k h ASP 66 Ca 0.03 -0.92 -0.05 0.00 0.02 0.00 0.00 57.03 56.10 3g6k h ASP 66 Cb 0.52 -0.03 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 3g6k h ASP 66 CO 0.04 1.14 -0.25 0.00 -1.72 0.00 0.00 179.24 178.45 3g6k h GLN 68 N 0.00 0.17 -0.52 0.00 4.15 -1.11 0.58 115.11 118.38 3g6k h GLN 68 Ca -0.00 -0.05 0.07 0.00 0.77 0.00 0.00 58.65 59.43 3g6k h GLN 68 Cb 0.64 -0.02 -0.06 0.00 0.21 0.00 0.00 27.48 28.25 3g6k h GLN 68 CO 0.03 0.42 0.19 0.28 -1.93 0.00 0.00 178.83 177.83 3g6k h VAL 69 N -0.11 0.83 -0.62 2.39 2.07 -1.02 -1.54 116.25 118.26 3g6k h VAL 69 Ca 0.03 -0.13 -0.05 0.00 0.82 0.00 0.00 66.70 67.37 3g6k h VAL 69 Cb 0.35 0.42 -0.03 0.00 -1.52 0.00 0.00 31.29 30.51 3g6k h VAL 69 CO 0.00 0.07 0.19 0.25 0.02 0.00 0.00 177.57 178.10 3g6k h LEU 70 N 0.38 0.88 -0.68 2.57 5.85 -1.04 -1.29 115.31 121.97 3g6k h LEU 70 Ca 0.25 -0.15 -0.01 0.00 0.84 0.00 0.00 57.88 58.81 3g6k h LEU 70 Cb 0.26 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 41.03 3g6k h LEU 70 CO -0.24 0.83 0.39 0.25 -0.34 0.00 0.00 178.44 179.33 3g6k h LEU 71 N 0.92 0.84 -0.39 2.25 5.85 -0.17 0.28 115.31 124.88 3g6k h LEU 71 Ca 0.20 -0.08 -0.01 0.00 0.84 0.00 0.00 57.88 58.84 3g6k h LEU 71 Cb 0.27 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 41.07 3g6k h LEU 71 CO -0.01 0.67 0.22 -0.07 -0.34 0.00 0.00 178.44 178.92 3g6k h LEU 72 N 0.93 0.48 -0.96 2.25 3.38 -0.71 0.06 115.31 120.74 3g6k h LEU 72 Ca 0.24 -0.08 -0.07 0.00 0.09 0.00 0.00 57.88 58.06 3g6k h LEU 72 Cb 0.01 -0.12 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3g6k h LEU 72 CO -0.04 0.42 -0.01 -0.07 0.09 0.00 0.00 178.44 178.82 3g6k h LEU 73 N 0.50 0.71 -0.19 1.67 3.38 -0.86 -1.28 115.31 119.25 3g6k h LEU 73 Ca 0.14 -0.17 -0.03 0.00 0.09 0.00 0.00 57.88 57.91 3g6k h LEU 73 Cb 0.04 -0.19 -0.01 0.00 0.09 0.00 0.00 40.66 40.59 3g6k h LEU 73 CO -0.02 0.79 0.00 0.22 0.09 0.00 0.00 178.44 179.52 3g6k h TYR 74 N 0.69 0.36 -0.91 1.13 3.20 -0.07 -0.08 116.97 121.30 3g6k h TYR 74 Ca 0.14 -0.06 0.01 0.00 3.14 0.00 0.00 58.73 61.95 3g6k h TYR 74 Cb 0.45 -0.09 -0.04 0.00 1.54 0.00 0.00 36.73 38.58 3g6k h TYR 74 CO 0.02 0.52 0.59 -0.07 -1.64 0.00 0.00 178.16 177.58 3g6k h LEU 75 N 0.09 1.06 -0.42 2.82 3.38 -0.92 0.21 115.31 121.52 3g6k h LEU 75 Ca 0.05 -0.04 0.02 0.00 0.09 0.00 0.00 57.88 58.00 3g6k h LEU 75 Cb 0.38 -0.27 -0.03 0.00 0.09 0.00 0.00 40.66 40.84 3g6k h LEU 75 CO 0.01 0.78 0.25 -1.28 0.09 0.00 0.00 178.44 178.29 3g6k h SER 76 N 1.24 0.41 0.12 -0.43 0.87 -1.00 -1.95 113.55 112.82 3g6k h SER 76 Ca 0.33 0.00 -0.09 0.00 -1.23 0.00 0.00 61.79 60.81 3g6k h SER 76 Cb -0.12 -0.09 -0.01 0.00 -0.44 0.00 0.00 62.40 61.74 3g6k h SER 76 CO -0.07 0.30 -0.30 0.00 -0.53 0.00 0.00 176.83 176.23 3g6k h LEU 78 N 0.24 0.39 -0.42 0.00 3.38 -0.54 0.13 115.31 118.49 3g6k h LEU 78 Ca 0.03 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 3g6k h LEU 78 Cb 0.66 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.29 3g6k h LEU 78 CO 0.05 0.33 0.22 -0.25 0.09 0.00 0.00 178.44 178.87 3g6k h TRP 79 N 0.41 0.60 -0.41 1.13 2.91 -0.96 -2.10 115.95 117.53 3g6k h TRP 79 Ca 0.11 -0.02 -0.03 0.00 1.13 0.00 0.00 58.89 60.08 3g6k h TRP 79 Cb 0.01 -0.19 -0.02 0.00 -0.51 0.00 0.00 29.16 28.46 3g6k h TRP 79 CO -0.04 0.48 0.15 1.49 -1.03 0.00 0.00 178.44 179.48 3g6k h GLU 80 N 0.55 0.63 -0.47 2.65 4.81 -0.75 0.11 114.58 122.11 3g6k h GLU 80 Ca 0.15 -0.13 -0.05 0.00 -0.13 0.00 0.00 59.36 59.20 3g6k h GLU 80 Cb 0.09 -0.10 -0.02 0.00 0.63 0.00 0.00 28.75 29.36 3g6k h GLU 80 CO -0.02 0.61 0.08 -0.92 -0.73 0.00 0.00 179.01 178.03 3g6k h TYR 81 N 0.52 0.82 0.08 0.92 3.20 -0.60 0.93 116.97 122.83 3g6k h TYR 81 Ca 0.14 -0.11 -0.36 0.00 3.14 0.00 0.00 58.73 61.54 3g6k h TYR 81 Cb 0.23 -0.22 -0.03 0.00 1.54 0.00 0.00 36.73 38.24 3g6k h TYR 81 CO 0.01 0.76 -2.02 0.66 -1.64 0.00 0.00 178.16 175.93 3g6k n TYR 82 N -4.45 0.92 -0.08 -3.82 4.01 -0.80 -1.92 117.16 111.02 3g6k n TYR 82 Ca 0.01 0.23 -0.23 0.00 -0.16 0.00 0.00 57.90 57.75 3g6k n TYR 82 Cb 0.24 -1.12 -0.12 0.00 -0.31 0.00 0.00 39.34 38.04 3g6k n TYR 82 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 3g6k n ILE 83 N -3.61 1.61 -0.07 -0.72 2.08 0.34 -2.98 119.36 116.00 3g6k n ILE 83 Ca -0.36 -0.40 -0.15 0.00 0.56 0.00 0.00 62.75 62.41 3g6k n ILE 83 Cb 0.98 -1.80 -0.13 0.00 -0.75 0.00 0.00 39.64 37.94 3g6k n ILE 83 CO 0.00 0.00 0.00 0.58 0.56 0.00 0.00 176.55 177.69 3g6k h VAL 84 N -0.47 1.71 -0.00 1.39 2.07 -1.18 -3.35 116.25 116.41 3g6k h VAL 84 Ca -0.48 -2.32 0.00 0.00 0.82 0.00 0.00 66.70 64.71 3g6k h VAL 84 Cb 1.71 3.27 0.00 0.00 -1.52 0.00 0.00 31.29 34.74 3g6k h VAL 84 CO -0.13 0.58 -0.22 0.29 0.02 0.00 0.00 177.57 178.10 3g6k n LYS 85 N -4.60 0.37 -3.79 1.57 5.02 0.30 -4.97 118.16 112.06 3g6k n LYS 85 Ca -0.12 -0.15 -0.25 0.00 -2.02 0.00 0.00 58.31 55.77 3g6k n LYS 85 Cb 0.49 -1.50 0.03 0.00 -0.02 0.00 0.00 35.03 34.03 3g6k n LYS 85 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 3g6k n LEU 86 N -1.18 -2.85 -0.02 -0.35 4.77 -1.16 -4.97 117.00 111.25 3g6k n LEU 86 Ca 0.10 -0.82 -0.16 0.00 -0.03 0.00 0.00 56.01 55.10 3g6k n LEU 86 Cb 0.32 -2.60 -0.11 0.00 -2.33 0.00 0.00 43.42 38.70 3g6k n LEU 86 CO 0.28 0.43 0.35 0.28 -1.33 0.00 0.00 177.39 177.40 3g6k h SER 87 N -1.95 0.38 -4.13 -1.43 0.02 -1.49 -3.50 113.55 101.46 3g6k h SER 87 Ca -0.60 -0.75 -0.35 0.00 -0.84 0.00 0.00 61.79 59.25 3g6k h SER 87 Cb 1.37 -0.11 -0.17 0.00 0.14 0.00 0.00 62.40 63.62 3g6k h SER 87 CO 0.61 1.07 -0.73 -2.84 -1.14 0.00 0.00 176.83 173.79 3g6k s PRO 99 N -3.25 0.98 -0.02 3.45 0.02 -1.26 -4.85 135.00 130.07 3g6k s PRO 99 Ca -0.14 -1.28 -0.30 0.00 0.02 0.00 0.00 61.00 59.29 3g6k s PRO 99 Cb 0.02 -0.68 -0.03 0.00 0.02 0.00 0.00 34.50 33.83 3g6k s PRO 99 CO 0.78 0.11 1.05 -1.17 -0.33 0.00 0.00 177.00 177.44 3g6k s LEU 100 N -2.69 4.33 -0.12 -5.54 2.96 -1.26 -4.92 118.68 111.44 3g6k s LEU 100 Ca 0.10 1.71 0.17 0.00 -0.22 0.00 0.00 54.13 55.89 3g6k s LEU 100 Cb -0.02 -3.57 -0.25 0.00 0.50 0.00 0.00 46.19 42.86 3g6k s LEU 100 CO 0.01 -0.38 0.19 0.35 -1.32 0.00 0.00 176.35 175.21 3g6k n THR 101 N 4.13 0.79 -3.85 3.68 -2.24 -1.26 -4.80 114.28 110.73 3g6k n THR 101 Ca 0.08 -0.64 -0.11 0.00 -2.27 0.00 0.00 64.05 61.10 3g6k n THR 101 Cb 0.49 -0.32 -0.09 0.00 -2.10 0.00 0.00 70.33 68.31 3g6k n THR 101 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 3g6k s LYS 102 N -2.75 0.54 -0.24 -0.78 -0.14 -1.26 -4.32 119.74 110.79 3g6k s LYS 102 Ca -0.08 -0.40 -0.16 0.00 -1.36 0.00 0.00 55.97 53.96 3g6k s LYS 102 Cb 0.08 0.23 -0.03 0.00 -1.68 0.00 0.00 37.83 36.42 3g6k s LYS 102 CO 0.75 -0.14 0.44 -1.17 -0.76 0.00 0.00 175.35 174.48 3g6k s LEU 103 N -1.48 4.08 0.06 3.17 2.96 0.35 -4.69 118.68 123.14 3g6k s LEU 103 Ca -0.13 0.46 -0.31 0.00 -0.22 0.00 0.00 54.13 53.93 3g6k s LEU 103 Cb -0.06 -2.55 -0.10 0.00 0.50 0.00 0.00 46.19 43.97 3g6k s LEU 103 CO 0.01 -0.19 1.91 -2.65 -1.32 0.00 0.00 176.35 174.11 3g6k n PRO 104 N 5.16 2.78 -4.07 0.98 -0.02 -1.26 -0.40 135.00 138.16 3g6k n PRO 104 Ca -0.07 1.02 -0.13 0.00 -2.02 0.00 0.00 63.50 62.30 3g6k n PRO 104 Cb 0.50 -2.94 -0.11 0.00 -0.02 0.00 0.00 33.50 30.93 3g6k n PRO 104 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 3g6k s THR 105 N 3.76 0.56 -0.04 3.45 2.01 -0.36 -1.40 115.64 123.61 3g6k s THR 105 Ca 0.87 -1.08 0.00 0.00 0.31 0.00 0.00 61.69 61.79 3g6k s THR 105 Cb -0.48 -0.62 0.02 0.00 0.01 0.00 0.00 72.50 71.43 3g6k s THR 105 CO 0.41 -0.37 -0.02 0.54 -0.69 0.00 0.00 174.62 174.49 3g6k s VAL 106 N -1.37 0.33 -0.12 3.82 0.11 0.00 -1.00 120.40 122.17 3g6k s VAL 106 Ca -0.10 0.01 0.02 0.00 -2.93 0.00 0.00 61.98 58.99 3g6k s VAL 106 Cb -0.10 -0.40 0.01 0.00 -1.53 0.00 0.00 36.38 34.36 3g6k s VAL 106 CO 0.00 0.19 -0.20 0.12 -3.33 0.00 0.00 175.10 171.88 3g6k s PHE 107 N 1.08 2.39 -0.48 1.54 5.36 0.08 -0.95 117.98 127.00 3g6k s PHE 107 Ca -0.09 -1.14 -0.21 0.00 -0.96 0.00 0.00 56.93 54.53 3g6k s PHE 107 Cb -0.14 -1.65 0.04 0.00 -0.34 0.00 0.00 43.02 40.93 3g6k s PHE 107 CO -0.01 -0.53 0.70 0.42 -1.46 0.00 0.00 175.22 174.33 3g6k s ILE 108 N 0.79 4.76 0.35 3.12 -1.09 -1.26 -1.32 121.20 126.55 3g6k s ILE 108 Ca -0.09 -0.07 -0.11 0.00 -2.23 0.00 0.00 60.65 58.15 3g6k s ILE 108 Cb -0.16 -4.31 -0.07 0.00 -1.58 0.00 0.00 42.46 36.35 3g6k s ILE 108 CO 0.00 -0.77 0.72 -0.62 -1.23 0.00 0.00 174.94 173.04 3g6k s ASP 109 N 2.41 6.60 0.05 3.58 2.15 -1.26 -4.92 116.67 125.29 3g6k s ASP 109 Ca 0.22 1.12 -0.02 0.00 0.43 0.00 0.00 52.55 54.30 3g6k s ASP 109 Cb -0.16 -2.31 -0.03 0.00 -0.30 0.00 0.00 42.92 40.12 3g6k s ASP 109 CO 0.17 -0.29 0.00 -1.00 -0.17 0.00 0.00 175.17 173.87 3g6k s HIS 110 N -2.18 0.45 -0.88 -5.34 3.76 -1.26 -4.34 115.29 105.51 3g6k s HIS 110 Ca 0.51 -0.97 0.22 0.00 -0.15 0.00 0.00 55.06 54.67 3g6k s HIS 110 Cb -0.10 -0.33 0.88 0.00 1.11 0.00 0.00 32.58 34.14 3g6k s HIS 110 CO 0.26 -0.39 1.68 -0.40 -0.85 0.00 0.00 174.74 175.04 3g6k n ASP 111 N 0.17 0.20 -0.69 1.40 5.68 -1.09 -2.51 116.55 119.72 3g6k n ASP 111 Ca -0.15 0.54 0.04 0.00 -0.50 0.00 0.00 54.79 54.72 3g6k n ASP 111 Cb 0.61 -0.58 0.20 0.00 -1.14 0.00 0.00 41.12 40.20 3g6k n ASP 111 CO 0.00 0.00 0.00 -0.90 -1.33 0.00 0.00 177.20 174.97 3g6k n ASP 112 N -1.71 2.36 -4.76 -1.12 5.75 -1.26 -5.01 116.55 110.80 3g6k n ASP 112 Ca 0.05 -3.57 -0.40 0.00 -0.01 0.00 0.00 54.79 50.86 3g6k n ASP 112 Cb 0.26 -0.54 -0.05 0.00 -1.03 0.00 0.00 41.12 39.76 3g6k n ASP 112 CO 0.00 0.00 0.00 -0.89 -0.11 0.00 0.00 177.20 176.20 3g6k s THR 113 N -3.11 3.76 0.30 2.12 2.01 -1.05 -0.60 115.64 119.08 3g6k s THR 113 Ca 0.39 1.74 -0.29 0.00 0.31 0.00 0.00 61.69 63.84 3g6k s THR 113 Cb 0.36 -4.09 -0.13 0.00 0.01 0.00 0.00 72.50 68.65 3g6k s THR 113 CO -0.01 0.38 1.37 0.49 -0.69 0.00 0.00 174.62 176.17 3g6k n PHE 114 N 1.21 2.33 -0.37 4.92 3.72 -1.26 -4.80 117.46 123.20 3g6k n PHE 114 Ca -0.01 0.47 -0.02 0.00 -0.05 0.00 0.00 57.45 57.84 3g6k n PHE 114 Cb 0.46 -2.46 0.11 0.00 -0.94 0.00 0.00 39.48 36.65 3g6k n PHE 114 CO 0.00 0.00 0.00 -0.22 -0.05 0.00 0.00 176.76 176.49 3g6k h LYS 115 N 3.43 1.30 -0.89 -1.08 1.63 -1.99 -0.85 116.57 118.12 3g6k h LYS 115 Ca -0.46 -0.08 0.06 0.00 -0.85 0.00 0.00 60.65 59.32 3g6k h LYS 115 Cb 1.27 -0.29 -0.06 0.00 -0.60 0.00 0.00 32.23 32.55 3g6k h LYS 115 CO 0.69 0.86 0.58 1.15 -3.45 0.00 0.00 179.45 179.29 3g6k h THR 116 N 1.34 1.07 -0.17 1.00 2.02 -1.90 -0.46 112.91 115.82 3g6k h THR 116 Ca 0.36 -0.35 -0.22 0.00 0.77 0.00 0.00 66.41 66.97 3g6k h THR 116 Cb -0.15 -0.04 0.01 0.00 -1.74 0.00 0.00 68.15 66.23 3g6k h THR 116 CO -0.08 0.19 -0.76 0.25 0.37 0.00 0.00 175.52 175.49 3g6k h LEU 117 N 1.02 0.96 -0.50 2.58 5.85 -1.63 -0.65 115.31 122.95 3g6k h LEU 117 Ca 0.38 -0.62 0.07 0.00 0.84 0.00 0.00 57.88 58.55 3g6k h LEU 117 Cb 0.18 -0.28 -0.06 0.00 0.37 0.00 0.00 40.66 40.87 3g6k h LEU 117 CO -0.14 1.42 0.17 -0.33 -0.34 0.00 0.00 178.44 179.22 3g6k h GLU 118 N 0.56 0.33 -0.62 1.25 4.39 -0.59 -0.05 114.58 119.84 3g6k h GLU 118 Ca -0.05 -0.02 -0.08 0.00 0.34 0.00 0.00 59.36 59.56 3g6k h GLU 118 Cb 1.39 -0.07 -0.02 0.00 -0.10 0.00 0.00 28.75 29.94 3g6k h GLU 118 CO 0.16 0.22 0.09 -0.91 -1.16 0.00 0.00 179.01 177.41 3g6k h ASN 119 N 0.34 1.00 -0.54 1.42 2.35 -1.00 -2.05 115.58 117.09 3g6k h ASN 119 Ca 0.24 -0.27 -0.08 0.00 -0.55 0.00 0.00 56.30 55.64 3g6k h ASN 119 Cb 0.26 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3g6k h ASN 119 CO -0.25 1.01 0.04 0.15 -1.65 0.00 0.00 177.43 176.73 3g6k h PHE 120 N 0.95 1.04 -0.55 1.19 3.57 -0.52 -0.67 116.94 121.94 3g6k h PHE 120 Ca 0.19 -0.15 -0.03 0.00 3.53 0.00 0.00 57.97 61.50 3g6k h PHE 120 Cb 0.44 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 3g6k h PHE 120 CO 0.03 0.91 0.21 0.82 -2.23 0.00 0.00 178.31 178.05 3g6k h ILE 121 N 0.90 1.22 -0.44 1.41 2.04 -0.87 0.47 117.51 122.25 3g6k h ILE 121 Ca 0.17 -0.71 -0.05 0.00 1.00 0.00 0.00 64.86 65.27 3g6k h ILE 121 Cb 0.47 0.65 -0.02 0.00 -0.74 0.00 0.00 36.82 37.18 3g6k h ILE 121 CO 0.02 0.27 0.07 -0.33 0.00 0.00 0.00 178.15 178.18 3g6k h GLU 122 N 0.76 0.73 -0.15 2.37 4.39 -0.91 -0.47 114.58 121.31 3g6k h GLU 122 Ca 0.18 -0.20 -0.20 0.00 0.34 0.00 0.00 59.36 59.48 3g6k h GLU 122 Cb 0.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 3g6k h GLU 122 CO -0.01 0.76 -0.72 0.93 -1.16 0.00 0.00 179.01 178.81 3g6k h GLU 123 N 0.59 0.66 0.00 2.33 4.39 -0.94 -2.69 114.58 118.92 3g6k h GLU 123 Ca 0.13 -0.51 -0.07 0.00 0.34 0.00 0.00 59.36 59.25 3g6k h GLU 123 Cb 0.39 0.10 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 3g6k h GLU 123 CO 0.01 1.13 -0.32 1.79 -1.16 0.00 0.00 179.01 180.47 3g6k h THR 124 N 0.46 0.65 -0.83 1.13 1.35 -0.88 -1.96 112.91 112.83 3g6k h THR 124 Ca -0.03 -1.51 0.00 0.00 -0.55 0.00 0.00 66.41 64.31 3g6k h THR 124 Cb 1.32 2.01 -0.04 0.00 -1.73 0.00 0.00 68.15 69.72 3g6k h THR 124 CO 0.14 0.31 0.52 0.77 -0.25 0.00 0.00 175.52 177.01 3g6k h SER 125 N 0.00 0.98 0.08 5.36 4.64 -0.89 0.50 113.55 124.22 3g6k h SER 125 Ca -0.00 -0.04 -0.00 0.00 -0.47 0.00 0.00 61.79 61.27 3g6k h SER 125 Cb 0.99 -0.25 0.00 0.00 -0.31 0.00 0.00 62.40 62.83 3g6k h SER 125 CO 0.04 0.74 -0.04 -0.07 -0.87 0.00 0.00 176.83 176.63 3g6k h LEU 126 N 1.14 -0.09 -0.67 5.97 3.38 -1.23 -0.76 115.31 123.05 3g6k h LEU 126 Ca 0.30 -0.22 0.03 0.00 0.09 0.00 0.00 57.88 58.08 3g6k h LEU 126 Cb -0.08 0.02 -0.04 0.00 0.09 0.00 0.00 40.66 40.65 3g6k h LEU 126 CO -0.06 0.17 0.41 -0.09 0.09 0.00 0.00 178.44 178.96 3g6k h ARG 127 N -0.35 0.77 -0.68 1.13 2.43 -0.92 -2.77 114.38 113.99 3g6k h ARG 127 Ca -0.01 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.11 3g6k h ARG 127 Cb 0.30 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.68 3g6k h ARG 127 CO 0.02 0.51 0.00 0.66 -1.51 0.00 0.00 179.97 179.65 3g6k n TYR 128 N -4.70 0.90 -3.79 2.20 4.01 0.13 -4.58 117.16 111.34 3g6k n TYR 128 Ca 0.07 -0.45 -0.23 0.00 -0.16 0.00 0.00 57.90 57.13 3g6k n TYR 128 Cb 0.09 -0.00 0.01 0.00 -0.31 0.00 0.00 39.34 39.14 3g6k n TYR 128 CO 0.00 0.00 0.00 0.43 -0.46 0.00 0.00 176.86 176.83 3g6k n SER 129 N 1.47 -0.94 -4.76 7.72 7.64 -0.80 -4.73 113.62 119.23 3g6k n SER 129 Ca 0.23 -0.88 -0.40 0.00 1.01 0.00 0.00 58.87 58.83 3g6k n SER 129 Cb 0.57 -3.73 -0.06 0.00 -1.01 0.00 0.00 64.21 59.99 3g6k n SER 129 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g6k s LEU 130 N -6.78 4.58 -0.64 -3.43 1.43 -0.36 -0.49 118.68 112.99 3g6k s LEU 130 Ca 0.02 1.74 -0.17 0.00 -1.03 0.00 0.00 54.13 54.68 3g6k s LEU 130 Cb -0.01 -3.42 0.13 0.00 0.03 0.00 0.00 46.19 42.92 3g6k s LEU 130 CO 0.84 0.14 0.70 -0.55 0.23 0.00 0.00 176.35 177.71 3g6k s SER 131 N -0.89 6.31 -0.30 2.29 0.15 0.46 -4.75 113.70 116.96 3g6k s SER 131 Ca 0.39 -1.75 -0.15 0.00 0.70 0.00 0.00 55.95 55.14 3g6k s SER 131 Cb -0.24 -2.28 -0.03 0.00 -1.71 0.00 0.00 66.02 61.77 3g6k s SER 131 CO 0.28 -0.97 0.35 -0.22 1.20 0.00 0.00 173.24 173.87 3g6k s LEU 132 N 2.07 4.21 -0.15 3.45 2.96 -1.26 -1.23 118.68 128.73 3g6k s LEU 132 Ca 0.12 0.02 -0.18 0.00 -0.22 0.00 0.00 54.13 53.87 3g6k s LEU 132 Cb -0.22 -2.35 -0.04 0.00 0.50 0.00 0.00 46.19 44.08 3g6k s LEU 132 CO 0.02 -0.24 0.48 -0.47 -1.32 0.00 0.00 176.35 174.82 3g6k s TYR 133 N 2.01 3.46 -0.15 5.38 5.04 -0.17 -5.00 117.35 127.92 3g6k s TYR 133 Ca 0.13 0.82 0.01 0.00 -2.44 0.00 0.00 57.07 55.59 3g6k s TYR 133 Cb -0.16 -2.58 0.01 0.00 0.35 0.00 0.00 41.96 39.58 3g6k s TYR 133 CO 0.11 0.07 -0.18 -1.21 -1.34 0.00 0.00 175.55 173.00 3g6k s GLU 134 N 0.98 3.11 1.05 4.97 2.02 -1.26 -0.74 118.70 128.83 3g6k s GLU 134 Ca 0.25 -0.80 -0.12 0.00 0.02 0.00 0.00 54.97 54.31 3g6k s GLU 134 Cb -0.15 -2.55 0.22 0.00 0.10 0.00 0.00 34.13 31.75 3g6k s GLU 134 CO 0.10 -0.03 1.07 -1.54 0.02 0.00 0.00 175.26 174.88 3g6k s SER 135 N 0.89 2.05 -0.28 -0.19 1.04 -0.43 -4.91 113.70 111.86 3g6k s SER 135 Ca -0.05 1.41 -0.29 0.00 0.48 0.00 0.00 55.95 57.50 3g6k s SER 135 Cb -0.15 -2.11 -0.00 0.00 0.10 0.00 0.00 66.02 63.85 3g6k s SER 135 CO -0.02 -3.52 1.34 -0.62 0.98 0.00 0.00 173.24 171.40 3g6k s ASP 136 N -3.03 6.65 0.54 7.02 -1.08 -1.26 -4.14 116.67 121.36 3g6k s ASP 136 Ca 0.66 1.28 0.21 0.00 -0.52 0.00 0.00 52.55 54.19 3g6k s ASP 136 Cb -0.21 -2.54 1.40 0.00 -1.46 0.00 0.00 42.92 40.11 3g6k s ASP 136 CO 0.60 -1.09 2.11 -0.09 0.52 0.00 0.00 175.17 177.23 3g6k h ARG 137 N 9.42 0.00 0.00 4.34 2.43 -1.91 -2.76 114.38 125.90 3g6k h ARG 137 Ca -0.27 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.90 3g6k h ARG 137 Cb 1.10 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.65 3g6k h ARG 137 CO 1.03 0.00 -0.96 -0.25 -1.51 0.00 0.00 179.97 178.28 3g6k n ASP 138 N -4.35 0.63 -4.70 -3.80 8.00 -1.26 -2.67 116.55 108.39 3g6k n ASP 138 Ca 0.01 -0.16 -0.42 0.00 0.71 0.00 0.00 54.79 54.92 3g6k n ASP 138 Cb 0.25 0.69 -0.03 0.00 -0.02 0.00 0.00 41.12 42.01 3g6k n ASP 138 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 3g6k s LYS 139 N -3.19 4.40 -0.58 -1.24 2.20 -1.04 -4.95 119.74 115.34 3g6k s LYS 139 Ca 0.04 1.74 -0.28 0.00 -0.36 0.00 0.00 55.97 57.11 3g6k s LYS 139 Cb 0.14 -3.44 0.03 0.00 -1.51 0.00 0.00 37.83 33.05 3g6k s LYS 139 CO 0.79 -0.34 1.25 0.00 -0.36 0.00 0.00 175.35 176.69 3g6k s GLU 141 N 5.10 1.03 0.79 0.00 -1.05 -1.26 -5.14 118.70 118.16 3g6k s GLU 141 Ca 0.45 -0.12 -0.12 0.00 -0.15 0.00 0.00 54.97 55.04 3g6k s GLU 141 Cb -0.08 0.47 0.06 0.00 -0.44 0.00 0.00 34.13 34.14 3g6k s GLU 141 CO 0.25 -0.36 1.11 0.95 0.95 0.00 0.00 175.26 178.16 3g6k s THR 142 N -2.12 3.02 0.22 1.83 -4.23 -1.26 -4.85 115.64 108.25 3g6k s THR 142 Ca -0.07 0.33 -0.09 0.00 -1.18 0.00 0.00 61.69 60.68 3g6k s THR 142 Cb -0.01 -3.15 0.19 0.00 1.34 0.00 0.00 72.50 70.87 3g6k s THR 142 CO 0.01 -0.43 1.90 -0.03 -0.54 0.00 0.00 174.62 175.53 3g6k h MET 143 N -1.01 1.12 -0.74 3.99 4.05 -2.01 -0.42 114.93 119.90 3g6k h MET 143 Ca -0.47 -0.07 0.03 0.00 -0.28 0.00 0.00 59.70 58.91 3g6k h MET 143 Cb 1.27 -0.25 -0.04 0.00 -0.80 0.00 0.00 31.60 31.78 3g6k h MET 143 CO 0.61 0.74 0.47 0.00 0.23 0.00 0.00 176.91 178.96 3g6k h ALA 144 N 1.31 0.97 -0.46 0.39 0.00 -1.93 -0.72 119.26 118.82 3g6k h ALA 144 Ca 0.31 -0.03 -0.08 0.00 0.00 0.00 0.00 54.91 55.11 3g6k h ALA 144 Cb -0.13 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 17.39 3g6k h ALA 144 CO -0.07 0.27 -0.04 0.93 0.00 0.00 0.00 179.25 180.34 3g6k h GLU 145 N 0.93 0.78 -0.71 0.00 5.08 -1.75 0.25 114.58 119.15 3g6k h GLU 145 Ca 0.29 -0.23 -0.06 0.00 -1.00 0.00 0.00 59.36 58.37 3g6k h GLU 145 Cb -0.00 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.14 3g6k h GLU 145 CO -0.10 0.82 0.22 0.00 -1.00 0.00 0.00 179.01 178.94 3g6k h ALA 146 N 1.23 0.93 -0.10 3.43 0.00 -0.46 -2.05 119.26 122.25 3g6k h ALA 146 Ca 0.13 -0.23 -0.10 0.00 0.00 0.00 0.00 54.91 54.72 3g6k h ALA 146 Cb 0.50 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 18.01 3g6k h ALA 146 CO 0.03 0.62 -0.39 0.74 0.00 0.00 0.00 179.25 180.25 3g6k h PHE 147 N 1.05 0.24 -0.68 0.00 0.04 -0.82 -1.37 116.94 115.41 3g6k h PHE 147 Ca 0.23 -0.06 0.02 0.00 2.80 0.00 0.00 57.97 60.96 3g6k h PHE 147 Cb 0.31 -0.05 -0.04 0.00 2.20 0.00 0.00 35.95 38.37 3g6k h PHE 147 CO 0.03 0.57 0.43 1.49 -0.60 0.00 0.00 178.31 180.22 3g6k h GLU 148 N 0.17 0.83 -0.39 1.51 4.57 -0.44 0.22 114.58 121.06 3g6k h GLU 148 Ca 0.02 -0.05 -0.04 0.00 -1.18 0.00 0.00 59.36 58.11 3g6k h GLU 148 Cb 0.77 -0.19 -0.02 0.00 -0.16 0.00 0.00 28.75 29.15 3g6k h GLU 148 CO 0.06 0.55 0.10 1.15 -1.18 0.00 0.00 179.01 179.69 3g6k h THR 149 N 0.86 1.22 -0.60 0.32 2.02 -1.10 -1.58 112.91 114.05 3g6k h THR 149 Ca 0.26 -0.76 0.08 0.00 0.77 0.00 0.00 66.41 66.76 3g6k h THR 149 Cb -0.02 0.98 -0.06 0.00 -1.74 0.00 0.00 68.15 67.31 3g6k h THR 149 CO -0.09 0.26 0.26 0.15 0.37 0.00 0.00 175.52 176.47 3g6k h PHE 150 N 0.49 0.46 0.00 3.16 3.57 -0.88 -1.45 116.94 122.29 3g6k h PHE 150 Ca 0.12 0.03 -0.05 0.00 3.53 0.00 0.00 57.97 61.60 3g6k h PHE 150 Cb 0.30 -0.12 -0.01 0.00 2.79 0.00 0.00 35.95 38.91 3g6k h PHE 150 CO 0.02 0.16 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.93 3g6k h LEU 151 N 0.47 0.00 -0.71 0.59 -0.00 -0.63 0.17 115.31 115.20 3g6k h LEU 151 Ca 0.29 0.00 -0.11 0.00 -0.00 0.00 0.00 57.88 58.06 3g6k h LEU 151 Cb 0.30 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 40.95 3g6k h LEU 151 CO -0.26 0.26 -0.20 1.56 -0.00 0.00 0.00 178.44 179.80 3g6k h GLN 152 N 0.00 0.77 -0.20 1.13 4.20 -0.28 -2.34 115.11 118.40 3g6k h GLN 152 Ca -0.00 -0.30 -0.19 0.00 0.06 0.00 0.00 58.65 58.22 3g6k h GLN 152 Cb 0.57 -0.04 0.00 0.00 0.30 0.00 0.00 27.48 28.31 3g6k h GLN 152 CO 0.03 0.91 -0.63 0.28 -0.67 0.00 0.00 178.83 178.75 3g6k h VAL 153 N 0.68 1.30 -2.16 -0.54 2.07 -0.73 -3.37 116.25 113.50 3g6k h VAL 153 Ca 0.10 -1.87 -0.59 0.00 0.82 0.00 0.00 66.70 65.16 3g6k h VAL 153 Cb 0.71 1.82 -0.42 0.00 -1.52 0.00 0.00 31.29 31.88 3g6k h VAL 153 CO 0.05 0.59 -0.67 0.49 0.02 0.00 0.00 177.57 178.05 3g6k n PHE 154 N -3.95 3.06 0.33 1.57 3.72 -0.01 -4.93 117.46 117.25 3g6k n PHE 154 Ca -0.05 -4.07 0.06 0.00 -0.05 0.00 0.00 57.45 53.34 3g6k n PHE 154 Cb 0.66 -0.53 0.26 0.00 -0.94 0.00 0.00 39.48 38.94 3g6k n PHE 154 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 176.76 176.36 3g6k n PRO 155 N 0.92 0.03 0.01 -1.08 -0.04 -0.89 -1.39 135.00 132.56 3g6k n PRO 155 Ca 0.29 0.36 0.11 0.00 -0.04 0.00 0.00 63.50 64.22 3g6k n PRO 155 Cb 0.43 -1.57 0.49 0.00 -0.04 0.00 0.00 33.50 32.81 3g6k n PRO 155 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 3g6k n GLU 156 N -1.62 0.02 -1.90 0.54 0.00 -1.26 -4.83 120.64 111.58 3g6k n GLU 156 Ca 0.02 0.12 -0.42 0.00 0.00 0.00 0.00 57.16 56.88 3g6k n GLU 156 Cb 0.12 -1.52 -0.03 0.00 0.00 0.00 0.00 31.44 30.01 3g6k n GLU 156 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.13 178.12 3g6k s THR 157 N -3.01 2.77 -0.06 3.84 2.01 -0.49 -4.24 115.64 116.46 3g6k s THR 157 Ca 0.11 0.41 0.09 0.00 0.31 0.00 0.00 61.69 62.61 3g6k s THR 157 Cb 0.15 -3.26 -0.13 0.00 0.01 0.00 0.00 72.50 69.27 3g6k s THR 157 CO 0.43 0.01 0.11 0.29 -0.69 0.00 0.00 174.62 174.77 3g6k n LYS 158 N 4.81 1.59 -3.66 4.92 5.02 0.80 -4.96 118.16 126.69 3g6k n LYS 158 Ca 0.15 -0.04 -0.15 0.00 -2.02 0.00 0.00 58.31 56.25 3g6k n LYS 158 Cb 0.39 -1.23 -0.07 0.00 -0.02 0.00 0.00 35.03 34.10 3g6k n LYS 158 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3g6k s ALA 159 N -2.41 -1.22 -0.04 7.82 0.00 -0.58 -1.23 121.76 124.10 3g6k s ALA 159 Ca -0.04 0.78 0.02 0.00 0.00 0.00 0.00 51.96 52.71 3g6k s ALA 159 Cb 0.04 0.02 0.01 0.00 0.00 0.00 0.00 23.12 23.20 3g6k s ALA 159 CO 0.38 -0.31 -0.06 0.42 0.00 0.00 0.00 175.76 176.19 3g6k s ILE 160 N -1.23 0.62 0.13 0.00 1.01 -0.06 -1.58 121.20 120.08 3g6k s ILE 160 Ca -0.12 -0.21 -0.27 0.00 0.00 0.00 0.00 60.65 60.05 3g6k s ILE 160 Cb -0.03 -0.60 -0.07 0.00 0.01 0.00 0.00 42.46 41.77 3g6k s ILE 160 CO 0.07 0.23 0.83 -0.69 0.00 0.00 0.00 174.94 175.37 3g6k s VAL 161 N 0.62 4.46 -0.02 2.92 1.01 -0.01 -1.05 120.40 128.32 3g6k s VAL 161 Ca -0.09 1.79 0.01 0.00 0.00 0.00 0.00 61.98 63.69 3g6k s VAL 161 Cb -0.12 -4.19 0.02 0.00 0.00 0.00 0.00 36.38 32.09 3g6k s VAL 161 CO 0.01 0.44 -0.02 -0.63 0.00 0.00 0.00 175.10 174.89 3g6k s ILE 162 N -0.63 0.31 -0.21 2.22 1.01 0.15 -0.69 121.20 123.36 3g6k s ILE 162 Ca 0.39 -0.05 0.01 0.00 0.00 0.00 0.00 60.65 61.00 3g6k s ILE 162 Cb -0.23 -0.34 0.23 0.00 0.01 0.00 0.00 42.46 42.13 3g6k s ILE 162 CO 0.27 0.15 1.61 0.61 0.00 0.00 0.00 174.94 177.57 3g6k n GLY 163 N 3.74 3.30 3.77 6.18 0.00 -1.26 -4.32 105.19 116.59 3g6k n GLY 163 Ca -0.22 -0.61 -0.38 0.00 0.00 