#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 0.38 -0.83 1.20 5.75 -2.05 -0.09 115.11 119.47 3g3z h GLN 3 Ca 0.00 -0.02 -0.04 0.00 -0.15 0.00 0.00 58.65 58.44 3g3z h GLN 3 Cb 0.00 -0.08 -0.04 0.00 1.07 0.00 0.00 27.48 28.43 3g3z h GLN 3 CO 0.00 0.25 0.37 1.25 -2.65 0.00 0.00 178.83 178.05 3g3z h LEU 4 N 0.39 1.11 -0.39 -2.39 6.46 -2.05 0.11 115.31 118.56 3g3z h LEU 4 Ca 0.13 -0.15 -0.05 0.00 -0.12 0.00 0.00 57.88 57.68 3g3z h LEU 4 Cb 0.00 -0.29 -0.01 0.00 -0.73 0.00 0.00 40.66 39.63 3g3z h LEU 4 CO -0.06 0.96 0.05 -0.78 -0.62 0.00 0.00 178.44 177.98 3g3z h ASP 5 N 1.19 0.63 -0.42 1.25 3.58 -1.89 0.12 116.42 120.89 3g3z h ASP 5 Ca 0.28 -0.27 -0.07 0.00 0.42 0.00 0.00 57.03 57.38 3g3z h ASP 5 Cb 0.17 -0.17 -0.02 0.00 1.72 0.00 0.00 39.33 41.03 3g3z h ASP 5 CO -0.03 0.75 0.00 1.56 -2.88 0.00 0.00 179.24 178.64 3g3z h GLN 6 N 0.49 0.81 -0.01 0.28 4.20 -0.54 -2.02 115.11 118.33 3g3z h GLN 6 Ca 0.12 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3g3z h GLN 6 Cb 0.39 -0.09 -0.00 0.00 0.30 0.00 0.00 27.48 28.08 3g3z h GLN 6 CO 0.01 0.81 -0.01 1.25 -0.67 0.00 0.00 178.83 180.22 3g3z h LEU 7 N 0.76 0.02 -0.67 1.46 5.85 -0.61 -3.14 115.31 118.98 3g3z h LEU 7 Ca 0.15 -0.55 0.04 0.00 0.84 0.00 0.00 57.88 58.35 3g3z h LEU 7 Cb 0.45 -0.01 -0.04 0.00 0.37 0.00 0.00 40.66 41.43 3g3z h LEU 7 CO 0.02 0.57 0.41 1.23 -0.34 0.00 0.00 178.44 180.33 3g3z h GLY 8 N -0.52 0.97 1.40 3.75 0.00 -0.63 -0.66 103.07 107.37 3g3z h GLY 8 Ca 0.00 -0.30 -0.09 0.00 0.00 0.00 0.00 47.33 46.94 3g3z h GLY 8 CO 0.00 0.24 -0.10 -0.91 0.00 0.00 0.00 176.54 175.78 3g3z h THR 9 N 0.79 1.25 0.11 4.70 1.35 -1.49 -2.81 112.91 116.81 3g3z h THR 9 Ca 0.28 -1.12 -0.27 0.00 -0.55 0.00 0.00 66.41 64.75 3g3z h THR 9 Cb 0.06 1.04 -0.00 0.00 -1.73 0.00 0.00 68.15 67.52 3g3z h THR 9 CO -0.12 0.38 -1.27 0.03 -0.25 0.00 0.00 175.52 174.29 3g3z h ARG 10 N 0.65 0.23 -0.19 4.72 3.08 -1.29 -2.21 114.38 119.37 3g3z h ARG 10 Ca 0.12 -0.40 -0.17 0.00 0.07 0.00 0.00 59.98 59.59 3g3z h ARG 10 Cb 0.55 0.15 -0.00 0.00 0.08 0.00 0.00 29.97 30.74 3g3z h ARG 10 CO 0.03 1.17 -0.59 -0.84 -1.07 0.00 0.00 179.97 178.67 3g3z h ILE 11 N 0.06 1.32 0.00 2.04 3.07 -1.22 -2.63 117.51 120.15 3g3z h ILE 11 Ca -0.14 -1.84 -0.07 0.00 1.55 0.00 0.00 64.86 64.36 3g3z h ILE 11 Cb 1.96 1.80 -0.01 0.00 -0.27 0.00 