#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3g3z h GLN 3 N 0.00 0.97 -0.96 1.20 1.08 -2.05 -0.98 115.11 114.37 3g3z h GLN 3 Ca 0.00 -0.26 0.07 0.00 -1.45 0.00 0.00 58.65 57.01 3g3z h GLN 3 Cb 0.00 -0.11 -0.07 0.00 -0.05 0.00 0.00 27.48 27.25 3g3z h GLN 3 CO 0.00 0.91 0.61 1.25 -0.95 0.00 0.00 178.83 180.65 3g3z h LEU 4 N 0.87 0.97 -0.26 1.46 6.46 -2.05 0.96 115.31 123.73 3g3z h LEU 4 Ca 0.18 0.01 -0.05 0.00 -0.12 0.00 0.00 57.88 57.90 3g3z h LEU 4 Cb 0.41 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 40.14 3g3z h LEU 4 CO 0.01 0.61 -0.04 -0.78 -0.62 0.00 0.00 178.44 177.62 3g3z h ASP 5 N 1.10 0.48 -0.53 1.25 3.58 -1.84 0.74 116.42 121.20 3g3z h ASP 5 Ca 0.42 -0.35 0.00 0.00 0.42 0.00 0.00 57.03 57.52 3g3z h ASP 5 Cb 0.19 -0.13 -0.03 0.00 1.72 0.00 0.00 39.33 41.08 3g3z h ASP 5 CO -0.18 0.72 0.35 1.56 -2.88 0.00 0.00 179.24 178.80 3g3z h GLN 6 N 0.23 0.70 0.00 0.28 4.20 -0.79 -2.02 115.11 117.71 3g3z h GLN 6 Ca 0.07 -0.04 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3g3z h GLN 6 Cb 0.49 -0.16 0.00 0.00 0.30 0.00 0.00 27.48 28.12 3g3z h GLN 6 CO 0.02 0.46 -0.00 1.25 -0.67 0.00 0.00 178.83 179.90 3g3z h LEU 7 N 0.72 -0.00 -0.36 1.46 5.85 -0.63 -3.21 115.31 119.14 3g3z h LEU 7 Ca 0.19 -0.83 0.05 0.00 0.84 0.00 0.00 57.88 58.14 3g3z h LEU 7 Cb -0.08 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3g3z h LEU 7 CO -0.04 0.83 0.07 1.23 -0.34 0.00 0.00 178.44 180.18 3g3z h GLY 8 N -0.84 0.41 0.97 3.75 0.00 -0.68 0.04 103.07 106.72 3g3z h GLY 8 Ca -0.00 -0.02 -0.00 0.00 0.00 0.00 0.00 47.33 47.31 3g3z h GLY 8 CO 0.00 -0.03 0.14 -0.91 0.00 0.00 0.00 176.54 175.73 3g3z h THR 9 N 0.19 1.09 0.39 4.70 1.35 -1.53 -2.33 112.91 116.76 3g3z h THR 9 Ca 0.17 -0.21 -0.00 0.00 -0.55 0.00 0.00 66.41 65.82 3g3z h THR 9 Cb 0.20 0.82 -0.02 0.00 -1.73 0.00 0.00 68.15 67.42 3g3z h THR 9 CO -0.23 0.08 -0.39 0.03 -0.25 0.00 0.00 175.52 174.77 3g3z h ARG 10 N 0.28 -0.76 -0.54 4.72 3.08 -1.43 -0.60 114.38 119.12 3g3z h ARG 10 Ca 0.08 0.05 -0.02 0.00 0.07 0.00 0.00 59.98 60.16 3g3z h ARG 10 Cb 0.02 0.17 -0.03 0.00 0.08 0.00 0.00 29.97 30.22 3g3z h ARG 10 CO -0.02 -0.51 0.26 -0.84 -1.07 0.00 0.00 179.97 177.80 3g3z h ILE 11 N -0.79 1.18 -0.57 2.04 3.07 -1.02 -0.30 117.51 121.12 3g3z h ILE 11 Ca -0.03 -0.50 -0.10 0.00 1.55 0.00 0.00 64.86 65.78 3g3z h ILE 11 Cb 0.71 0.49 -0.02 0.00 -0.27 0.00 0.00 36.82 37.73 3g3z h ILE 11 CO -0.06 0.21 -0.04 0.78 -1.05 0.00 0.00 178.15 177.98 3g3z h ASN 12 N 0.75 1.02 0.24 2.16 2.35 -1.30 0.33 115.58 121.15 3g3z h ASN 12 Ca 0.19 -0.32 0.00 0.00 -0.55 0.00 0.00 56.30 55.61 3g3z h ASN 12 Cb 0.08 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.16 3g3z h ASN 12 CO -0.03 1.10 -0.22 0.25 -1.65 0.00 0.00 177.43 176.89 3g3z h LEU 13 N 0.92 -0.57 -0.78 1.61 5.85 -0.66 -2.33 115.31 119.35 3g3z h LEU 13 Ca 0.16 0.05 -0.09 0.00 0.84 0.00 0.00 57.88 58.84 3g3z h LEU 13 Cb 0.60 0.19 -0.02 0.00 0.37 0.00 0.00 40.66 41.80 3g3z h LEU 13 CO 0.04 -0.32 -0.02 -0.29 -0.34 0.00 0.00 178.44 177.50 3g3z h ILE 14 N -0.48 1.26 -0.90 4.05 2.10 -0.92 -1.29 117.51 121.33 3g3z h ILE 14 Ca -0.01 -1.10 -0.00 0.00 1.08 0.00 0.00 64.86 64.83 3g3z h ILE 14 Cb 0.44 0.88 -0.04 0.00 -1.09 0.00 0.00 36.82 37.00 3g3z h ILE 14 CO -0.03 0.39 0.55 0.00 -1.08 0.00 0.00 178.15 177.97 3g3z h ASN 16 N 1.23 1.07 -0.26 0.00 4.21 -0.99 -0.09 115.58 120.76 3g3z h ASN 16 Ca 0.32 -0.20 -0.01 0.00 1.21 0.00 0.00 56.30 57.62 3g3z h ASN 16 Cb -0.06 -0.28 -0.01 0.00 -1.12 0.00 0.00 38.32 36.85 3g3z h ASN 16 CO -0.06 0.98 0.12 0.58 -1.29 0.00 0.00 177.43 177.76 3g3z h VAL 17 N 1.10 1.16 -0.72 2.81 2.07 -0.99 -0.57 116.25 121.12 3g3z h VAL 17 Ca 0.24 -0.46 0.02 0.00 0.82 0.00 0.00 66.70 67.32 3g3z h VAL 17 Cb 0.28 0.98 -0.04 0.00 -1.52 0.00 0.00 31.29 30.99 3g3z h VAL 17 CO -0.01 0.16 0.46 0.15 0.02 0.00 0.00 177.57 178.35 3g3z h PHE 18 N 0.28 0.86 -0.50 1.57 3.57 -0.89 -1.36 116.94 120.47 3g3z h PHE 18 Ca 0.09 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.61 3g3z h PHE 18 Cb 0.15 -0.29 -0.02 0.00 2.79 0.00 0.00 35.95 38.57 3g3z h PHE 18 CO -0.02 0.51 0.29 -0.44 -2.23 0.00 0.00 178.31 176.43 3g3z h ASP 19 N 0.91 0.59 -0.57 0.41 3.45 -0.87 -1.85 116.42 118.49 3g3z h ASP 19 Ca 0.28 -0.03 -0.09 0.00 0.43 0.00 0.00 57.03 57.62 3g3z h ASP 19 Cb -0.03 -0.15 -0.02 0.00 -0.56 0.00 0.00 39.33 38.57 3g3z h ASP 19 CO -0.09 0.46 0.02 0.50 -1.57 0.00 0.00 179.24 178.56 3g3z h LYS 20 N 0.69 0.99 -0.74 3.56 3.64 -0.10 -0.95 116.57 123.65 3g3z h LYS 20 Ca 0.18 -0.30 -0.04 0.00 -1.27 0.00 0.00 60.65 59.22 3g3z h LYS 20 Cb -0.02 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.68 3g3z h LYS 20 CO -0.03 0.98 0.31 2.35 -2.27 0.00 0.00 179.45 180.78 3g3z h TRP 21 N 0.88 1.12 -0.85 1.91 7.01 -0.87 -1.89 115.95 123.26 3g3z h TRP 21 Ca 0.16 -0.08 -0.01 0.00 2.11 0.00 0.00 58.89 61.08 3g3z h TRP 21 Cb 0.51 -0.34 -0.04 0.00 -2.10 0.00 0.00 29.16 27.20 3g3z h TRP 21 CO 0.04 0.85 0.50 0.82 -2.79 0.00 0.00 178.44 177.86 3g3z h ILE 22 N 1.06 1.24 -1.01 2.65 2.04 -1.15 -2.30 117.51 120.05 3g3z h ILE 22 Ca 0.25 -0.54 0.04 0.00 1.00 0.00 0.00 64.86 65.61 3g3z h ILE 22 Cb 0.19 0.06 -0.06 0.00 -0.74 0.00 0.00 36.82 36.27 3g3z h ILE 22 CO -0.02 0.26 0.66 1.23 0.00 0.00 0.00 178.15 180.27 3g3z h GLY 23 N 1.17 1.49 2.00 5.37 0.00 -0.76 -0.75 103.07 111.60 3g3z h GLY 23 Ca 0.30 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 47.13 3g3z h GLY 23 CO -0.05 0.41 -0.03 1.46 0.00 0.00 0.00 176.54 178.32 3g3z h GLN 24 N 1.26 0.00 -0.08 4.80 1.08 -0.79 -0.97 115.11 120.40 3g3z h GLN 24 Ca 0.41 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.61 3g3z h GLN 24 Cb 0.04 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 27.47 3g3z h GLN 24 CO -0.14 0.03 0.00 1.04 -0.95 0.00 0.00 178.83 178.81 3g3z n GLN 25 N -3.89 1.29 -3.43 1.46 1.13 -0.30 -4.90 117.38 108.74 3g3z n GLN 25 Ca -0.03 -0.43 -0.19 0.00 -1.94 0.00 0.00 57.00 54.41 3g3z n GLN 25 Cb 0.12 -1.27 0.08 0.00 0.11 0.00 0.00 30.24 29.27 3g3z n GLN 25 CO 0.00 0.00 0.00 -0.25 -1.44 0.00 0.00 177.06 175.37 3g3z n ASP 26 N -0.30 -4.22 -3.81 1.08 9.92 -0.37 -5.03 116.55 113.82 3g3z n ASP 26 Ca 0.12 -0.54 -0.15 0.00 -0.53 0.00 0.00 54.79 53.70 3g3z n ASP 26 Cb 0.15 -4.76 -0.09 0.00 -0.64 0.00 0.00 41.12 35.79 3g3z n ASP 26 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 3g3z s LEU 27 N -6.49 1.37 0.45 0.64 1.43 -1.14 -5.05 118.68 109.88 3g3z s LEU 27 Ca 0.29 -1.53 0.06 0.00 -1.03 0.00 0.00 54.13 51.92 3g3z s LEU 27 Cb -0.13 0.54 -0.03 0.00 0.03 0.00 0.00 46.19 46.60 3g3z s LEU 27 CO 0.68 -0.96 0.18 0.54 0.23 0.00 0.00 176.35 177.02 3g3z s ASN 28 N -3.25 4.37 0.17 2.29 2.20 -1.26 -3.51 114.94 115.96 3g3z s ASN 28 Ca 0.39 -1.23 -0.14 0.00 -0.94 0.00 0.00 52.86 50.94 3g3z s ASN 28 Cb 0.05 -0.14 0.10 0.00 -2.00 0.00 0.00 41.25 39.26 3g3z s ASN 28 CO 0.19 -0.69 1.80 0.22 -2.94 0.00 0.00 177.10 175.67 3g3z h TYR 29 N 1.32 0.49 -0.62 1.54 5.03 -1.93 -1.41 116.97 121.38 3g3z h TYR 29 Ca -0.42 0.02 0.03 0.00 2.58 0.00 0.00 58.73 60.94 3g3z h TYR 29 Cb 1.27 -0.15 -0.04 0.00 1.55 0.00 0.00 36.73 39.36 3g3z h TYR 29 CO 0.85 0.26 0.38 -0.91 -1.32 0.00 0.00 178.16 177.42 3g3z h ASN 30 N 0.52 0.62 -0.22 -2.11 -0.26 -1.99 0.12 115.58 112.26 3g3z h ASN 30 Ca 0.20 0.00 -0.06 0.00 -0.56 0.00 0.00 56.30 55.88 3g3z h ASN 30 Cb 0.08 -0.13 -0.01 0.00 -1.06 0.00 0.00 38.32 37.20 3g3z h ASN 30 CO -0.12 0.43 -0.10 -0.07 -1.06 0.00 0.00 177.43 176.51 3g3z h LEU 31 N 0.75 0.48 -0.37 1.61 3.38 -1.91 -3.16 115.31 116.07 3g3z h LEU 31 Ca 0.25 -0.41 0.05 0.00 0.09 0.00 0.00 57.88 57.86 3g3z h LEU 31 Cb 0.02 -0.13 -0.05 0.00 0.09 0.00 0.00 40.66 40.59 3g3z h LEU 31 CO -0.10 0.78 0.11 0.15 0.09 0.00 0.00 178.44 179.46 3g3z h PHE 32 N 0.17 0.18 -0.92 1.13 3.57 -1.01 0.12 116.94 120.19 3g3z h PHE 32 Ca 0.05 0.02 0.20 0.00 3.53 0.00 0.00 57.97 61.77 3g3z h PHE 32 Cb 0.60 -0.03 -0.11 0.00 2.79 0.00 0.00 35.95 39.20 3g3z h PHE 32 CO 0.06 0.06 0.48 0.00 -2.23 0.00 0.00 178.31 176.68 3g3z h ALA 33 N 1.26 1.51 0.03 2.41 0.00 -0.74 0.44 119.26 124.17 3g3z h ALA 33 Ca 0.17 0.12 -0.06 0.00 0.00 0.00 0.00 54.91 55.15 3g3z h ALA 33 Cb 0.18 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.02 3g3z h ALA 33 CO -0.20 -0.22 -0.30 0.28 0.00 0.00 0.00 179.25 178.81 3g3z h VAL 34 N 0.54 1.65 -0.07 0.00 2.07 -1.44 -3.18 116.25 115.82 3g3z h VAL 34 Ca 0.56 -2.37 -0.01 0.00 0.82 0.00 0.00 66.70 65.69 3g3z h VAL 34 Cb 0.98 3.25 -0.00 0.00 -1.52 0.00 0.00 31.29 33.99 3g3z h VAL 34 CO -0.46 0.61 -0.02 -0.07 0.02 0.00 0.00 177.57 177.66 3g3z h LEU 35 N -0.86 0.13 -0.55 2.57 3.38 -0.51 -2.58 115.31 116.89 3g3z h LEU 35 Ca -0.06 -0.37 -0.10 0.00 0.09 0.00 0.00 57.88 57.44 3g3z h LEU 35 Cb 1.17 -0.04 -0.02 0.00 0.09 0.00 0.00 40.66 41.86 3g3z h LEU 35 CO 0.01 0.47 -0.03 0.22 0.09 0.00 0.00 178.44 179.20 3g3z h TYR 36 N -0.21 1.09 -0.01 1.13 3.20 -0.32 -1.46 116.97 120.40 3g3z h TYR 36 Ca 0.02 -0.20 0.00 0.00 3.14 0.00 0.00 58.73 61.69 3g3z h TYR 36 Cb 0.41 -0.28 -0.00 0.00 1.54 0.00 0.00 36.73 38.40 3g3z h TYR 36 CO 0.05 0.99 0.00 1.15 -1.64 0.00 0.00 178.16 178.72 3g3z h THR 37 N 0.87 1.01 -0.24 1.81 2.02 -1.55 -1.10 112.91 115.73 3g3z h THR 37 Ca 0.15 -0.03 -0.08 0.00 0.77 0.00 0.00 66.41 67.22 3g3z h THR 37 Cb 0.58 1.02 -0.01 0.00 -1.74 0.00 0.00 68.15 67.99 3g3z h THR 37 CO 0.03 0.01 -0.22 -0.07 0.37 0.00 0.00 175.52 175.65 3g3z