#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g68 s THR 2 N 0.00 0.01 0.22 2.61 -4.23 -1.26 -5.11 115.64 107.87 3g68 s THR 2 Ca 0.00 -0.69 -0.09 0.00 -1.18 0.00 0.00 61.69 59.73 3g68 s THR 2 Cb 0.00 -1.59 0.17 0.00 1.34 0.00 0.00 72.50 72.42 3g68 s THR 2 CO 0.00 -0.05 1.71 0.40 -0.54 0.00 0.00 174.62 176.14 3g68 h ILE 3 N 2.09 0.66 -0.72 2.99 2.04 -1.92 -1.86 117.51 120.79 3g68 h ILE 3 Ca -0.27 -0.11 0.06 0.00 1.00 0.00 0.00 64.86 65.55 3g68 h ILE 3 Cb 1.27 0.32 -0.06 0.00 -0.74 0.00 0.00 36.82 37.62 3g68 h ILE 3 CO 0.33 0.06 0.41 1.56 0.00 0.00 0.00 178.15 180.51 3g68 h GLN 4 N 0.31 0.73 -0.63 2.37 7.50 -1.93 -1.69 115.11 121.76 3g68 h GLN 4 Ca 0.33 -0.04 0.09 0.00 0.50 0.00 0.00 58.65 59.52 3g68 h GLN 4 Cb 0.48 -0.16 -0.07 0.00 0.05 0.00 0.00 27.48 27.78 3g68 h GLN 4 CO -0.39 0.48 0.28 -0.44 -1.50 0.00 0.00 178.83 177.26 3g68 h ASP 5 N 0.75 0.33 0.00 1.46 3.32 -1.79 -0.86 116.42 119.63 3g68 h ASP 5 Ca 0.32 0.06 0.00 0.00 0.02 0.00 0.00 57.03 57.44 3g68 h ASP 5 Cb 0.20 0.02 0.00 0.00 0.22 0.00 0.00 39.33 39.76 3g68 h ASP 5 CO -0.19 0.20 0.00 -1.22 -1.72 0.00 0.00 179.24 176.31 3g68 n TYR 6 N -4.93 0.00 0.00 4.55 4.01 -0.64 -2.76 117.16 117.39 3g68 n TYR 6 Ca 0.09 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.62 3g68 n TYR 6 Cb 0.25 -0.15 0.00 0.00 -0.31 0.00 0.00 39.34 39.13 3g68 n TYR 6 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 3g68 n LEU 8 N 0.66 0.00 -0.40 7.72 4.77 -0.33 -2.86 117.00 126.57 3g68 n LEU 8 Ca 0.00 0.00 0.14 0.00 -0.03 0.00 0.00 56.01 56.12 3g68 n LEU 8 Cb 0.23 0.00 0.49 0.00 -2.33 0.00 0.00 43.42 41.81 3g68 n LEU 8 CO 0.00 0.00 0.81 -1.84 -1.33 0.00 0.00 177.39 175.03 3g68 n GLU 9 N 0.00 1.40 -0.08 3.23 0.28 -1.11 -4.43 120.64 119.92 3g68 n GLU 9 Ca 0.00 -0.80 -0.09 0.00 -0.16 0.00 0.00 57.16 56.11 3g68 n GLU 9 Cb 0.00 -1.48 -0.02 0.00 1.43 0.00 0.00 31.44 31.37 3g68 n GLU 9 CO 0.00 0.00 0.00 1.15 -0.16 0.00 0.00 177.13 178.12 3g68 h THR 10 N 1.96 1.07 -0.61 3.84 2.02 -1.83 -2.68 112.91 116.68 3g68 h THR 10 Ca 0.00 -0.13 0.11 0.00 0.77 0.00 0.00 66.41 67.15 3g68 h THR 10 Cb 0.49 0.65 -0.08 0.00 -1.74 0.00 0.00 68.15 67.47 3g68 h THR 10 CO 0.00 0.07 0.18 -0.65 0.37 0.00 0.00 175.52 175.49 3g68 h PRO 11 N 0.39 0.33 -0.26 6.66 0.11 -1.92 -2.53 132.00 134.78 3g68 h PRO 11 Ca 0.11 -0.02 -0.09 0.00 0.11 0.00 0.00 66.00 66.10 3g68 h PRO 11 Cb -0.04 -0.07 -0.01 0.00 0.11 0.00 0.00 31.00 30.98 3g68 h PRO 11 CO -0.02 0.22 -0.24 -0.24 -0.21 0.00 0.00 178.00 177.50 3g68 h VAL 12 N 0.33 1.26 0.00 3.15 3.04 -1.83 -1.63 116.25 120.58 3g68 h VAL 12 Ca 0.32 -1.25 0.00 0.00 -1.01 0.00 0.00 66.70 64.75 3g68 h VAL 12 Cb 0.43 1.33 0.00 0.00 -2.01 0.00 0.00 31.29 31.05 3g68 h VAL 12 CO -0.36 0.40 0.00 0.54 -1.01 0.00 0.00 177.57 177.14 3g68 n ARG 13 N -4.13 0.31 0.00 4.17 5.12 -0.95 -1.73 116.66 119.45 3g68 n ARG 13 Ca -0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 3g68 n ARG 13 Cb 0.40 -1.28 0.00 0.00 -1.16 0.00 0.00 32.46 30.42 3g68 n ARG 13 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 3g68 n ARG 15 N 0.68 0.00 -0.03 5.56 1.74 -0.62 -1.25 116.66 122.74 3g68 n ARG 15 Ca 0.00 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 57.01 3g68 n ARG 15 Cb 0.13 0.00 0.11 0.00 -1.02 0.00 0.00 32.46 31.68 3g68 n ARG 15 CO 0.00 0.00 0.00 0.93 -1.52 0.00 0.00 177.63 177.04 3g68 h GLU 16 N 0.00 0.63 -0.51 5.56 4.39 -1.61 -1.83 114.58 121.22 3g68 h GLU 16 Ca 0.00 -0.28 0.03 0.00 0.34 0.00 0.00 59.36 59.45 3g68 h GLU 16 Cb 0.00 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.60 3g68 h GLU 16 CO 0.00 0.87 0.29 0.82 -1.16 0.00 0.00 179.01 179.83 3g68 h ILE 17 N 0.54 1.03 -0.31 3.13 2.04 -1.45 -0.20 117.51 122.30 3g68 h ILE 17 Ca 0.06 -0.20 0.02 0.00 1.00 0.00 0.00 64.86 65.74 3g68 h ILE 17 Cb 0.80 0.40 -0.02 0.00 -0.74 0.00 0.00 36.82 37.26 3g68 h ILE 17 CO 0.07 0.11 0.17 0.40 0.00 0.00 0.00 178.15 178.89 3g68 h ILE 18 N 0.58 1.02 -0.39 -0.67 2.04 -1.79 -2.14 117.51 116.15 3g68 h ILE 18 Ca 0.21 -0.12 -0.01 0.00 1.00 0.00 0.00 64.86 65.95 3g68 h ILE 18 Cb 0.05 0.64 -0.02 0.00 -0.74 0.00 0.00 36.82 36.75 3g68 h ILE 18 CO -0.11 0.06 0.22 -1.28 0.00 0.00 0.00 178.15 177.04 3g68 h SER 19 N 0.35 0.47 0.42 1.72 0.87 -0.85 -2.62 113.55 113.91 3g68 h SER 19 Ca 0.12 -0.03 0.00 0.00 -1.23 0.00 0.00 61.79 60.66 3g68 h SER 19 Cb 0.02 -0.12 0.00 0.00 -0.44 0.00 0.00 62.40 61.86 3g68 h SER 19 CO -0.07 0.38 -0.17 -3.20 -0.53 0.00 0.00 176.83 173.24 3g68 n ASN 20 N -4.44 0.51 -0.10 6.23 5.15 -0.13 -4.47 115.26 118.02 3g68 n ASN 20 Ca 0.03 -0.48 -0.08 0.00 -0.60 0.00 0.00 54.58 53.44 3g68 n ASN 20 Cb 0.09 -0.05 -0.01 0.00 -0.53 0.00 0.00 39.78 39.29 3g68 n ASN 20 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3g68 h ALA 21 N 3.49 0.42 -0.87 5.20 0.00 -1.00 0.40 119.26 126.90 3g68 h ALA 21 Ca 0.00 -0.02 0.11 0.00 0.00 0.00 0.00 54.91 55.01 3g68 h ALA 21 Cb 0.41 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 18.02 3g68 h ALA 21 CO 0.00 -0.14 0.56 -0.44 0.00 0.00 0.00 179.25 179.24 3g68 h ASP 22 N 0.43 0.72 0.01 0.00 3.32 -1.80 -1.49 116.42 117.61 3g68 h ASP 22 Ca 0.13 0.03 -0.03 0.00 0.02 0.00 0.00 57.03 57.17 3g68 h ASP 22 Cb -0.03 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 39.41 3g68 h ASP 22 CO -0.04 0.40 -0.13 -1.28 -1.72 0.00 0.00 179.24 176.47 3g68 h SER 23 N 0.78 0.10 -0.52 6.45 0.87 -1.74 -3.08 113.55 116.41 3g68 h SER 23 Ca 0.42 -0.84 0.04 0.00 -1.23 0.00 0.00 61.79 60.17 3g68 h SER 23 Cb 0.53 -0.03 -0.04 0.00 -0.44 0.00 0.00 62.40 62.42 3g68 h SER 23 CO -0.18 0.93 0.29 0.25 -0.53 0.00 0.00 176.83 177.59 3g68 h LEU 24 N -0.72 0.44 -1.94 2.23 5.85 -0.59 -3.01 115.31 117.56 3g68 h LEU 24 Ca -0.02 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.72 3g68 h LEU 24 Cb 0.96 -0.07 0.00 0.00 0.37 0.00 0.00 40.66 41.92 3g68 h LEU 24 CO 0.02 0.30 0.00 0.49 -0.34 0.00 0.00 178.44 178.92 3g68 n PHE 25 N -4.84 0.56 0.01 1.25 3.72 -0.59 -4.56 117.46 113.01 3g68 n PHE 25 Ca 0.04 -0.28 0.12 0.00 -0.05 0.00 0.00 57.45 57.29 3g68 n PHE 25 Cb 0.11 0.00 0.56 0.00 -0.94 0.00 0.00 39.48 39.22 3g68 n PHE 25 CO 0.00 0.00 0.00 -0.97 -0.05 0.00 0.00 176.76 175.74 3g68 h ASN 26 N 3.41 0.22 0.00 4.37 -1.24 -1.43 -2.06 115.58 118.86 3g68 h ASN 26 Ca 0.00 0.00 -0.10 0.00 0.71 0.00 0.00 56.30 56.91 3g68 h ASN 26 Cb 0.77 -0.04 -0.02 0.00 0.73 0.00 0.00 38.32 39.76 3g68 h ASN 26 CO 0.00 0.14 -0.79 -0.33 -1.29 0.00 0.00 177.43 175.16 3g68 h GLU 27 N 0.25 0.00 -0.61 6.67 3.07 -1.83 -3.39 114.58 118.74 3g68 h GLU 27 Ca 0.21 0.00 0.10 0.00 -0.50 0.00 0.00 59.36 59.17 3g68 h GLU 27 Cb 0.50 0.00 -0.04 0.00 -0.84 0.00 0.00 28.75 28.38 3g68 h GLU 27 CO -0.04 0.47 0.41 -0.24 -1.40 0.00 0.00 179.01 178.21 3g68 h VAL 28 N -1.00 0.90 0.00 3.13 3.04 -1.86 -0.67 116.25 119.79 3g68 h VAL 28 Ca -0.15 -0.15 0.00 0.00 -1.01 0.00 0.00 66.70 65.39 3g68 h VAL 28 Cb 0.84 0.44 0.00 0.00 -2.01 0.00 0.00 31.29 30.56 3g68 h VAL 28 CO -0.09 0.08 0.00 0.07 -1.01 0.00 0.00 177.57 176.62 3g68 h LYS 29 N 0.43 0.00 -0.01 4.17 2.10 -1.56 -2.61 116.57 119.08 3g68 h LYS 29 Ca 0.28 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.93 3g68 h LYS 29 Cb 0.53 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.86 3g68 h LYS 29 CO -0.08 0.00 -0.20 0.54 -2.00 0.00 0.00 179.45 177.71 3g68 n ARG 30 N -2.98 1.24 -1.52 0.07 1.74 -0.26 -4.81 116.66 110.14 3g68 n ARG 30 Ca -0.02 -0.82 -0.31 0.00 -0.77 0.00 0.00 57.85 55.93 3g68 n ARG 30 Cb 0.14 -1.48 0.06 0.00 -1.02 0.00 0.00 32.46 30.15 3g68 n ARG 30 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3g68 s THR 31 N -2.32 3.91 -0.52 0.55 -4.23 -0.99 -5.00 115.64 107.03 3g68 s THR 31 Ca 0.27 0.62 -0.21 0.00 -1.18 0.00 0.00 61.69 61.20 3g68 s THR 31 Cb 0.20 -3.32 0.05 0.00 1.34 0.00 0.00 72.50 70.77 3g68 s THR 31 CO 0.46 -0.81 0.73 0.21 -0.54 0.00 0.00 174.62 174.67 3g68 s ASN 32 N -3.72 6.26 -0.14 3.99 2.47 -1.26 -5.04 114.94 117.49 3g68 s ASN 32 Ca 0.59 -0.74 -0.00 0.00 0.42 0.00 0.00 52.86 53.12 3g68 s ASN 32 Cb -0.15 -2.34 -0.01 0.00 -1.45 0.00 0.00 41.25 37.31 3g68 s ASN 32 CO 0.55 -1.01 -0.14 -0.76 -3.72 0.00 0.00 177.10 172.02 3g68 s LEU 33 N 3.08 2.62 -0.00 3.21 1.43 -1.26 -4.55 118.68 123.20 3g68 s LEU 33 Ca 0.20 -0.39 0.13 0.00 -1.03 0.00 0.00 54.13 53.04 3g68 s LEU 33 Cb -0.17 -1.60 -0.15 0.00 0.03 0.00 0.00 46.19 44.30 3g68 s LEU 33 CO 0.14 0.12 0.50 0.29 0.23 0.00 0.00 176.35 177.63 3g68 n LYS 34 N 3.82 2.41 -3.59 1.70 4.01 0.14 -4.96 118.16 121.69 3g68 n LYS 34 Ca -0.18 -0.02 -0.14 0.00 -0.51 0.00 0.00 58.31 57.46 3g68 n LYS 34 Cb 0.52 -1.13 -0.06 0.00 -0.51 0.00 0.00 35.03 33.84 3g68 n LYS 34 CO 0.00 0.00 0.00 0.21 -1.11 0.00 0.00 177.40 176.50 3g68 s LYS 35 N -2.31 0.81 -0.07 1.97 2.20 -1.11 -3.89 119.74 117.33 3g68 s LYS 35 Ca 0.03 0.58 0.04 0.00 -0.36 0.00 0.00 55.97 56.26 3g68 s LYS 35 Cb 0.09 0.39 0.00 0.00 -1.51 0.00 0.00 37.83 36.80 3g68 s LYS 35 CO 0.52 -0.17 -0.20 0.42 -0.36 0.00 0.00 175.35 175.56 3g68 s ILE 36 N -0.34 1.73 -0.17 5.43 1.01 -0.51 -0.86 121.20 127.49 3g68 s ILE 36 Ca -0.03 -0.85 0.01 0.00 0.00 0.00 0.00 60.65 59.78 3g68 s ILE 36 Cb -0.03 -1.50 0.01 0.00 0.01 0.00 0.00 42.46 40.95 3g68 s ILE 36 CO 0.02 0.49 -0.17 -0.63 0.00 0.00 0.00 174.94 174.65 3g68 s ILE 37 N 0.28 2.36 -0.21 2.92 1.01 -0.31 -1.49 121.20 125.76 3g68 s ILE 37 Ca -0.13 -0.85 -0.09 0.00 0.00 0.00 0.00 60.65 59.58 3g68 s ILE 37 Cb -0.16 -2.00 -0.05 0.00 0.01 0.00 0.00 42.46 40.27 3g68 s ILE 37 CO 0.06 0.52 0.12 -0.63 0.00 0.00 0.00 174.94 175.01 3g68 s ILE 38 N 1.11 5.17 0.01 2.92 1.01 0.09 -0.40 121.20 131.11 3g68 s ILE 38 Ca 0.00 0.11 0.01 0.00 0.00 0.00 0.00 60.65 60.77 3g68 s ILE 38 Cb -0.14 -3.38 -0.01 0.00 0.01 0.00 0.00 42.46 38.94 3g68 s ILE 38 CO -0.07 0.40 -0.03 0.28 0.00 0.00 0.00 174.94 175.53 3g68 s THR 39 N 0.71 0.18 -0.13 2.92 -1.32 -0.50 -4.24 115.64 113.25 3g68 s THR 39 Ca 0.06 -0.44 -0.34 0.00 -1.21 0.00 0.00 61.69 59.77 3g68 s THR 39 Cb -0.13 -0.22 0.14 0.00 -1.51 0.00 0.00 72.50 70.79 3g68 s THR 39 CO 0.01 -0.17 1.38 -0.83 -2.21 0.00 0.00 174.62 172.81 3g68 s GLY 40 N -0.63 -0.40 0.17 6.08 0.00 -1.26 -0.77 107.32 110.51 3g68 s GLY 40 Ca -0.05 1.18 0.04 0.00 0.00 0.00 0.00 44.72 45.89 3g68 s GLY 40 CO -0.00 0.30 0.23 -0.56 0.00 0.00 0.00 173.10 173.06 3g68 s SER 41 N -2.71 5.95 0.48 1.64 0.01 -1.26 -3.38 113.70 114.44 3g68 s SER 41 Ca 0.14 0.01 0.00 0.00 1.31 0.00 0.00 55.95 57.41 3g68 s SER 41 Cb 0.05 -1.68 0.00 0.00 0.21 0.00 0.00 66.02 64.59 3g68 s SER 41 CO -0.05 0.04 0.00 0.61 0.41 0.00 0.00 173.24 174.25 3g68 n GLY 42 N -0.61 2.68 0.36 3.44 0.00 -1.26 -1.32 105.19 108.48 3g68 n GLY 42 Ca -0.08 0.23 0.13 0.00 0.00 0.00 0.00 46.02 46.29 3g68 n GLY 42 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 3g68 h THR 43 N 0.00 0.87 -0.36 2.61 2.02 -1.98 -1.18 112.91 114.89 3g68 h THR 43 Ca 0.00 -0.15 -0.11 0.00 0.77 0.00 0.00 66.41 66.92 3g68 h THR 43 Cb 0.00 0.41 -0.01 0.00 -1.74 0.00 0.00 68.15 66.80 3g68 h THR 43 CO 0.00 0.08 -0.24 0.28 0.37 0.00 0.00 175.52 176.01 3g68 h SER 44 N 0.43 0.74 -0.67 4.18 0.02 -1.52 -2.10 113.55 114.62 3g68 h SER 44 Ca 0.31 -0.27 -0.05 0.00 -0.84 0.00 0.00 61.79 60.93 3g68 h SER 44 Cb 0.62 -0.20 -0.03 0.00 0.14 0.00 0.00 62.40 62.93 3g68 h SER 44 CO -0.09 0.95 0.21 0.22 -1.14 0.00 0.00 176.83 176.99 3g68 h TYR 45 N 0.63 1.08 -0.60 3.45 3.20 -1.04 -3.03 116.97 120.67 