0.00 36.82 40.30 3g3z h ILE 11 CO 0.19 0.58 -0.34 0.78 -1.05 0.00 0.00 178.15 178.30 3g3z h ASN 12 N 0.46 0.00 -0.04 2.16 2.35 -1.53 -1.10 115.58 117.88 3g3z h ASN 12 Ca -0.00 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.73 3g3z h ASN 12 Cb 1.16 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.53 3g3z h ASN 12 CO 0.11 0.34 -0.05 0.25 -1.65 0.00 0.00 177.43 176.44 3g3z h LEU 13 N 0.00 0.12 -0.07 1.61 5.85 -1.32 -0.95 115.31 120.55 3g3z h LEU 13 Ca -0.00 -0.50 0.02 0.00 0.84 0.00 0.00 57.88 58.24 3g3z h LEU 13 Cb 0.68 -0.03 -0.02 0.00 0.37 0.00 0.00 40.66 41.66 3g3z h LEU 13 CO 0.04 0.59 -0.07 0.40 -0.34 0.00 0.00 178.44 179.07 3g3z h ILE 14 N -0.35 0.81 -0.60 4.05 1.08 -1.35 0.37 117.51 121.52 3g3z h ILE 14 Ca 0.01 0.00 0.11 0.00 -0.39 0.00 0.00 64.86 64.58 3g3z h ILE 14 Cb 0.56 0.81 -0.08 0.00 -3.07 0.00 0.00 36.82 35.03 3g3z h ILE 14 CO 0.01 0.00 0.15 0.00 -0.69 0.00 0.00 178.15 177.62 3g3z h ASN 16 N 0.29 0.26 -0.09 0.00 -1.24 -0.68 -1.66 115.58 112.46 3g3z h ASN 16 Ca 0.31 0.02 -0.15 0.00 0.71 0.00 0.00 56.30 57.19 3g3z h ASN 16 Cb 0.44 -0.03 -0.01 0.00 0.73 0.00 0.00 38.32 39.45 3g3z h ASN 16 CO -0.38 0.19 -0.44 0.58 -1.29 0.00 0.00 177.43 176.09 3g3z h VAL 17 N 0.37 1.30 -0.46 2.57 2.07 0.02 0.10 116.25 122.22 3g3z h VAL 17 Ca 0.15 -1.63 0.01 0.00 0.82 0.00 0.00 66.70 66.05 3g3z h VAL 17 Cb 0.06 1.58 -0.02 0.00 -1.52 0.00 0.00 31.29 31.39 3g3z h VAL 17 CO -0.11 0.52 0.31 0.15 0.02 0.00 0.00 177.57 178.46 3g3z h PHE 18 N 0.51 0.58 -0.41 1.57 3.57 -0.64 -0.95 116.94 121.17 3g3z h PHE 18 Ca 0.03 0.01 -0.04 0.00 3.53 0.00 0.00 57.97 61.51 3g3z h PHE 18 Cb 0.98 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 39.50 3g3z h PHE 18 CO 0.04 0.36 0.08 -0.44 -2.23 0.00 0.00 178.31 176.12 3g3z h ASP 19 N 0.62 0.58 -0.30 0.41 3.45 -0.76 -1.76 116.42 118.66 3g3z h ASP 19 Ca 0.17 -0.09 -0.04 0.00 0.43 0.00 0.00 57.03 57.49 3g3z h ASP 19 Cb -0.07 -0.15 -0.01 0.00 -0.56 0.00 0.00 39.33 38.54 3g3z h ASP 19 CO -0.04 0.60 0.02 0.50 -1.57 0.00 0.00 179.24 178.74 3g3z h LYS 20 N 0.60 0.52 -0.29 3.56 3.64 -0.48 -1.09 116.57 123.04 3g3z h LYS 20 Ca 0.14 -0.16 0.03 0.00 -1.27 0.00 0.00 60.65 59.39 3g3z h LYS 20 Cb 0.27 -0.05 -0.03 0.00 -0.41 0.00 0.00 32.23 32.01 3g3z h LYS 20 CO 0.00 0.65 0.10 2.35 -2.27 0.00 0.00 179.45 180.28 3g3z h