h LEU 38 N -0.00 0.43 -0.65 2.58 3.38 -1.37 0.50 115.31 120.18 3g3z h LEU 38 Ca 0.00 -0.13 -0.13 0.00 0.09 0.00 0.00 57.88 57.71 3g3z h LEU 38 Cb 0.01 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 40.63 3g3z h LEU 38 CO -0.00 0.65 -0.32 0.00 0.09 0.00 0.00 178.44 178.87 3g3z h ALA 39 N 1.38 0.83 0.03 1.53 0.00 -1.09 -1.95 119.26 120.00 3g3z h ALA 39 Ca 0.06 -0.41 -0.37 0.00 0.00 0.00 0.00 54.91 54.19 3g3z h ALA 39 Cb 0.60 -0.13 -0.06 0.00 0.00 0.00 0.00 17.79 18.20 3g3z h ALA 39 CO 0.04 0.64 -2.28 0.25 0.00 0.00 0.00 179.25 177.91 3g3z n THR 40 N -4.07 1.55 0.29 0.00 -2.24 -0.43 -4.46 114.28 104.92 3g3z n THR 40 Ca -0.01 -0.67 0.11 0.00 -2.27 0.00 0.00 64.05 61.22 3g3z n THR 40 Cb 0.48 -1.27 -0.04 0.00 -2.10 0.00 0.00 70.33 67.40 3g3z n THR 40 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3g3z n GLU 41 N -3.19 0.47 0.00 -0.78 1.02 0.17 -5.08 120.64 113.25 3g3z n GLU 41 Ca -0.37 -0.01 0.00 0.00 -0.02 0.00 0.00 57.16 56.75 3g3z n GLU 41 Cb 1.04 -1.65 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 3g3z n GLU 41 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 3g3z n GLY 42 N 1.29 -1.20 3.70 0.62 0.00 -0.73 -4.92 105.19 103.95 3g3z n GLY 42 Ca -0.00 -1.45 -0.42 0.00 0.00 0.00 0.00 46.02 44.15 3g3z n GLY 42 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3g3z s SER 43 N -4.00 6.45 0.05 1.61 0.01 -1.26 -4.25 113.70 112.31 3g3z s SER 43 Ca 0.00 2.74 -0.06 0.00 1.31 0.00 0.00 55.95 59.94 3g3z s SER 43 Cb 0.00 -2.58 -0.01 0.00 0.21 0.00 0.00 66.02 63.64 3g3z s SER 43 CO 0.00 -0.97 0.11 -0.13 0.41 0.00 0.00 173.24 172.66 3g3z s ARG 44 N 2.27 0.67 0.57 12.44 1.81 -1.07 -4.91 118.95 130.74 3g3z s ARG 44 Ca 0.78 -0.86 -0.13 0.00 -1.72 0.00 0.00 55.73 53.80 3g3z s ARG 44 Cb -0.46 0.26 -0.06 0.00 -0.45 0.00 0.00 34.95 34.25 3g3z s ARG 44 CO 0.34 -0.18 1.00 0.95 -0.68 0.00 0.00 175.30 176.74 3g3z s THR 45 N -3.11 4.64 0.36 0.02 -4.23 -1.26 -1.52 115.64 110.53 3g3z s THR 45 Ca -0.01 1.00 0.07 0.00 -1.18 0.00 0.00 61.69 61.57 3g3z s THR 45 Cb 0.02 -3.81 0.30 0.00 1.34 0.00 0.00 72.50 70.35 3g3z s THR 45 CO -0.07 -0.95 1.94 1.56 -0.54 0.00 0.00 174.62 176.56 3g3z h GLN 46 N 0.21 0.73 -0.38 3.99 4.20 -1.82 -1.74 115.11 120.30 3g3z h GLN 46 Ca -0.45 -0.04 -0.01 0.00 0.06 0.00 0.00 58.65 58.21 3g3z h GLN 46 Cb 1.19 -0.16 -0.02 0.00 0.30 0.00 0.00 27.48 28.79 3g3z h GLN 46 CO 0.62 0.48 0.21 -0.22 -0.67 0.00 0.00 178.83 179.25 3g3z h LYS 47 N 0.75 0.52 -0.19 1.46 1.63 -1.94 -1.45 116.57 117.36 3g3z h LYS 47 Ca 0.35 -0.06 -0.01 0.00 -0.85 0.00 0.00 60.65 60.08 3g3z h LYS 47 Cb 0.37 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 31.89 3g3z h LYS 47 CO -0.13 0.42 0.08 1.25 -3.45 0.00 0.00 179.45 177.62 3g3z h HIS 48 N 0.48 0.28 -0.56 1.91 2.76 -1.78 -0.64 115.15 117.60 3g3z h HIS 48 Ca 0.13 -0.02 0.06 0.00 -2.20 0.00 0.00 60.37 58.34 3g3z h HIS 48 Cb 0.05 -0.08 -0.05 0.00 1.55 0.00 0.00 27.41 28.87 3g3z h HIS 48 CO -0.03 0.33 0.27 0.82 -1.30 0.00 0.00 177.93 178.03 3g3z h ILE 49 N 0.15 0.91 -0.56 6.26 2.04 -1.26 0.60 117.51 125.65 3g3z h ILE 49 Ca 0.06 -0.17 -0.11 0.00 1.00 0.00 0.00 64.86 65.64 3g3z h ILE 49 Cb 0.17 0.36 -0.02 0.00 -0.74 0.00 0.00 36.82 36.59 3g3z h ILE 49 CO -0.01 0.09 -0.09 1.23 0.00 0.00 0.00 178.15 179.38 3g3z h GLY 50 N 0.51 1.12 1.05 5.37 0.00 -1.03 -1.87 103.07 108.23 3g3z h GLY 50 Ca 0.26 -0.89 -0.16 0.00 0.00 0.00 0.00 47.33 46.54 3g3z h GLY 50 CO -0.20 0.81 -0.47 0.83 0.00 0.00 0.00 176.54 177.51 3g3z h GLU 51 N 0.93 0.76 -0.12 4.80 5.08 -0.89 0.34 114.58 125.49 3g3z h GLU 51 Ca 0.15 -0.49 0.03 0.00 -1.00 0.00 0.00 59.36 58.05 3g3z h GLU 51 Cb 0.65 0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.93 3g3z h GLU 51 CO 0.05 1.11 -0.06 -0.22 -1.00 0.00 0.00 179.01 178.89 3g3z h LYS 52 N 0.50 -0.04 -0.66 2.33 3.64 -0.81 -3.13 116.57 118.40 3g3z h LYS 52 Ca 0.01 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.39 3g3z h LYS 52 Cb 1.08 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 3g3z h LYS 52 CO 0.11 -0.03 0.00 0.91 -2.27 0.00 0.00 179.45 178.17 3g3z n TRP 53 N -5.19 1.06 -3.62 1.91 7.02 -0.71 -4.95 117.44 112.95 3g3z n TRP 53 Ca -0.04 -0.48 -0.21 0.00 -1.02 0.00 0.00 57.50 55.75 3g3z n TRP 53 Cb 0.12 -0.09 0.05 0.00 -2.42 0.00 0.00 31.31 28.97 3g3z n TRP 53 CO 0.00 0.00 0.00 0.43 -2.02 0.00 0.00 177.69 176.10 3g3z n SER 54 N 1.27 -2.11 -4.41 -0.99 7.64 -0.48 -5.02 113.62 109.52 3g3z n SER 54 Ca 0.23 -0.73 -0.31 0.00 1.01 0.00 0.00 58.87 59.06 3g3z n SER 54 Cb 0.65 -4.46 -0.14 0.00 -1.01 0.00 0.00 64.21 59.26 3g3z n SER 54 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3g3z s LEU 55 N -6.67 2.44 0.81 -3.43 1.43 0.11 -5.03 118.68 108.34 