3g68 h TYR 45 Ca 0.09 -0.11 -0.01 0.00 3.14 0.00 0.00 58.73 61.83 3g68 h TYR 45 Cb 0.74 -0.31 -0.03 0.00 1.54 0.00 0.00 36.73 38.67 3g68 h TYR 45 CO 0.04 0.87 0.31 0.45 -1.64 0.00 0.00 178.16 178.19 3g68 h HIS 46 N 0.98 0.81 -0.78 -3.82 3.86 -0.93 -0.67 115.15 114.60 3g68 h HIS 46 Ca 0.22 -0.01 -0.02 0.00 -1.16 0.00 0.00 60.37 59.39 3g68 h HIS 46 Cb 0.30 -0.26 -0.04 0.00 1.06 0.00 0.00 27.41 28.47 3g68 h HIS 46 CO 0.02 0.57 0.40 0.66 0.86 0.00 0.00 177.93 180.45 3g68 h SER 47 N 0.83 1.00 -0.52 2.45 4.64 -1.28 0.90 113.55 121.58 3g68 h SER 47 Ca 0.21 -0.12 -0.09 0.00 -0.47 0.00 0.00 61.79 61.32 3g68 h SER 47 Cb 0.04 -0.26 -0.02 0.00 -0.31 0.00 0.00 62.40 61.86 3g68 h SER 47 CO -0.03 0.83 -0.05 1.23 -0.87 0.00 0.00 176.83 177.94 3g68 h GLY 48 N 1.09 1.02 0.86 -0.77 0.00 -1.21 -1.86 103.07 102.20 3g68 h GLY 48 Ca 0.27 -0.79 0.03 0.00 0.00 0.00 0.00 47.33 46.84 3g68 h GLY 48 CO -0.04 0.72 0.31 -2.08 0.00 0.00 0.00 176.54 175.46 3g68 h VAL 49 N 0.81 1.05 -0.30 4.60 2.07 -0.74 -1.29 116.25 122.44 3g68 h VAL 49 Ca 0.14 -0.21 -0.07 0.00 0.82 0.00 0.00 66.70 67.38 3g68 h VAL 49 Cb 0.59 0.37 -0.01 0.00 -1.52 0.00 0.00 31.29 30.72 3g68 h VAL 49 CO 0.04 0.11 -0.07 -0.61 0.02 0.00 0.00 177.57 177.06 3g68 h GLN 50 N 0.62 0.58 0.00 1.57 5.75 -0.74 -3.33 115.11 119.56 3g68 h GLN 50 Ca 0.22 -0.22 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 3g68 h GLN 50 Cb 0.04 -0.03 0.00 0.00 1.07 0.00 0.00 27.48 28.55 3g68 h GLN 50 CO -0.10 0.77 -1.12 0.28 -2.65 0.00 0.00 178.83 176.01 3g68 n VAL 51 N -4.48 0.54 -0.30 2.39 0.31 -0.71 -4.34 118.33 111.74 3g68 n VAL 51 Ca -0.03 -0.53 0.08 0.00 -0.01 0.00 0.00 64.34 63.85 3g68 n VAL 51 Cb 0.32 -0.29 0.24 0.00 -0.91 0.00 0.00 33.84 33.20 3g68 n VAL 51 CO 0.00 0.00 0.00 -0.61 -1.32 0.00 0.00 176.83 174.90 3g68 h GLN 52 N 0.00 0.58 -0.71 5.55 -0.00 -1.34 -1.73 115.11 117.45 3g68 h GLN 52 Ca 0.00 -0.03 0.00 0.00 -0.00 0.00 0.00 58.65 58.62 3g68 h GLN 52 Cb 0.99 -0.13 -0.03 0.00 0.00 0.00 0.00 27.48 28.31 3g68 h GLN 52 CO 0.00 0.38 0.46 -1.35 0.00 0.00 0.00 178.83 178.32 3g68 h PRO 53 N 0.59 0.94 -0.40 -2.39 0.11 -1.78 0.20 132.00 129.28 3g68 h PRO 53 Ca 0.48 -0.06 0.05 0.00 0.11 0.00 0.00 66.00 66.58 3g68 h PRO 53 Cb 0.72 -0.21 -0.04 0.00 0.11 0.00 0.00 31.00 31.57 3g68 h PRO 53 CO -0.39 0.63 0.14 -0.92 -0.21 0.00 0.00 178.00 177.26 3g68 h TYR 54 N 0.96 0.25 -0.45 0.65 3.20 -1.65 -1.02 116.97 118.91 3g68 h TYR 54 Ca 0.26 0.02 -0.13 0.00 3.14 0.00 0.00 58.73 62.02 3g68 h TYR 54 Cb -0.10 -0.05 -0.01 0.00 1.54 0.00 0.00 36.73 38.11 3g68 h TYR 54 CO -0.02 0.09 -0.23 -0.07 -1.64 0.00 0.00 178.16 176.30 3g68 h LEU 55 N 0.30 0.94 -1.03 2.82 3.38 -0.93 -0.28 115.31 120.51 3g68 h LEU 55 Ca 0.18 -0.36 -0.07 0.00 0.09 0.00 0.00 57.88 57.73 3g68 h LEU 55 Cb 0.17 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.64 3g68 h LEU 55 CO -0.19 1.12 -0.06 -0.61 0.09 0.00 0.00 178.44 178.79 3g68 h GLN 56 N 0.79 0.62 -0.38 1.13 5.75 -0.80 0.39 115.11 122.61 3g68 h GLN 56 Ca 0.10 -0.17 -0.10 0.00 -0.15 0.00 0.00 58.65 58.33 3g68 h GLN 56 Cb 0.79 -0.07 -0.01 0.00 1.07 0.00 0.00 27.48 29.25 3g68 h GLN 56 CO 0.07 0.69 -0.15 -0.97 -2.65 0.00 0.00 178.83 175.81 3g68 h ASN 57 N 0.58 0.79 -0.02 -0.69 -0.73 -0.89 -3.35 115.58 111.27 3g68 h ASN 57 Ca 0.11 -0.39 -0.02 0.00 1.87 0.00 0.00 56.30 57.87 3g68 h ASN 57 Cb 0.46 -0.22 0.00 0.00 0.27 0.00 0.00 38.32 38.83 3g68 h ASN 57 CO 0.02 1.01 -0.06 0.25 -0.37 0.00 0.00 177.43 178.28 3g68 h LEU 58 N 0.58 0.08-10.43 0.34 5.85 -0.76 -3.47 115.31 107.50 3g68 h LEU 58 Ca 0.09 -0.63 -0.46 0.00 0.84 0.00 0.00 57.88 57.72 3g68 h LEU 58 Cb 0.69 -0.02 0.04 0.00 0.37 0.00 0.00 40.66 41.74 3g68 h LEU 58 CO 0.05 0.70 0.00 -0.76 -0.34 0.00 0.00 178.44 178.09 3g68 s LEU 59 N -8.90 3.40 -0.14 2.25 1.43 0.10 -4.98 118.68 111.84 3g68 s LEU 59 Ca -0.16 0.31 0.17 0.00 -1.03 0.00 0.00 54.13 53.41 3g68 s LEU 59 Cb 0.01 -3.16 0.68 0.00 0.03 0.00 0.00 46.19 43.75 3g68 s LEU 59 CO 0.70 -0.96 1.60 0.47 0.23 0.00 0.00 176.35 178.39 3g68 n ASP 60 N -2.32 4.71 -4.42 2.29 8.00 -1.26 -4.84 116.55 118.71 3g68 n ASP 60 Ca 0.04 -2.61 -0.21 0.00 0.71 0.00 0.00 54.79 52.73 3g68 n ASP 60 Cb 0.58 -0.57 -0.10 0.00 -0.02 0.00 0.00 41.12 41.01 3g68 n ASP 60 CO 0.00 0.00 0.00 0.27 -0.39 0.00 0.00 177.20 177.08 3g68 s ILE 61 N -2.13 1.40 0.11 0.53 -4.36 -1.26 -5.11 121.20 110.38 3g68 s ILE 61 Ca 0.48 -2.06 -0.31 0.00 -0.26 0.00 0.00 60.65 58.50 3g68 s ILE 61 Cb 0.33 -2.55 -0.09 0.00 1.25 0.00 0.00 42.46 41.40 3g68 s ILE 61 CO 0.20 -0.21 1.62 -0.62 0.24 0.00 0.00 174.94 176.17 3g68 s ASP 62 N -3.44 6.59 -0.16 4.36 2.15 -1.25 -4.87 116.67 120.05 3g68 s ASP 62 Ca 0.31 2.56 0.01 0.00 0.43 0.00 0.00 52.55 55.86 3g68 s ASP 62 Cb 0.06 -2.58 0.02 0.00 -0.30 0.00 0.00 42.92 40.12 3g68 s ASP 62 CO 0.12 -0.86 -0.17 -0.69 -0.17 0.00 0.00 175.17 173.40 3g68 s VAL 63 N 1.97 1.82 0.12 1.11 1.01 -1.26 -1.43 120.40 123.73 3g68 s VAL 63 Ca 0.72 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.99 3g68 s VAL 63 Cb -0.42 -1.66 -0.04 0.00 0.00 0.00 0.00 36.38 34.26 3g68 s VAL 63 CO 0.32 0.50 -0.18 0.68 0.00 0.00 0.00 175.10 176.42 3g68 s VAL 64 N 1.32 1.60 0.49 2.92 -7.23 -0.56 -4.84 120.40 114.12 3g68 s VAL 64 Ca 0.03 -1.64 0.03 0.00 -1.81 0.00 0.00 61.98 58.60 3g68 s VAL 64 Cb -0.13 -1.56 -0.02 0.00 0.56 0.00 0.00 36.38 35.23 3g68 s VAL 64 CO -0.10 -0.21 0.07 -1.59 -0.31 0.00 0.00 175.10 172.96 3g68 s LYS 65 N -2.24 2.17 0.13 4.82 0.00 -1.26 -0.73 119.74 122.62 3g68 s LYS 65 Ca 0.08 -2.27 -0.11 0.00 0.00 0.00 0.00 55.97 53.67 3g68 s LYS 65 Cb -0.08 -1.66 -0.06 0.00 0.00 0.00 0.00 37.83 36.03 3g68 s LYS 65 CO 0.04 -0.34 0.47 0.71 0.00 0.00 0.00 175.35 176.23 3g68 s TYR 67 N -2.82 3.56 0.45 1.78 2.02 -1.26 -4.94 117.35 116.14 3g68 s TYR 67 Ca 0.16 0.87 0.15 0.00 -0.37 0.00 0.00 57.07 57.89 3g68 s TYR 67 Cb 0.02 -2.23 1.08 0.00 -0.40 0.00 0.00 41.96 40.43 3g68 s TYR 67 CO 0.09 0.45 2.00 -1.35 -1.57 0.00 0.00 175.55 175.17 3g68 h PRO 68 N 3.44 0.33 -2.14 -1.71 0.11 -1.89 -3.29 132.00 126.84 3g68 h PRO 68 Ca -0.48 -0.02 -0.01 0.00 0.11 0.00 0.00 66.00 65.60 3g68 h PRO 68 Cb 1.19 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.22 3g68 h PRO 68 CO 0.67 0.22 0.06 1.97 -0.21 0.00 0.00 178.00 180.70 3g68 n PHE 69 N -4.47 0.00 -1.25 0.65 1.16 -1.26 -4.78 117.46 107.51 3g68 n PHE 69 Ca 0.08 -0.20 0.00 0.00 -1.87 0.00 0.00 57.45 55.46 3g68 n PHE 69 Cb 0.35 -0.35 0.00 0.00 -1.61 0.00 0.00 39.48 37.87 3g68 n PHE 69 CO 0.00 0.00 0.00 -0.89 -1.87 0.00 0.00 176.76 174.00 3g68 n ILE 71 N 2.08 0.00 -4.44 1.97 5.41 -1.24 -5.17 119.36 117.97 3g68 n ILE 71 Ca 0.01 0.00 -0.24 0.00 1.00 0.00 0.00 62.75 63.53 3g68 n ILE 71 Cb 0.11 -0.57 -0.08 0.00 -0.71 0.00 0.00 39.64 38.39 3g68 n ILE 71 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 3g68 s THR 72 N 0.00 0.36 0.51 1.39 -4.23 -1.26 -4.98 115.64 107.44 3g68 s THR 72 Ca 0.00 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 58.68 3g68 s THR 72 Cb 0.00 -2.37 0.26 0.00 1.34 0.00 0.00 72.50 71.73 3g68 s THR 72 CO 0.00 0.00 2.13 -0.33 -0.54 0.00 0.00 174.62 175.88 3g68 h GLU 73 N 1.89 0.00 0.00 3.99 5.08 -1.97 -1.65 114.58 121.92 3g68 h GLU 73 Ca -0.31 0.00 -0.01 0.00 -1.00 0.00 0.00 59.36 58.04 3g68 h GLU 73 Cb 1.26 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 30.51 3g68 h GLU 73 CO 0.49 0.04 -0.03 -0.44 -1.00 0.00 0.00 179.01 178.06 3g68 h ASP 74 N 0.00 0.00 0.41 1.42 3.32 -2.02 -1.63 116.42 117.92 3g68 h ASP 74 Ca -0.00 0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.00 3g68 h ASP 74 Cb 0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.61 3g68 h ASP 74 CO 0.00 0.03 -0.26 0.74 -1.72 0.00 0.00 179.24 178.04 3g68 h THR 75 N 0.00 0.96 -1.44 0.35 2.02 -1.69 -3.31 112.91 109.80 3g68 h THR 75 Ca -0.00 -0.97 -0.62 0.00 0.77 0.00 0.00 66.41 65.60 3g68 h THR 75 Cb 0.41 1.56 -0.39 0.00 -1.74 0.00 0.00 68.15 67.98 3g68 h THR 75 CO 0.00 0.25 -0.37 0.49 0.37 0.00 0.00 175.52 176.27 3g68 n PHE 76 N -3.91 3.22 0.11 3.16 3.72 -0.61 -4.75 117.46 118.39 3g68 n PHE 76 Ca -0.02 -2.82 -0.20 0.00 -0.05 0.00 0.00 57.45 54.36 3g68 n PHE 76 Cb 0.34 -0.38 -0.13 0.00 -0.94 0.00 0.00 39.48 38.37 3g68 n PHE 76 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 176.76 177.58 3g68 h LYS 77 N 2.55 0.46 0.00 -1.08 1.57 -1.66 -3.47 116.57 114.94 3g68 h LYS 77 Ca 0.37 -0.69 0.00 0.00 -1.87 0.00 0.00 60.65 58.46 3g68 h LYS 77 Cb 0.88 0.24 0.00 0.00 0.08 0.00 0.00 32.23 33.43 3g68 h LYS 77 CO 0.97 1.31 0.00 1.19 -0.57 0.00 0.00 179.45 182.35 3g68 n PHE 78 N -3.68 0.00 -1.83 -1.35 0.99 -1.26 -4.96 117.46 105.37 3g68 n PHE 78 Ca -0.12 0.00 -0.42 0.00 -0.00 0.00 0.00 57.45 56.91 3g68 n PHE 78 Cb 1.01 0.00 -0.03 0.00 -1.00 0.00 0.00 39.48 39.47 3g68 n PHE 78 CO 0.00 0.00 0.00 0.16 -0.00 0.00 0.00 176.76 176.92 3g68 s ASP 79 N -1.00 6.46 0.00 4.37 1.47 -1.26 -4.91 116.67 121.80 3g68 s ASP 79 Ca 0.00 2.80 0.00 0.00 1.18 0.00 0.00 52.55 56.53 3g68 s ASP 79 Cb 0.00 -2.61 0.00 0.00 -0.34 0.00 0.00 42.92 39.97 3g68 s ASP 79 CO 0.00 -0.89 0.00 0.59 0.68 0.00 0.00 175.17 175.55 3g68 n ASN 80 N 3.40 1.27 0.26 2.11 3.02 -1.26 -4.80 115.26 119.25 3g68 n ASN 80 Ca 0.13 -0.30 0.09 0.00 -0.03 0.00 0.00 54.58 54.46 3g68 n ASN 80 Cb 0.37 0.86 0.67 0.00 -0.61 0.00 0.00 39.78 41.07 3g68 n ASN 80 CO 0.00 0.00 0.00 -0.33 -2.62 0.00 0.00 177.26 174.31 3g68 h GLU 81 N 0.00 0.00 -0.40 3.52 3.07 -1.88 -2.38 114.58 116.50 3g68 h GLU 81 Ca 0.00 0.00 -0.02 0.00 -0.50 0.00 0.00 59.36 58.84 3g68 h GLU 81 Cb 0.00 0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 3g68 h GLU 81 CO 0.00 0.00 0.02 0.09 -1.40 0.00 0.00 179.01 177.72 3g68 n ASN 82 N -4.46 4.57 -4.53 1.42 3.02 -1.26 -4.53 115.26 109.48 3g68 n ASN 82 Ca -0.03 -3.03 -0.36 0.00 -0.03 0.00 0.00 54.58 51.13 3g68 n ASN 82 Cb 0.09 -0.61 -0.11 0.00 -0.61 0.00 0.00 39.78 38.54 3g68 n ASN 82 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 3g68 s THR 83 N -2.84 4.61 -0.27 3.41 2.01 -0.89 0.23 115.64 121.90 3g68 s THR 83 Ca 0.48 -0.08 -0.10 0.00 0.31 0.00 0.00 61.69 62.29 3g68 s THR 83 Cb 0.38 -3.13 -0.05 0.00 0.01 0.00 0.00 72.50 69.71 3g68 s THR 83 CO 0.11 0.37 0.16 -0.22 -0.69 0.00 0.00 174.62 174.36 3g68 s LEU 84 N 1.15 3.94 -0.34 4.42 2.96 -0.04 -0.88 118.68 129.90 3g68 s LEU 84 Ca 0.05 -0.02 -0.13 0.00 -0.22 0.00 0.00 54.13 53.81 3g68 s LEU 84 Cb -0.14 -2.08 -0.02 0.00 0.50 0.00 0.00 46.19 44.45 3g68 s LEU 84 CO 0.04 -0.02 0.24 -0.69 -1.32 0.00 0.00 176.35 174.59 3g68 s VAL 85 N 1.58 5.29 -0.48 1.68 1.01 0.34 -1.16 120.40 128.66 3g68 s VAL 85 Ca 0.07 -0.20 -0.16 0.00 0.00 0.00 0.00 61.98 61.68 3g68 s VAL 85 Cb -0.15 -3.71 0.07 0.00 0.00 0.00 0.00 36.38 32.59 3g68 s VAL 85 CO 0.09 -0.00 0.46 -0.69 0.00 0.00 0.00 175.10 174.95 3g68 s VAL 86 N 1.72 5.14 -0.20 2.92 1.01 0.46 -0.85 120.40 130.61 3g68 s VAL 86 Ca 0.06 -0.93 -0.23 0.00 0.00 0.00 0.00 61.98 60.88 3g68 s VAL 86 Cb -0.17 -4.17 -0.02 0.00 0.00 0.00 0.00 36.38 32.02 3g68 s VAL 86 CO 0.11 -0.64 0.75 -0.83 0.00 0.00 0.00 175.10 174.48 3g68 s GLY 87 N 2.64 1.98 -0.18 4.51 0.00 -0.13 -1.41 107.32 114.74 3g68 s GLY 87 Ca 0.07 -0.15 -0.02 0.00 0.00 0.00 0.00 44.72 44.62 3g68 s GLY 87 CO 0.08 1.56 -0.08 0.14 0.00 0.00 0.00 173.10 174.81 3g68 s VAL 88 N 2.26 3.32 -0.30 1.40 1.01 0.05 -4.29 120.40 123.85 3g68 s VAL 88 Ca 0.33 -0.54 -0.05 0.00 0.00 0.00 0.00 