0.00 0.00 46.02 44.81 3g6k n GLY 163 CO 0.00 0.00 0.00 -1.50 0.00 0.00 0.00 173.32 171.82 3g6k s ILE 164 N -1.53 3.30 0.21 -0.61 2.07 -1.26 -4.47 121.20 118.92 3g6k s ILE 164 Ca 0.24 1.05 0.11 0.00 -1.41 0.00 0.00 60.65 60.64 3g6k s ILE 164 Cb 0.19 -3.57 -0.04 0.00 0.13 0.00 0.00 42.46 39.16 3g6k s ILE 164 CO 0.03 0.07 -0.18 -0.13 -1.91 0.00 0.00 174.94 172.81 3g6k s ARG 165 N -2.37 1.75 0.58 3.50 0.52 -1.26 -3.40 118.95 118.26 3g6k s ARG 165 Ca 0.58 -1.51 0.27 0.00 -0.52 0.00 0.00 55.73 54.55 3g6k s ARG 165 Cb -0.28 -1.93 1.65 0.00 0.52 0.00 0.00 34.95 34.91 3g6k s ARG 165 CO 0.35 0.39 2.16 0.45 0.02 0.00 0.00 175.30 178.67 3g6k h HIS 166 N 2.82 0.00 -0.01 -0.53 3.86 -1.19 -1.11 115.15 118.99 3g6k h HIS 166 Ca -0.45 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.76 3g6k h HIS 166 Cb 1.22 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.69 3g6k h HIS 166 CO 0.71 0.00 -0.10 0.25 0.86 0.00 0.00 177.93 179.65 3g6k n THR 167 N -3.95 0.00 -1.27 2.45 -2.24 -1.26 -2.62 114.28 105.39 3g6k n THR 167 Ca -0.00 -0.13 -0.31 0.00 -2.27 0.00 0.00 64.05 61.34 3g6k n THR 167 Cb 0.22 0.16 0.10 0.00 -2.10 0.00 0.00 70.33 68.70 3g6k n THR 167 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 3g6k s ASP 168 N -2.27 4.32 0.16 3.42 1.01 -0.42 -4.91 116.67 117.97 3g6k s ASP 168 Ca 0.33 1.73 -0.34 0.00 0.71 0.00 0.00 52.55 54.98 3g6k s ASP 168 Cb 0.20 -2.43 -0.14 0.00 1.01 0.00 0.00 42.92 41.56 3g6k s ASP 168 CO 0.43 -2.14 1.52 -2.65 0.21 0.00 0.00 175.17 172.54 3g6k n PRO 169 N -3.58 2.00 -1.36 8.23 -0.02 -1.26 -1.01 135.00 138.00 3g6k n PRO 169 Ca 0.09 0.72 -0.13 0.00 -2.02 0.00 0.00 63.50 62.16 3g6k n PRO 169 Cb 0.54 -2.46 -0.05 0.00 -0.02 0.00 0.00 33.50 31.50 3g6k n PRO 169 CO 0.00 0.00 0.00 1.19 1.98 0.00 0.00 175.50 178.67 3g6k n PHE 170 N 3.11 0.00 1.17 6.00 3.72 -1.26 -4.83 117.46 125.38 3g6k n PHE 170 Ca 0.16 0.00 0.12 0.00 -0.05 0.00 0.00 57.45 57.69 3g6k n PHE 170 Cb 0.28 -2.69 0.28 0.00 -0.94 0.00 0.00 39.48 36.41 3g6k n PHE 170 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3g6k n GLY 171 N -0.33 -0.51 0.35 1.37 0.00 -0.18 -4.70 105.19 101.20 3g6k n GLY 171 Ca -0.13 -0.46 0.01 0.00 0.00 0.00 0.00 46.02 45.45 3g6k n GLY 171 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 3g6k h GLU 172 N 1.39 1.01 0.00 1.61 9.09 -1.69 -2.78 114.58 123.21 3g6k h GLU 172 Ca 0.00 -0.06 -0.02 0.00 0.05 0.00 0.00 59.36 59.33 3g6k h GLU 172 Cb 0.56 -0.23 -0.04 0.00 -1.65 0.00 0.00 28.75 27.39 3g6k h GLU 172 CO 0.00 0.67 -0.33 0.72 0.05 0.00 0.00 179.01 180.12 3g6k n HIS 173 N -4.43 0.00 -0.64 2.06 8.25 -1.26 -4.92 115.22 114.29 3g6k n HIS 173 Ca 0.09 -0.98 -0.31 0.00 -0.26 0.00 0.00 57.72 56.27 3g6k n HIS 173 Cb 0.06 -0.17 0.19 0.00 1.12 0.00 0.00 29.99 31.19 3g6k n HIS 173 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g6k n LEU 174 N -0.95 2.18 -4.41 2.41 4.77 -1.05 -5.06 117.00 114.90 3g6k n LEU 174 Ca 0.14 0.30 -0.27 0.00 -0.03 0.00 0.00 56.01 56.14 3g6k n LEU 174 Cb 0.72 -1.42 -0.12 0.00 -2.33 0.00 0.00 43.42 40.27 3g6k n LEU 174 CO -0.01 -2.46 -0.54 -0.54 -1.33 0.00 0.00 177.39 172.51 3g6k s LYS 175 N -4.54 1.48 0.50 3.23 -0.14 -1.26 -5.04 119.74 113.97 3g6k s LYS 175 Ca 0.67 -1.49 0.15 0.00 -1.36 0.00 0.00 55.97 53.94 3g6k s LYS 175 Cb -0.23 -1.83 1.20 0.00 -1.68 0.00 0.00 37.83 35.28 3g6k s LYS 175 CO 0.60 0.40 2.13 -1.35 -0.76 0.00 0.00 175.35 176.37 3g6k h PRO 176 N 3.33 0.08 -3.23 -1.68 0.11 -1.92 -3.39 132.00 125.31 3g6k h PRO 176 Ca -0.47 -0.01 -0.45 0.00 0.11 0.00 0.00 66.00 65.19 3g6k h PRO 176 Cb 1.20 -0.02 -0.40 0.00 0.11 0.00 0.00 31.00 31.89 3g6k h PRO 176 CO 0.46 0.06 -0.75 0.42 -0.21 0.00 0.00 178.00 177.98 3g6k s ILE 177 N -5.11 0.03 0.04 4.15 1.01 -1.26 -0.15 121.20 119.91 3g6k s ILE 177 Ca -0.05 -0.08 -0.24 0.00 0.00 0.00 0.00 60.65 60.28 3g6k s ILE 177 Cb 0.17 -0.55 0.06 0.00 0.01 0.00 0.00 42.46 42.14 3g6k s ILE 177 CO 0.68 -0.14 0.55 0.00 0.00 0.00 0.00 174.94 176.04 3g6k s GLN 178 N 2.09 1.06 0.73 2.79 -2.07 -0.79 -5.00 119.66 118.47 3g6k s GLN 178 Ca 0.02 -0.16 -0.13 0.00 -1.82 0.00 0.00 55.36 53.27 3g6k s GLN 178 Cb -0.15 0.49 0.04 0.00 -1.09 0.00 0.00 33.01 32.29 3g6k s GLN 178 CO -0.07 -0.38 1.13 0.15 -1.32 0.00 0.00 175.29 174.80 3g6k s LYS 179 N -2.31 2.31 1.03 9.60 1.02 -1.26 0.04 119.74 130.17 3g6k s LYS 179 Ca -0.06 1.44 -0.11 0.00 0.02 0.00 0.00 55.97 57.26 3g6k s LYS 179 Cb -0.01 -1.88 0.21 0.00 -0.52 0.00 0.00 37.83 35.63 3g6k s LYS 179 CO -0.00 -1.64 1.10 0.95 -0.92 0.00 0.00 175.35 174.83 3g6k s THR 180 N -2.42 2.00 0.93 2.17 -4.23 -0.34 -4.69 115.64 109.06 3g6k s THR 180 Ca 0.67 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 61.06 3g6k s THR 180 Cb -0.22 -2.00 0.15 0.00 1.34 0.00 0.00 72.50 71.77 3g6k s THR 180 CO 0.48 -0.00 1.10 -1.81 -0.54 0.00 0.00 174.62 173.85 3g6k s ASP 181 N -2.54 3.21 0.51 3.99 1.01 -1.26 -4.94 116.67 116.65 3g6k s ASP 181 Ca 0.68 1.23 0.19 0.00 0.71 0.00 0.00 52.55 55.35 3g6k s ASP 181 Cb -0.24 -1.89 1.31 0.00 1.01 0.00 0.00 42.92 43.11 3g6k s ASP 181 CO 0.61 -2.77 2.12 0.00 0.21 0.00 0.00 175.17 175.34 3g6k h ALA 182 N -1.64 1.77 -0.03 5.23 0.00 -1.96 -2.06 119.26 120.57 3g6k h ALA 182 Ca -0.52 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.34 3g6k h ALA 182 Cb 1.31 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 19.09 3g6k h ALA 182 CO 0.58 0.08 0.00 0.27 0.00 0.00 0.00 179.25 180.18 3g6k n ASN 183 N -4.28 0.91 -4.91 0.00 6.94 -1.26 -4.85 115.26 107.81 3g6k n ASN 183 Ca -0.03 -1.36 -0.21 0.00 -0.02 0.00 0.00 54.58 52.97 3g6k n ASN 183 Cb 0.15 -0.01 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 3g6k n ASN 183 CO 0.00 0.00 0.00 0.26 -1.03 0.00 0.00 177.26 176.49 3g6k s TRP 184 N -1.97 3.12 0.72 -2.53 0.52 -0.77 -4.95 118.94 113.08 3g6k s TRP 184 Ca 0.40 -0.18 -0.16 0.00 0.02 0.00 0.00 56.10 56.18 3g6k s TRP 184 Cb 0.20 -1.72 0.01 0.00 -1.15 0.00 0.00 33.47 30.81 3g6k s TRP 184 CO 0.33 0.25 1.04 -0.35 0.02 0.00 0.00 176.95 178.24 3g6k n PRO 185 N -1.42 0.54 -2.87 4.98 -0.04 -1.26 -4.88 135.00 130.05 3g6k n PRO 185 Ca -0.04 0.24 -0.43 0.00 -0.04 0.00 0.00 63.50 63.23 3g6k n PRO 185 Cb 0.58 -2.29 -0.05 0.00 -0.04 0.00 0.00 33.50 31.71 3g6k n PRO 185 CO 0.00 0.00 0.00 0.34 -0.04 0.00 0.00 175.50 175.80 3g6k s ASP 186 N -1.67 6.47 0.27 3.54 2.15 -1.26 -4.75 116.67 121.42 3g6k s ASP 186 Ca 0.74 0.03 -0.19 0.00 0.43 0.00 0.00 52.55 53.57 3g6k s ASP 186 Cb -0.34 -2.43 0.02 0.00 -0.30 0.00 0.00 42.92 39.87 3g6k s ASP 186 CO 0.49 -1.00 0.67 0.72 -0.17 0.00 0.00 175.17 175.88 3g6k s PHE 187 N 3.57 -0.06 -0.01 -5.34 -0.71 -1.26 -4.97 117.98 109.20 3g6k s PHE 187 Ca 0.34 -0.38 -0.26 0.00 -1.04 0.00 0.00 56.93 55.60 3g6k s PHE 187 Cb -0.11 0.60 -0.04 0.00 -1.21 0.00 0.00 43.02 42.26 3g6k s PHE 187 CO 0.25 -1.19 0.79 0.71 -1.34 0.00 0.00 175.22 174.44 3g6k s TYR 188 N -3.91 3.66 -0.17 3.49 2.02 -0.37 -1.20 117.35 120.87 3g6k s TYR 188 Ca 0.14 1.44 -0.25 0.00 -0.37 0.00 0.00 57.07 58.03 3g6k s TYR 188 Cb -0.05 -2.89 -0.01 0.00 -0.40 0.00 0.00 41.96 38.61 3g6k s TYR 188 CO 0.08 0.13 0.85 1.03 -1.57 0.00 0.00 175.55 176.07 3g6k s ARG 189 N 0.52 4.29 -0.35 -0.62 0.52 0.11 -0.88 118.95 122.54 3g6k s ARG 189 Ca 0.41 1.04 -0.10 0.00 -0.52 0.00 0.00 55.73 56.56 3g6k s ARG 189 Cb -0.20 -3.58 0.02 0.00 0.52 0.00 0.00 34.95 31.71 3g6k s ARG 189 CO 0.22 -0.35 0.17 -0.51 0.02 0.00 0.00 175.30 174.85 3g6k s LEU 190 N 2.23 4.44 -0.57 2.53 1.43 -0.22 -1.89 118.68 126.64 3g6k s LEU 190 Ca 0.39 -0.85 0.06 0.00 -1.03 0.00 0.00 54.13 52.70 3g6k s LEU 190 Cb -0.16 -1.99 0.24 0.00 0.03 0.00 0.00 46.19 44.30 3g6k s LEU 190 CO 0.12 -0.31 0.63 0.00 0.23 0.00 0.00 176.35 177.02 3g6k n GLN 191 N 4.97 1.82 -0.06 1.70 6.02 0.78 -0.67 117.38 131.94 3g6k n GLN 191 Ca -0.13 -4.17 0.10 0.00 -0.01 0.00 0.00 57.00 52.79 3g6k n GLN 191 