3g3z s LEU 55 Ca 0.10 -0.37 -0.10 0.00 -1.03 0.00 0.00 54.13 52.72 3g3z s LEU 55 Cb -0.05 -1.46 0.08 0.00 0.03 0.00 0.00 46.19 44.80 3g3z s LEU 55 CO 0.78 0.31 1.10 -2.16 0.23 0.00 0.00 176.35 176.61 3g3z s PRO 56 N -0.90 1.96 0.35 1.29 0.04 -1.26 -4.41 135.00 132.07 3g3z s PRO 56 Ca 0.12 1.23 0.06 0.00 0.04 0.00 0.00 61.00 62.45 3g3z s PRO 56 Cb -0.10 -1.86 0.73 0.00 0.04 0.00 0.00 34.50 33.31 3g3z s PRO 56 CO 0.01 -1.87 1.93 0.87 0.04 0.00 0.00 177.00 177.98 3g3z h LYS 57 N -1.30 0.75 -0.35 4.56 1.57 -1.95 -2.54 116.57 117.32 3g3z h LYS 57 Ca -0.44 -0.05 -0.14 0.00 -1.87 0.00 0.00 60.65 58.16 3g3z h LYS 57 Cb 1.24 -0.17 -0.01 0.00 0.08 0.00 0.00 32.23 33.37 3g3z h LYS 57 CO 0.49 0.50 -0.35 1.96 -0.57 0.00 0.00 179.45 181.48 3g3z h GLN 58 N 0.78 0.80 0.27 3.15 7.50 -1.98 0.11 115.11 125.74 3g3z h GLN 58 Ca 0.36 -0.40 -0.00 0.00 0.50 0.00 0.00 58.65 59.11 3g3z h GLN 58 Cb 0.37 0.00 -0.02 0.00 0.05 0.00 0.00 27.48 27.88 3g3z h GLN 58 CO -0.13 1.03 -0.24 1.15 -1.50 0.00 0.00 178.83 179.13 3g3z h THR 59 N 0.67 0.49 -0.64 -0.54 2.02 -1.83 -0.64 112.91 112.44 3g3z h THR 59 Ca 0.06 0.00 0.03 0.00 0.77 0.00 0.00 66.41 67.27 3g3z h THR 59 Cb 0.90 0.49 -0.04 0.00 -1.74 0.00 0.00 68.15 67.76 3g3z h THR 59 CO 0.08 0.00 0.40 0.58 0.37 0.00 0.00 175.52 176.95 3g3z h VAL 60 N -0.53 1.08 -0.52 3.16 2.07 -1.27 -1.62 116.25 118.61 3g3z h VAL 60 Ca -0.01 -0.27 0.02 0.00 0.82 0.00 0.00 66.70 67.26 3g3z h VAL 60 Cb 0.48 0.23 -0.03 0.00 -1.52 0.00 0.00 31.29 30.45 3g3z h VAL 60 CO -0.04 0.14 0.31 0.28 0.02 0.00 0.00 177.57 178.29 3g3z h SER 61 N 0.78 0.51 0.35 0.57 0.02 -0.68 -0.28 113.55 114.81 3g3z h SER 61 Ca 0.26 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.19 3g3z h SER 61 Cb 0.02 -0.11 0.00 0.00 0.14 0.00 0.00 62.40 62.46 3g3z h SER 61 CO -0.10 0.36 -0.17 1.23 -1.14 0.00 0.00 176.83 177.01 3g3z h GLY 62 N 0.62 -0.49 1.26 -3.77 0.00 -0.61 -1.22 103.07 98.86 3g3z h GLY 62 Ca 0.21 0.18 0.01 0.00 0.00 0.00 0.00 47.33 47.72 3g3z h GLY 62 CO -0.09 -0.18 0.49 -2.08 0.00 0.00 0.00 176.54 174.68 3g3z h VAL 63 N -0.48 1.19 -0.08 4.60 2.07 -1.22 -2.32 116.25 120.02 3g3z h VAL 63 Ca -0.05 -0.36 -0.11 0.00 0.82 0.00 0.00 66.70 67.00 3g3z h VAL 63 Cb 0.37 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 3g3z h VAL 63 CO 0.08 0.19 -0.43 0.00 0.02 0.00 0.00 177.57 177.43 3g3z h LYS 65 N 0.15 -0.44 -0.05 0.00 3.64 -0.68 -1.67 116.57 117.53 3g3z h LYS 65 Ca 0.01 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.42 3g3z h LYS 65 Cb 0.83 0.10 -0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3g3z h LYS 65 CO 0.06 -0.29 0.03 1.15 -2.27 0.00 0.00 179.45 178.13 3g3z h THR 66 N -0.45 1.07 -0.64 1.00 2.02 -1.31 -1.44 112.91 113.15 3g3z h THR 66 Ca -0.02 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 66.91 3g3z h THR 66 Cb 0.39 1.12 -0.03 0.00 -1.74 0.00 0.00 68.15 67.89 3g3z h THR 66 CO 0.00 0.06 0.19 -0.07 0.37 0.00 0.00 175.52 176.07 3g3z h LEU 67 N -0.00 0.92 -0.80 2.58 3.38 -1.26 -1.00 115.31 119.14 3g3z h LEU 67 Ca 0.02 -0.16 -0.11 0.00 0.09 0.00 0.00 57.88 57.72 3g3z h LEU 67 Cb 0.07 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 40.57 3g3z h LEU 67 CO -0.00 0.87 -0.24 0.00 0.09 0.00 0.00 178.44 179.16 3g3z h ALA 68 N 1.25 0.97 -0.06 1.53 0.00 -1.18 0.09 119.26 121.87 3g3z h ALA 68 Ca 0.21 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.65 3g3z h ALA 68 Cb 0.29 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 3g3z h ALA 68 CO -0.01 0.60 -0.47 0.78 0.00 0.00 0.00 179.25 180.16 3g3z h GLY 69 N 1.00 0.15 1.18 0.00 0.00 -0.91 -2.12 103.07 102.36 3g3z h GLY 69 Ca 0.08 -0.15 0.00 0.00 0.00 0.00 0.00 47.33 47.26 3g3z h GLY 69 CO 0.05 0.13 0.00 -1.06 0.00 0.00 0.00 176.54 175.67 3g3z n GLN 70 N -3.98 0.72 -1.20 4.80 6.02 -0.41 -4.89 117.38 118.44 3g3z n GLN 70 Ca -0.02 0.01 -0.07 0.00 -0.01 0.00 0.00 57.00 56.92 3g3z n GLN 70 Cb 0.51 -1.50 -0.03 0.00 1.02 0.00 0.00 30.24 30.24 3g3z n GLN 70 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3g3z n GLY 71 N 0.80 0.90 0.08 1.08 0.00 -0.80 -4.92 105.19 102.34 3g3z n GLY 71 Ca 0.18 -0.67 -0.09 0.00 0.00 0.00 0.00 46.02 45.44 3g3z n GLY 71 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 3g3z h LEU 72 N 0.00 0.01 -9.30 0.99 3.38 -1.19 -3.42 115.31 105.77 3g3z h LEU 72 Ca -0.14 -0.01 -0.53 0.00 0.09 0.00 0.00 57.88 57.29 3g3z h LEU 72 Cb 0.47 -0.00 -0.14 0.00 0.09 0.00 0.00 40.66 41.08 3g3z h LEU 72 CO 0.21 1.01 -0.64 0.27 0.09 0.00 0.00 178.44 179.37 3g3z s ILE 73 N -2.60 1.65 -0.06 1.22 -4.36 -1.21 -0.24 121.20 115.59 3g3z s ILE 73 Ca -0.05 -2.07 -0.18 0.00 -0.26 0.00 0.00 60.65 58.09 3g3z s ILE 73 Cb 0.08 -2.68 0.04 0.00 1.25 0.00 