TRP 21 N 0.32 0.17 -0.84 1.91 7.01 -0.97 -1.50 115.95 122.06 3g3z h TRP 21 Ca 0.09 0.01 0.11 0.00 2.11 0.00 0.00 58.89 61.21 3g3z h TRP 21 Cb 0.41 -0.04 -0.08 0.00 -2.10 0.00 0.00 29.16 27.35 3g3z h TRP 21 CO 0.03 0.08 0.47 0.82 -2.79 0.00 0.00 178.44 177.05 3g3z h ILE 22 N 0.22 0.86 0.00 2.65 2.04 -1.19 -1.37 117.51 120.73 3g3z h ILE 22 Ca 0.13 -0.26 -0.05 0.00 1.00 0.00 0.00 64.86 65.68 3g3z h ILE 22 Cb 0.10 0.04 -0.01 0.00 -0.74 0.00 0.00 36.82 36.21 3g3z h ILE 22 CO -0.13 0.14 -0.25 1.23 0.00 0.00 0.00 178.15 179.14 3g3z h GLY 23 N 0.76 0.00 1.94 5.37 0.00 -0.43 -1.47 103.07 109.24 3g3z h GLY 23 Ca 0.42 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.75 3g3z h GLY 23 CO -0.28 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.20 3g3z n GLN 24 N -4.17 0.04 -0.11 4.80 1.13 -0.53 -0.97 117.38 117.57 3g3z n GLN 24 Ca -0.02 0.16 0.11 0.00 -1.94 0.00 0.00 57.00 55.31 3g3z n GLN 24 Cb 0.31 -1.50 0.33 0.00 0.11 0.00 0.00 30.24 29.48 3g3z n GLN 24 CO 0.00 0.00 0.00 1.04 -1.44 0.00 0.00 177.06 176.66 3g3z n GLN 25 N -1.47 1.91 -1.99 -1.09 1.13 -0.56 -4.92 117.38 110.38 3g3z n GLN 25 Ca 0.05 -1.37 -0.11 0.00 -1.94 0.00 0.00 57.00 53.63 3g3z n GLN 25 Cb 0.21 -1.42 -0.02 0.00 0.11 0.00 0.00 30.24 29.13 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 0.59 -3.86 -2.01 1.08 8.00 -0.14 -5.02 116.55 115.19 3g3z n ASP 26 Ca 0.17 0.07 -0.02 0.00 0.71 0.00 0.00 54.79 55.72 3g3z n ASP 26 Cb 0.39 -2.90 -0.00 0.00 -0.02 0.00 0.00 41.12 38.59 3g3z n ASP 26 CO 0.00 0.00 0.00 0.18 -0.39 0.00 0.00 177.20 176.99 3g3z n LEU 27 N -1.54 0.00 -4.28 0.64 4.77 -1.17 -5.04 117.00 110.38 3g3z n LEU 27 Ca -0.13 -0.16 -0.16 0.00 -0.03 0.00 0.00 56.01 55.53 3g3z n LEU 27 Cb 0.54 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.56 3g3z n LEU 27 CO 0.16 -0.02 -0.21 0.54 -1.33 0.00 0.00 177.39 176.52 3g3z s ASN 28 N -1.14 0.98 0.15 -1.43 2.20 -1.26 -3.92 114.94 110.52 3g3z s ASN 28 Ca 0.00 -1.49 -0.17 0.00 -0.94 0.00 0.00 52.86 50.27 3g3z s ASN 28 Cb 0.00 0.36 0.03 0.00 -2.00 0.00 0.00 41.25 39.64 3g3z s ASN 28 CO 0.00 -0.86 1.76 0.22 -2.94 0.00 0.00 177.10 175.28 3g3z h TYR 29 N 2.39 0.23 -0.52 1.54 5.03 -1.93 -0.06 116.97 123.64 3g3z h TYR 29 Ca -0.34 0.02 0.02 0.00 2.58 0.00 0.00 58.73 61.00 3g3z h TYR 29 Cb 1.25 -0.05 -0.03 0.00 1.55 0.00 0.00 36.73 