Cb 0.47 -1.94 0.41 0.00 1.02 0.00 0.00 30.24 30.20 3g6k n GLN 191 CO 0.00 0.00 0.00 -2.30 -1.01 0.00 0.00 177.06 173.75 3g6k n PRO 192 N 1.24 1.48 -0.15 -1.09 -0.02 -1.26 -3.71 135.00 131.49 3g6k n PRO 192 Ca 0.26 -0.73 0.06 0.00 -2.02 0.00 0.00 63.50 61.07 3g6k n PRO 192 Cb 0.44 -1.35 0.14 0.00 -0.02 0.00 0.00 33.50 32.71 3g6k n PRO 192 CO 0.00 0.00 0.00 -0.11 1.98 0.00 0.00 175.50 177.37 3g6k n LEU 193 N -0.04 2.77 -0.15 2.45 7.94 -1.26 -4.41 117.00 124.31 3g6k n LEU 193 Ca 0.15 -1.81 0.02 0.00 -1.11 0.00 0.00 56.01 53.27 3g6k n LEU 193 Cb 0.24 -0.20 0.31 0.00 0.53 0.00 0.00 43.42 44.31 3g6k n LEU 193 CO 0.12 0.67 1.21 -0.07 -1.11 0.00 0.00 177.39 178.21 3g6k h LEU 194 N 2.15 0.72 -0.51 -1.96 3.38 -1.63 -1.32 115.31 116.14 3g6k h LEU 194 Ca 0.00 -0.02 0.00 0.00 0.09 0.00 0.00 57.88 57.95 3g6k h LEU 194 Cb 0.69 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 41.27 3g6k h LEU 194 CO 0.00 0.51 0.00 0.00 0.09 0.00 0.00 178.44 179.04 3g6k n HIS 195 N -4.45 0.02 -2.73 1.13 1.44 -1.26 -0.84 115.22 108.53 3g6k n HIS 195 Ca 0.07 -0.01 -0.41 0.00 -2.01 0.00 0.00 57.72 55.36 3g6k n HIS 195 Cb 0.06 0.00 -0.04 0.00 0.12 0.00 0.00 29.99 30.13 3g6k n HIS 195 CO 0.00 0.00 0.00 -1.58 -2.81 0.00 0.00 176.34 171.95 3g6k s TRP 196 N -1.98 3.81 0.50 -1.40 0.52 -0.50 -5.01 118.94 114.88 3g6k s TRP 196 Ca 0.40 1.80 0.09 0.00 0.02 0.00 0.00 56.10 58.41 3g6k s TRP 196 Cb 0.20 -3.05 0.05 0.00 -1.15 0.00 0.00 33.47 29.52 3g6k s TRP 196 CO 0.33 0.21 0.66 0.54 0.02 0.00 0.00 176.95 178.71 3g6k s ASN 197 N -0.02 5.33 0.26 2.95 2.20 -1.26 -4.69 114.94 119.72 3g6k s ASN 197 Ca 0.47 -0.67 -0.05 0.00 -0.94 0.00 0.00 52.86 51.67 3g6k s ASN 197 Cb -0.23 -0.16 0.31 0.00 -2.00 0.00 0.00 41.25 39.17 3g6k s ASN 197 CO 0.30 -1.04 1.94 0.25 -2.94 0.00 0.00 177.10 175.60 3g6k h LEU 198 N 0.45 1.10 -0.95 3.54 5.85 -1.94 -1.70 115.31 121.65 3g6k h LEU 198 Ca -0.35 -0.03 -0.04 0.00 0.84 0.00 0.00 57.88 58.29 3g6k h LEU 198 Cb 1.28 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 42.01 3g6k h LEU 198 CO 0.44 0.80 0.24 0.00 -0.34 0.00 0.00 178.44 179.58 3g6k h ALA 199 N 1.40 1.16 -0.31 1.25 0.00 -1.86 -1.13 119.26 119.77 3g6k h ALA 199 Ca 0.35 -0.19 -0.03 0.00 0.00 0.00 0.00 54.91 55.04 3g6k h ALA 199 Cb -0.14 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.37 3g6k h ALA 199 CO -0.07 0.59 0.08 -0.91 0.00 0.00 0.00 179.25 178.94 3g6k h ASN 200 N 0.98 0.47 -0.06 0.00 -0.26 -1.70 -0.97 115.58 114.04 3g6k h ASN 200 Ca 0.22 -0.23 0.02 0.00 -0.56 0.00 0.00 56.30 55.76 3g6k h ASN 200 Cb 0.23 -0.12 -0.03 0.00 -1.06 0.00 0.00 38.32 37.34 3g6k h ASN 200 CO -0.01 0.57 -0.09 0.40 -1.06 0.00 0.00 177.43 177.24 3g6k h ILE 201 N 0.34 0.76 -0.50 2.81 1.08 -0.93 -1.91 117.51 119.16 3g6k h ILE 201 Ca 0.10 0.00 -0.11 0.00 -0.39 0.00 0.00 64.86 64.46 3g6k h ILE 201 Cb 0.29 0.76 -0.02 0.00 -3.07 0.00 0.00 36.82 34.78 3g6k h ILE 201 CO 0.00 0.00 -0.11 -0.50 -0.69 0.00 0.00 178.15 176.85 3g6k h TRP 202 N -0.12 1.08 -0.07 1.37 -0.00 -1.13 -0.63 115.95 116.44 3g6k h TRP 202 Ca 0.05 -0.23 0.02 0.00 -0.00 0.00 0.00 58.89 58.74 3g6k h TRP 202 Cb 0.20 -0.26 -0.02 0.00 -0.00 0.00 0.00 29.16 29.07 3g6k h TRP 202 CO -0.18 1.03 -0.06 1.03 -0.00 0.00 0.00 178.44 180.26 3g6k h SER 203 N 0.82 -0.18 -0.29 -3.49 0.87 -1.02 -0.33 113.55 109.93 3g6k h SER 203 Ca 0.13 0.04 -0.12 0.00 -1.23 0.00 0.00 61.79 60.61 3g6k h SER 203 Cb 0.67 0.09 -0.00 0.00 -0.44 0.00 0.00 62.40 62.72 3g6k h SER 203 CO 0.05 -0.08 -0.27 0.15 -0.53 0.00 0.00 176.83 176.15 3g6k h PHE 204 N -0.06 0.83 -0.46 2.24 3.57 -1.26 -1.79 116.94 120.00 3g6k h PHE 204 Ca 0.05 -0.25 -0.11 0.00 3.53 0.00 0.00 57.97 61.19 3g6k h PHE 204 Cb 0.14 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 38.68 3g6k h PHE 204 CO -0.16 0.99 -0.15 1.25 -2.23 0.00 0.00 178.31 178.00 3g6k h LEU 205 N 0.44 0.88 -0.38 0.59 5.85 -0.96 -1.00 115.31 120.74 3g6k h LEU 205 Ca 0.05 -0.30 -0.15 0.00 0.84 0.00 0.00 57.88 58.32 3g6k h LEU 205 Cb 0.84 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.62 3g6k h LEU 205 CO 0.07 1.03 -0.36 -0.07 -0.34 0.00 0.00 178.44 178.77 3g6k h LEU 206 N 0.78 0.98 -1.46 2.25 3.38 -1.05 -2.86 115.31 117.32 3g6k h LEU 206 Ca 0.12 -0.46 -0.05 0.00 0.09 0.00 0.00 57.88 57.58 3g6k h LEU 206 Cb 0.68 -0.27 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3g6k h LEU 206 CO 0.05 1.24 -0.16 0.22 0.09 0.00 0.00 178.44 179.88 3g6k h TYR 207 N 0.73 0.16 0.00 1.13 3.20 -1.06 -3.06 116.97 118.07 3g6k h TYR 207 Ca 0.06 -0.02 -0.01 0.00 3.14 0.00 0.00 58.73 61.90 3g6k h TYR 207 Cb 0.96 -0.05 -0.00 0.00 1.54 0.00 0.00 36.73 39.18 3g6k h TYR 207 CO 0.06 0.31 -0.05 0.66 -1.64 0.00 0.00 178.16 177.51 3g6k h SER 208 N 0.15 0.00 -1.75 -2.11 4.64 -0.94 0.06 113.55 113.60 3g6k h SER 208 Ca 0.03 0.00 -0.41 0.00 -0.47 0.00 0.00 61.79 60.94 3g6k h SER 208 Cb 0.37 0.00 -0.10 0.00 -0.31 0.00 0.00 62.40 62.36 3g6k h SER 208 CO 0.02 0.05 -0.43 -3.20 -0.87 0.00 0.00 176.83 172.41 3g6k n ASN 209 N -3.64 -5.55 -4.86 4.97 5.15 -1.16 -4.47 115.26 105.71 3g6k n ASN 209 Ca -0.02 0.28 -0.31 0.00 -0.60 0.00 0.00 54.58 53.92 3g6k n ASN 209 Cb 0.16 -4.71 -0.04 0.00 -0.53 0.00 0.00 39.78 34.65 3g6k n ASN 209 CO 0.00 0.00 0.00 -1.61 1.40 0.00 0.00 177.26 177.05 3g6k s GLU 210 N -4.24 3.91 0.34 1.20 0.41 -1.26 -4.92 118.70 114.13 3g6k s GLU 210 Ca 0.00 0.71 -0.29 0.00 -0.41 0.00 0.00 54.97 54.98 3g6k s GLU 210 Cb 0.00 -2.30 -0.11 0.00 -1.78 0.00 0.00 34.13 29.94 3g6k s GLU 210 CO 0.00 -0.08 1.46 -1.25 -0.49 0.00 0.00 175.26 174.90 3g6k s PRO 211 N -3.71 4.18 -0.00 0.39 0.04 -1.26 -5.00 135.00 129.64 3g6k s PRO 211 Ca 0.55 2.47 0.06 0.00 0.04 0.00 0.00 61.00 64.11 3g6k s PRO 211 Cb -0.10 -3.02 -0.03 0.00 0.04 0.00 0.00 34.50 31.40 3g6k s PRO 211 CO 0.27 -0.46 -0.16 0.42 0.04 0.00 0.00 177.00 177.11 3g6k s ILE 212 N -0.81 2.89 0.08 0.56 1.01 -1.26 -5.07 121.20 118.59 3g6k s ILE 212 Ca 0.54 -0.96 -0.36 0.00 0.00 0.00 0.00 60.65 59.87 3g6k s ILE 212 Cb -0.45 -2.17 -0.15 0.00 0.01 0.00 0.00 42.46 39.70 3g6k s ILE 212 CO 0.56 0.47 1.51 0.00 0.00 0.00 0.00 174.94 177.48 3g6k n GLU 214 N 3.44 0.09 -0.19 0.00 -0.58 -1.26 -1.91 120.64 120.22 3g6k n GLU 214 Ca 0.19 0.30 0.10 0.00 -0.42 0.00 0.00 57.16 57.32 3g6k n GLU 214 Cb 0.24 -1.66 0.39 0.00 -0.57 0.00 0.00 31.44 29.84 3g6k n GLU 214 CO 0.00 0.00 0.00 -0.07 -0.48 0.00 0.00 177.13 176.58 3g6k h LEU 215 N 0.00 0.60 -1.05 -4.62 3.38 -1.96 -1.73 115.31 109.93 3g6k h LEU 215 Ca 0.00 0.02 -0.08 0.00 0.09 0.00 0.00 57.88 57.91 3g6k h LEU 215 Cb 0.33 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.96 3g6k h LEU 215 CO 0.00 0.36 -0.16 1.88 0.09 0.00 0.00 178.44 180.61 3g6k h TYR 216 N 0.66 0.53 -0.09 1.13 0.05 -1.58 -1.56 116.97 116.12 3g6k h TYR 216 Ca 0.35 -0.09 0.03 0.00 0.05 0.00 0.00 58.73 59.07 3g6k h TYR 216 Cb 0.48 -0.14 -0.00 0.00 1.01 0.00 0.00 36.73 38.08 3g6k h TYR 216 CO -0.00 0.63 0.07 -0.09 -1.05 0.00 0.00 178.16 177.72 3g6k h ARG 217 N 0.45 0.00 -0.53 4.88 9.65 -1.48 0.12 114.38 127.46 3g6k h ARG 217 Ca 0.08 0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.96 3g6k h ARG 217 Cb 0.54 0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.12 3g6k h ARG 217 CO 0.03 0.00 0.00 0.66 2.80 0.00 0.00 179.97 183.46 3g6k n TYR 218 N -4.37 0.75 0.00 2.20 4.01 -0.61 -4.00 117.16 115.15 3g6k n TYR 218 Ca -0.01 -0.36 0.00 0.00 -0.16 0.00 0.00 57.90 57.37 3g6k n TYR 218 Cb 0.18 -0.03 0.00 0.00 -0.31 0.00 0.00 39.34 39.18 3g6k n TYR 218 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3g6k n GLY 219 N 1.25 0.75 3.77 2.72 0.00 -0.83 -4.65 105.19 108.20 3g6k n GLY 219 Ca 0.17 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.82 3g6k n GLY 219 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3g6k s PHE 220 N -2.00 3.24 0.00 1.61 0.08 -1.08 -1.11 117.98 118.71 