61.98 61.72 3g68 s VAL 88 Cb -0.16 -2.46 0.17 0.00 0.00 0.00 0.00 36.38 33.93 3g68 s VAL 88 CO 0.10 0.47 0.67 -0.55 0.00 0.00 0.00 175.10 175.79 3g68 s SER 89 N 0.87 -1.21 0.10 3.32 0.15 -1.26 -4.32 113.70 111.35 3g68 s SER 89 Ca -0.02 1.03 -0.17 0.00 0.70 0.00 0.00 55.95 57.49 3g68 s SER 89 Cb -0.15 2.13 -0.06 0.00 -1.71 0.00 0.00 66.02 66.23 3g68 s SER 89 CO 0.01 -0.23 1.57 -0.61 1.20 0.00 0.00 173.24 175.18 3g68 h GLN 90 N 7.97 0.51 0.00 5.44 4.15 -1.96 -1.66 115.11 129.56 3g68 h GLN 90 Ca -0.20 -0.14 -0.05 0.00 0.77 0.00 0.00 58.65 59.02 3g68 h GLN 90 Cb 1.14 -0.06 -0.01 0.00 0.21 0.00 0.00 27.48 28.77 3g68 h GLN 90 CO 0.18 0.62 -0.25 0.78 -1.93 0.00 0.00 178.83 178.23 3g68 h GLY 91 N 0.32 0.00 0.00 2.39 0.00 -1.96 0.17 103.07 103.99 3g68 h GLY 91 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.42 3g68 h GLY 91 CO 0.01 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.16 3g68 n GLY 92 N 0.04 0.90 0.16 4.60 0.00 -0.62 -4.79 105.19 105.49 3g68 n GLY 92 Ca -0.00 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.08 3g68 n GLY 92 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3g68 n SER 93 N 0.00 1.67 -4.67 1.61 3.41 -1.26 -1.47 113.62 112.92 3g68 n SER 93 Ca 0.00 -2.64 -0.42 0.00 -0.26 0.00 0.00 58.87 55.55 3g68 n SER 93 Cb 0.00 -0.32 -0.03 0.00 -0.26 0.00 0.00 64.21 63.61 3g68 n SER 93 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 3g68 s SER 94 N -2.13 6.68 0.37 4.04 0.01 -1.26 -4.89 113.70 116.52 3g68 s SER 94 Ca 0.20 2.25 0.12 0.00 1.31 0.00 0.00 55.95 59.83 3g68 s SER 94 Cb 0.17 -2.54 0.72 0.00 0.21 0.00 0.00 66.02 64.59 3g68 s SER 94 CO 0.02 -0.89 1.83 1.88 0.41 0.00 0.00 173.24 176.49 3g68 h TYR 95 N 9.14 0.05 0.01 2.43 0.05 -1.98 -1.32 116.97 125.35 3g68 h TYR 95 Ca -0.39 -0.01 0.03 0.00 0.05 0.00 0.00 58.73 58.41 3g68 h TYR 95 Cb 1.18 -0.01 -0.04 0.00 1.01 0.00 0.00 36.73 38.86 3g68 h TYR 95 CO 0.85 0.38 -0.27 0.66 -1.05 0.00 0.00 178.16 178.74 3g68 h SER 96 N 0.04 -0.78 -0.33 3.88 4.64 -1.99 0.12 113.55 119.11 3g68 h SER 96 Ca 0.00 0.10 -0.10 0.00 -0.47 0.00 0.00 61.79 61.33 3g68 h SER 96 Cb 0.62 0.32 -0.01 0.00 -0.31 0.00 0.00 62.40 63.02 3g68 h SER 96 CO 0.05 -0.34 -0.17 0.74 -0.87 0.00 0.00 176.83 176.24 3g68 h THR 97 N -0.42 1.29 -0.07 2.95 2.02 -1.90 -2.12 112.91 114.66 3g68 h THR 97 Ca 0.06 -1.29 0.02 0.00 0.77 0.00 0.00 66.41 65.97 3g68 h THR 97 Cb 0.49 1.41 -0.03 0.00 -1.74 0.00 0.00 68.15 68.29 3g68 h THR 97 CO -0.22 0.42 -0.08 0.22 0.37 0.00 0.00 175.52 176.22 3g68 h TYR 98 N 0.48 -0.21 -0.85 3.16 5.03 -1.14 -2.84 116.97 120.60 3g68 h TYR 98 Ca 0.07 0.01 0.04 0.00 2.58 0.00 0.00 58.73 61.43 3g68 h TYR 98 Cb 0.71 0.10 -0.05 0.00 1.55 0.00 0.00 36.73 39.04 3g68 h TYR 98 CO 0.06 -0.13 0.54 -0.91 -1.32 0.00 0.00 178.16 176.40 3g68 h ASN 99 N -0.11 0.89 0.00 -2.11 2.35 -0.65 0.17 115.58 116.12 3g68 h ASN 99 Ca 0.06 -0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.81 3g68 h ASN 99 Cb 0.19 -0.19 0.00 0.00 0.05 0.00 0.00 38.32 38.37 3g68 h ASN 99 CO -0.14 0.60 0.00 0.00 -1.65 0.00 0.00 177.43 176.25 3g68 n ALA 100 N -2.34 1.55 0.00 -0.83 0.00 -0.81 -1.65 120.51 116.42 3g68 n ALA 100 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.55 3g68 n ALA 100 Cb 0.11 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.56 3g68 n ALA 100 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 3g68 n LYS 102 N 0.67 0.00 -0.14 0.00 3.00 0.05 -1.83 118.16 119.90 3g68 n LYS 102 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 58.31 58.21 3g68 n LYS 102 Cb 0.09 0.00 -0.01 0.00 0.00 0.00 0.00 35.03 35.10 3g68 n LYS 102 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 3g68 h LEU 103 N 0.00 0.73 -0.45 3.14 5.85 -1.58 -0.91 115.31 122.09 3g68 h LEU 103 Ca 0.00 -0.32 -0.00 0.00 0.84 0.00 0.00 57.88 58.40 3g68 h LEU 103 Cb 0.00 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 40.81 3g68 h LEU 103 CO 0.00 0.87 0.27 0.00 -0.34 0.00 0.00 178.44 179.24 3g68 h ALA 104 N 0.88 0.57 -0.15 1.25 0.00 -1.64 -1.73 119.26 118.45 3g68 h ALA 104 Ca 0.11 -0.06 0.02 0.00 0.00 0.00 0.00 54.91 54.99 3g68 h ALA 104 Cb 0.51 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.09 3g68 h ALA 104 CO 0.02 0.05 0.00 1.49 0.00 0.00 0.00 179.25 180.82 3g68 h GLU 105 N 0.60 0.05 0.00 0.00 4.81 -1.78 -1.20 114.58 117.06 3g68 h GLU 105 Ca 0.16 -0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.38 3g68 h GLU 105 Cb -0.02 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.35 3g68 h GLU 105 CO -0.03 0.03 -0.03 -0.44 -0.73 0.00 0.00 179.01 177.81 3g68 h ASP 106 N 0.05 0.00 -0.06 1.04 3.32 -0.85 -1.12 116.42 118.80 3g68 h ASP 106 Ca 0.07 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.12 3g68 h ASP 106 Cb 0.08 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.63 3g68 h ASP 106 CO -0.12 0.03 0.00 0.29 -1.72 0.00 0.00 179.24 177.72 3g68 n LYS 107 N -3.97 1.61 -0.06 3.56 4.76 -0.68 -4.93 118.16 118.46 3g68 n LYS 107 Ca -0.03 -0.90 0.00 0.00 -2.87 0.00 0.00 58.31 54.51 3g68 n LYS 107 Cb 0.12 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.86 3g68 n LYS 107 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g68 n GLY 108 N 1.14 0.81 3.79 0.72 0.00 -0.42 -4.77 105.19 106.45 3g68 n GLY 108 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 3g68 n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g68 s LYS 110 N -4.47 4.59 -0.08 0.00 1.02 -0.06 -4.59 119.74 116.16 3g68 s LYS 110 Ca 0.63 1.21 0.03 0.00 0.02 0.00 0.00 55.97 57.86 3g68 s LYS 110 Cb -0.17 -3.18 0.01 0.00 -0.52 0.00 0.00 37.83 33.96 3g68 s LYS 110 CO 0.47 0.52 -0.17 0.42 -0.92 0.00 0.00 175.35 175.66 3g68 s ILE 111 N -1.24 1.51 0.16 2.17 -1.09 -1.26 -0.51 121.20 120.94 3g68 s ILE 111 Ca 0.39 -0.70 0.09 0.00 -2.23 0.00 0.00 60.65 58.20 3g68 s ILE 111 Cb -0.23 -1.34 -0.04 0.00 -1.58 0.00 0.00 42.46 39.28 3g68 s ILE 111 CO 0.27 0.44 -0.20 0.00 -1.23 0.00 0.00 174.94 174.21 3g68 s ALA 112 N 0.51 2.12 0.00 9.38 0.00 -0.03 -0.21 121.76 133.53 3g68 s ALA 112 Ca -0.16 -1.49 0.00 0.00 0.00 0.00 0.00 51.96 50.31 3g68 s ALA 112 Cb -0.16 -0.24 0.00 0.00 0.00 0.00 0.00 23.12 22.72 3g68 s ALA 112 CO 0.06 0.31 0.00 -1.13 0.00 0.00 0.00 175.76 175.00 3g68 n SER 113 N 0.41 1.90 0.00 0.00 3.41 -0.63 -0.95 113.62 117.76 3g68 n SER 113 Ca -0.14 -0.52 0.00 0.00 -0.26 0.00 0.00 58.87 57.95 3g68 n SER 113 Cb 0.56 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.51 3g68 n SER 113 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3g68 n ALA 115 N -3.00 0.00 -0.27 7.33 0.00 -1.25 -0.79 120.51 122.53 3g68 n ALA 115 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 3g68 n ALA 115 Cb 0.00 0.00 0.27 0.00 0.00 0.00 0.00 19.45 19.72 3g68 n ALA 115 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3g68 n GLY 116 N -1.51 2.51 3.35 0.00 0.00 0.59 -0.40 105.19 109.73 3g68 n GLY 116 Ca 0.00 -0.62 -0.13 0.00 0.00 0.00 0.00 46.02 45.27 3g68 n GLY 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3g68 s LYS 118 N -2.73 2.97 -1.46 0.00 -0.14 -1.26 -3.88 119.74 113.23 3g68 s LYS 118 Ca -0.04 0.95 -0.11 0.00 -1.36 0.00 0.00 55.97 55.41 3g68 s LYS 118 Cb -0.00 -1.99 0.05 0.00 -1.68 0.00 0.00 37.83 34.20 3g68 s LYS 118 CO -0.04 -1.08 0.99 0.09 -0.76 0.00 0.00 175.35 174.55 3g68 n ASN 119 N -3.11 -5.47 -4.78 2.83 3.02 -1.26 -4.95 115.26 101.53 3g68 n ASN 119 Ca 0.07 -0.62 -0.35 0.00 -0.03 0.00 0.00 54.58 53.66 3g68 n ASN 119 Cb 0.54 -4.35 -0.02 0.00 -0.61 0.00 0.00 39.78 35.34 3g68 n ASN 119 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3g68 s ALA 120 N -3.27 2.81 0.21 5.41 0.00 -1.25 -4.94 121.76 120.72 3g68 s ALA 120 Ca 0.59 0.74 -0.10 0.00 0.00 0.00 0.00 51.96 53.18 3g68 s ALA 120 Cb -0.28 -3.31 0.29 0.00 0.00 0.00 0.00 23.12 19.81 3g68 s ALA 120 CO 0.73 -0.54 1.70 1.25 0.00 0.00 0.00 175.76 178.89 3g68 h LEU 121 N 1.47 -0.06 -2.27 0.00 5.85 -1.81 -1.50 115.31 117.00 3g68 h LEU 121 Ca -0.50 0.12 0.00 0.00 0.84 0.00 0.00 57.88 58.34 3g68 h LEU 121 Cb 1.24 0.18 0.00 0.00 0.37 0.00 0.00 40.66 42.45 3g68 h LEU 121 CO 0.58 -0.02 0.00 0.16 -0.34 0.00 0.00 178.44 178.82 3g68 h ILE 122 N 0.22 0.00 0.00 4.05 3.07 -1.62 -2.70 117.51 120.54 3g68 h ILE 122 Ca 0.31 -0.15 -0.02 0.00 1.55 0.00 0.00 64.86 66.55 3g68 h ILE 122 Cb 0.47 1.06 -0.00 0.00 -0.27 0.00 0.00 36.82 38.08 3g68 h ILE 122 CO -0.43 0.00 -0.10 0.44 -1.05 0.00 0.00 178.15 177.01 3g68 h ASP 123 N 0.00 0.00 0.57 2.16 3.32 -1.56 -3.18 116.42 117.73 3g68 h ASP 123 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 3g68 h ASP 123 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.70 3g68 h ASP 123 CO 0.00 0.10 0.00 -0.62 -1.72 0.00 0.00 179.24 177.00 3g68 n GLU 124 N -3.47 0.17 -0.07 3.56 1.02 -1.02 -2.30 120.64 118.53 3g68 n GLU 124 Ca -0.01 0.45 0.04 0.00 -0.02 0.00 0.00 57.16 57.62 3g68 n GLU 124 Cb 0.25 -1.85 0.06 0.00 -0.02 0.00 0.00 31.44 29.89 3g68 n GLU 124 CO 0.00 0.00 0.00 0.44 1.18 0.00 0.00 177.13 178.75 3g68 n ILE 125 N -2.17 1.26 -4.26 -3.67 -5.35 -1.20 -5.06 119.36 98.90 3g68 n ILE 125 Ca 0.02 -1.43 -0.35 0.00 -0.27 0.00 0.00 62.75 60.72 3g68 n ILE 125 Cb 0.19 0.21 -0.09 0.00 -1.74 0.00 0.00 39.64 38.21 3g68 n ILE 125 CO 0.00 0.00 0.00 -0.55 -1.76 0.00 0.00 176.55 174.24 3g68 s SER 126 N -1.77 5.43 -0.01 7.28 0.15 -0.97 -4.82 113.70 118.99 3g68 s SER 126 Ca 0.14 0.16 0.10 0.00 0.70 0.00 0.00 55.95 57.05 3g68 s SER 126 Cb 0.12 -1.55 -0.23 0.00 -1.71 0.00 0.00 66.02 62.65 3g68 s SER 126 CO 0.01 0.35 0.79 0.44 1.20 0.00 0.00 173.24 176.04 3g68 h ASP 127 N 4.85 0.04 -3.38 5.45 3.32 -0.90 -3.44 116.42 122.36 3g68 h ASP 127 Ca -0.51 -0.07 -0.57 0.00 0.02 0.00 0.00 57.03 55.90 3g68 h ASP 127 Cb 1.19 -0.01 -0.39 0.00 0.22 0.00 0.00 39.33 40.34 3g68 h ASP 127 CO 0.56 1.06 -0.77 -0.31 -1.72 0.00 0.00 179.24 178.07 3g68 s TYR 128 N -2.62 1.75 -0.62 4.55 2.02 -0.90 -5.03 117.35 116.49 3g68 s TYR 128 Ca -0.04 -1.44 -0.22 0.00 -0.37 0.00 0.00 57.07 54.99 3g68 s TYR 128 Cb 0.08 -1.44 0.07 0.00 -0.40 0.00 0.00 41.96 40.27 3g68 s TYR 128 CO 0.82 -0.74 0.90 0.42 -1.57 0.00 0.00 175.55 175.38 3g68 s ILE 129 N 1.61 4.45 -0.88 2.71 1.01 -1.26 -1.61 121.20 127.23 3g68 s ILE 129 Ca 0.00 -0.37 0.01 0.00 0.00 0.00 0.00 60.65 60.29 3g68 s ILE 129 Cb -0.18 -4.61 0.33 0.00 0.01 0.00 0.00 42.46 38.01 3g68 s ILE 129 CO -0.11 -1.31 1.52 0.18 0.00 0.00 0.00 174.94 175.22 3g68 n LEU 130 N 7.36 6.37 -4.62 2.97 4.77 0.03 -4.96 117.00 128.92 3g68 n LEU 130 Ca -0.04 -5.49 -0.48 0.00 -0.03 0.00 0.00 56.01 49.97 3g68 n LEU 130 Cb 0.45 -0.96 -0.04 0.00 -2.33 0.00 0.00 43.42 40.53 3g68 n LEU 130 CO 0.62 2.15 0.94 0.41 -1.33 0.00 0.00 177.39 180.18 3g68 n THR 131 N -0.09 0.43 -2.80 -5.08 -1.04 -1.26 -4.53 114.28 99.90 3g68 n THR 131 Ca 0.41 -0.11 -0.43 0.00 -2.04 0.00 0.00 64.05 61.89 3g68 n THR 131 Cb 0.31 -1.11 -0.04 0.00 -1.82 0.00 0.00 70.33 67.66 3g68 n THR 131 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 3g68 s VAL 132 N 0.29 4.41 -1.31 12.58 1.01 0.47 -4.94 120.40 132.92 3g68 s VAL 132 Ca 0.77 0.65 -0.07 0.00 0.00 0.00 0.00 61.98 63.33 3g68 s VAL 132 Cb -0.81 -4.48 0.14 0.00 0.00 0.00 0.00 36.38 31.23 3g68 s VAL 132 CO 0.47 -0.94 2.18 0.59 0.00 0.00 0.00 175.10 177.39 3g68 n ASN 133 N 7.34 6.87 -0.31 3.32 5.03 -1.26 -4.29 115.26 131.95 3g68 n ASN 133 Ca 0.05 -3.13 0.11 0.00 0.87 0.00 0.00 54.58 52.48 3g68 n ASN 133 Cb 0.48 -1.41 0.01 