39.44 3g3z h TYR 29 CO 0.75 0.11 0.32 -0.91 -1.32 0.00 0.00 178.16 177.10 3g3z h ASN 30 N 0.27 0.52 -0.39 -2.11 -0.26 -1.99 0.62 115.58 112.24 3g3z h ASN 30 Ca 0.14 -0.00 -0.08 0.00 -0.56 0.00 0.00 56.30 55.80 3g3z h ASN 30 Cb 0.10 -0.11 -0.01 0.00 -1.06 0.00 0.00 38.32 37.23 3g3z h ASN 30 CO -0.13 0.37 -0.06 -0.07 -1.06 0.00 0.00 177.43 176.48 3g3z h LEU 31 N 0.64 0.73 -0.47 1.61 3.38 -1.91 -3.10 115.31 116.18 3g3z h LEU 31 Ca 0.20 -0.34 0.04 0.00 0.09 0.00 0.00 57.88 57.87 3g3z h LEU 31 Cb -0.01 -0.20 -0.04 0.00 0.09 0.00 0.00 40.66 40.50 3g3z h LEU 31 CO -0.08 0.90 0.23 0.15 0.09 0.00 0.00 178.44 179.73 3g3z h PHE 32 N 0.55 0.41 -0.48 1.13 3.57 -0.72 -0.27 116.94 121.12 3g3z h PHE 32 Ca 0.10 0.02 0.09 0.00 3.53 0.00 0.00 57.97 61.72 3g3z h PHE 32 Cb 0.57 -0.12 -0.08 0.00 2.79 0.00 0.00 35.95 39.11 3g3z h PHE 32 CO 0.05 0.20 -0.02 0.00 -2.23 0.00 0.00 178.31 176.30 3g3z h ALA 33 N 1.27 0.43 0.49 2.41 0.00 -0.81 0.25 119.26 123.30 3g3z h ALA 33 Ca 0.21 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.25 3g3z h ALA 33 Cb 0.14 0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.19 3g3z h ALA 33 CO -0.16 -0.40 -0.24 0.28 0.00 0.00 0.00 179.25 178.74 3g3z h VAL 34 N 0.09 0.10 -0.34 0.00 2.07 -1.45 -2.96 116.25 113.76 3g3z h VAL 34 Ca 0.24 -0.53 0.01 0.00 0.82 0.00 0.00 66.70 67.24 3g3z h VAL 34 Cb 0.36 0.15 -0.02 0.00 -1.52 0.00 0.00 31.29 30.26 3g3z h VAL 34 CO -0.41 0.02 0.20 -0.07 0.02 0.00 0.00 177.57 177.33 3g3z h LEU 35 N -1.14 0.34 -0.32 2.57 3.38 -0.91 -1.60 115.31 117.63 3g3z h LEU 35 Ca -0.07 -0.00 -0.19 0.00 0.09 0.00 0.00 57.88 57.72 3g3z h LEU 35 Cb 0.54 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.22 3g3z h LEU 35 CO 0.11 0.24 -0.58 0.22 0.09 0.00 0.00 178.44 178.52 3g3z h TYR 36 N 0.42 1.01 -0.44 1.13 3.20 -0.66 -1.44 116.97 120.18 3g3z h TYR 36 Ca 0.13 -0.37 0.01 0.00 3.14 0.00 0.00 58.73 61.64 3g3z h TYR 36 Cb -0.01 -0.19 -0.03 0.00 1.54 0.00 0.00 36.73 38.05 3g3z h TYR 36 CO -0.07 1.19 0.28 1.15 -1.64 0.00 0.00 178.16 179.07 3g3z h THR 37 N 0.60 1.08 -0.15 1.81 2.02 -1.40 -2.27 112.91 114.60 3g3z h THR 37 Ca 0.00 -0.19 -0.13 0.00 0.77 0.00 0.00 66.41 66.86 3g3z h THR 37 Cb 1.18 0.46 -0.01 0.00 -1.74 0.00 0.00 68.15 68.05 3g3z h THR 37 CO 0.12 0.10 -0.47 -0.07 0.37 0.00 0.00 175.52 175.58 3g3z h LEU 38 N 0.56 