3g6k s PHE 220 Ca 0.00 1.62 0.00 0.00 0.12 0.00 0.00 56.93 58.67 3g6k s PHE 220 Cb 0.00 -3.26 0.00 0.00 -0.57 0.00 0.00 43.02 39.19 3g6k s PHE 220 CO 0.00 -0.89 0.15 0.25 -0.10 0.00 0.00 175.22 174.63 3g6k n THR 221 N 0.18 0.00 -3.67 0.64 -2.24 -1.26 -3.87 114.28 104.06 3g6k n THR 221 Ca 0.04 -0.48 -0.09 0.00 -2.27 0.00 0.00 64.05 61.25 3g6k n THR 221 Cb 0.48 1.01 -0.09 0.00 -2.10 0.00 0.00 70.33 69.63 3g6k n THR 221 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 3g6k s SER 222 N -0.67 -0.75 -0.61 3.42 0.15 -1.25 -4.91 113.70 109.08 3g6k s SER 222 Ca 0.00 1.23 -0.10 0.00 0.70 0.00 0.00 55.95 57.78 3g6k s SER 222 Cb 0.00 1.11 0.16 0.00 -1.71 0.00 0.00 66.02 65.58 3g6k s SER 222 CO 0.00 -0.22 0.50 -0.76 1.20 0.00 0.00 173.24 173.96 3g6k s LEU 223 N 1.50 5.95 0.00 3.45 1.43 -1.26 -4.89 118.68 124.86 3g6k s LEU 223 Ca -0.10 -2.30 0.00 0.00 -1.03 0.00 0.00 54.13 50.70 3g6k s LEU 223 Cb -0.06 -2.06 0.00 0.00 0.03 0.00 0.00 46.19 44.10 3g6k s LEU 223 CO -0.16 -0.62 0.00 0.61 0.23 0.00 0.00 176.35 176.41 3g6k n GLY 224 N 4.40 1.52 3.90 -3.19 0.00 -1.26 -5.09 105.19 105.47 3g6k n GLY 224 Ca 0.00 -1.74 -0.29 0.00 0.00 0.00 0.00 46.02 44.00 3g6k n GLY 224 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3g6k s ASN 225 N -1.00 4.98 0.43 1.61 2.20 -1.26 -4.68 114.94 117.22 3g6k s ASN 225 Ca 0.00 0.86 0.18 0.00 -0.94 0.00 0.00 52.86 52.96 3g6k s ASN 225 Cb 0.00 -1.53 0.97 0.00 -2.00 0.00 0.00 41.25 38.69 3g6k s ASN 225 CO 0.00 -1.59 1.92 -0.37 -2.94 0.00 0.00 177.10 174.12 3g6k h VAL 226 N -0.78 1.01 0.24 3.54 -1.51 -1.17 -1.93 116.25 115.65 3g6k h VAL 226 Ca -0.45 -0.96 -0.34 0.00 -1.23 0.00 0.00 66.70 63.72 3g6k h VAL 226 Cb 1.29 1.55 0.04 0.00 -2.13 0.00 0.00 31.29 32.04 3g6k h VAL 226 CO 0.64 0.26 -1.46 -0.08 -1.23 0.00 0.00 177.57 175.70 3g6k h GLU 227 N 0.00 0.56 0.00 5.19 4.22 -1.93 -3.38 114.58 119.24 3g6k h GLU 227 Ca -0.00 -0.93 -0.04 0.00 0.08 0.00 0.00 59.36 58.48 3g6k h GLU 227 Cb 0.52 0.34 -0.01 0.00 0.50 0.00 0.00 28.75 30.11 3g6k h GLU 227 CO 0.03 1.44 -1.00 1.05 -2.18 0.00 0.00 179.01 178.36 3g6k h GLU 228 N 0.16 0.00 -5.64 1.92 4.11 -1.88 -3.44 114.58 109.81 3g6k h GLU 228 Ca -0.25 0.00 -0.59 0.00 0.07 0.00 0.00 59.36 58.59 3g6k h GLU 228 Cb 2.15 0.00 -0.09 0.00 0.50 0.00 0.00 28.75 31.31 3g6k h GLU 228 CO 0.27 0.07 -0.27 0.99 0.07 0.00 0.00 179.01 180.15 3g6k s THR 229 N -3.25 5.24 0.26 -1.06 2.01 -0.75 -0.59 115.64 117.50 3g6k s THR 229 Ca -0.00 0.67 0.06 0.00 0.31 0.00 0.00 61.69 62.73 3g6k s THR 229 Cb 0.09 -3.68 -0.06 0.00 0.01 0.00 0.00 72.50 68.87 3g6k s THR 229 CO 0.78 0.41 -0.06 -0.76 -0.69 0.00 0.00 174.62 174.31 3g6k s LEU 230 N 0.20 2.46 0.71 4.42 1.43 -0.35 -4.93 118.68 122.61 3g6k s LEU 230 Ca 0.20 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 51.97 3g6k s LEU 230 Cb -0.14 -0.60 0.01 0.00 0.03 0.00 0.00 46.19 45.50 3g6k s LEU 230 CO 0.07 -0.34 1.12 -2.65 0.23 0.00 0.00 176.35 174.78 3g6k n PRO 231 N -0.53 0.65 -2.17 1.29 -0.02 -1.26 -4.43 135.00 128.53 3g6k n PRO 231 Ca -0.06 0.28 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 3g6k n PRO 231 Cb 0.63 -2.37 -0.03 0.00 -0.02 0.00 0.00 33.50 31.72 3g6k n PRO 231 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 3g6k s ASN 232 N -1.64 6.80 0.57 2.55 3.84 -0.27 -4.52 114.94 122.28 3g6k s ASN 232 Ca 0.77 2.16 0.31 0.00 0.21 0.00 0.00 52.86 56.31 3g6k s ASN 232 Cb -0.35 -2.56 1.71 0.00 -0.55 0.00 0.00 41.25 39.50 3g6k s ASN 232 CO 0.47 -0.76 2.17 1.55 -2.79 0.00 0.00 177.10 177.74 3g6k h PRO 233 N 8.03 0.00 0.00 0.43 0.13 -1.89 -0.50 132.00 138.20 3g6k h PRO 233 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 3g6k h PRO 233 Cb 1.18 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.31 3g6k h PRO 233 CO 0.91 0.06 0.00 0.72 -0.23 0.00 0.00 178.00 179.46 3g6k n HIS 234 N -3.57 0.00 -0.21 1.56 8.25 -1.26 -2.39 115.22 117.59 3g6k n HIS 234 Ca -0.02 0.00 0.09 0.00 -0.26 0.00 0.00 57.72 57.53 3g6k n HIS 234 Cb 0.17 -0.47 0.24 0.00 1.12 0.00 0.00 29.99 31.05 3g6k n HIS 234 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3g6k n LEU 235 N -1.47 3.47 -4.74 2.41 4.77 -0.19 -4.98 117.00 116.25 3g6k n LEU 235 Ca 0.05 -1.93 -0.41 0.00 -0.03 0.00 0.00 56.01 53.69 3g6k n LEU 235 Cb 0.20 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.91 3g6k n LEU 235 CO 0.17 0.85 1.04 -0.60 -1.33 0.00 0.00 177.39 177.52 3g6k s ARG 236 N -1.04 4.33 0.25 3.23 3.52 -1.01 -0.72 118.95 127.52 3g6k s ARG 236 Ca 0.37 2.19 -0.30 0.00 -0.13 0.00 0.00 55.73 57.87 3g6k s ARG 236 Cb 0.20 -3.14 -0.09 0.00 -1.56 0.00 0.00 34.95 30.36 3g6k s ARG 236 CO 0.26 -0.32 1.00 0.15 -0.81 0.00 0.00 175.30 175.57 3g6k s LYS 237 N -0.43 4.78 -0.17 5.12 1.02 -0.03 -4.87 119.74 125.17 3g6k s LYS 237 Ca 0.57 1.60 -0.06 0.00 0.02 0.00 0.00 55.97 58.10 3g6k s LYS 237 Cb -0.39 -3.25 0.08 0.00 -0.52 0.00 0.00 37.83 33.75 3g6k s LYS 237 CO 0.42 0.41 0.34 0.34 -0.92 0.00 0.00 175.35 175.95 3g6k s ASP 238 N -1.07 0.05 0.41 2.83 2.15 -1.26 -4.75 116.67 115.02 3g6k s ASP 238 Ca 0.42 0.79 0.18 0.00 0.43 0.00 0.00 52.55 54.37 3g6k s ASP 238 Cb -0.28 1.04 1.10 0.00 -0.30 0.00 0.00 42.92 44.48 3g6k s ASP 238 CO 0.35 -0.24 1.82 0.11 -0.17 0.00 0.00 175.17 177.05 3g6k h LYS 239 N 8.23 0.39 -1.00 4.34 1.57 -2.00 -1.99 116.57 126.10 3g6k h LYS 239 Ca -0.15 -0.02 -0.40 0.00 -1.87 0.00 0.00 60.65 58.21 3g6k h LYS 239 Cb 1.11 -0.09 -0.24 0.00 0.08 0.00 0.00 32.23 33.10 3g6k h LYS 239 CO 0.13 0.26 0.51 0.09 -0.57 0.00 0.00 179.45 179.86 3g6k n ASN 240 N -4.54 3.62 -4.19 0.86 3.02 -1.26 -4.86 115.26 107.91 3g6k n ASN 240 Ca 0.21 -3.23 -0.12 0.00 -0.03 0.00 0.00 54.58 51.42 3g6k n ASN 240 Cb 0.77 -0.76 -0.10 0.00 -0.61 0.00 0.00 39.78 39.08 3g6k n ASN 240 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 3g6k s SER 241 N -0.76 1.34 0.18 6.41 0.15 -0.75 -5.12 113.70 115.15 3g6k s SER 241 Ca 0.44 -0.99 -0.32 0.00 0.70 0.00 0.00 55.95 55.78 3g6k s SER 241 Cb 0.37 0.06 -0.11 0.00 -1.71 0.00 0.00 66.02 64.62 3g6k s SER 241 CO 0.08 -0.41 1.74 0.28 1.20 0.00 0.00 173.24 176.13 3g6k s THR 242 N -3.41 2.23 0.47 6.45 -1.32 -1.26 -4.92 115.64 113.87 3g6k s THR 242 Ca 0.12 0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.43 3g6k s THR 242 Cb 0.04 -3.05 -0.08 0.00 -1.51 0.00 0.00 72.50 67.90 3g6k s THR 242 CO -0.03 0.00 1.42 -0.81 -2.21 0.00 0.00 174.62 172.99 3g6k n PRO 243 N 4.46 2.15 -2.48 7.08 -0.04 -1.26 -4.97 135.00 139.95 3g6k n PRO 243 Ca 0.16 0.77 -0.36 0.00 -0.04 0.00 0.00 63.50 64.03 3g6k n PRO 243 Cb 0.36 -2.62 -0.03 0.00 -0.04 0.00 0.00 33.50 31.18 3g6k n PRO 243 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3g6k s LEU 244 N -2.76 4.01 0.11 1.53 1.43 -1.26 -5.01 118.68 116.72 3g6k s LEU 244 Ca 0.63 2.06 -0.30 0.00 -1.03 0.00 0.00 54.13 55.49 3g6k s LEU 244 Cb -0.45 -4.32 -0.06 0.00 0.03 0.00 0.00 46.19 41.39 3g6k s LEU 244 CO 0.56 -0.69 1.02 -0.75 0.23 0.00 0.00 176.35 176.72 3g6k s LYS 245 N -2.79 4.62 -0.24 1.70 2.20 -1.26 -5.04 119.74 118.94 3g6k s LYS 245 Ca 0.62 1.54 -0.21 0.00 -0.36 0.00 0.00 55.97 57.57 3g6k s LYS 245 Cb -0.22 -3.36 -0.02 0.00 -1.51 0.00 0.00 37.83 32.72 3g6k s LYS 245 CO 0.27 0.09 0.63 -1.17 -0.36 0.00 0.00 175.35 174.81 3g6k s LEU 246 N 0.17 4.08 0.00 5.43 2.96 -1.26 -4.85 118.68 125.21 3g6k s LEU 246 Ca 0.49 0.75 0.27 0.00 -0.22 0.00 0.00 54.13 55.42 3g6k s LEU 246 Cb -0.25 -2.87 0.81 0.00 0.50 0.00 0.00 46.19 44.38 3g6k s LEU 246 CO 0.31 -0.35 1.60 0.59 -1.32 0.00 0.00 176.35 177.18 3g6k n ASN 247 N 5.54 1.00 -0.55 3.68 3.02 -1.26 -4.37 115.26 122.32 3g6k n ASN 247 Ca -0.01 -0.90 0.06 0.00 -0.03 0.00 0.00 54.58 53.71 3g6k n ASN 247 Cb 0.49 0.11 0.12 0.00 -0.61 0.00 0.00 39.78 39.89 3g6k n ASN 247 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 3g6k n PHE 248 N -0.63 0.00 -0.29 3.10 3.72 -1.26 -4.77 117.46 