0.00 -1.02 0.00 0.00 39.78 37.85 3g68 n ASN 133 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 3g68 n GLY 135 N 1.44 -1.67 3.75 0.00 0.00 -1.26 -4.93 105.19 102.52 3g68 n GLY 135 Ca 0.08 -1.54 -0.38 0.00 0.00 0.00 0.00 46.02 44.18 3g68 n GLY 135 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 3g68 s GLU 136 N -1.98 3.04 -0.34 1.61 -1.05 -1.26 -4.93 118.70 113.79 3g68 s GLU 136 Ca 0.00 2.12 0.01 0.00 -0.15 0.00 0.00 54.97 56.95 3g68 s GLU 136 Cb 0.00 -2.14 0.14 0.00 -0.44 0.00 0.00 34.13 31.69 3g68 s GLU 136 CO 0.00 -1.23 0.28 -2.00 0.95 0.00 0.00 175.26 173.25 3g68 s GLU 137 N -3.04 0.50 0.00 -4.83 2.12 -1.26 -5.03 118.70 107.17 3g68 s GLU 137 Ca 0.74 -0.86 0.20 0.00 0.36 0.00 0.00 54.97 55.40 3g68 s GLU 137 Cb -0.38 -0.96 1.10 0.00 0.26 0.00 0.00 34.13 34.15 3g68 s GLU 137 CO 0.43 -1.15 1.60 1.63 -0.54 0.00 0.00 175.26 177.23 3g68 n LYS 138 N 4.47 0.46 -3.35 4.30 4.01 -1.26 -4.84 118.16 121.94 3g68 n LYS 138 Ca 0.07 0.05 -0.36 0.00 -0.51 0.00 0.00 58.31 57.56 3g68 n LYS 138 Cb 0.42 -1.50 -0.06 0.00 -0.51 0.00 0.00 35.03 33.38 3g68 n LYS 138 CO 0.00 0.00 0.00 0.45 -1.11 0.00 0.00 177.40 176.74 3g68 s SER 139 N -2.28 6.87 0.35 4.39 0.15 -1.26 -4.97 113.70 116.94 3g68 s SER 139 Ca 0.24 1.10 0.04 0.00 0.70 0.00 0.00 55.95 58.04 3g68 s SER 139 Cb 0.14 -2.30 0.64 0.00 -1.71 0.00 0.00 66.02 62.79 3g68 s SER 139 CO 0.27 0.15 1.93 1.23 1.20 0.00 0.00 173.24 178.02 3g68 h GLY 140 N 3.83 0.65 -7.63 9.45 0.00 -1.67 -3.36 103.07 104.33 3g68 h GLY 140 Ca -0.49 -0.33 -0.75 0.00 0.00 0.00 0.00 47.33 45.76 3g68 h GLY 140 CO 0.65 0.31 0.76 0.00 0.00 0.00 0.00 176.54 178.26 3g68 s ALA 141 N -5.22 4.03 0.27 3.60 0.00 -1.26 -5.02 121.76 118.16 3g68 s ALA 141 Ca -0.08 -3.31 -0.30 0.00 0.00 0.00 0.00 51.96 48.27 3g68 s ALA 141 Cb 0.16 -3.86 -0.10 0.00 0.00 0.00 0.00 23.12 19.33 3g68 s ALA 141 CO 0.76 -2.60 1.34 0.15 0.00 0.00 0.00 175.76 175.42 3g68 s LYS 142 N 0.92 4.35 0.11 0.00 -0.14 -1.26 -4.91 119.74 118.81 3g68 s LYS 142 Ca 0.32 2.18 0.00 0.00 -1.36 0.00 0.00 55.97 57.12 3g68 s LYS 142 Cb -0.06 -3.12 0.00 0.00 -1.68 0.00 0.00 37.83 32.96 3g68 s LYS 142 CO -0.06 -0.26 0.00 0.25 -0.76 0.00 0.00 175.35 174.51 3g68 n THR 143 N 1.82 0.50 -0.27 2.17 -2.24 -1.26 -4.71 114.28 110.29 3g68 n THR 143 Ca 0.04 0.17 -0.04 0.00 -2.27 0.00 0.00 64.05 61.95 3g68 n THR 143 Cb 0.42 -0.99 0.02 0.00 -2.10 0.00 0.00 70.33 67.68 3g68 n THR 143 CO 0.00 0.00 0.00 0.50 -0.57 0.00 0.00 175.07 175.00 3g68 h LYS 144 N 0.00 -0.10 -0.47 -0.78 3.64 -1.91 -0.29 116.57 116.65 3g68 h LYS 144 Ca 0.00 0.01 0.06 0.00 -1.27 0.00 0.00 60.65 59.44 3g68 h LYS 144 Cb 0.00 0.02 -0.03 0.00 -0.41 0.00 0.00 32.23 31.82 3g68 h LYS 144 CO 0.00 -0.07 0.32 0.78 -2.27 0.00 0.00 179.45 178.21 3g68 h GLY 145 N -0.10 0.50 0.65 5.01 0.00 -1.93 -0.95 103.07 106.25 3g68 h GLY 145 Ca 0.28 -0.16 -0.01 0.00 0.00 0.00 0.00 47.33 47.44 3g68 h GLY 145 CO -0.80 0.13 -0.06 -1.82 0.00 0.00 0.00 176.54 173.99 3g68 h TYR 146 N 0.41 -0.15 -0.27 5.60 3.20 -1.34 -0.59 116.97 123.83 3g68 h TYR 146 Ca 0.21 -0.00 0.01 0.00 3.14 0.00 0.00 58.73 62.08 3g68 h TYR 146 Cb 0.29 0.05 -0.02 0.00 1.54 0.00 0.00 36.73 38.60 3g68 h TYR 146 CO -0.00 0.19 0.15 1.88 -1.64 0.00 0.00 178.16 178.75 3g68 h TYR 147 N -0.52 0.29 -0.36 -3.82 0.05 -1.16 -2.22 116.97 109.22 3g68 h TYR 147 Ca -0.02 0.01 -0.04 0.00 0.05 0.00 0.00 58.73 58.73 3g68 h TYR 147 Cb 0.41 -0.09 -0.02 0.00 1.01 0.00 0.00 36.73 38.04 3g68 h TYR 147 CO 0.04 0.17 0.06 0.00 -1.05 0.00 0.00 178.16 177.38 3g68 h THR 149 N 0.53 1.39 -0.54 0.00 2.02 -0.93 -0.77 112.91 114.61 3g68 h THR 149 Ca 0.12 -1.59 0.05 0.00 0.77 0.00 0.00 66.41 65.76 3g68 h THR 149 Cb 0.25 2.15 -0.05 0.00 -1.74 0.00 0.00 68.15 68.76 3g68 h THR 149 CO 0.00 0.46 0.27 0.11 0.37 0.00 0.00 175.52 176.73 3g68 h LYS 150 N -0.07 0.50 -0.28 6.66 1.57 -1.33 -1.32 116.57 122.30 3g68 h LYS 150 Ca -0.00 -0.03 0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3g68 h LYS 150 Cb 0.89 -0.11 -0.04 0.00 0.08 0.00 0.00 32.23 33.05 3g68 h LYS 150 CO 0.06 0.33 0.06 1.25 -0.57 0.00 0.00 179.45 180.58 3g68 h LEU 151 N 0.51 0.03 -1.22 2.94 5.85 -1.12 -2.47 115.31 119.84 3g68 h LEU 151 Ca 0.25 0.04 0.00 0.00 0.84 0.00 0.00 57.88 59.01 3g68 h LEU 151 Cb 0.18 0.05 -0.04 0.00 0.37 0.00 0.00 40.66 41.22 3g68 h LEU 151 CO -0.18 0.05 0.47 -1.13 -0.34 0.00 0.00 178.44 177.31 3g68 h ASN 152 N 0.17 0.88 0.00 1.25 -1.24 -0.73 -0.72 115.58 115.19 3g68 h ASN 152 Ca 0.13 -0.04 0.00 0.00 0.71 0.00 0.00 56.30 57.10 3g68 h ASN 152 Cb 0.13 -0.22 0.00 0.00 0.73 0.00 0.00 38.32 38.96 3g68 h ASN 152 CO -0.16 0.66 0.00 0.18 -1.29 0.00 0.00 177.43 176.82 3g68 n LEU 153 N -4.40 0.63 0.00 0.34 4.77 -0.53 -1.32 117.00 116.48 3g68 n LEU 153 Ca 0.08 -0.31 0.00 0.00 -0.03 0.00 0.00 56.01 55.75 3g68 n LEU 153 Cb 0.05 -0.15 0.00 0.00 -2.33 0.00 0.00 43.42 40.99 3g68 n LEU 153 CO 0.37 0.11 0.00 0.18 -1.33 0.00 0.00 177.39 176.72 3g68 n LEU 155 N 0.64 0.00 -0.19 2.23 4.77 -0.28 -2.28 117.00 121.90 3g68 n LEU 155 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.98 3g68 n LEU 155 Cb 0.11 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.31 3g68 n LEU 155 CO 0.00 0.00 0.93 0.25 -1.33 0.00 0.00 177.39 177.24 3g68 h LEU 156 N 0.00 0.04 0.04 2.23 5.85 -1.46 0.36 115.31 122.37 3g68 h LEU 156 Ca 0.00 0.10 -0.00 0.00 0.84 0.00 0.00 57.88 58.82 3g68 h LEU 156 Cb 0.00 0.13 0.00 0.00 0.37 0.00 0.00 40.66 41.16 3g68 h LEU 156 CO 0.00 0.03 -0.02 1.23 -0.34 0.00 0.00 178.44 179.34 3g68 h GLY 157 N 0.28 -0.06 1.01 3.75 0.00 -1.73 -1.69 103.07 104.63 3g68 h GLY 157 Ca 0.30 0.02 0.00 0.00 0.00 0.00 0.00 47.33 47.66 3g68 h GLY 157 CO -0.37 -0.02 0.52 1.41 0.00 0.00 0.00 176.54 178.08 3g68 h LEU 158 N -0.21 0.94 -0.33 3.11 3.38 -1.80 0.21 115.31 120.61 3g68 h LEU 158 Ca -0.01 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 57.92 3g68 h LEU 158 Cb 0.19 -0.24 -0.02 0.00 0.09 0.00 0.00 40.66 40.69 3g68 h LEU 158 CO 0.01 0.70 0.16 1.56 0.09 0.00 0.00 178.44 180.95 3g68 h GLN 159 N 1.10 0.48 0.02 1.13 1.08 -0.83 -0.46 115.11 117.63 3g68 h GLN 159 Ca 0.30 -0.07 -0.00 0.00 -1.45 0.00 0.00 58.65 57.42 3g68 h GLN 159 Cb -0.10 -0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.24 3g68 h GLN 159 CO -0.06 0.45 -0.01 0.82 -0.95 0.00 0.00 178.83 179.08 3g68 h ILE 160 N 0.40 1.12 -0.82 2.54 2.04 -1.18 -2.06 117.51 119.55 3g68 h ILE 160 Ca 0.11 -0.44 0.11 0.00 1.00 0.00 0.00 64.86 65.65 3g68 h ILE 160 Cb 0.13 1.42 -0.08 0.00 -0.74 0.00 0.00 36.82 37.55 3g68 h ILE 160 CO -0.01 0.11 0.44 0.00 0.00 0.00 0.00 178.15 178.69 3g68 h ALA 161 N 0.76 1.19 -0.26 1.87 0.00 -0.40 -0.66 119.26 121.76 3g68 h ALA 161 Ca -0.00 0.05 -0.13 0.00 0.00 0.00 0.00 54.91 54.84 3g68 h ALA 161 Cb 0.20 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3g68 h ALA 161 CO 0.00 0.01 -0.33 -0.09 0.00 0.00 0.00 179.25 178.85 3g68 h ARG 162 N 0.71 0.69 -0.64 0.00 2.43 -1.06 0.58 114.38 117.08 3g68 h ARG 162 Ca 0.42 -0.39 -0.05 0.00 -0.81 0.00 0.00 59.98 59.15 3g68 h ARG 162 Cb 0.47 0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 30.02 3g68 h ARG 162 CO -0.29 1.00 0.18 1.49 -1.51 0.00 0.00 179.97 180.84 3g68 h GLU 163 N 0.42 1.00 -0.00 0.20 4.57 -0.76 -2.93 114.58 117.08 3g68 h GLU 163 Ca 0.03 -0.22 0.00 0.00 -1.18 0.00 0.00 59.36 57.99 3g68 h GLU 163 Cb 0.90 -0.14 0.00 0.00 -0.16 0.00 0.00 28.75 29.35 3g68 h GLU 163 CO 0.08 0.89 -0.02 1.63 -1.18 0.00 0.00 179.01 180.41 3g68 n LYS 164 N -4.35 1.07 -0.78 1.92 4.76 -0.31 -4.92 118.16 115.56 3g68 n LYS 164 Ca 0.04 -0.27 0.00 0.00 -2.87 0.00 0.00 58.31 55.21 3g68 n LYS 164 Cb 0.23 -1.49 0.00 0.00 -1.84 0.00 0.00 35.03 31.92 3g68 n LYS 164 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 3g68 n GLY 165 N 1.11 0.61 0.24 0.72 0.00 -0.99 -4.94 105.19 101.93 3g68 n GLY 165 Ca 0.21 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 46.10 3g68 n GLY 165 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g68 h ILE 166 N 0.00 1.28 -4.01 -0.61 2.04 -1.15 -3.43 117.51 111.64 3g68 h ILE 166 Ca 0.00 -1.40 -0.61 0.00 1.00 0.00 0.00 64.86 63.85 3g68 h ILE 166 Cb 0.00 1.37 -0.23 0.00 -0.74 0.00 0.00 36.82 37.22 3g68 h ILE 166 CO 0.00 0.46 -0.85 0.27 0.00 0.00 0.00 178.15 178.04 3g68 s ILE 167 N -4.53 1.88 0.93 -0.67 -4.36 -1.05 -5.02 121.20 108.40 3g68 s ILE 167 Ca -0.12 -1.52 -0.14 0.00 -0.26 0.00 0.00 60.65 58.61 3g68 s ILE 167 Cb 0.10 -1.68 0.16 0.00 1.25 0.00 0.00 42.46 42.29 3g68 s ILE 167 CO 0.84 0.07 1.19 -0.94 0.24 0.00 0.00 174.94 176.35 3g68 s SER 168 N -1.74 3.37 0.28 4.36 1.04 -1.26 -4.25 113.70 115.49 3g68 s SER 168 Ca 0.09 0.71 -0.01 0.00 0.48 0.00 0.00 55.95 57.21 3g68 s SER 168 Cb -0.10 -1.09 0.39 0.00 0.10 0.00 0.00 66.02 65.33 3g68 s SER 168 CO 0.04 -2.61 1.81 0.28 0.98 0.00 0.00 173.24 173.74 3g68 h SER 169 N -1.55 0.76 -0.31 7.02 0.02 -2.00 -2.05 113.55 115.45 3g68 h SER 169 Ca -0.47 -0.15 -0.07 0.00 -0.84 0.00 0.00 61.79 60.26 3g68 h SER 169 Cb 1.30 -0.20 -0.01 0.00 0.14 0.00 0.00 62.40 63.63 3g68 h SER 169 CO 0.54 0.77 -0.07 -0.08 -1.14 0.00 0.00 176.83 176.85 3g68 h GLU 170 N 0.77 0.60 -0.71 3.45 4.57 -1.99 -1.87 114.58 119.40 3g68 h GLU 170 Ca 0.17 -0.23 -0.04 0.00 -1.18 0.00 0.00 59.36 58.09 3g68 h GLU 170 Cb 0.33 -0.04 -0.03 0.00 -0.16 0.00 0.00 28.75 28.85 3g68 h GLU 170 CO 0.00 0.78 0.30 -0.22 -1.18 0.00 0.00 179.01 178.70 3g68 h LYS 171 N 0.37 1.04 -0.09 1.92 1.63 -1.90 -0.21 116.57 119.33 3g68 h LYS 171 Ca 0.08 -0.17 0.02 0.00 -0.85 0.00 0.00 60.65 59.74 3g68 h LYS 171 Cb 0.55 -0.18 -0.02 0.00 -0.60 0.00 0.00 32.23 31.98 3g68 h LYS 171 CO 0.03 0.83 -0.04 -0.92 -3.45 0.00 0.00 179.45 175.90 3g68 h TYR 172 N 1.02 -0.08 -0.90 1.91 5.03 -1.24 -1.01 116.97 121.70 3g68 h TYR 172 Ca 0.24 0.01 -0.00 0.00 2.58 0.00 0.00 58.73 61.56 3g68 h TYR 172 Cb 0.17 0.05 -0.04 0.00 1.55 0.00 0.00 36.73 38.45 3g68 h TYR 172 CO 0.01 -0.06 0.56 -0.91 -1.32 0.00 0.00 178.16 176.45 3g68 h ASN 173 N -0.02 1.07 -0.94 -2.11 2.35 -0.97 -1.54 115.58 113.42 3g68 h ASN 173 Ca 0.05 -0.05 -0.00 0.00 -0.55 0.00 0.00 56.30 55.74 3g68 h ASN 173 Cb 0.10 -0.27 -0.05 0.00 0.05 0.00 0.00 38.32 38.15 3g68 h ASN 173 CO -0.11 0.81 0.58 -0.33 -1.65 0.00 0.00 177.43 176.72 3g68 h GLU 174 N 1.24 1.28 -0.36 0.81 5.08 -0.56 -0.76 114.58 121.31 3g68 h GLU 174 Ca 0.33 -0.11 -0.09 0.00 -1.00 0.00 0.00 59.36 58.49 3g68 h GLU 174 Cb -0.08 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 28.89 3g68 h GLU 174 CO -0.06 0.88 -0.11 0.93 -1.00 0.00 0.00 179.01 179.65 3g68 h GLU 175 N 1.30 0.71 -0.59 2.33 4.39 -0.76 -2.22 114.58 119.74 3g68 h GLU 175 Ca 0.34 -0.28 0.06 0.00 0.34 0.00 0.00 59.36 59.81 3g68 h GLU 175 Cb -0.07 -0.03 -0.05 0.00 -0.10 0.00 0.00 28.75 28.49 3g68 h GLU 175 CO -0.07 0.88 0.30 0.82 -1.16 0.00 0.00 179.01 179.78 3g68 h ILE 176 N 0.50 0.94 -0.98 3.13 1.08 -0.99 -0.90 117.51 120.28 3g68 h ILE 176 Ca 0.09 -0.20 0.07 0.00 -0.39 0.00 0.00 64.86 64.43 3g68 h ILE 176 Cb 0.63 0.32 -0.07 0.00 -3.07 0.00 0.00 36.82 34.63 3g68 h ILE 176 CO 0.04 0.10 0.63 0.78 -0.69 0.00 0.00 178.15 179.01 3g68 h ASN 177 N 0.57 0.99 -0.54 1.72 2.35 -1.02 -0.16 115.58 119.49 3g68 h ASN 177 Ca 0.26 0.02 -0.06 0.00 -0.55 0.00 0.00 56.30 55.97 3g68 h ASN 177 Cb 0.18 -0.19 -0.02 0.00 0.05 0.00 0.00 38.32 38.34 3g68 h ASN 177 CO -0.18 0.62 0.10 0.11 -1.65 0.00 0.00 177.43 176.43 3g68 h LYS 178 N 1.12 