0.40 -0.62 2.58 3.38 -1.21 0.71 115.31 121.12 3g3z h LEU 38 Ca 0.17 -0.19 -0.14 0.00 0.09 0.00 0.00 57.88 57.81 3g3z h LEU 38 Cb -0.03 -0.11 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 3g3z h LEU 38 CO -0.06 0.81 -0.67 0.00 0.09 0.00 0.00 178.44 178.61 3g3z h ALA 39 N 1.20 0.86 0.00 1.53 0.00 -1.14 -2.34 119.26 119.37 3g3z h ALA 39 Ca 0.02 -0.61 -0.02 0.00 0.00 0.00 0.00 54.91 54.30 3g3z h ALA 39 Cb 0.94 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.62 3g3z h ALA 39 CO 0.08 0.84 -1.68 0.25 0.00 0.00 0.00 179.25 178.74 3g3z n THR 40 N -3.69 0.07 0.15 0.00 -2.24 -0.87 -4.58 114.28 103.12 3g3z n THR 40 Ca -0.01 -0.35 0.04 0.00 -2.27 0.00 0.00 64.05 61.46 3g3z n THR 40 Cb 0.67 0.11 -0.05 0.00 -2.10 0.00 0.00 70.33 68.96 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 -2.04 2.11 0.00 -0.78 1.02 0.23 -5.08 120.64 116.11 3g3z n GLU 41 Ca -0.04 -0.04 0.00 0.00 -0.02 0.00 0.00 57.16 57.06 3g3z n GLU 41 Cb 0.42 -1.04 0.00 0.00 -0.02 0.00 0.00 31.44 30.80 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 1.67 -0.34 3.75 0.62 0.00 -0.88 -4.92 105.19 105.09 3g3z n GLY 42 Ca -0.00 -1.22 -0.41 0.00 0.00 0.00 0.00 46.02 44.38 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 6.53 0.05 1.61 0.01 -1.26 -4.32 113.70 112.31 3g3z s SER 43 Ca 0.00 2.79 -0.15 0.00 1.31 0.00 0.00 55.95 59.90 3g3z s SER 43 Cb 0.00 -2.63 0.02 0.00 0.21 0.00 0.00 66.02 63.63 3g3z s SER 43 CO 0.00 -0.80 0.34 -0.13 0.41 0.00 0.00 173.24 173.05 3g3z s ARG 44 N -0.32 0.85 0.55 12.44 1.81 -0.86 -4.90 118.95 128.52 3g3z s ARG 44 Ca 0.62 -0.47 -0.10 0.00 -1.72 0.00 0.00 55.73 54.06 3g3z s ARG 44 Cb -0.45 0.37 -0.04 0.00 -0.45 0.00 0.00 34.95 34.38 3g3z s ARG 44 CO 0.44 -0.28 0.93 0.95 -0.68 0.00 0.00 175.30 176.67 3g3z s THR 45 N -2.57 4.77 0.35 0.02 -4.23 -1.26 -0.73 115.64 111.98 3g3z s THR 45 Ca -0.05 0.67 0.08 0.00 -1.18 0.00 0.00 61.69 61.22 3g3z s THR 45 Cb -0.01 -3.85 0.32 0.00 1.34 0.00 0.00 72.50 70.30 3g3z s THR 45 CO -0.03 -0.98 1.86 1.56 -0.54 0.00 0.00 174.62 176.49 3g3z h GLN 46 N 0.05 0.69 -0.45 3.99 4.20 -1.78 -2.15 115.11 119.67 3g3z h GLN 46 Ca -0.45 -0.04 -0.00 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 28.80 3g3z h GLN 46 CO 0.62 0.46 0.27 -0.22 -0.67 0.00 0.00 178.83 179.29 3g3z h LYS 47 N 0.71 0.61 -0.38 1.46 3.64 -1.93 