0.00 42.46 41.15 3g3z s ILE 73 CO 0.82 -0.14 0.42 -1.83 0.24 0.00 0.00 174.94 174.45 3g3z s GLU 74 N -3.76 0.70 -0.06 0.37 -1.05 -0.04 -4.52 118.70 110.34 3g3z s GLU 74 Ca 0.33 0.11 -0.17 0.00 -0.15 0.00 0.00 54.97 55.09 3g3z s GLU 74 Cb 0.06 0.32 -0.05 0.00 -0.44 0.00 0.00 34.13 34.03 3g3z s GLU 74 CO 0.15 -0.18 0.46 -1.58 0.95 0.00 0.00 175.26 175.06 3g3z s TRP 75 N -0.88 3.61 0.36 4.83 0.51 -1.26 -0.54 118.94 125.57 3g3z s TRP 75 Ca -0.09 0.95 -0.28 0.00 -2.12 0.00 0.00 56.10 54.56 3g3z s TRP 75 Cb -0.04 -2.46 -0.12 0.00 -0.81 0.00 0.00 33.47 30.04 3g3z s TRP 75 CO 0.04 0.35 1.40 0.94 -0.51 0.00 0.00 176.95 179.17 3g3z n GLN 76 N 2.92 2.42 -1.37 4.98 7.27 0.15 -4.98 117.38 128.76 3g3z n GLN 76 Ca -0.10 0.85 -0.33 0.00 0.07 0.00 0.00 57.00 57.49 3g3z n GLN 76 Cb 0.52 -2.51 0.09 0.00 2.41 0.00 0.00 30.24 30.75 3g3z n GLN 76 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 3g3z s GLU 77 N -1.99 2.15 0.00 3.69 0.41 -1.26 -4.60 118.70 117.10 3g3z s GLU 77 Ca 0.54 1.54 0.00 0.00 -0.41 0.00 0.00 54.97 56.64 3g3z s GLU 77 Cb -0.52 -1.86 0.00 0.00 -1.78 0.00 0.00 34.13 29.97 3g3z s GLU 77 CO 0.63 -1.78 0.00 0.41 -0.49 0.00 0.00 175.26 174.03 3g3z n GLY 78 N -0.11 0.45 0.10 -1.39 0.00 -1.26 -4.99 105.19 97.99 3g3z n GLY 78 Ca 0.12 -1.13 -0.01 0.00 0.00 0.00 0.00 46.02 45.00 3g3z n GLY 78 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 3g3z h GLU 79 N 0.00 0.00 -7.27 1.61 4.81 -2.04 -3.47 114.58 108.22 3g3z h GLU 79 Ca 0.00 0.00 -0.52 0.00 -0.13 0.00 0.00 59.36 58.71 3g3z h GLU 79 Cb 0.00 0.00 0.18 0.00 0.63 0.00 0.00 28.75 29.56 3g3z h GLU 79 CO 0.00 0.53 0.26 -0.65 -0.73 0.00 0.00 179.01 178.42 3g3z s GLN 80 N -2.87 1.35 0.41 1.92 -0.21 -1.26 -4.96 119.66 114.04 3g3z s GLN 80 Ca 0.00 1.51 -0.26 0.00 0.02 0.00 0.00 55.36 56.63 3g3z s GLN 80 Cb 0.08 -1.77 -0.10 0.00 1.00 0.00 0.00 33.01 32.23 3g3z s GLN 80 CO 0.79 -2.38 1.30 -0.25 -2.12 0.00 0.00 175.29 172.63 3g3z n ASP 81 N -3.96 2.71 -0.34 5.90 9.92 -1.26 -4.81 116.55 124.72 3g3z n ASP 81 Ca 0.12 1.13 0.11 0.00 -0.53 0.00 0.00 54.79 55.61 3g3z n ASP 81 Cb 0.52 -1.51 0.23 0.00 -0.64 0.00 0.00 41.12 39.71 3g3z n ASP 81 CO 0.00 0.00 0.00 -0.09 0.13 0.00 0.00 177.20 177.24 3g3z h ARG 82 N 2.21 0.01 0.00 -1.24 2.43 -1.94 0.99 114.38 116.84 3g3z h ARG 82 Ca -0.48 -0.00 -0.00 0.00 -0.81 0.00 0.00 59.98 58.69 3g3z h ARG 82 Cb 1.29 -0.00 -0.00 0.00 -0.42 0.00 0.00 29.97 30.83 3g3z h ARG 82 CO 0.61 0.01 -0.01 0.07 -1.51 0.00 0.00 179.97 179.13 3g3z h ARG 83 N 0.01 0.00 0.00 0.20 0.11 -2.01 -1.38 114.38 111.31 3g3z h ARG 83 Ca 0.54 0.00 0.00 0.00 0.10 0.00 0.00 59.98 60.62 3g3z h ARG 83 Cb 1.02 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.10 3g3z h ARG 83 CO -0.94 0.01 -0.92 1.63 0.10 0.00 0.00 179.97 179.86 3g3z n LYS 84 N -3.19 0.19 -2.58 0.08 5.02 0.33 -4.15 118.16 113.86 3g3z n LYS 84 Ca -0.02 -0.00 -0.32 0.00 -2.02 0.00 0.00 58.31 55.94 3g3z n LYS 84 Cb 0.15 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.55 3g3z n LYS 84 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3g3z s ARG 85 N -3.13 4.06 0.14 1.97 0.52 -0.52 -4.92 118.95 117.05 3g3z s ARG 85 Ca 0.06 1.01 -0.31 0.00 -0.52 0.00 0.00 55.73 55.96 3g3z s ARG 85 Cb 0.15 -2.16 -0.09 0.00 0.52 0.00 0.00 34.95 33.37 3g3z s ARG 85 CO 0.79 -0.16 1.49 -0.51 0.02 0.00 0.00 175.30 176.93 3g3z s LEU 86 N -3.70 4.37 0.15 2.53 1.43 -1.26 -4.63 118.68 117.57 3g3z s LEU 86 Ca 0.60 2.47 -0.11 0.00 -1.03 0.00 0.00 54.13 56.06 3g3z s LEU 86 Cb -0.10 -3.59 -0.07 0.00 0.03 0.00 0.00 46.19 42.47 3g3z s LEU 86 CO 0.24 -0.75 0.51 -0.22 0.23 0.00 0.00 176.35 176.35 3g3z s LEU 87 N 1.22 4.29 -0.06 1.79 2.96 -0.58 0.31 118.68 128.62 3g3z s LEU 87 Ca 0.68 0.94 -0.10 0.00 -0.22 0.00 0.00 54.13 55.43 3g3z s LEU 87 Cb -0.40 -3.32 0.02 0.00 0.50 0.00 0.00 46.19 42.98 3g3z s LEU 87 CO 0.31 0.07 0.24 -0.55 -1.32 0.00 0.00 176.35 175.09 3g3z s SER 88 N -1.95 -0.18 0.28 3.68 0.15 0.30 -2.59 113.70 113.40 3g3z s SER 88 Ca 0.40 0.26 -0.30 0.00 0.70 0.00 0.00 55.95 57.01 3g3z s SER 88 Cb -0.14 0.40 -0.10 0.00 -1.71 0.00 0.00 66.02 64.47 3g3z s SER 88 CO 0.20 -0.23 1.45 -0.76 1.20 0.00 0.00 173.24 175.10 3g3z s LEU 89 N -0.51 4.38 1.05 3.45 1.02 -1.26 -0.86 118.68 125.94 3g3z s LEU 89 Ca -0.06 2.76 -0.17 0.00 0.02 0.00 0.00 54.13 56.68 3g3z s LEU 89 Cb -0.04 -3.63 0.23 0.00 0.02 0.00 0.00 46.19 42.77 3g3z s LEU 89 CO 0.01 -0.73 1.25 0.42 0.02 0.00 0.00 176.35 177.33 3g3z s THR 90 N -0.33 1.86 0.19 5.49 -4.23 0.67 -4.75 115.64 114.53 3g3z s THR 90 Ca 0.57 0.00 -0.12 0.00 -1.18 0.00 0.00 61.69 60.97 3g3z s THR 90 Cb -0.43 -2.83 0.11 0.00 1.34 0.00 0.00 72.50 70.69 3g3z s THR 90 CO 0.48 0.00 1.80 -0.33 -0.54 