0.89 -0.30 0.81 1.57 -0.75 -0.17 116.57 119.75 3g68 h LYS 178 Ca 0.43 -0.23 0.00 0.00 -1.87 0.00 0.00 60.65 58.98 3g68 h LYS 178 Cb 0.22 -0.11 -0.01 0.00 0.08 0.00 0.00 32.23 32.40 3g68 h LYS 178 CO -0.19 0.85 0.19 0.82 -0.57 0.00 0.00 179.45 180.56 3g68 h ILE 179 N 0.78 1.09 -0.97 1.86 2.04 -0.54 -2.08 117.51 119.68 3g68 h ILE 179 Ca 0.17 -0.18 0.04 0.00 1.00 0.00 0.00 64.86 65.88 3g68 h ILE 179 Cb 0.39 0.68 -0.06 0.00 -0.74 0.00 0.00 36.82 37.09 3g68 h ILE 179 CO 0.01 0.08 0.64 -0.07 0.00 0.00 0.00 178.15 178.81 3g68 h LEU 180 N 0.39 1.06 -0.79 1.44 3.38 -0.83 -0.75 115.31 119.22 3g68 h LEU 180 Ca 0.11 -0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.10 3g68 h LEU 180 Cb -0.02 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 40.43 3g68 h LEU 180 CO -0.02 0.73 0.50 -0.78 0.09 0.00 0.00 178.44 178.95 3g68 h ASP 181 N 1.23 0.81 -0.42 -0.43 3.58 -0.69 -0.16 116.42 120.35 3g68 h ASP 181 Ca 0.39 0.00 -0.04 0.00 0.42 0.00 0.00 57.03 57.80 3g68 h ASP 181 Cb 0.00 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 40.86 3g68 h ASP 181 CO -0.12 0.55 0.12 0.00 -2.88 0.00 0.00 179.24 176.91 3g68 h ALA 182 N 1.34 0.56 -0.76 -0.78 0.00 -0.60 -2.99 119.26 116.02 3g68 h ALA 182 Ca 0.32 -0.18 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 3g68 h ALA 182 Cb 0.05 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 17.64 3g68 h ALA 182 CO -0.13 0.22 0.39 0.82 0.00 0.00 0.00 179.25 180.56 3g68 h ILE 183 N 0.54 1.24 -0.00 0.00 2.04 -0.84 -2.28 117.51 118.21 3g68 h ILE 183 Ca 0.13 -0.62 0.00 0.00 1.00 0.00 0.00 64.86 65.38 3g68 h ILE 183 Cb 0.29 0.25 -0.00 0.00 -0.74 0.00 0.00 36.82 36.62 3g68 h ILE 183 CO -0.00 0.27 0.01 0.78 0.00 0.00 0.00 178.15 179.20 3g68 h ASN 184 N 1.06 0.00 0.47 1.72 2.35 -0.89 -2.04 115.58 118.25 3g68 h ASN 184 Ca 0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 56.01 3g68 h ASN 184 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3g68 h ASN 184 CO -0.04 0.00 -0.45 0.54 -1.65 0.00 0.00 177.43 175.83 3g68 n ARG 185 N -3.50 0.13 -0.10 0.81 1.74 -0.86 -4.50 116.66 110.37 3g68 n ARG 185 Ca -0.03 -0.07 -0.06 0.00 -0.77 0.00 0.00 57.85 56.92 3g68 n ARG 185 Cb 0.08 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 3g68 n ARG 185 CO 0.00 0.00 0.00 0.35 -1.52 0.00 0.00 177.63 176.46 3g68 h PHE 186 N 0.18 -0.41 -0.34 -1.55 3.04 -1.37 -1.79 116.94 114.69 3g68 h PHE 186 Ca 0.00 0.04 0.05 0.00 3.98 0.00 0.00 57.97 62.04 3g68 h PHE 186 Cb 0.50 0.24 -0.04 0.00 2.56 0.00 0.00 35.95 39.20 3g68 h PHE 186 CO 0.00 -0.25 0.09 1.49 -2.02 0.00 0.00 178.31 177.62 3g68 h GLU 187 N -0.11 0.21 -0.72 1.11 4.81 -1.79 -0.03 114.58 118.05 3g68 h GLU 187 Ca 0.18 -0.01 -0.05 0.00 -0.13 0.00 0.00 59.36 59.34 3g68 h GLU 187 Cb 0.38 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.68 3g68 h GLU 187 CO -0.42 0.14 0.23 0.00 -0.73 0.00 0.00 179.01 178.23 3g68 h ALA 188 N 1.24 1.05 -0.55 2.92 0.00 -1.77 -0.39 119.26 121.77 3g68 h ALA 188 Ca 0.16 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.78 3g68 h ALA 188 Cb 0.16 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3g68 h ALA 188 CO -0.19 0.65 0.06 0.28 0.00 0.00 0.00 179.25 180.04 3g68 h VAL 189 N 1.07 1.26 -0.45 0.00 2.07 -0.79 -2.35 116.25 117.06 3g68 h VAL 189 Ca 0.24 -1.01 0.01 0.00 0.82 0.00 0.00 66.70 66.75 3g68 h VAL 189 Cb 0.28 0.85 -0.03 0.00 -1.52 0.00 0.00 31.29 30.88 3g68 h VAL 189 CO -0.01 0.36 0.28 0.22 0.02 0.00 0.00 177.57 178.45 3g68 h TYR 190 N 0.81 0.54 -0.21 1.57 5.03 -0.66 0.11 116.97 124.16 3g68 h TYR 190 Ca 0.16 0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.46 3g68 h TYR 190 Cb 0.45 -0.18 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 3g68 h TYR 190 CO 0.03 0.33 0.03 0.87 -1.32 0.00 0.00 178.16 178.10 3g68 h LYS 191 N 0.58 0.34 -0.63 1.82 6.56 -0.91 -1.12 116.57 123.21 3g68 h LYS 191 Ca 0.17 -0.09 -0.05 0.00 -1.06 0.00 0.00 60.65 59.61 3g68 h LYS 191 Cb -0.04 -0.04 -0.03 0.00 -0.57 0.00 0.00 32.23 31.56 3g68 h LYS 191 CO -0.05 0.50 0.19 -0.07 -2.06 0.00 0.00 179.45 177.95 3g68 h LEU 192 N 0.14 0.91 -0.70 2.94 3.38 -1.35 -2.65 115.31 117.97 3g68 h LEU 192 Ca 0.06 -0.16 -0.01 0.00 0.09 0.00 0.00 57.88 57.86 3g68 h LEU 192 Cb 0.32 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.80 3g68 h LEU 192 CO 0.00 0.86 0.41 0.28 0.09 0.00 0.00 178.44 180.08 3g68 h SER 193 N 0.94 0.85 -0.85 -0.43 0.02 -0.67 -1.49 113.55 111.91 3g68 h SER 193 Ca 0.21 -0.07 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 3g68 h SER 193 Cb 0.29 -0.22 -0.04 0.00 0.14 0.00 0.00 62.40 62.57 3g68 h SER 193 CO -0.01 0.68 0.48 0.50 -1.14 0.00 0.00 176.83 177.34 3g68 h LYS 194 N 0.96 1.19 -0.36 3.45 3.64 -0.87 -0.09 116.57 124.49 3g68 h LYS 194 Ca 0.25 -0.13 -0.09 0.00 -1.27 0.00 0.00 60.65 59.41 3g68 h LYS 194 Cb -0.01 -0.24 -0.01 0.00 -0.41 0.00 0.00 32.23 31.56 3g68 h LYS 194 CO -0.05 0.86 -0.12 1.96 -2.27 0.00 0.00 179.45 179.84 3g68 h GLN 195 N 1.20 0.71 -0.66 1.90 4.20 -1.24 -2.13 115.11 119.08 3g68 h GLN 195 Ca 0.30 -0.28 -0.02 0.00 0.06 0.00 0.00 58.65 58.71 3g68 h GLN 195 Cb 0.01 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3g68 h GLN 195 CO -0.05 0.88 0.33 2.35 -0.67 0.00 0.00 178.83 181.67 3g68 h TRP 196 N 0.49 0.95 -0.67 2.96 7.01 -0.98 -0.91 115.95 124.80 3g68 h TRP 196 Ca 0.09 -0.04 -0.03 0.00 2.11 0.00 0.00 58.89 61.02 3g68 h TRP 196 Cb 0.63 -0.30 -0.03 0.00 -2.10 0.00 0.00 29.16 27.37 3g68 h TRP 196 CO 0.05 0.70 0.31 0.82 -2.79 0.00 0.00 178.44 177.54 3g68 h ILE 197 N 0.92 1.23 -0.62 2.65 2.04 -0.89 -2.11 117.51 120.73 3g68 h ILE 197 Ca 0.23 -0.66 -0.04 0.00 1.00 0.00 0.00 64.86 65.39 3g68 h ILE 197 Cb 0.10 0.42 -0.03 0.00 -0.74 0.00 0.00 36.82 36.57 3g68 h ILE 197 CO -0.03 0.27 0.25 -0.08 0.00 0.00 0.00 178.15 178.56 3g68 h GLU 198 N 0.94 0.93 -0.41 2.37 4.57 -1.03 -0.42 114.58 121.52 3g68 h GLU 198 Ca 0.23 -0.17 -0.05 0.00 -1.18 0.00 0.00 59.36 58.19 3g68 h GLU 198 Cb 0.14 -0.15 -0.02 0.00 -0.16 0.00 0.00 28.75 28.56 3g68 h GLU 198 CO -0.03 0.79 0.05 -0.09 -1.18 0.00 0.00 179.01 178.55 3g68 h ARG 199 N 0.87 0.63 -0.43 1.92 2.43 -0.96 -3.04 114.38 115.81 3g68 h ARG 199 Ca 0.21 -0.13 -0.02 0.00 -0.81 0.00 0.00 59.98 59.23 3g68 h ARG 199 Cb 0.20 -0.09 -0.01 0.00 -0.42 0.00 0.00 29.97 29.64 3g68 h ARG 199 CO -0.02 0.61 0.02 0.09 -1.51 0.00 0.00 179.97 179.17 3g68 n ASN 200 N -4.28 4.66 -0.19 -3.80 3.02 -0.81 -4.76 115.26 109.09 3g68 n ASN 200 Ca 0.02 -3.03 -0.02 0.00 -0.03 0.00 0.00 54.58 51.52 3g68 n ASN 200 Cb 0.23 -0.62 0.08 0.00 -0.61 0.00 0.00 39.78 38.86 3g68 n ASN 200 CO 0.00 0.00 0.00 0.50 -2.62 0.00 0.00 177.26 175.14 3g68 h LYS 201 N 2.71 0.49 0.21 3.52 3.64 -0.96 -1.61 116.57 124.57 3g68 h LYS 201 Ca 0.03 -0.03 -0.01 0.00 -1.27 0.00 0.00 60.65 59.37 3g68 h LYS 201 Cb 1.74 -0.11 -0.00 0.00 -0.41 0.00 0.00 32.23 33.45 3g68 h LYS 201 CO 0.38 0.32 -0.12 1.49 -2.27 0.00 0.00 179.45 179.25 3g68 h GLU 202 N 0.50 -0.30 -0.77 1.90 4.81 -1.86 -0.78 114.58 118.08 3g68 h GLU 202 Ca 0.26 0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.50 3g68 h GLU 202 Cb 0.22 0.07 -0.04 0.00 0.63 0.00 0.00 28.75 29.63 3g68 h GLU 202 CO -0.21 -0.20 0.43 0.87 -0.73 0.00 0.00 179.01 179.17 3g68 h LYS 203 N -0.31 1.07 -0.44 1.92 1.57 -1.90 -2.34 116.57 116.15 3g68 h LYS 203 Ca -0.02 -0.12 -0.01 0.00 -1.87 0.00 0.00 60.65 58.62 3g68 h LYS 203 Cb 0.25 -0.21 -0.02 0.00 0.08 0.00 0.00 32.23 32.33 3g68 h LYS 203 CO 0.03 0.79 0.23 -0.07 -0.57 0.00 0.00 179.45 179.86 3g68 h LEU 204 N 1.07 0.57 -1.58 2.94 3.38 -0.98 -2.37 115.31 118.33 3g68 h LEU 204 Ca 0.27 -0.11 -0.01 0.00 0.09 0.00 0.00 57.88 58.12 3g68 h LEU 204 Cb 0.03 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3g68 h LEU 204 CO -0.04 0.52 0.13 0.58 0.09 0.00 0.00 178.44 179.71 3g68 h VAL 205 N 0.58 1.11 -0.17 1.22 2.07 -1.05 -2.20 116.25 117.81 3g68 h VAL 205 Ca 0.15 -0.33 0.00 0.00 0.82 0.00 0.00 66.70 67.34 3g68 h VAL 205 Cb 0.09 0.75 0.00 0.00 -1.52 0.00 0.00 31.29 30.61 3g68 h VAL 205 CO -0.02 0.13 0.00 0.59 0.02 0.00 0.00 177.57 178.29 3g68 n ASN 206 N -4.43 1.33 -4.64 0.57 3.02 -0.89 -4.92 115.26 105.30 3g68 n ASN 206 Ca 0.01 -1.75 -0.49 0.00 -0.03 0.00 0.00 54.58 52.32 3g68 n ASN 206 Cb 0.12 -0.11 -0.05 0.00 -0.61 0.00 0.00 39.78 39.13 3g68 n ASN 206 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3g68 n SER 207 N 0.13 2.51 -0.10 6.41 7.64 -0.83 -4.91 113.62 124.48 3g68 n SER 207 Ca 0.14 1.09 -0.13 0.00 1.01 0.00 0.00 58.87 60.97 3g68 n SER 207 Cb 0.25 -1.32 -0.09 0.00 -1.01 0.00 0.00 64.21 62.04 3g68 n SER 207 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 3g68 n LYS 208 N 3.28 0.51 -3.63 1.43 5.02 -1.26 -5.04 118.16 118.47 3g68 n LYS 208 Ca 0.18 0.11 -0.14 0.00 -2.02 0.00 0.00 58.31 56.45 3g68 n LYS 208 Cb 0.24 -1.39 -0.07 0.00 -0.02 0.00 0.00 35.03 33.79 3g68 n LYS 208 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3g68 s GLU 209 N -2.39 0.81 0.03 1.97 4.04 -1.26 -4.39 118.70 117.51 3g68 s GLU 209 Ca -0.26 0.94 0.06 0.00 0.04 0.00 0.00 54.97 55.76 3g68 s GLU 209 Cb 0.07 0.40 -0.02 0.00 0.02 0.00 0.00 34.13 34.59 3g68 s GLU 209 CO 0.45 -0.10 -0.19 0.42 -1.84 0.00 0.00 175.26 174.01 3g68 s ILE 210 N 0.33 1.49 0.01 1.83 1.01 -0.41 -1.29 121.20 124.17 3g68 s ILE 210 Ca 0.00 -1.04 0.05 0.00 0.00 0.00 0.00 60.65 59.65 3g68 s ILE 210 Cb -0.05 -1.29 -0.02 0.00 0.01 0.00 0.00 42.46 41.11 3g68 s ILE 210 CO 0.00 0.22 -0.14 -0.13 0.00 0.00 0.00 174.94 174.90 3g68 s ARG 211 N -0.96 1.04 -0.10 2.79 0.52 -0.39 -2.22 118.95 119.63 3g68 s ARG 211 Ca 0.06 -0.62 0.02 0.00 -0.52 0.00 0.00 55.73 54.68 3g68 s ARG 211 Cb -0.08 -1.03 -0.01 0.00 0.52 0.00 0.00 34.95 34.35 3g68 s ARG 211 CO 0.01 0.27 -0.17 0.42 0.02 0.00 0.00 175.30 175.85 3g68 s ILE 212 N -0.56 2.71 -0.20 1.52 1.01 -0.17 -1.17 121.20 124.34 3g68 s ILE 212 Ca 0.04 -0.81 -0.00 0.00 0.00 0.00 0.00 60.65 59.88 3g68 s ILE 212 Cb -0.06 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3g68 s ILE 212 CO 0.00 0.55 -0.16 -0.63 0.00 0.00 0.00 174.94 174.71 3g68 s ILE 213 N 0.04 2.39 0.35 2.92 1.01 0.14 -0.73 121.20 127.32 3g68 s ILE 213 Ca -0.06 -0.87 0.05 0.00 0.00 0.00 0.00 60.65 59.77 3g68 s ILE 213 Cb -0.15 -2.05 -0.07 0.00 0.01 0.00 0.00 42.46 40.20 3g68 s ILE 213 CO 0.05 0.48 0.03 -0.83 0.00 0.00 0.00 174.94 174.66 3g68 s GLY 214 N 1.33 2.21 0.46 6.18 0.00 -0.37 -0.65 107.32 116.47 3g68 s GLY 214 Ca 0.04 -2.13 -0.17 0.00 0.00 0.00 0.00 44.72 42.46 3g68 s GLY 214 CO -0.10 -1.92 0.92 -1.58 0.00 0.00 0.00 173.10 170.42 3g68 s HIS 215 N -3.06 3.40 0.45 1.90 2.46 -1.25 -1.05 115.29 118.14 3g68 s HIS 215 Ca 0.35 1.43 0.20 0.00 0.47 0.00 0.00 55.06 57.52 3g68 s HIS 215 Cb 0.09 -2.74 1.18 0.00 -0.13 0.00 0.00 32.58 30.97 3g68 s HIS 215 CO 0.16 -0.21 1.88 0.66 -2.47 0.00 0.00 174.74 174.76 3g68 h SER 216 N 1.40 0.30 0.20 9.88 4.64 -1.97 -0.62 113.55 127.37 3g68 h SER 216 Ca -0.48 0.03 -0.01 0.00 -0.47 0.00 0.00 61.79 60.87 3g68 h SER 216 Cb 1.18 -0.03 -0.00 0.00 -0.31 0.00 0.00 62.40 63.25 3g68 h SER 216 CO 0.62 0.12 -0.03 0.44 -0.87 0.00 0.00 176.83 177.12 3g68 h ASP 217 N 0.30 0.00 -0.16 4.97 3.32 -1.93 -2.57 116.42 120.36 3g68 h ASP 217 Ca 0.44 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.35 3g68 h ASP 217 Cb 1.23 0.00 -0.15 0.00 0.22 0.00 0.00 39.33 40.63 3g68 h ASP 217 CO -0.13 0.03 -0.65 2.30 -1.72 0.00 0.00 179.24 179.06 3g68 n ILE 