117.33 3g6k n PHE 248 Ca 0.13 -0.89 -0.03 0.00 -0.05 0.00 0.00 57.45 56.60 3g6k n PHE 248 Cb 0.34 -0.16 0.09 0.00 -0.94 0.00 0.00 39.48 38.81 3g6k n PHE 248 CO 0.00 0.00 0.00 1.49 -0.05 0.00 0.00 176.76 178.20 3g6k h GLU 249 N 0.48 1.00 -0.24 -1.08 4.81 -2.01 -2.02 114.58 115.52 3g6k h GLU 249 Ca -0.04 -0.06 -0.00 0.00 -0.13 0.00 0.00 59.36 59.13 3g6k h GLU 249 Cb 1.22 -0.23 -0.01 0.00 0.63 0.00 0.00 28.75 30.36 3g6k h GLU 249 CO 0.02 0.66 0.14 2.35 -0.73 0.00 0.00 179.01 181.45 3g6k h TRP 250 N 1.03 0.32 -0.78 0.92 7.01 -1.95 -1.03 115.95 121.47 3g6k h TRP 250 Ca 0.31 -0.00 -0.01 0.00 2.11 0.00 0.00 58.89 61.29 3g6k h TRP 250 Cb -0.04 -0.10 -0.04 0.00 -2.10 0.00 0.00 29.16 26.88 3g6k h TRP 250 CO -0.02 0.24 0.43 0.93 -2.79 0.00 0.00 178.44 177.23 3g6k h GLU 251 N 0.30 1.09 -0.22 2.65 3.07 -1.85 0.14 114.58 119.76 3g6k h GLU 251 Ca 0.09 -0.13 -0.03 0.00 -0.50 0.00 0.00 59.36 58.79 3g6k h GLU 251 Cb 0.02 -0.21 -0.01 0.00 -0.84 0.00 0.00 28.75 27.71 3g6k h GLU 251 CO -0.02 0.80 0.03 0.82 -1.40 0.00 0.00 179.01 179.25 3g6k h ILE 252 N 1.08 1.23 0.00 3.13 2.04 -1.14 -1.70 117.51 122.14 3g6k h ILE 252 Ca 0.27 -0.75 -0.09 0.00 1.00 0.00 0.00 64.86 65.30 3g6k h ILE 252 Cb 0.03 1.31 -0.01 0.00 -0.74 0.00 0.00 36.82 37.41 3g6k h ILE 252 CO -0.04 0.23 -0.41 -0.33 0.00 0.00 0.00 178.15 177.60 3g6k h GLU 253 N 0.16 0.00 -0.36 2.37 5.08 -0.83 -3.01 114.58 117.98 3g6k h GLU 253 Ca 0.07 0.00 -0.11 0.00 -1.00 0.00 0.00 59.36 58.32 3g6k h GLU 253 Cb 0.32 0.00 -0.06 0.00 0.50 0.00 0.00 28.75 29.51 3g6k h GLU 253 CO 0.00 0.41 0.02 0.09 -1.00 0.00 0.00 179.01 178.53 3g6k n ASN 254 N -3.70 3.40 -4.72 1.42 4.13 0.46 -5.05 115.26 111.19 3g6k n ASN 254 Ca -0.01 -3.35 -0.34 0.00 1.68 0.00 0.00 54.58 52.57 3g6k n ASN 254 Cb 0.49 -0.61 0.10 0.00 -1.54 0.00 0.00 39.78 38.22 3g6k n ASN 254 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3g6k s ARG 255 N -3.02 2.07 0.08 3.52 1.70 -0.65 -4.82 118.95 117.82 3g6k s ARG 255 Ca 0.45 1.67 -0.31 0.00 -0.47 0.00 0.00 55.73 57.07 3g6k s ARG 255 Cb 0.38 -1.83 -0.09 0.00 -0.57 0.00 0.00 34.95 32.84 3g6k s ARG 255 CO 0.06 -1.87 1.72 -0.47 -1.08 0.00 0.00 175.30 173.65 3g6k s TYR 256 N -2.14 2.29 0.38 5.89 5.04 0.01 -4.93 117.35 123.88 3g6k s TYR 256 Ca 0.72 0.19 -0.24 0.00 -2.44 0.00 0.00 57.07 55.30 3g6k s TYR 256 Cb -0.27 -4.04 -0.10 0.00 0.35 0.00 0.00 41.96 37.91 3g6k s TYR 256 CO 0.47 -4.22 0.99 0.15 -1.34 0.00 0.00 175.55 171.60 3g6k s LYS 257 N 2.77 4.32 0.37 4.97 1.02 -1.26 -4.62 119.74 127.31 3g6k s LYS 257 Ca 0.76 1.37 0.08 0.00 0.02 0.00 0.00 55.97 58.20 3g6k s LYS 257 Cb -0.42 -2.55 -0.02 0.00 -0.52 0.00 0.00 37.83 34.32 3g6k s LYS 257 CO 0.34 0.02 0.35 -1.01 -0.92 0.00 0.00 175.35 174.13 3g6k s HIS 258 N -1.75 2.84 0.00 3.18 3.76 -1.26 -5.07 115.29 116.99 3g6k s HIS 258 Ca 0.56 -0.37 0.00 0.00 -0.15 0.00 0.00 55.06 55.10 3g6k s HIS 258 Cb -0.18 -1.98 0.00 0.00 1.11 0.00 0.00 32.58 31.53 3g6k s HIS 258 CO 0.23 0.03 0.00 0.27 -0.85 0.00 0.00 174.74 174.42 3g6k n ASN 259 N -1.48 1.50 0.20 1.40 0.23 -1.26 -4.89 115.26 110.96 3g6k n ASN 259 Ca 0.01 -0.64 0.04 0.00 -0.53 0.00 0.00 54.58 53.47 3g6k n ASN 259 Cb 0.60 0.00 0.41 0.00 -2.08 0.00 0.00 39.78 38.71 3g6k n ASN 259 CO 0.00 0.00 0.00 -0.33 -0.93 0.00 0.00 177.26 176.00 3g6k h GLU 260 N 0.00 0.00 -0.04 -3.83 4.39 -2.01 -1.17 114.58 111.93 3g6k h GLU 260 Ca 0.00 0.00 -0.23 0.00 0.34 0.00 0.00 59.36 59.47 3g6k h GLU 260 Cb 0.00 0.00 0.02 0.00 -0.10 0.00 0.00 28.75 28.67 3g6k h GLU 260 CO 0.00 0.33 -0.88 0.28 -1.16 0.00 0.00 179.01 177.58 3g6k h VAL 261 N 0.00 1.31 -0.01 3.13 2.07 -1.96 -1.43 116.25 119.36 3g6k h VAL 261 Ca -0.00 -2.14 0.00 0.00 0.82 0.00 0.00 66.70 65.38 3g6k h VAL 261 Cb 0.64 2.33 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 3g6k h VAL 261 CO 0.04 0.66 -0.55 0.35 0.02 0.00 0.00 177.57 178.09 3g6k n THR 262 N -3.96 0.00 -1.67 2.57 -2.24 -1.07 -4.63 114.28 103.27 3g6k n THR 262 Ca -0.10 -0.20 -0.42 0.00 -2.27 0.00 0.00 64.05 61.06 3g6k n THR 262 Cb 0.80 1.12 0.01 0.00 -2.10 0.00 0.00 70.33 70.15 3g6k n THR 262 CO 0.00 0.00 0.00 1.17 -0.57 0.00 0.00 175.07 175.67 3g6k n LYS 263 N -0.36 1.81 -4.01 -0.78 4.81 -0.46 -4.78 118.16 114.39 3g6k n LYS 263 Ca 0.09 0.64 -0.35 0.00 -0.87 0.00 0.00 58.31 57.82 3g6k n LYS 263 Cb 0.43 -2.26 -0.09 0.00 0.02 0.00 0.00 35.03 33.14 3g6k n LYS 263 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 3g6k s ALA 264 N -1.18 3.51 0.28 3.14 0.00 -1.26 -4.52 121.76 121.73 3g6k s ALA 264 Ca 0.60 -0.73 -0.29 0.00 0.00 0.00 0.00 51.96 51.54 3g6k s ALA 264 Cb -0.55 -1.89 -0.09 0.00 0.00 0.00 0.00 23.12 20.59 3g6k s ALA 264 CO 0.59 0.33 1.07 -1.21 0.00 0.00 0.00 175.76 176.53 3g6k s GLU 265 N -0.11 4.67 0.42 0.00 0.41 -1.26 -5.00 118.70 117.83 3g6k s GLU 265 Ca 0.07 1.73 -0.27 0.00 -0.41 0.00 0.00 54.97 56.10 3g6k s GLU 265 Cb -0.12 -3.19 -0.10 0.00 -1.78 0.00 0.00 34.13 28.95 3g6k s GLU 265 CO 0.01 0.26 1.47 -2.14 -0.49 0.00 0.00 175.26 174.37 3g6k s PRO 266 N -1.43 3.88 -0.47 0.39 0.02 -1.26 -4.94 135.00 131.19 3g6k s PRO 266 Ca 0.44 2.51 0.04 0.00 0.02 0.00 0.00 61.00 64.01 3g6k s PRO 266 Cb -0.30 -2.80 0.12 0.00 0.02 0.00 0.00 34.50 31.54 3g6k s PRO 266 CO 0.39 -0.70 0.21 0.42 -0.33 0.00 0.00 177.00 176.98 3g6k s ILE 267 N -1.16 2.36 0.61 2.83 1.01 -1.26 -5.11 121.20 120.47 3g6k s ILE 267 Ca 0.57 -2.98 -0.15 0.00 0.00 0.00 0.00 60.65 58.09 3g6k s ILE 267 Cb -0.45 -2.66 -0.03 0.00 0.01 0.00 0.00 42.46 39.32 3g6k s ILE 267 CO 0.60 -0.76 1.06 -2.16 0.00 0.00 0.00 174.94 173.68 3g6k s PRO 268 N 0.09 3.23 0.45 2.79 0.04 -1.26 -4.57 135.00 135.76 3g6k s PRO 268 Ca 0.16 1.20 -0.24 0.00 0.04 0.00 0.00 61.00 62.16 3g6k s PRO 268 Cb -0.24 -2.02 -0.09 0.00 0.04 0.00 0.00 34.50 32.19 3g6k s PRO 268 CO -0.02 -0.89 1.07 1.51 0.04 0.00 0.00 177.00 178.71 3g6k n ILE 269 N -2.17 2.66 -2.40 0.56 3.06 -1.26 -4.89 119.36 114.91 3g6k n ILE 269 Ca 0.09 -0.50 -0.37 0.00 -2.50 0.00 0.00 62.75 59.46 3g6k n ILE 269 Cb 0.53 -1.26 -0.03 0.00 0.54 0.00 0.00 39.64 39.42 3g6k n ILE 269 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 3g6k s ALA 270 N -1.29 3.10 0.32 1.51 0.00 -1.26 -4.91 121.76 119.24 3g6k s ALA 270 Ca 0.64 0.84 0.03 0.00 0.00 0.00 0.00 51.96 53.48 3g6k s ALA 270 Cb -0.52 -3.33 0.62 0.00 0.00 0.00 0.00 23.12 19.89 3g6k s ALA 270 CO 0.56 -0.40 1.91 -0.44 0.00 0.00 0.00 175.76 177.39 3g6k h ASP 271 N 2.53 0.81 0.39 0.00 3.45 -1.99 -1.14 116.42 120.47 3g6k h ASP 271 Ca -0.49 0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.90 3g6k h ASP 271 Cb 1.23 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.83 3g6k h ASP 271 CO 0.62 0.50 -0.40 1.05 -1.57 0.00 0.00 179.24 179.45 3g6k h GLU 272 N 0.91 0.02 0.05 3.56 4.11 -2.00 -1.27 114.58 119.96 3g6k h GLU 272 Ca 0.38 -0.01 -0.25 0.00 0.07 0.00 0.00 59.36 59.56 3g6k h GLU 272 Cb 0.30 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 3g6k h GLU 272 CO -0.15 0.41 -1.22 -0.44 0.07 0.00 0.00 179.01 177.68 3g6k h ASP 273 N 0.01 0.17 -0.60 3.06 3.32 -1.65 -2.96 116.42 117.78 3g6k h ASP 273 Ca -0.00 -0.20 -0.07 0.00 0.02 0.00 0.00 57.03 56.78 3g6k h ASP 273 Cb 0.71 -0.06 -0.02 0.00 0.22 0.00 0.00 39.33 40.18 3g6k h ASP 273 CO 0.05 1.16 0.12 0.25 -1.72 0.00 0.00 179.24 179.10 3g6k h LEU 274 N 0.03 0.94 -0.31 1.55 5.85 -0.90 -0.43 115.31 122.05 3g6k h LEU 274 Ca -0.11 -0.25 0.05 0.00 0.84 0.00 0.00 57.88 58.41 3g6k h LEU 274 Cb 1.89 -0.25 -0.04 0.00 0.37 0.00 0.00 40.66 42.63 3g6k h LEU 274 CO 0.15 0.95 0.05 0.58 -0.34 0.00 0.00 178.44 179.83 3g6k h VAL 275 N 0.89 0.84 -0.06 1.05 2.07 -1.28 0.19 116.25 119.94 3g6k h VAL 275 Ca 0.18 -0.05 0.01 0.00 0.82 0.00 0.00 66.70 67.66 3g6k h VAL 275 Cb 0.40 0.67 -0.01 0.00 -1.52 0.00 0.00 31.29 30.82 3g6k h VAL 275 CO 0.01 0.03 -0.02 0.50 0.02 0.00 0.00 177.57 178.10 3g6k h LYS 276 N 