0.00 0.00 174.62 176.03 3g3z h GLU 91 N -1.98 0.60 -0.05 3.99 4.39 -1.89 0.90 114.58 120.54 3g3z h GLU 91 Ca -0.44 -0.04 -0.07 0.00 0.34 0.00 0.00 59.36 59.15 3g3z h GLU 91 Cb 1.25 -0.14 -0.01 0.00 -0.10 0.00 0.00 28.75 29.76 3g3z h GLU 91 CO 0.36 0.40 -0.30 1.79 -1.16 0.00 0.00 179.01 180.09 3g3z h THR 92 N 0.62 1.24 -0.31 1.13 1.35 -1.88 -2.25 112.91 112.80 3g3z h THR 92 Ca 0.25 -1.13 -0.06 0.00 -0.55 0.00 0.00 66.41 64.92 3g3z h THR 92 Cb 0.12 1.54 -0.01 0.00 -1.73 0.00 0.00 68.15 68.07 3g3z h THR 92 CO -0.15 0.33 -0.02 1.23 -0.25 0.00 0.00 175.52 176.66 3g3z h GLY 93 N 0.98 0.62 1.00 5.82 0.00 -1.37 -0.38 103.07 109.74 3g3z h GLY 93 Ca 0.01 -0.47 0.01 0.00 0.00 0.00 0.00 47.33 46.87 3g3z h GLY 93 CO 0.04 0.43 0.39 0.50 0.00 0.00 0.00 176.54 177.91 3g3z h LYS 94 N 0.36 0.78 -0.46 4.80 1.57 -0.62 0.29 116.57 123.28 3g3z h LYS 94 Ca 0.09 -0.05 -0.04 0.00 -1.87 0.00 0.00 60.65 58.78 3g3z h LYS 94 Cb 0.48 -0.18 -0.02 0.00 0.08 0.00 0.00 32.23 32.60 3g3z h LYS 94 CO 0.02 0.52 0.14 0.00 -0.57 0.00 0.00 179.45 179.57 3g3z h ALA 95 N 1.21 0.61 -0.23 3.86 0.00 -1.32 -1.40 119.26 121.99 3g3z h ALA 95 Ca 0.22 -0.18 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 3g3z h ALA 95 Cb -0.09 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.51 3g3z h ALA 95 CO -0.05 0.26 -0.02 -0.92 0.00 0.00 0.00 179.25 178.52 3g3z h TYR 96 N 0.62 0.35 0.00 0.00 5.03 -0.73 -3.04 116.97 119.20 3g3z h TYR 96 Ca 0.15 -0.03 0.00 0.00 2.58 0.00 0.00 58.73 61.43 3g3z h TYR 96 Cb 0.27 -0.11 0.00 0.00 1.55 0.00 0.00 36.73 38.45 3g3z h TYR 96 CO 0.01 0.38 -0.93 0.00 -1.32 0.00 0.00 178.16 176.30 3g3z h ALA 97 N 1.65 0.52 -0.39 1.82 0.00 -0.73 -3.39 119.26 118.74 3g3z h ALA 97 Ca 0.08 0.00 0.08 0.00 0.00 0.00 0.00 54.91 55.07 3g3z h ALA 97 Cb 0.27 0.00 -0.08 0.00 0.00 0.00 0.00 17.79 17.98 3g3z h ALA 97 CO 0.01 0.00 -0.14 0.00 0.00 0.00 0.00 179.25 179.12 3g3z h ALA 98 N 2.06 0.20 -0.72 0.00 0.00 -1.13 -0.36 119.26 119.31 3g3z h ALA 98 Ca 0.00 0.15 0.00 0.00 0.00 0.00 0.00 54.91 55.06 3g3z h ALA 98 Cb 0.97 0.37 -0.04 0.00 0.00 0.00 0.00 17.79 19.09 3g3z h ALA 98 CO 0.00 -0.49 0.46 -1.35 0.00 0.00 0.00 179.25 177.86 3g3z h PRO 99 N -0.05 0.95 -0.48 0.00 0.11 -1.75 -2.32 132.00 128.47 3g3z h PRO 99 Ca 0.19 -0.07 -0.04 0.00 0.11 0.00 0.00 66.00 66.19 3g3z h PRO 99 Cb 0.35 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.23 3g3z h PRO 99 CO -0.43 0.64 0.13 1.25 -0.21 0.00 0.00 178.00 179.38 3g3z h LEU 100 N 0.98 0.72 -0.66 2.35 5.85 -1.35 0.13 115.31 123.32 3g3z h LEU 100 Ca 0.26 -0.22 -0.09 0.00 0.84 0.00 0.00 57.88 58.67 3g3z h LEU 100 Cb -0.09 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 40.73 3g3z h LEU 100 CO -0.05 0.75 0.08 0.74 -0.34 0.00 0.00 178.44 179.62 3g3z h THR 101 N 0.65 1.27 0.05 1.05 2.02 -0.87 -0.63 112.91 116.45 3g3z h THR 101 Ca 0.15 -1.08 -0.00 0.00 0.77 0.00 0.00 66.41 66.25 3g3z h THR 101 Cb 0.31 0.67 0.00 0.00 -1.74 0.00 0.00 68.15 67.39 3g3z h THR 101 CO -0.00 0.40 -0.02 -0.33 0.37 0.00 0.00 175.52 175.94 3g3z h GLU 102 N 1.03 -0.06 0.00 6.66 5.08 -1.16 -1.67 114.58 124.46 3g3z h GLU 102 Ca 0.20 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.53 3g3z h GLU 102 Cb 0.48 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.74 3g3z h GLU 102 CO 0.02 0.20 -0.16 0.66 -1.00 0.00 0.00 179.01 178.73 3g3z h SER 103 N -0.32 0.00 -0.28 1.42 4.64 -0.90 -1.09 113.55 117.01 3g3z h SER 103 Ca -0.01 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 61.17 3g3z h SER 103 Cb 0.29 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.38 3g3z h SER 103 CO 0.01 0.16 -0.36 0.00 -0.87 0.00 0.00 176.83 175.76 3g3z h ALA 104 N 1.84 0.43 -0.58 5.18 0.00 -0.92 -1.80 119.26 123.41 3g3z h ALA 104 Ca -0.00 -0.44 -0.09 0.00 0.00 0.00 0.00 54.91 54.38 3g3z h ALA 104 Cb 0.47 -0.08 -0.02 0.00 0.00 0.00 0.00 17.79 18.16 3g3z h ALA 104 CO 0.02 0.50 0.02 0.37 0.00 0.00 0.00 179.25 180.16 3g3z h GLN 105 N 0.50 1.02 0.43 0.00 5.75 -0.71 0.47 115.11 122.56 3g3z h GLN 105 Ca 0.04 -0.32 -0.01 0.00 -0.15 0.00 0.00 58.65 58.20 3g3z h GLN 105 Cb 0.95 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.40 3g3z h GLN 105 CO 0.09 1.00 -0.27 1.49 -2.65 0.00 0.00 178.83 178.49 3g3z h GLU 106 N 0.91 -0.64 -0.67 1.69 4.81 -1.22 -0.53 114.58 118.92 3g3z h GLU 106 Ca 0.17 0.04 0.03 0.00 -0.13 0.00 0.00 59.36 59.47 3g3z h GLU 106 Cb 0.53 0.15 -0.04 0.00 0.63 0.00 0.00 28.75 30.01 3g3z h GLU 106 CO 0.03 -0.43 0.41 0.35 -0.73 0.00 0.00 179.01 178.64 3g3z h PHE 107 N -0.67 0.77 -0.85 0.92 3.57 -1.27 -2.01 116.94 117.40 3g3z h PHE 107 Ca -0.05 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 3g3z h PHE 107 Cb 0.55 -0.25 -0.05 0.00 