218 N -3.39 1.95 -0.03 0.35 -5.35 -0.27 -4.87 119.36 107.75 3g68 n ILE 218 Ca -0.02 -3.14 -0.10 0.00 -0.27 0.00 0.00 62.75 59.22 3g68 n ILE 218 Cb 0.14 -0.19 -0.04 0.00 -1.74 0.00 0.00 39.64 37.80 3g68 n ILE 218 CO 0.00 0.00 0.00 0.22 -1.76 0.00 0.00 176.55 175.01 3g68 h TYR 219 N 1.29 0.23 -0.66 4.28 3.20 -1.08 0.22 116.97 124.44 3g68 h TYR 219 Ca 0.04 0.00 0.05 0.00 3.14 0.00 0.00 58.73 61.96 3g68 h TYR 219 Cb 1.23 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 39.37 3g68 h TYR 219 CO 0.69 0.15 0.38 0.78 -1.64 0.00 0.00 178.16 178.52 3g68 h GLY 220 N 0.24 0.96 1.61 1.82 0.00 -1.84 -1.12 103.07 104.74 3g68 h GLY 220 Ca 0.07 -0.27 -0.04 0.00 0.00 0.00 0.00 47.33 47.09 3g68 h GLY 220 CO -0.01 0.18 0.04 -0.55 0.00 0.00 0.00 176.54 176.20 3g68 h ASP 221 N 0.71 0.45 -0.22 0.19 3.32 -1.73 -0.76 116.42 118.38 3g68 h ASP 221 Ca 0.29 -0.07 -0.02 0.00 0.02 0.00 0.00 57.03 57.25 3g68 h ASP 221 Cb 0.14 -0.12 -0.01 0.00 0.22 0.00 0.00 39.33 39.56 3g68 h ASP 221 CO -0.16 0.49 0.07 0.74 -1.72 0.00 0.00 179.24 178.66 3g68 h THR 222 N 0.48 1.19 -0.89 0.35 2.02 -0.12 -0.24 112.91 115.70 3g68 h THR 222 Ca 0.11 -0.62 -0.02 0.00 0.77 0.00 0.00 66.41 66.65 3g68 h THR 222 Cb 0.25 1.19 -0.04 0.00 -1.74 0.00 0.00 68.15 67.81 3g68 h THR 222 CO 0.00 0.20 0.48 -0.07 0.37 0.00 0.00 175.52 176.50 3g68 h LEU 223 N 0.18 1.13 -0.34 2.58 3.38 -0.73 -2.41 115.31 119.09 3g68 h LEU 223 Ca 0.07 -0.11 -0.11 0.00 0.09 0.00 0.00 57.88 57.82 3g68 h LEU 223 Cb 0.24 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 3g68 h LEU 223 CO -0.00 0.91 -0.21 -0.08 0.09 0.00 0.00 178.44 179.15 3g68 h GLU 224 N 1.25 0.74 -0.75 1.13 4.57 -1.03 -1.12 114.58 119.37 3g68 h GLU 224 Ca 0.31 -0.34 0.07 0.00 -1.18 0.00 0.00 59.36 58.22 3g68 h GLU 224 Cb 0.05 -0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.56 3g68 h GLU 224 CO -0.05 0.96 0.44 0.00 -1.18 0.00 0.00 179.01 179.17 3g68 h ALA 225 N 0.76 1.03 -0.08 2.92 0.00 -0.94 -0.86 119.26 122.09 3g68 h ALA 225 Ca 0.07 0.01 -0.01 0.00 0.00 0.00 0.00 54.91 54.98 3g68 h ALA 225 Cb 0.76 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.40 3g68 h ALA 225 CO 0.06 0.12 0.01 0.00 0.00 0.00 0.00 179.25 179.43 3g68 h ALA 226 N 1.39 0.10 -0.64 0.00 0.00 -1.20 -1.49 119.26 117.42 3g68 h ALA 226 Ca 0.34 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3g68 h ALA 226 Cb 0.23 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 17.96 3g68 h ALA 226 CO -0.20 -0.23 0.41 1.25 0.00 0.00 0.00 179.25 180.48 3g68 h LEU 227 N -0.13 0.75 -0.53 0.00 5.85 -0.95 -0.25 115.31 120.05 3g68 h LEU 227 Ca 0.02 -0.04 -0.13 0.00 0.84 0.00 0.00 57.88 58.58 3g68 h LEU 227 Cb 0.31 -0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.14 3g68 h LEU 227 CO 0.00 0.56 -0.17 0.11 -0.34 0.00 0.00 178.44 178.60 3g68 h LYS 228 N 0.86 1.02 -0.54 1.25 1.79 -1.08 -1.25 116.57 118.62 3g68 h LYS 228 Ca 0.23 -0.41 -0.02 0.00 -2.18 0.00 0.00 60.65 58.27 3g68 h LYS 228 Cb -0.07 -0.05 -0.02 0.00 -1.58 0.00 0.00 32.23 30.51 3g68 h LYS 228 CO -0.05 1.09 0.26 -0.07 -1.08 0.00 0.00 179.45 179.61 3g68 h LEU 229 N 0.89 0.70 -0.27 2.94 3.38 -1.04 -2.33 115.31 119.57 3g68 h LEU 229 Ca 0.12 -0.12 0.06 0.00 0.09 0.00 0.00 57.88 58.03 3g68 h LEU 229 Cb 0.75 -0.18 -0.06 0.00 0.09 0.00 0.00 40.66 41.26 3g68 h LEU 229 CO 0.06 0.63 -0.10 0.25 0.09 0.00 0.00 178.44 179.36 3g68 h LEU 230 N 0.72 -0.35 -1.59 1.67 6.46 -0.74 -2.61 115.31 118.87 3g68 h LEU 230 Ca 0.18 0.09 -0.04 0.00 -0.12 0.00 0.00 57.88 58.00 3g68 h LEU 230 Cb 0.11 0.21 -0.01 0.00 -0.73 0.00 0.00 40.66 40.24 3g68 h LEU 230 CO -0.02 -0.13 -0.21 -0.33 -0.62 0.00 0.00 178.44 177.13 3g68 h GLU 231 N -0.05 0.00 -0.43 1.25 5.08 -1.10 0.34 114.58 119.68 3g68 h GLU 231 Ca 0.14 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.50 3g68 h GLU 231 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3g68 h GLU 231 CO -0.31 0.21 0.00 0.25 -1.00 0.00 0.00 179.01 178.16 3g68 n THR 232 N -4.22 2.55 0.00 1.13 -2.24 -0.89 -4.91 114.28 105.69 3g68 n THR 232 Ca -0.02 -1.63 0.00 0.00 -2.27 0.00 0.00 64.05 60.13 3g68 n THR 232 Cb 0.27 -0.27 0.00 0.00 -2.10 0.00 0.00 70.33 68.24 3g68 n THR 232 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3g68 n ARG 234 N 0.11 0.00 -4.08 -0.78 1.74 0.11 -4.72 116.66 109.03 3g68 n ARG 234 Ca 0.25 0.00 -0.10 0.00 -0.77 0.00 0.00 57.85 57.23 3g68 n ARG 234 Cb 1.06 0.00 -0.08 0.00 -1.02 0.00 0.00 32.46 32.42 3g68 n ARG 234 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 3g68 s ILE 235 N 0.00 0.02 0.19 0.55 -4.36 -1.26 -5.12 121.20 111.22 3g68 s ILE 235 Ca 0.00 -1.68 -0.31 0.00 -0.26 0.00 0.00 60.65 58.40 3g68 s ILE 235 Cb 0.00 -2.25 -0.10 0.00 1.25 0.00 0.00 42.46 41.36 3g68 s ILE 235 CO 0.00 -0.08 1.53 -2.84 0.24 0.00 0.00 174.94 173.79 3g68 s PRO 236 N -4.07 4.23 -0.11 0.37 0.02 -1.26 -4.60 135.00 129.58 3g68 s PRO 236 Ca 0.28 2.35 -0.05 0.00 0.02 0.00 0.00 61.00 63.60 3g68 s PRO 236 Cb 0.04 -3.14 0.05 0.00 0.02 0.00 0.00 34.50 31.47 3g68 s PRO 236 CO 0.08 -0.55 0.24 0.08 -0.33 0.00 0.00 177.00 176.52 3g68 s VAL 237 N 0.75 -0.16 0.01 3.83 1.01 -1.26 -1.29 120.40 123.29 3g68 s VAL 237 Ca 0.66 0.20 0.02 0.00 0.00 0.00 0.00 61.98 62.87 3g68 s VAL 237 Cb -0.43 -0.39 -0.01 0.00 0.00 0.00 0.00 36.38 35.55 3g68 s VAL 237 CO 0.35 0.08 -0.07 -0.89 0.00 0.00 0.00 175.10 174.58 3g68 s THR 238 N 1.65 0.56 -0.09 3.92 2.01 -0.94 -4.76 115.64 117.99 3g68 s THR 238 Ca -0.06 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.43 3g68 s THR 238 Cb -0.11 -0.50 -0.04 0.00 0.01 0.00 0.00 72.50 71.86 3g68 s THR 238 CO -0.08 0.04 0.10 -0.83 -0.69 0.00 0.00 174.62 173.15 3g68 s GLY 239 N -0.48 2.05 0.02 4.40 0.00 -1.26 -0.99 107.32 111.06 3g68 s GLY 239 Ca 0.00 -0.72 -0.02 0.00 0.00 0.00 0.00 44.72 43.98 3g68 s GLY 239 CO -0.00 -0.50 0.02 -0.19 0.00 0.00 0.00 173.10 172.44 3g68 s TYR 240 N -1.03 0.20 0.39 1.90 1.51 0.09 -4.85 117.35 115.57 3g68 s TYR 240 Ca 0.16 -0.43 -0.22 0.00 -1.01 0.00 0.00 57.07 55.57 3g68 s TYR 240 Cb -0.12 -0.15 -0.11 0.00 -0.11 0.00 0.00 41.96 41.47 3g68 s TYR 240 CO 0.06 -0.23 0.94 -2.00 -1.11 0.00 0.00 175.55 173.20 3g68 s GLU 241 N -1.56 4.31 0.13 -0.62 -6.30 -1.26 -1.23 118.70 112.17 3g68 s GLU 241 Ca -0.15 1.15 -0.25 0.00 -2.50 0.00 0.00 54.97 53.23 3g68 s GLU 241 Cb -0.08 -2.36 -0.02 0.00 0.00 0.00 0.00 34.13 31.67 3g68 s GLU 241 CO -0.01 0.06 1.63 0.35 0.02 0.00 0.00 175.26 177.31 3g68 h PHE 242 N 2.27 -0.73 -0.85 5.30 3.04 -1.45 -0.28 116.94 124.25 3g68 h PHE 242 Ca -0.48 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 61.49 3g68 h PHE 242 Cb 1.18 0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.99 3g68 h PHE 242 CO 0.62 -0.35 0.50 1.49 -2.02 0.00 0.00 178.31 178.54 3g68 h GLU 243 N -0.35 1.16 -0.12 1.11 4.57 -1.94 -2.66 114.58 116.34 3g68 h GLU 243 Ca 0.09 -0.11 -0.11 0.00 -1.18 0.00 0.00 59.36 58.05 3g68 h GLU 243 Cb 0.49 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.83 3g68 h GLU 243 CO -0.31 0.82 -0.41 0.93 -1.18 0.00 0.00 179.01 178.87 3g68 h GLU 244 N 1.17 0.27 -0.71 1.92 4.39 -1.81 -2.40 114.58 117.41 3g68 h GLU 244 Ca 0.30 -0.13 0.03 0.00 0.34 0.00 0.00 59.36 59.90 3g68 h GLU 244 Cb -0.03 -0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 28.58 3g68 h GLU 244 CO -0.05 0.64 0.47 0.35 -1.16 0.00 0.00 179.01 179.25 3g68 h PHE 245 N 0.23 0.85 0.00 4.33 3.04 -0.73 -1.04 116.94 123.62 3g68 h PHE 245 Ca 0.02 0.02 -0.03 0.00 3.98 0.00 0.00 57.97 61.97 3g68 h PHE 245 Cb 0.82 -0.29 -0.00 0.00 2.56 0.00 0.00 35.95 39.04 3g68 h PHE 245 CO 0.02 0.51 -0.12 0.82 -2.02 0.00 0.00 178.31 177.51 3g68 h ILE 246 N 0.89 0.88 -0.16 1.41 2.04 -1.18 -2.56 117.51 118.82 3g68 h ILE 246 Ca 0.28 -0.46 -0.69 0.00 1.00 0.00 0.00 64.86 64.99 3g68 h ILE 246 Cb 0.01 1.26 -0.01 0.00 -0.74 0.00 0.00 36.82 37.35 3g68 h ILE 246 CO -0.07 0.12 3.46 1.41 0.00 0.00 0.00 178.15 183.07 3g68 n HIS 247 N -4.08 2.76 0.00 1.37 8.25 -0.39 -4.58 115.22 118.55 3g68 n HIS 247 Ca -0.02 -3.03 0.00 0.00 -0.26 0.00 0.00 57.72 54.41 3g68 n HIS 247 Cb 0.21 -2.43 0.00 0.00 1.12 0.00 0.00 29.99 28.89 3g68 n HIS 247 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3g68 n GLY 248 N 3.52 2.76 0.21 -1.41 0.00 -1.25 -4.95 105.19 104.06 3g68 n GLY 248 Ca 0.68 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.70 3g68 n GLY 248 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 3g68 h ILE 249 N 0.00 1.28 -0.42 -0.61 1.08 -1.70 -2.79 117.51 114.35 3g68 h ILE 249 Ca 0.00 -1.34 0.12 0.00 -0.39 0.00 0.00 64.86 63.26 3g68 h ILE 249 Cb 0.00 1.57 -0.02 0.00 -3.07 0.00 0.00 36.82 35.31 3g68 h ILE 249 CO 0.00 0.40 0.38 0.10 -0.69 0.00 0.00 178.15 178.34 3g68 h TYR 250 N 0.20 0.00 -0.56 1.37 -0.00 -1.87 -2.05 116.97 114.05 3g68 h TYR 250 Ca 0.02 0.00 0.13 0.00 -0.00 0.00 0.00 58.73 58.89 3g68 h TYR 250 Cb 0.70 0.00 -0.03 0.00 -0.00 0.00 0.00 36.73 37.40 3g68 h TYR 250 CO 0.01 0.00 0.39 -0.91 -0.00 0.00 0.00 178.16 177.65 3g68 h ASN 251 N 0.00 0.16 -0.24 0.10 -0.26 -1.86 -2.42 115.58 111.06 3g68 h ASN 251 Ca 0.20 0.01 0.00 0.00 -0.56 0.00 0.00 56.30 55.95 3g68 h ASN 251 Cb 0.95 -0.03 0.00 0.00 -1.06 0.00 0.00 38.32 38.19 3g68 h ASN 251 CO -0.00 0.09 0.00 0.00 -1.06 0.00 0.00 177.43 176.46 3g68 n ALA 252 N -2.59 2.49 -2.71 -0.83 0.00 -0.77 -4.93 120.51 111.17 3g68 n ALA 252 Ca 0.10 -0.66 -0.41 0.00 0.00 0.00 0.00 53.44 52.46 3g68 n ALA 252 Cb 0.51 -1.02 -0.03 0.00 0.00 0.00 0.00 19.45 18.91 3g68 n ALA 252 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 177.50 177.92 3g68 s ILE 253 N -1.70 4.91 0.17 0.00 -1.09 -0.91 -4.99 121.20 117.59 3g68 s ILE 253 Ca 0.34 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.69 3g68 s ILE 253 Cb 0.19 -4.25 -0.01 0.00 -1.58 0.00 0.00 42.46 36.81 3g68 s ILE 253 CO 0.27 0.17 0.15 -0.46 -1.23 0.00 0.00 174.94 173.84 3g68 n ASN 254 N 3.97 -0.37 0.26 3.58 0.23 -1.26 -5.02 115.26 116.65 3g68 n ASN 254 Ca 0.04 -2.13 0.18 0.00 -0.53 0.00 0.00 54.58 52.14 3g68 n ASN 254 Cb 0.51 0.87 0.85 0.00 -2.08 0.00 0.00 39.78 39.93 3g68 n ASN 254 CO 0.00 0.00 0.00 0.77 -0.93 0.00 0.00 177.26 177.10 3g68 h SER 255 N 1.06 0.00 -0.13 0.53 4.64 -1.94 -1.43 113.55 116.28 3g68 h SER 255 Ca -0.12 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.20 3g68 h SER 255 Cb 0.62 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.71 3g68 h SER 255 CO 0.18 0.00 0.00 0.47 -0.87 0.00 0.00 176.83 176.61 3g68 n ASP 256 N -2.81 2.05 -4.76 4.97 8.00 -1.26 -4.61 116.55 118.13 3g68 n ASP 256 Ca -0.01 -1.72 -0.40 0.00 0.71 0.00 0.00 54.79 53.37 3g68 n ASP 256 Cb 0.15 -0.08 -0.06 0.00 -0.02 0.00 0.00 41.12 41.11 3g68 n ASP 256 CO 0.00 0.00 0.00 -0.44 -0.39 0.00 0.00 177.20 176.37 3g68 s SER 257 N -1.75 7.52 -0.10 -2.24 0.01 -0.54 -4.20 113.70 112.40 3g68 s SER 257 Ca 0.34 1.80 -0.00 0.00 1.31 0.00 0.00 55.95 59.41 3g68 s SER 257 Cb 0.20 -2.56 -0.03 0.00 0.21 0.00 0.00 66.02 63.84 3g68 s SER 257 CO 0.30 0.18 -0.07 -0.89 0.41 0.00 0.00 173.24 173.17 3g68 s THR 258 N -1.15 3.62 -0.06 1.44 2.01 -0.41 -4.35 115.64 116.74 3g68 s THR 258 Ca 0.39 -0.49 0.01 0.00 0.31 0.00 0.00 61.69 61.91 3g68 s THR 258 Cb -0.25 -2.51 0.02 0.00 0.01 0.00 0.00 72.50 69.78 3g68 s THR 258 CO 0.29 0.56 -0.06 -0.63 -0.69 0.00 0.00 174.62 174.09 3g68 s ILE 259 N -0.35 0.73 -0.20 1.82 1.01 0.08 -1.26 121.20 123.03 3g68 s ILE 259 Ca 0.05 -0.21 -0.07 0.00 0.00 0.00 0.00 