0.16 -0.01 -0.39 1.57 3.64 -1.29 -2.71 116.57 117.54 3g6k h LYS 276 Ca 0.14 0.00 -0.16 0.00 -1.27 0.00 0.00 60.65 59.37 3g6k h LYS 276 Cb 0.16 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 31.98 3g6k h LYS 276 CO -0.20 -0.01 -0.38 0.82 -2.27 0.00 0.00 179.45 177.42 3g6k h ILE 277 N -0.01 1.27 0.00 2.00 2.04 -0.64 -2.87 117.51 119.29 3g6k h ILE 277 Ca 0.03 -1.55 0.00 0.00 1.00 0.00 0.00 64.86 64.34 3g6k h ILE 277 Cb 0.06 1.36 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 3g6k h ILE 277 CO -0.07 0.52 0.00 -0.62 0.00 0.00 0.00 178.15 177.98 3g6k n GLU 278 N -4.06 0.11 -0.32 2.37 1.02 0.01 -2.23 120.64 117.54 3g6k n GLU 278 Ca -0.02 0.31 0.08 0.00 -0.02 0.00 0.00 57.16 57.51 3g6k n GLU 278 Cb 0.54 -1.69 0.24 0.00 -0.02 0.00 0.00 31.44 30.51 3g6k n GLU 278 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3g6k n ASN 279 N -1.90 3.55 0.26 1.62 5.03 -1.03 -4.23 115.26 118.58 3g6k n ASN 279 Ca 0.03 -2.17 0.14 0.00 0.87 0.00 0.00 54.58 53.46 3g6k n ASN 279 Cb 0.23 -0.38 0.66 0.00 -1.02 0.00 0.00 39.78 39.27 3g6k n ASN 279 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 3g6k h LEU 280 N 2.87 0.00 1.52 3.41 3.38 -1.42 -3.47 115.31 121.60 3g6k h LEU 280 Ca 0.00 0.00 -0.30 0.00 0.09 0.00 0.00 57.88 57.67 3g6k h LEU 280 Cb 0.97 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.69 3g6k h LEU 280 CO 0.06 0.11 -0.43 1.41 0.09 0.00 0.00 178.44 179.68 3g6k n HIS 281 N -3.32 -1.65 -4.08 1.13 8.25 -1.26 -4.95 115.22 109.34 3g6k n HIS 281 Ca -0.00 0.24 -0.10 0.00 -0.26 0.00 0.00 57.72 57.60 3g6k n HIS 281 Cb 0.31 -2.84 -0.11 0.00 1.12 0.00 0.00 29.99 28.48 3g6k n HIS 281 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 3g6k s GLU 282 N -5.52 0.57 0.21 -0.41 0.41 -1.26 -5.17 118.70 107.53 3g6k s GLU 282 Ca 0.20 -1.00 0.11 0.00 -0.41 0.00 0.00 54.97 53.88 3g6k s GLU 282 Cb -0.10 -0.02 -0.05 0.00 -1.78 0.00 0.00 34.13 32.18 3g6k s GLU 282 CO 0.25 -0.04 -0.20 0.34 -0.49 0.00 0.00 175.26 175.12 3g6k s ASP 283 N -2.30 3.62 0.02 -0.19 2.15 -1.26 -5.00 116.67 113.71 3g6k s ASP 283 Ca -0.01 -0.85 0.03 0.00 0.43 0.00 0.00 52.55 52.14 3g6k s ASP 283 Cb -0.01 -0.35 -0.01 0.00 -0.30 0.00 0.00 42.92 42.24 3g6k s ASP 283 CO -0.04 0.10 -0.09 -0.31 -0.17 0.00 0.00 175.17 174.66 3g6k s TYR 284 N -1.88 0.76 0.71 -5.34 2.02 -1.26 -0.85 117.35 111.52 3g6k s TYR 284 Ca 0.24 -0.28 -0.16 0.00 -0.37 0.00 0.00 57.07 56.50 3g6k s TYR 284 Cb -0.07 -0.46 0.03 0.00 -0.40 0.00 0.00 41.96 41.05 3g6k s TYR 284 CO 0.12 -0.02 1.22 0.71 -1.57 0.00 0.00 175.55 176.01 3g6k s TYR 285 N -0.69 2.05 0.91 2.71 2.02 0.11 -4.64 117.35 119.82 3g6k s TYR 285 Ca -0.02 1.58 -0.11 0.00 -0.37 0.00 0.00 57.07 58.15 3g6k s TYR 285 Cb -0.06 -3.52 0.14 0.00 -0.40 0.00 0.00 41.96 38.12 3g6k s TYR 285 CO 0.00 -2.67 1.10 -1.25 -1.57 0.00 0.00 175.55 171.16 3g6k s PRO 286 N -3.79 1.10 0.55 -1.71 0.04 -1.26 -3.63 135.00 126.31 3g6k s PRO 286 Ca 0.76 1.14 0.23 0.00 0.04 0.00 0.00 61.00 63.17 3g6k s PRO 286 Cb -0.31 -1.77 1.52 0.00 0.04 0.00 0.00 34.50 33.99 3g6k s PRO 286 CO 0.44 -2.44 2.19 0.78 0.04 0.00 0.00 177.00 178.01 3g6k h GLY 287 N -1.71 0.00 0.77 0.56 0.00 -0.90 -1.02 103.07 100.76 3g6k h GLY 287 Ca -0.48 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.85 3g6k h GLY 287 CO 0.49 0.00 0.00 -2.67 0.00 0.00 0.00 176.54 174.36 3g6k n TRP 288 N -4.18 0.00 1.50 5.60 2.14 -1.26 -1.11 117.44 120.13 3g6k n TRP 288 Ca -0.03 0.00 0.14 0.00 2.07 0.00 0.00 57.50 59.69 3g6k n TRP 288 Cb 0.10 0.00 0.66 0.00 -0.81 0.00 0.00 31.31 31.26 3g6k n TRP 288 CO 0.00 0.00 0.00 0.66 2.07 0.00 0.00 177.69 180.42 3g6k n TYR 289 N -0.88 0.00 -3.75 -2.67 4.02 -0.39 -4.69 117.16 108.81 3g6k n TYR 289 Ca 0.10 0.00 -0.37 0.00 -0.01 0.00 0.00 57.90 57.63 3g6k n TYR 289 Cb 0.05 -0.15 -0.11 0.00 -0.02 0.00 0.00 39.34 39.10 3g6k n TYR 289 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 176.86 174.68 3g6k s LEU 290 N -2.38 3.72 0.00 7.72 2.96 -0.26 -4.88 118.68 125.55 3g6k s LEU 290 Ca 0.32 -0.08 0.00 0.00 -0.22 0.00 0.00 54.13 54.16 3g6k s LEU 290 Cb 0.20 -2.00 0.00 0.00 0.50 0.00 0.00 46.19 44.89 3g6k s LEU 290 CO 0.45 0.00 0.39 1.33 -1.32 0.00 0.00 176.35 177.20 3g6k n VAL 291 N 4.67 0.00 -2.86 1.68 0.24 -1.26 -4.77 118.33 116.04 3g6k n VAL 291 Ca -0.15 -0.49 -0.43 0.00 -2.04 0.00 0.00 64.34 61.23 3g6k n VAL 291 Cb 0.52 1.02 -0.04 0.00 -1.47 0.00 0.00 33.84 33.87 3g6k n VAL 291 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 3g6k s ASP 292 N -0.20 6.29 0.45 -1.34 -1.08 -1.26 -4.47 116.67 115.07 3g6k s ASP 292 Ca 0.00 -0.52 0.19 0.00 -0.52 0.00 0.00 52.55 51.70 3g6k s ASP 292 Cb 0.00 -2.42 1.15 0.00 -1.46 0.00 0.00 42.92 40.19 3g6k s ASP 292 CO 0.00 -1.26 1.91 0.44 0.52 0.00 0.00 175.17 176.78 3g6k h ASP 293 N 9.35 0.30 0.28 -0.34 3.32 -2.00 -0.86 116.42 126.47 3g6k h ASP 293 Ca -0.27 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 56.80 3g6k h ASP 293 Cb 1.07 -0.04 -0.00 0.00 0.22 0.00 0.00 39.33 40.59 3g6k h ASP 293 CO 1.10 0.14 -0.02 0.11 -1.72 0.00 0.00 179.24 178.85 3g6k h LYS 294 N 0.32 0.00 -0.29 3.56 1.57 -1.96 -2.37 116.57 117.39 3g6k h LYS 294 Ca 0.39 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.17 3g6k h LYS 294 Cb 1.07 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.38 3g6k h LYS 294 CO -0.11 0.02 0.00 1.28 -0.57 0.00 0.00 179.45 180.07 3g6k n LEU 295 N -3.24 3.08 -0.17 2.94 4.77 -0.33 -4.64 117.00 119.41 3g6k n LEU 295 Ca -0.02 -1.46 0.08 0.00 -0.03 0.00 0.00 56.01 54.58 3g6k n LEU 295 Cb 0.15 -0.19 0.38 0.00 -2.33 0.00 0.00 43.42 41.44 3g6k n LEU 295 CO 0.24 0.66 1.21 -0.08 -1.33 0.00 0.00 177.39 178.09 3g6k h GLU 296 N 3.70 0.66 -0.56 3.23 4.81 -1.47 -1.70 114.58 123.24 3g6k h GLU 296 Ca 0.00 -0.04 0.00 0.00 -0.13 0.00 0.00 59.36 59.19 3g6k h GLU 296 Cb 0.86 -0.15 0.00 0.00 0.63 0.00 0.00 28.75 30.09 3g6k h GLU 296 CO 0.00 0.44 0.00 0.54 -0.73 0.00 0.00 179.01 179.26 3g6k n ARG 297 N -4.49 4.41 0.27 1.92 1.74 -1.26 -3.95 116.66 115.30 3g6k n ARG 297 Ca 0.11 -3.06 0.16 0.00 -0.77 0.00 0.00 57.85 54.29 3g6k n ARG 297 Cb 0.28 -2.13 0.68 0.00 -1.02 0.00 0.00 32.46 30.28 3g6k n ARG 297 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3g6k h ALA 298 N 3.79 1.03 -0.52 7.54 0.00 -1.63 -3.36 119.26 126.11 3g6k h ALA 298 Ca 0.00 -0.06 -0.67 0.00 0.00 0.00 0.00 54.91 54.19 3g6k h ALA 298 Cb 1.79 -0.01 -0.06 0.00 0.00 0.00 0.00 17.79 19.51 3g6k h ALA 298 CO 0.40 0.08 2.44 0.41 0.00 0.00 0.00 179.25 182.58 3g6k n GLY 299 N -0.10 3.07 2.96 0.00 0.00 -1.26 -4.63 105.19 105.24 3g6k n GLY 299 Ca -0.00 -1.45 -0.11 0.00 0.00 0.00 0.00 46.02 44.46 3g6k n GLY 299 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3g6k s ARG 300 N 4.08 0.20 0.38 1.61 1.81 -1.26 -1.21 118.95 124.56 3g6k s ARG 300 Ca 0.53 -0.25 -0.27 0.00 -1.72 0.00 0.00 55.73 54.02 3g6k s ARG 300 Cb 0.07 0.08 -0.10 0.00 -0.45 0.00 0.00 34.95 34.55 3g6k s ARG 300 CO 0.03 -0.04 1.37 0.42 -0.68 0.00 0.00 175.30 176.41 3g6k s ILE 301 N -0.70 2.42 0.07 1.52 -1.09 0.24 -4.88 121.20 118.77 3g6k s ILE 301 Ca -0.08 0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 58.44 3g6k s ILE 301 Cb -0.05 -3.25 -0.05 0.00 -1.58 0.00 0.00 42.46 37.53 3g6k s ILE 301 CO -0.00 0.08 1.10 -0.75 -1.23 0.00 0.00 174.94 174.14 3g6k s LYS 302 N -2.10 4.52 0.11 2.79 2.20 -1.26 -5.03 119.74 120.97 3g6k s LYS 302 Ca 0.54 1.63 0.05 0.00 -0.36 0.00 0.00 55.97 57.83 3g6k s LYS 302 Cb -0.42 -3.37 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 3g6k s LYS 302 CO 0.55 -0.10 -0.12 0.15 -0.36 0.00 0.00 175.35 175.46 3g6k s LYS 303 N 0.73 0.94 0.00 4.03 -0.14 -1.26 -5.21 119.74 118.82 3g6k s LYS 303 Ca 0.54 -1.20 0.27 0.00 -1.36 0.00 0.00 55.97 54.23 3g6k s LYS 303 Cb -0.26 -0.74 1.63 0.00 -1.68 0.00 0.00 37.83 36.78 3g6k s LYS 303 CO 0.30 0.13 1.98 1.63 -0.76 0.00 0.00 175.35 178.63