2.79 0.00 0.00 35.95 38.99 3g3z h PHE 107 CO -0.10 0.43 0.56 1.03 -2.23 0.00 0.00 178.31 178.00 3g3z h SER 108 N 0.80 0.90 -0.03 0.41 0.87 -0.69 -1.07 113.55 114.73 3g3z h SER 108 Ca 0.27 -0.01 -0.04 0.00 -1.23 0.00 0.00 61.79 60.79 3g3z h SER 108 Cb 0.04 -0.20 0.00 0.00 -0.44 0.00 0.00 62.40 61.80 3g3z h SER 108 CO -0.12 0.61 -0.13 0.44 -0.53 0.00 0.00 176.83 177.10 3g3z h ASP 109 N 1.04 0.17 -0.64 6.23 3.32 -0.45 -2.26 116.42 123.82 3g3z h ASP 109 Ca 0.35 -0.66 0.04 0.00 0.02 0.00 0.00 57.03 56.78 3g3z h ASP 109 Cb 0.07 -0.05 -0.05 0.00 0.22 0.00 0.00 39.33 39.52 3g3z h ASP 109 CO -0.11 0.80 0.37 0.11 -1.72 0.00 0.00 179.24 178.69 3g3z h LYS 110 N -0.45 0.69 -0.48 3.56 1.57 -1.33 -2.74 116.57 117.39 3g3z h LYS 110 Ca -0.01 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.60 3g3z h LYS 110 Cb 0.79 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.93 3g3z h LYS 110 CO 0.03 0.46 -0.20 0.28 -0.57 0.00 0.00 179.45 179.44 3g3z h VAL 111 N 0.71 1.27 -0.47 0.50 2.07 -1.16 -3.00 116.25 116.16 3g3z h VAL 111 Ca 0.27 -1.37 0.00 0.00 0.82 0.00 0.00 66.70 66.43 3g3z h VAL 111 Cb 0.10 1.13 0.00 0.00 -1.52 0.00 0.00 31.29 31.00 3g3z h VAL 111 CO -0.14 0.47 0.00 0.49 0.02 0.00 0.00 177.57 178.41 3g3z n PHE 112 N -4.13 0.62 -0.33 1.57 3.72 -0.86 -4.57 117.46 113.49 3g3z n PHE 112 Ca -0.00 -0.31 0.09 0.00 -0.05 0.00 0.00 57.45 57.18 3g3z n PHE 112 Cb 0.45 0.00 0.20 0.00 -0.94 0.00 0.00 39.48 39.19 3g3z n PHE 112 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3g3z h ALA 113 N 4.21 0.87 0.00 4.37 0.00 -1.34 0.11 119.26 127.48 3g3z h ALA 113 Ca 0.00 0.34 0.00 0.00 0.00 0.00 0.00 54.91 55.25 3g3z h ALA 113 Cb 0.81 0.62 0.00 0.00 0.00 0.00 0.00 17.79 19.22 3g3z h ALA 113 CO 0.00 -0.47 0.00 0.25 0.00 0.00 0.00 179.25 179.03 3g3z n THR 114 N -5.52 0.00 -3.79 0.00 -2.24 -1.26 -4.79 114.28 96.68 3g3z n THR 114 Ca 0.18 0.00 -0.35 0.00 -2.27 0.00 0.00 64.05 61.61 3g3z n THR 114 Cb 0.59 -0.50 -0.05 0.00 -2.10 0.00 0.00 70.33 68.27 3g3z n THR 114 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3g3z s PHE 115 N -2.84 3.57 0.55 4.78 0.40 0.38 -5.11 117.98 119.72 3g3z s PHE 115 Ca 0.19 0.54 -0.03 0.00 -0.60 0.00 0.00 56.93 57.03 3g3z s PHE 115 Cb 0.19 -1.96 0.01 0.00 0.51 0.00 0.00 43.02 41.78 3g3z s PHE 115 CO 0.50 0.63 0.82 0.20 0.70 0.00 0.00 175.22 178.07 3g3z s GLY 116 N -1.70 1.63 0.36 4.36 0.00 -1.26 -4.97 107.32 105.74 3g3z s GLY 116 Ca 0.27 -0.92 0.08 0.00 0.00 0.00 0.00 44.72 44.14 3g3z s GLY 116 CO 0.16 -0.67 1.86 -0.55 0.00 0.00 0.00 173.10 173.90 3g3z h ASP 117 N 0.01 0.29 -0.05 1.64 3.32 -1.99 -1.60 116.42 118.05 3g3z h ASP 117 Ca -0.45 -0.07 0.02 0.00 0.02 0.00 0.00 57.03 56.55 3g3z h ASP 117 Cb 1.27 -0.08 -0.03 0.00 0.22 0.00 0.00 39.33 40.71 3g3z h ASP 117 CO 0.58 0.47 -0.10 0.11 -1.72 0.00 0.00 179.24 178.58 3g3z h LYS 118 N 0.28 -0.15 -0.61 3.56 1.57 -1.99 -0.06 116.57 119.17 3g3z h LYS 118 Ca 0.05 0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3g3z h LYS 118 Cb 0.45 0.03 -0.03 0.00 0.08 0.00 0.00 32.23 32.77 3g3z h LYS 118 CO 0.03 -0.10 0.30 0.00 -0.57 0.00 0.00 179.45 179.11 3g3z h ARG 119 N -0.15 0.88 -0.17 3.15 3.08 -1.89 -2.53 114.38 116.75 3g3z h ARG 119 Ca 0.06 -0.13 -0.09 0.00 0.07 0.00 0.00 59.98 59.89 3g3z h ARG 119 Cb 0.23 -0.16 -0.00 0.00 0.08 0.00 0.00 29.97 30.12 3g3z h ARG 119 CO -0.14 0.71 -0.23 1.79 -1.07 0.00 0.00 179.97 181.03 3g3z h THR 120 N 0.84 1.34 -0.79 2.04 1.35 -1.15 0.39 112.91 116.94 3g3z h THR 120 Ca 0.21 -1.42 0.18 0.00 -0.55 0.00 0.00 66.41 64.82 3g3z h THR 120 Cb 0.12 1.86 -0.11 0.00 -1.73 0.00 0.00 68.15 68.28 3g3z h THR 120 CO -0.03 0.43 0.24 0.74 -0.25 0.00 0.00 175.52 176.65 3g3z h THR 121 N 0.11 0.51 -0.31 6.82 2.02 -0.99 0.30 112.91 121.37 3g3z h THR 121 Ca 0.02 -0.11 -0.08 0.00 0.77 0.00 0.00 66.41 67.01 3g3z h THR 121 Cb 0.79 0.16 -0.01 0.00 -1.74 0.00 0.00 68.15 67.35 3g3z h THR 121 CO 0.05 0.06 -0.12 -0.09 0.37 0.00 0.00 175.52 175.80 3g3z h ARG 122 N 0.32 0.62 -0.62 6.66 9.65 -1.22 0.04 114.38 129.82 3g3z h ARG 122 Ca 0.46 -0.26 0.05 0.00 -1.10 0.00 0.00 59.98 59.13 3g3z h ARG 122 Cb 0.80 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 29.31 3g3z h ARG 122 CO -0.51 0.83 0.34 1.25 2.80 0.00 0.00 179.97 184.67 3g3z h LEU 123 N 0.38 0.50 -0.67 3.80 5.85 -0.05 0.22 115.31 125.34 3g3z h LEU 123 Ca 0.07 0.03 -0.10 0.00 0.84 0.00 0.00 57.88 58.72 3g3z h LEU 123 Cb 0.62 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.56 3g3z h LEU 123 CO 0.04 0.33 -0.07 -0.26 -0.34 0.00 0.00 178.44 178.14 3g3z h PHE 124 N 0.64 1.06 -0.27 1.25 0.04 -0.24 -0.35 116.94 119.06 3g3z h PHE 124 Ca 0.27 -0.20 -0.08 0.00 2.80 0.00 0.00 57.97 60.77 3g3z h PHE 