60.65 60.41 3g68 s ILE 259 Cb -0.12 -0.74 -0.04 0.00 0.01 0.00 0.00 42.46 41.57 3g68 s ILE 259 CO 0.02 0.28 0.07 -0.36 0.00 0.00 0.00 174.94 174.95 3g68 s PHE 260 N 1.02 3.20 -0.27 3.97 0.08 -0.32 -1.06 117.98 124.60 3g68 s PHE 260 Ca -0.09 -0.05 -0.06 0.00 0.12 0.00 0.00 56.93 56.85 3g68 s PHE 260 Cb -0.14 -2.13 -0.00 0.00 -0.57 0.00 0.00 43.02 40.18 3g68 s PHE 260 CO -0.00 0.01 0.04 0.42 -0.10 0.00 0.00 175.22 175.58 3g68 s ILE 261 N 0.75 3.80 -0.72 0.64 1.01 -0.24 -0.68 121.20 125.76 3g68 s ILE 261 Ca 0.04 -0.58 -0.19 0.00 0.00 0.00 0.00 60.65 59.92 3g68 s ILE 261 Cb -0.13 -2.87 0.12 0.00 0.01 0.00 0.00 42.46 39.58 3g68 s ILE 261 CO 0.02 0.21 0.87 -0.76 0.00 0.00 0.00 174.94 175.28 3g68 s LEU 262 N 1.50 5.31 -0.50 2.97 1.43 0.17 -0.58 118.68 128.99 3g68 s LEU 262 Ca 0.04 -1.68 -0.20 0.00 -1.03 0.00 0.00 54.13 51.25 3g68 s LEU 262 Cb -0.16 -2.33 0.05 0.00 0.03 0.00 0.00 46.19 43.77 3g68 s LEU 262 CO 0.01 -1.09 0.69 -0.62 0.23 0.00 0.00 176.35 175.57 3g68 s ASP 263 N 3.46 6.27 0.00 2.29 2.15 0.69 -3.89 116.67 127.64 3g68 s ASP 263 Ca 0.20 -0.65 0.27 0.00 0.43 0.00 0.00 52.55 52.80 3g68 s ASP 263 Cb -0.16 -2.32 0.93 0.00 -0.30 0.00 0.00 42.92 41.06 3g68 s ASP 263 CO 0.01 -0.92 1.67 0.35 -0.17 0.00 0.00 175.17 176.11 3g68 n THR 264 N 5.79 0.00 -0.78 1.71 -2.24 -1.26 -4.20 114.28 113.29 3g68 n THR 264 Ca -0.04 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.60 3g68 n THR 264 Cb 0.46 0.32 0.00 0.00 -2.10 0.00 0.00 70.33 69.01 3g68 n THR 264 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3g68 n GLY 265 N 1.29 0.80 0.47 3.38 0.00 -1.26 -4.92 105.19 104.94 3g68 n GLY 265 Ca 0.14 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.28 3g68 n GLY 265 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3g68 n LYS 266 N -2.25 1.24 -3.92 1.61 5.02 -1.26 -4.82 118.16 113.78 3g68 n LYS 266 Ca 0.00 -0.94 -0.34 0.00 -2.02 0.00 0.00 58.31 55.02 3g68 n LYS 266 Cb 0.00 -1.48 -0.14 0.00 -0.02 0.00 0.00 35.03 33.39 3g68 n LYS 266 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 3g68 s GLU 267 N -2.40 2.06 0.42 1.97 2.56 -1.26 -4.98 118.70 117.06 3g68 s GLU 267 Ca 0.23 -1.57 0.29 0.00 0.00 0.00 0.00 54.97 53.92 3g68 s GLU 267 Cb 0.19 -3.25 1.28 0.00 2.00 0.00 0.00 34.13 34.35 3g68 s GLU 267 CO 0.51 -0.81 1.88 -1.00 -0.56 0.00 0.00 175.26 175.28 3g68 h PRO 268 N 7.89 0.00 -0.03 4.30 0.13 -2.05 -2.61 132.00 139.62 3g68 h PRO 268 Ca -0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.98 3g68 h PRO 268 Cb 1.04 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.17 3g68 h PRO 268 CO 0.56 0.00 0.00 0.54 -0.23 0.00 0.00 178.00 178.87 3g68 n ARG 269 N -2.65 1.28 -0.19 0.86 1.74 -1.26 -4.26 116.66 112.18 3g68 n ARG 269 Ca 0.01 -0.42 -0.05 0.00 -0.77 0.00 0.00 57.85 56.62 3g68 n ARG 269 Cb 0.23 -1.42 0.04 0.00 -1.02 0.00 0.00 32.46 30.29 3g68 n ARG 269 CO 0.00 0.00 0.00 0.28 -1.52 0.00 0.00 177.63 176.39 3g68 h VAL 270 N 0.94 1.08 -0.50 1.55 2.07 -1.91 -2.62 116.25 116.86 3g68 h VAL 270 Ca 0.00 -0.24 0.04 0.00 0.82 0.00 0.00 66.70 67.32 3g68 h VAL 270 Cb 0.20 0.33 -0.04 0.00 -1.52 0.00 0.00 31.29 30.27 3g68 h VAL 270 CO 0.00 0.13 0.26 0.74 0.02 0.00 0.00 177.57 178.72 3g68 h THR 271 N 0.69 0.98 0.00 2.57 2.02 -1.84 0.19 112.91 117.51 3g68 h THR 271 Ca 0.22 -0.18 0.00 0.00 0.77 0.00 0.00 66.41 67.22 3g68 h THR 271 Cb -0.01 0.42 0.00 0.00 -1.74 0.00 0.00 68.15 66.82 3g68 h THR 271 CO -0.08 0.09 0.00 0.29 0.37 0.00 0.00 175.52 176.19 3g68 n LYS 272 N -4.87 0.04 0.00 6.66 5.02 -0.99 -1.58 118.16 122.44 3g68 n LYS 272 Ca 0.04 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.33 3g68 n LYS 272 Cb 0.12 -1.26 0.00 0.00 -0.02 0.00 0.00 35.03 33.87 3g68 n LYS 272 CO 0.00 0.00 0.00 -0.89 -0.52 0.00 0.00 177.40 175.99 3g68 n ILE 274 N 0.74 0.00 0.07 -0.18 5.41 0.05 -1.40 119.36 124.05 3g68 n ILE 274 Ca 0.00 0.00 -0.13 0.00 1.00 0.00 0.00 62.75 63.62 3g68 n ILE 274 Cb 0.01 0.00 -0.07 0.00 -0.71 0.00 0.00 39.64 38.87 3g68 n ILE 274 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 176.55 176.99 3g68 h ASP 275 N 0.00 -0.07 -0.49 4.38 3.32 -1.55 0.15 116.42 122.15 3g68 h ASP 275 Ca 0.00 -0.03 -0.03 0.00 0.02 0.00 0.00 57.03 56.99 3g68 h ASP 275 Cb 0.00 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 39.55 3g68 h ASP 275 CO 0.00 -0.02 0.18 0.58 -1.72 0.00 0.00 179.24 178.27 3g68 h VAL 276 N -0.12 1.22 -0.60 -1.35 2.07 -1.51 -2.01 116.25 113.95 3g68 h VAL 276 Ca -0.01 -0.69 -0.10 0.00 0.82 0.00 0.00 66.70 66.72 3g68 h VAL 276 Cb 0.10 0.75 -0.02 0.00 -1.52 0.00 0.00 31.29 30.60 3g68 h VAL 276 CO 0.01 0.26 -0.00 -0.07 0.02 0.00 0.00 177.57 177.79 3g68 h LEU 277 N 0.66 1.04 -2.13 2.57 3.38 -1.80 -2.58 115.31 116.45 3g68 h LEU 277 Ca 0.16 -0.29 -0.01 0.00 0.09 0.00 0.00 57.88 57.82 3g68 h LEU 277 Cb 0.22 -0.28 -0.00 0.00 0.09 0.00 0.00 40.66 40.69 3g68 h LEU 277 CO -0.01 1.09 -0.07 0.28 0.09 0.00 0.00 178.44 179.82 3g68 h SER 278 N 0.96 0.00 0.70 -0.43 0.02 -0.50 0.81 113.55 115.11 3g68 h SER 278 Ca 0.17 0.00 -0.04 0.00 -0.84 0.00 0.00 61.79 61.08 3g68 h SER 278 Cb 0.56 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 63.09 3g68 h SER 278 CO 0.03 0.07 -0.20 1.23 -1.14 0.00 0.00 176.83 176.82 3g68 h GLY 279 N 0.73 0.00 0.00 -3.77 0.00 -0.95 -3.31 103.07 95.77 3g68 h GLY 279 Ca -0.00 0.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.99 3g68 h GLY 279 CO 0.01 0.00 -2.29 0.79 0.00 0.00 0.00 176.54 175.05 3g68 n TRP 280 N -3.50 0.00 -3.92 5.60 8.01 0.11 -5.01 117.44 118.74 3g68 n TRP 280 Ca -0.01 0.00 -0.10 0.00 -1.31 0.00 0.00 57.50 56.08 3g68 n TRP 280 Cb 0.36 -0.93 -0.11 0.00 -2.01 0.00 0.00 31.31 28.63 3g68 n TRP 280 CO 0.00 0.00 0.00 -0.08 -1.01 0.00 0.00 177.69 176.60 3g68 s THR 281 N -2.46 0.09 -1.64 -0.99 -1.32 -0.25 -3.04 115.64 106.04 3g68 s THR 281 Ca -0.10 -0.73 0.28 0.00 -1.21 0.00 0.00 61.69 59.93 3g68 s THR 281 Cb 0.06 -0.33 0.40 0.00 -1.51 0.00 0.00 72.50 71.11 3g68 s THR 281 CO 0.77 -0.40 1.78 -0.62 -2.21 0.00 0.00 174.62 173.94 3g68 n GLU 282 N 1.64 0.68 -2.22 7.08 1.02 -1.26 -4.17 120.64 123.40 3g68 n GLU 282 Ca -0.22 -0.28 -0.39 0.00 -0.02 0.00 0.00 57.16 56.25 3g68 n GLU 282 Cb 0.56 -1.49 0.03 0.00 -0.02 0.00 0.00 31.44 30.51 3g68 n GLU 282 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 3g68 n ASN 283 N -0.92 7.16 -4.45 1.62 3.02 -1.26 -4.94 115.26 115.49 3g68 n ASN 283 Ca 0.13 -3.78 -0.35 0.00 -0.03 0.00 0.00 54.58 50.56 3g68 n ASN 283 Cb 0.30 -1.04 -0.13 0.00 -0.61 0.00 0.00 39.78 38.31 3g68 n ASN 283 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 3g68 s VAL 284 N -4.86 3.97 -0.14 2.41 1.01 -1.26 -0.74 120.40 120.79 3g68 s VAL 284 Ca 0.48 -0.31 0.01 0.00 0.00 0.00 0.00 61.98 62.16 3g68 s VAL 284 Cb 0.35 -2.80 0.02 0.00 0.00 0.00 0.00 36.38 33.95 3g68 s VAL 284 CO -0.30 0.42 -0.16 -0.36 0.00 0.00 0.00 175.10 174.70 3g68 s PHE 285 N 1.02 2.20 -0.10 5.22 0.08 -0.22 -4.85 117.98 121.32 3g68 s PHE 285 Ca 0.02 -1.16 -0.02 0.00 0.12 0.00 0.00 56.93 55.89 3g68 s PHE 285 Cb -0.14 -1.58 -0.03 0.00 -0.57 0.00 0.00 43.02 40.69 3g68 s PHE 285 CO 0.02 -0.61 -0.01 0.00 -0.10 0.00 0.00 175.22 174.52 3g68 s ALA 286 N 1.23 3.20 -0.08 5.36 0.00 -1.26 -1.08 121.76 129.14 3g68 s ALA 286 Ca -0.00 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.16 3g68 s ALA 286 Cb -0.14 -1.47 0.01 0.00 0.00 0.00 0.00 23.12 21.52 3g68 s ALA 286 CO -0.07 0.51 -0.13 0.42 0.00 0.00 0.00 175.76 176.49 3g68 s ILE 287 N -0.63 1.27 -3.28 0.00 1.01 0.25 -1.15 121.20 118.66 3g68 s ILE 287 Ca 0.10 -0.53 0.00 0.00 0.00 0.00 0.00 60.65 60.22 3g68 s ILE 287 Cb -0.12 -1.16 0.00 0.00 0.01 0.00 0.00 42.46 41.19 3g68 s ILE 287 CO 0.02 0.39 0.00 0.61 0.00 0.00 0.00 174.94 175.96 3g68 n GLY 288 N 3.99 -2.22 0.14 6.18 0.00 -0.81 -0.22 105.19 112.24 3g68 n GLY 288 Ca -0.21 -1.21 -0.02 0.00 0.00 0.00 0.00 46.02 44.59 3g68 n GLY 288 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 3g68 h ARG 289 N 0.00 0.03 0.00 1.61 3.08 -1.72 -1.72 114.38 115.67 3g68 h ARG 289 Ca 0.00 -0.02 -0.05 0.00 0.07 0.00 0.00 59.98 59.98 3g68 h ARG 289 Cb 0.00 0.00 -0.10 0.00 0.08 0.00 0.00 29.97 29.95 3g68 h ARG 289 CO 0.00 0.63 -0.52 -0.25 -1.07 0.00 0.00 179.97 178.76 3g68 n ASP 290 N -3.82 1.29 -4.74 7.04 8.00 -1.26 -4.65 116.55 118.40 3g68 n ASP 290 Ca -0.01 -2.78 -0.33 0.00 0.71 0.00 0.00 54.79 52.38 3g68 n ASP 290 Cb 0.61 -0.37 0.08 0.00 -0.02 0.00 0.00 41.12 41.42 3g68 n ASP 290 CO 0.00 0.00 0.00 0.68 -0.39 0.00 0.00 177.20 177.49 3g68 s VAL 291 N -1.57 2.86 0.11 2.53 -7.23 -1.26 -4.94 120.40 110.92 3g68 s VAL 291 Ca 0.27 0.37 -0.31 0.00 -1.81 0.00 0.00 61.98 60.49 3g68 s VAL 291 Cb 0.27 -2.83 -0.08 0.00 0.56 0.00 0.00 36.38 34.30 3g68 s VAL 291 CO -0.06 -0.28 1.42 -0.89 -0.31 0.00 0.00 175.10 174.98 3g68 s THR 292 N -2.40 3.23 -0.30 5.32 2.01 -1.26 -4.91 115.64 117.33 3g68 s THR 292 Ca 0.68 0.87 -0.29 0.00 0.31 0.00 0.00 61.69 63.25 3g68 s THR 292 Cb -0.22 -3.56 0.02 0.00 0.01 0.00 0.00 72.50 68.75 3g68 s THR 292 CO 0.47 0.06 1.07 -1.61 -0.69 0.00 0.00 174.62 173.93 3g68 s GLU 293 N 1.25 4.10 0.34 4.92 2.02 -1.26 -4.67 118.70 125.39 3g68 s GLU 293 Ca 0.66 1.12 -0.17 0.00 0.02 0.00 0.00 54.97 56.60 3g68 s GLU 293 Cb -0.37 -3.72 0.04 0.00 0.10 0.00 0.00 34.13 30.17 3g68 s GLU 293 CO 0.30 -0.86 0.74 0.54 0.02 0.00 0.00 175.26 176.01 3g68 s ASN 294 N 1.58 -0.06 0.23 -0.19 2.20 -1.26 -5.04 114.94 112.39 3g68 s ASN 294 Ca 0.45 -0.95 -0.07 0.00 -0.94 0.00 0.00 52.86 51.35 3g68 s ASN 294 Cb -0.13 0.79 0.28 0.00 -2.00 0.00 0.00 41.25 40.19 3g68 s ASN 294 CO 0.14 -1.53 1.86 0.44 -2.94 0.00 0.00 177.10 175.07 3g68 h ASP 295 N 2.01 0.83 1.20 3.54 3.32 -2.00 -2.49 116.42 122.84 3g68 h ASP 295 Ca -0.27 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.79 3g68 h ASP 295 Cb 1.25 -0.17 0.00 0.00 0.22 0.00 0.00 39.33 40.63 3g68 h ASP 295 CO 0.34 0.56 0.00 0.11 -1.72 0.00 0.00 179.24 178.52 3g68 h LYS 296 N 0.98 0.00 -5.98 3.56 1.57 -1.95 -3.45 116.57 111.30 3g68 h LYS 296 Ca 0.34 0.00 -0.60 0.00 -1.87 0.00 0.00 60.65 58.52 3g68 h LYS 296 Cb 0.08 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.35 3g68 h LYS 296 CO -0.14 0.00 -0.46 -0.80 -0.57 0.00 0.00 179.45 177.48 3g68 s ASN 297 N -5.30 6.39 -0.26 0.86 0.01 -0.94 -3.99 114.94 111.70 3g68 s ASN 297 Ca 0.04 0.33 0.02 0.00 -0.71 0.00 0.00 52.86 52.55 3g68 s ASN 297 Cb 0.09 -1.98 0.06 0.00 0.41 0.00 0.00 41.25 39.82 3g68 s ASN 297 CO 0.54 0.13 -0.10 -0.22 -1.51 0.00 0.00 177.10 175.94 3g68 s LEU 298 N -2.61 3.49 -0.38 0.60 2.96 -0.30 -4.60 118.68 117.83 3g68 s LEU 298 Ca 0.36 -1.37 -0.16 0.00 -0.22 0.00 0.00 54.13 52.74 3g68 s LEU 298 Cb -0.13 -1.57 0.01 0.00 0.50 0.00 0.00 46.19 45.00 3g68 s LEU 298 CO 0.27 -0.20 0.37 -0.75 -1.32 0.00 0.00 176.35 174.73 3g68 s LYS 299 N 1.12 3.28 -0.05 1.98 2.20 -1.26 -1.93 119.74 125.08 3g68 s LYS 299 Ca -0.08 -0.66 0.04 0.00 -0.36 0.00 0.00 55.97 54.90 3g68 s LYS 299 Cb -0.20 -3.90 -0.00 0.00 -1.51 0.00 0.00 37.83 32.23 3g68 s LYS 299 CO -0.05 -0.68 -0.17 0.96 -0.36 0.00 0.00 175.35 175.05 3g68 s ILE 300 N 1.99 1.43 -1.33 5.43 -4.36 -0.64 -4.99 121.20 118.73 3g68 s ILE 300 Ca 0.10 -0.70 -0.17 0.00 -0.26 0.00 0.00 60.65 59.62 3g68 s ILE 300 Cb -0.17 -1.24 0.04 0.00 1.25 0.00 0.00 42.46 42.34 3g68 s ILE 300 CO 0.12 0.41 1.92 -0.67 0.24 0.00 0.00 174.94 176.97 3g68 n ASP 301 N 3.27 4.39 -4.78 4.36 2.03 -1.26 -3.32 