124 Cb 0.16 -0.27 -0.01 0.00 2.20 0.00 0.00 35.95 38.02 3g3z h PHE 124 CO -0.08 0.98 -0.17 0.00 -0.60 0.00 0.00 178.31 178.43 3g3z h ALA 125 N 1.04 1.20 -0.16 2.45 0.00 -0.71 -1.64 119.26 121.44 3g3z h ALA 125 Ca 0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3g3z h ALA 125 Cb 0.61 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 3g3z h ALA 125 CO 0.04 0.51 0.04 -0.44 0.00 0.00 0.00 179.25 179.40 3g3z h ASP 126 N 0.44 0.23 -0.43 0.00 3.32 -0.14 0.42 116.42 120.25 3g3z h ASP 126 Ca 0.08 -0.22 0.02 0.00 0.02 0.00 0.00 57.03 56.92 3g3z h ASP 126 Cb 0.55 -0.06 -0.03 0.00 0.22 0.00 0.00 39.33 40.01 3g3z h ASP 126 CO 0.04 0.39 0.26 -0.07 -1.72 0.00 0.00 179.24 178.13 3g3z h LEU 127 N 0.06 0.41 -0.13 1.55 3.38 -1.01 0.25 115.31 119.82 3g3z h LEU 127 Ca 0.05 0.00 0.03 0.00 0.09 0.00 0.00 57.88 58.06 3g3z h LEU 127 Cb 0.25 -0.08 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 3g3z h LEU 127 CO -0.00 0.30 -0.08 0.44 0.09 0.00 0.00 178.44 179.18 3g3z h ASP 128 N 0.52 -0.27 -0.56 -0.43 3.32 -1.20 0.86 116.42 118.66 3g3z h ASP 128 Ca 0.17 0.06 0.04 0.00 0.02 0.00 0.00 57.03 57.33 3g3z h ASP 128 Cb 0.01 0.14 -0.05 0.00 0.22 0.00 0.00 39.33 39.66 3g3z h ASP 128 CO -0.08 -0.11 0.31 0.00 -1.72 0.00 0.00 179.24 177.63 3g3z h ALA 129 N 1.02 0.73 -0.06 3.45 0.00 -0.59 -0.25 119.26 123.57 3g3z h ALA 129 Ca 0.08 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.03 3g3z h ALA 129 Cb 0.20 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 17.86 3g3z h ALA 129 CO -0.18 -0.02 -0.10 1.25 0.00 0.00 0.00 179.25 180.20 3g3z h LEU 130 N 0.59 -0.29 -0.37 0.00 6.46 -0.11 -1.91 115.31 119.68 3g3z h LEU 130 Ca 0.25 0.05 0.06 0.00 -0.12 0.00 0.00 57.88 58.12 3g3z h LEU 130 Cb 0.13 0.14 -0.05 0.00 -0.73 0.00 0.00 40.66 40.14 3g3z h LEU 130 CO -0.15 -0.14 0.04 0.00 -0.62 0.00 0.00 178.44 177.57 3g3z h ALA 131 N 0.89 0.36 -0.34 1.25 0.00 -0.41 -2.92 119.26 118.09 3g3z h ALA 131 Ca 0.06 0.09 0.07 0.00 0.00 0.00 0.00 54.91 55.13 3g3z h ALA 131 Cb 0.22 0.14 -0.07 0.00 0.00 0.00 0.00 17.79 18.07 3g3z h ALA 131 CO -0.14 -0.36 -0.12 0.93 0.00 0.00 0.00 179.25 179.55 3g3z h GLU 132 N 0.15 -0.05 0.00 0.00 5.08 -0.59 -0.18 114.58 119.00 3g3z h GLU 132 Ca 0.18 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.54 3g3z h GLU 132 Cb 0.23 0.01 0.00 0.00 0.50 0.00 0.00 28.75 29.49 3g3z h GLU 132 CO -0.26 -0.03 0.00 0.28 -1.00 0.00 0.00 179.01 178.00 3g3z n VAL 133 N -5.31 0.00 0.00 3.13 0.31 -0.76 -1.13 118.33 114.58 3g3z n VAL 133 Ca 0.01 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.34 3g3z n VAL 133 Cb 0.22 -0.08 0.00 0.00 -0.91 0.00 0.00 33.84 33.07 3g3z n VAL 133 CO 0.00 0.00 0.00 -0.62 -1.32 0.00 0.00 176.83 174.89 3g3z n GLU 135 N 0.32 0.00 -0.13 5.55 -0.58 -0.08 -1.11 120.64 124.61 3g3z n GLU 135 Ca 0.00 0.00 -0.10 0.00 -0.42 0.00 0.00 57.16 56.64 3g3z n GLU 135 Cb 0.00 0.00 -0.01 0.00 -0.57 0.00 0.00 31.44 30.86 3g3z n GLU 135 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3g3z h LYS 136 N 0.00 0.61 -0.67 3.49 3.11 -1.37 0.69 116.57 122.42 3g3z h LYS 136 Ca 0.00 -0.15 -0.06 0.00 -2.81 0.00 0.00 60.65 57.63 3g3z h LYS 136 Cb 0.00 -0.08 -0.03 0.00 -1.00 0.00 0.00 32.23 31.12 3g3z h LYS 136 CO 0.00 0.64 0.17 1.15 -2.81 0.00 0.00 179.45 178.60 3g3z h THR 137 N 0.47 1.25 -0.38 1.00 2.02 -1.36 -1.54 112.91 114.37 3g3z h THR 137 Ca 0.12 -0.93 -0.03 0.00 0.77 0.00 0.00 66.41 66.34 3g3z h THR 137 Cb 0.30 0.55 -0.02 0.00 -1.74 0.00 0.00 68.15 67.25 3g3z h THR 137 CO 0.00 0.35 0.10 0.40 0.37 0.00 0.00 175.52 176.75 3g3z h ILE 138 N 1.01 1.22 -0.56 3.11 2.04 -1.75 -2.76 117.51 119.82 3g3z h ILE 138 Ca 0.21 -0.75 0.06 0.00 1.00 0.00 0.00 64.86 65.38 3g3z h ILE 138 Cb 0.34 0.99 -0.05 0.00 -0.74 0.00 0.00 36.82 37.36 3g3z h ILE 138 CO -0.00 0.26 0.27 0.28 0.00 0.00 0.00 178.15 178.96 3g3z h SER 139 N 0.47 0.37 -0.43 1.72 0.02 -0.52 -2.34 113.55 112.84 3g3z h SER 139 Ca 0.12 0.04 0.07 0.00 -0.84 0.00 0.00 61.79 61.18 3g3z h SER 139 Cb 0.29 -0.02 -0.06 0.00 0.14 0.00 0.00 62.40 62.74 3g3z h SER 139 CO -0.00 0.24 0.06 -0.33 -1.14 0.00 0.00 176.83 175.66 3g3z h GLU 140 N 0.51 0.17 0.00 3.45 5.08 -1.20 -2.14 114.58 120.45 3g3z h GLU 140 Ca 0.26 -0.01 -0.02 0.00 -1.00 0.00 0.00 59.36 58.58 3g3z h GLU 140 Cb 0.20 -0.04 -0.00 0.00 0.50 0.00 0.00 28.75 29.41 3g3z h GLU 140 CO -0.20 0.12 -0.11 -0.91 -1.00 0.00 0.00 179.01 176.90 3g3z h ASN 141 N 0.18 0.00 0.00 1.42 2.35 -1.14 -3.52 115.58 114.87 3g3z h ASN 141 Ca 0.21 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.96 3g3z h ASN 141 Cb 0.28 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.65 3g3z h ASN 141 CO -0.30 0.11 0.00 0.29 -1.65 0.00 0.00 177.43 175.88