116.55 121.24 3g68 n ASP 301 Ca -0.19 -2.87 -0.37 0.00 0.52 0.00 0.00 54.79 51.88 3g68 n ASP 301 Cb 0.53 -1.70 -0.05 0.00 -0.72 0.00 0.00 41.12 39.18 3g68 n ASP 301 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 3g68 s ILE 302 N 4.32 3.93 0.36 5.18 1.01 -1.26 -4.98 121.20 129.76 3g68 s ILE 302 Ca 0.53 1.54 -0.27 0.00 0.00 0.00 0.00 60.65 62.45 3g68 s ILE 302 Cb 0.07 -3.82 -0.12 0.00 0.01 0.00 0.00 42.46 38.60 3g68 s ILE 302 CO 0.03 0.06 1.14 1.07 0.00 0.00 0.00 174.94 177.24 3g68 n THR 303 N 0.22 2.18 1.45 2.92 5.66 -1.26 -4.88 114.28 120.58 3g68 n THR 303 Ca 0.04 -0.50 0.15 0.00 -3.05 0.00 0.00 64.05 60.68 3g68 n THR 303 Cb 0.50 -1.30 0.74 0.00 -1.55 0.00 0.00 70.33 68.71 3g68 n THR 303 CO 0.00 0.00 0.00 -0.90 -3.05 0.00 0.00 175.07 171.12 3g68 n ASP 304 N 0.75 0.09 -4.70 1.09 5.75 -1.26 -4.46 116.55 113.81 3g68 n ASP 304 Ca 0.07 -0.28 -0.42 0.00 -0.01 0.00 0.00 54.79 54.16 3g68 n ASP 304 Cb 0.36 -0.22 -0.03 0.00 -1.03 0.00 0.00 41.12 40.20 3g68 n ASP 304 CO 0.00 0.00 0.00 0.21 -0.11 0.00 0.00 177.20 177.30 3g68 s ASN 305 N -2.52 6.50 0.16 -1.12 3.84 -1.26 -4.88 114.94 115.66 3g68 s ASN 305 Ca 0.30 2.67 0.20 0.00 0.21 0.00 0.00 52.86 56.24 3g68 s ASN 305 Cb 0.20 -2.58 0.84 0.00 -0.55 0.00 0.00 41.25 39.17 3g68 s ASN 305 CO 0.46 -0.92 1.62 -0.81 -2.79 0.00 0.00 177.10 174.65 3g68 n PRO 306 N 4.90 0.12 -0.13 0.43 -0.04 -1.26 -1.82 135.00 137.20 3g68 n PRO 306 Ca 0.16 0.36 -0.27 0.00 -0.04 0.00 0.00 63.50 63.71 3g68 n PRO 306 Cb 0.38 -1.73 -0.10 0.00 -0.04 0.00 0.00 33.50 32.01 3g68 n PRO 306 CO 0.00 0.00 0.00 0.66 -0.04 0.00 0.00 175.50 176.12 3g68 n TYR 307 N -1.96 0.30 0.76 0.54 4.01 -1.26 -4.58 117.16 114.97 3g68 n TYR 307 Ca 0.03 0.13 0.13 0.00 -0.16 0.00 0.00 57.90 58.02 3g68 n TYR 307 Cb 0.21 -1.01 0.50 0.00 -0.31 0.00 0.00 39.34 38.72 3g68 n TYR 307 CO 0.00 0.00 0.00 0.66 -0.46 0.00 0.00 176.86 177.06 3g68 n TYR 308 N -4.31 0.42 0.27 -0.72 4.01 -1.21 -2.53 117.16 113.09 3g68 n TYR 308 Ca -0.47 0.13 0.18 0.00 -0.16 0.00 0.00 57.90 57.58 3g68 n TYR 308 Cb 0.81 -0.71 0.86 0.00 -0.31 0.00 0.00 39.34 39.99 3g68 n TYR 308 CO 0.00 0.00 0.00 -0.56 -0.46 0.00 0.00 176.86 175.84 3g68 h GLN 309 N 0.00 0.00 -0.06 -0.72 3.07 -1.58 -1.76 115.11 114.06 3g68 h GLN 309 Ca 0.00 0.00 0.02 0.00 0.09 0.00 0.00 58.65 58.76 3g68 h GLN 309 Cb 0.55 0.00 -0.00 0.00 0.08 0.00 0.00 27.48 28.11 3g68 h GLN 309 CO 0.00 0.00 0.17 0.00 0.09 0.00 0.00 178.83 179.09 3g68 h THR 310 N 0.00 0.16 -0.03 1.86 1.03 -1.79 -1.34 112.91 112.80 3g68 h THR 310 Ca 0.05 0.00 0.00 0.00 -0.01 0.00 0.00 66.41 66.45 3g68 h THR 310 Cb 0.63 0.84 0.00 0.00 -1.07 0.00 0.00 68.15 68.55 3g68 h THR 310 CO -0.00 0.00 0.00 0.49 -0.01 0.00 0.00 175.52 176.00 3g68 n PHE 311 N -3.26 0.03 0.00 0.00 3.72 -0.66 -4.32 117.46 112.97 3g68 n PHE 311 Ca -0.01 -0.02 0.00 0.00 -0.05 0.00 0.00 57.45 57.37 3g68 n PHE 311 Cb 0.26 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 38.80 3g68 n PHE 311 CO 0.00 0.00 0.00 0.09 -0.05 0.00 0.00 176.76 176.80 3g68 n ASN 312 N -0.12 2.36 -0.13 4.37 5.03 -0.58 -4.83 115.26 121.36 3g68 n ASN 312 Ca 0.19 0.00 -0.09 0.00 0.87 0.00 0.00 54.58 55.55 3g68 n ASN 312 Cb 0.28 0.25 -0.01 0.00 -1.02 0.00 0.00 39.78 39.28 3g68 n ASN 312 CO 0.00 0.00 0.00 0.15 -1.83 0.00 0.00 177.26 175.58 3g68 h PHE 313 N 0.00 0.57 -0.18 3.10 3.04 -1.55 -3.05 116.94 118.87 3g68 h PHE 313 Ca 0.00 -0.04 0.00 0.00 3.98 0.00 0.00 57.97 61.91 3g68 h PHE 313 Cb 0.43 -0.17 0.00 0.00 2.56 0.00 0.00 35.95 38.77 3g68 h PHE 313 CO 0.00 0.51 0.00 0.44 -2.02 0.00 0.00 178.31 177.24 3g68 n ILE 314 N -4.67 0.22 -0.24 1.41 -5.35 -1.26 -4.29 119.36 105.18 3g68 n ILE 314 Ca -0.01 -0.45 0.01 0.00 -0.27 0.00 0.00 62.75 62.03 3g68 n ILE 314 Cb 0.14 0.68 0.08 0.00 -1.74 0.00 0.00 39.64 38.80 3g68 n ILE 314 CO 0.00 0.00 0.00 0.58 -1.76 0.00 0.00 176.55 175.37 3g68 h VAL 315 N 3.11 0.28 -0.97 7.28 2.07 -1.90 -0.51 116.25 125.62 3g68 h VAL 315 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 3g68 h VAL 315 Cb 0.68 0.28 -0.08 0.00 -1.52 0.00 0.00 31.29 30.65 3g68 h VAL 315 CO 0.00 0.00 0.61 1.55 0.02 0.00 0.00 177.57 179.75 3g68 h PRO 316 N -0.01 0.88 -0.22 1.57 0.13 -1.81 -0.13 132.00 132.42 3g68 h PRO 316 Ca 0.34 -0.05 -0.13 0.00 -0.87 0.00 0.00 66.00 65.29 3g68 h PRO 316 Cb 0.52 -0.20 -0.00 0.00 0.13 0.00 0.00 31.00 31.45 3g68 h PRO 316 CO -0.73 0.59 -0.37 0.82 -0.23 0.00 0.00 178.00 178.07 3g68 h ILE 317 N 0.91 1.32 -0.44 -3.56 1.08 -1.55 -2.03 117.51 113.25 3g68 h ILE 317 Ca 0.48 -1.59 -0.03 0.00 -0.39 0.00 0.00 64.86 63.33 3g68 h ILE 317 Cb 0.54 1.81 -0.02 0.00 -3.07 0.00 0.00 36.82 36.07 3g68 h ILE 317 CO -0.24 0.49 0.15 1.56 -0.69 0.00 0.00 178.15 179.42 3g68 h GLN 318 N 0.33 0.63 -0.22 2.37 4.20 -0.85 -1.77 115.11 119.79 3g68 h GLN 318 Ca 0.01 -0.09 -0.12 0.00 0.06 0.00 0.00 58.65 58.51 3g68 h GLN 318 Cb 0.96 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 28.62 3g68 h GLN 318 CO 0.08 0.54 -0.36 1.25 -0.67 0.00 0.00 178.83 179.67 3g68 h LEU 319 N 0.62 0.51 -0.48 1.46 5.85 -0.87 -2.21 115.31 120.19 3g68 h LEU 319 Ca 0.15 -0.21 0.06 0.00 0.84 0.00 0.00 57.88 58.72 3g68 h LEU 319 Cb 0.16 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.00 3g68 h LEU 319 CO -0.01 0.83 0.18 0.40 -0.34 0.00 0.00 178.44 179.50 3g68 h ILE 320 N 0.41 0.86 -0.79 4.05 2.04 -0.69 -0.58 117.51 122.81 3g68 h ILE 320 Ca 0.04 -0.12 0.08 0.00 1.00 0.00 0.00 64.86 65.86 3g68 h ILE 320 Cb 0.83 0.47 -0.05 0.00 -0.74 0.00 0.00 36.82 37.32 3g68 h ILE 320 CO 0.07 0.07 0.52 0.00 0.00 0.00 0.00 178.15 178.80 3g68 h GLY 322 N 0.80 0.56 0.09 0.00 0.00 -0.82 -3.40 103.07 100.30 3g68 h GLY 322 Ca 0.35 -1.00 -0.34 0.00 0.00 0.00 0.00 47.33 46.34 3g68 h GLY 322 CO -0.13 0.89 -1.89 1.18 0.00 0.00 0.00 176.54 176.59 3g68 n GLU 323 N -3.77 0.61 -0.07 4.80 1.02 -0.28 -4.66 120.64 118.29 3g68 n GLU 323 Ca -0.08 0.39 -0.16 0.00 -0.02 0.00 0.00 57.16 57.29 3g68 n GLU 323 Cb 0.86 -1.64 -0.05 0.00 -0.02 0.00 0.00 31.44 30.59 3g68 n GLU 323 CO 0.00 0.00 0.00 0.82 1.18 0.00 0.00 177.13 179.13 3g68 h ILE 324 N -0.74 1.27 -0.58 -3.67 1.08 -1.29 -3.18 117.51 110.40 3g68 h ILE 324 Ca -0.49 -1.78 0.15 0.00 -0.39 0.00 0.00 64.86 62.34 3g68 h ILE 324 Cb 1.57 1.71 -0.03 0.00 -3.07 0.00 0.00 36.82 37.00 3g68 h ILE 324 CO -0.22 0.58 0.41 -0.65 -0.69 0.00 0.00 178.15 177.57 3g68 h PRO 325 N 0.64 0.11 0.00 2.37 0.11 -1.78 0.86 132.00 134.32 3g68 h PRO 325 Ca -0.00 -0.01 -0.03 0.00 0.11 0.00 0.00 66.00 66.08 3g68 h PRO 325 Cb 1.21 -0.02 -0.00 0.00 0.11 0.00 0.00 31.00 32.30 3g68 h PRO 325 CO 0.13 0.07 -0.12 1.79 -0.21 0.00 0.00 178.00 179.66 3g68 h THR 326 N 0.11 0.43 -0.01 -1.15 1.35 -1.47 0.18 112.91 112.36 3g68 h THR 326 Ca 0.28 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.50 3g68 h THR 326 Cb 0.94 1.45 0.00 0.00 -1.73 0.00 0.00 68.15 68.81 3g68 h THR 326 CO -0.03 0.12 -0.14 0.18 -0.25 0.00 0.00 175.52 175.39 3g68 n LEU 327 N -3.45 1.00 -0.86 3.87 4.77 0.28 -3.87 117.00 118.74 3g68 n LEU 327 Ca -0.01 -0.26 0.01 0.00 -0.03 0.00 0.00 56.01 55.72 3g68 n LEU 327 Cb 0.28 -0.10 0.20 0.00 -2.33 0.00 0.00 43.42 41.48 3g68 n LEU 327 CO 0.30 0.18 0.47 0.54 -1.33 0.00 0.00 177.39 177.55 3g68 n ARG 328 N -0.50 1.75 -2.29 3.23 1.74 -0.11 -4.99 116.66 115.49 3g68 n ARG 328 Ca 0.15 -3.31 -0.17 0.00 -0.77 0.00 0.00 57.85 53.76 3g68 n ARG 328 Cb 0.33 -1.72 -0.01 0.00 -1.02 0.00 0.00 32.46 30.04 3g68 n ARG 328 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3g68 n GLY 329 N -1.11 -0.26 3.03 -0.13 0.00 -1.07 -5.01 105.19 100.64 3g68 n GLY 329 Ca 0.25 -0.18 -0.20 0.00 0.00 0.00 0.00 46.02 45.89 3g68 n GLY 329 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3g68 s VAL 330 N -2.83 0.81 -0.51 1.61 1.01 -0.27 -5.03 120.40 115.19 3g68 s VAL 330 Ca 0.00 -0.41 -0.20 0.00 0.00 0.00 0.00 61.98 61.37 3g68 s VAL 330 Cb 0.00 -0.69 0.05 0.00 0.00 0.00 0.00 36.38 35.74 3g68 s VAL 330 CO 0.00 0.24 0.67 -0.62 0.00 0.00 0.00 175.10 175.39 3g68 s ASP 331 N -0.06 6.25 0.20 3.32 -1.08 -1.26 -2.60 116.67 121.43 3g68 s ASP 331 Ca 0.01 -0.80 0.18 0.00 -0.52 0.00 0.00 52.55 51.42 3g68 s ASP 331 Cb -0.06 -2.31 0.84 0.00 -1.46 0.00 0.00 42.92 39.93 3g68 s ASP 331 CO -0.00 -0.94 1.55 -0.81 0.52 0.00 0.00 175.17 175.49 3g68 n PRO 332 N 6.37 0.12 0.00 4.34 -0.04 -1.26 -1.90 135.00 142.63 3g68 n PRO 332 Ca -0.05 0.48 0.13 0.00 -0.04 0.00 0.00 63.50 64.02 3g68 n PRO 332 Cb 0.46 -1.79 0.43 0.00 -0.04 0.00 0.00 33.50 32.56 3g68 n PRO 332 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 3g68 n SER 333 N -2.02 0.76 -4.28 3.54 7.64 -1.26 -4.31 113.62 113.69 3g68 n SER 333 Ca 0.01 -0.66 -0.33 0.00 1.01 0.00 0.00 58.87 58.89 3g68 n SER 333 Cb 0.12 0.07 -0.15 0.00 -1.01 0.00 0.00 64.21 63.25 3g68 n SER 333 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 3g68 s VAL 334 N -2.59 2.79 0.75 0.44 1.01 -0.80 -1.93 120.40 120.08 3g68 s VAL 334 Ca 0.23 -0.73 -0.11 0.00 0.00 0.00 0.00 61.98 61.38 3g68 s VAL 334 Cb 0.19 -2.19 0.04 0.00 0.00 0.00 0.00 36.38 34.43 3g68 s VAL 334 CO 0.54 0.51 1.09 -2.84 0.00 0.00 0.00 175.10 174.39 3g68 s PRO 335 N 0.84 2.41 0.29 2.72 0.02 -1.26 -4.79 135.00 135.23 3g68 s PRO 335 Ca -0.04 1.14 0.04 0.00 0.02 0.00 0.00 61.00 62.15 3g68 s PRO 335 Cb -0.15 -1.92 0.73 0.00 0.02 0.00 0.00 34.50 33.19 3g68 s PRO 335 CO -0.00 -1.52 1.68 -0.22 -0.33 0.00 0.00 177.00 176.61 3g68 h LYS 336 N -1.00 0.34 -3.04 5.54 3.64 -1.95 -3.37 116.57 116.73 3g68 h LYS 336 Ca -0.44 -0.02 -0.45 0.00 -1.27 0.00 0.00 60.65 58.47 3g68 h LYS 336 Cb 1.23 -0.08 -0.41 0.00 -0.41 0.00 0.00 32.23 32.56 3g68 h LYS 336 CO 0.52 0.23 -0.75 0.34 -2.27 0.00 0.00 179.45 177.52 3g68 s ASP 337 N -5.15 2.26 0.48 4.20 -1.08 -1.26 -5.01 116.67 111.12 3g68 s ASP 337 Ca -0.12 -0.57 0.26 0.00 -0.52 0.00 0.00 52.55 51.61 3g68 s ASP 337 Cb 0.25 -0.22 1.18 0.00 -1.46 0.00 0.00 42.92 42.68 3g68 s ASP 337 CO 0.78 -0.35 1.94 0.71 0.52 0.00 0.00 175.17 178.77 3g68 h THR 338 N 6.42 0.51 -0.44 1.71 1.35 -1.99 -2.98 112.91 117.49 3g68 h THR 338 Ca -0.15 -0.85 0.00 0.00 -0.55 0.00 0.00 66.41 64.87 3g68 h THR 338 Cb 1.15 1.58 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 3g68 h THR 338 CO 0.28 0.17 0.00 0.54 -0.25 0.00 0.00 175.52 176.26 3g68 n ARG 339 N -3.45 2.28 -0.03 4.72 3.00 -1.26 -4.59 116.66 117.33 3g68 n ARG 339 Ca -0.01 -1.97 -0.09 0.00 -0.01 0.00 0.00 57.85 55.77 3g68 n ARG 339 Cb 0.34 -1.46 -0.03 0.00 0.00 0.00 0.00 32.46 31.31 3g68 n ARG 339 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.63 177.98 3g68 h PHE 340 N 3.54 0.02 0.00 -1.55 3.57 -1.95 0.78 116.94 121.34 3g68 h PHE 340 Ca 0.00 0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.51 3g68 h PHE 340 Cb 0.79 0.02 0.00 0.00 2.79 0.00 0.00 35.95 39.55 3g68 h PHE 340 CO 0.29 -0.01 0.00 0.72 -2.23 0.00 0.00 178.31 177.08 3g68 n HIS 341 N -5.11 0.00 0.00 0.41 8.25 -1.26 -1.83 115.22 115.67 3g68 n HIS 341 Ca -0.03 -0.07 0.00 0.00 -0.26 0.00 0.00 57.72 57.36 3g68 n HIS 341 Cb 0.09 -0.10 0.00 0.00 1.12 0.00 0.00 29.99 31.10 3g68 n HIS 341 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 3g68 n LYS 343 N 0.80 0.00 0.00 -0.41 5.02 0.26 -5.26 118.16 118.57 3g68 n LYS 343 Ca 0.00 0.00 0.14 0.00 -2.02 0.00 0.00 58.31 56.43 3g68 n LYS 343 Cb 0.08 0.00 0.85 0.00 -0.02 0.00 0.00 35.03 35.94 3g68 n LYS 343 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16