0.24 116.57 120.91 3g3z h LYS 47 Ca 0.46 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 3g3z h LYS 47 Cb 0.72 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.39 3g3z h LYS 47 CO -0.22 0.44 0.25 1.25 -2.27 0.00 0.00 179.45 178.91 3g3z h HIS 48 N 0.60 0.48 -0.23 1.91 2.76 -1.77 -0.46 115.15 118.45 3g3z h HIS 48 Ca 0.16 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.34 3g3z h HIS 48 Cb -0.01 -0.16 -0.01 0.00 1.55 0.00 0.00 27.41 28.77 3g3z h HIS 48 CO -0.03 0.31 0.15 0.82 -1.30 0.00 0.00 177.93 177.87 3g3z h ILE 49 N 0.52 1.07 -0.46 6.26 2.04 -1.34 -0.04 117.51 125.57 3g3z h ILE 49 Ca 0.14 -0.14 0.03 0.00 1.00 0.00 0.00 64.86 65.89 3g3z h ILE 49 Cb -0.06 0.75 -0.03 0.00 -0.74 0.00 0.00 36.82 36.74 3g3z h ILE 49 CO -0.03 0.06 0.26 1.23 0.00 0.00 0.00 178.15 179.67 3g3z h GLY 50 N 0.30 0.64 0.78 5.37 0.00 -0.68 -1.68 103.07 107.79 3g3z h GLY 50 Ca 0.08 -0.19 -0.04 0.00 0.00 0.00 0.00 47.33 47.18 3g3z h GLY 50 CO -0.02 0.15 -0.04 0.83 0.00 0.00 0.00 176.54 177.46 3g3z h GLU 51 N 0.52 0.33 -0.59 4.80 5.08 -1.00 0.27 114.58 124.00 3g3z h GLU 51 Ca 0.19 -0.13 0.08 0.00 -1.00 0.00 0.00 59.36 58.50 3g3z h GLU 51 Cb 0.04 -0.02 -0.07 0.00 0.50 0.00 0.00 28.75 29.21 3g3z h GLU 51 CO -0.10 0.60 0.23 -0.22 -1.00 0.00 0.00 179.01 178.53 3g3z h LYS 52 N 0.04 0.41 -0.47 2.33 3.64 -0.85 -2.91 116.57 118.76 3g3z h LYS 52 Ca 0.04 -0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.40 3g3z h LYS 52 Cb 0.48 -0.09 0.00 0.00 -0.41 0.00 0.00 32.23 32.21 3g3z h LYS 52 CO 0.02 0.27 0.00 0.91 -2.27 0.00 0.00 179.45 178.38 3g3z n TRP 53 N -4.97 0.61 -3.31 1.91 7.02 -0.65 -4.97 117.44 113.09 3g3z n TRP 53 Ca 0.08 -0.35 -0.17 0.00 -1.02 0.00 0.00 57.50 56.04 3g3z n TRP 53 Cb 0.25 -0.00 0.07 0.00 -2.42 0.00 0.00 31.31 29.20 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 1.36 -3.43 -4.52 -0.99 7.64 -0.31 -5.03 113.62 108.35 3g3z n SER 54 Ca 0.19 -0.51 -0.31 0.00 1.01 0.00 0.00 58.87 59.25 3g3z n SER 54 Cb 0.57 -4.44 -0.12 0.00 -1.01 0.00 0.00 64.21 59.21 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 -5.99 2.86 0.61 -3.43 1.43 0.82 -5.03 118.68 109.95 3g3z s LEU 55 Ca 0.19 -0.29 -0.17 0.00 -1.03 0.00 0.00 54.13 52.84 3g3z s LEU 55 Cb -0.08 -1.66 -0.03 0.00 0.03 0.00 0.00 46.19 44.45 3g3z s LEU 55 CO 0.63 0.27 1.10 -2.16 0.23 0.00 0.00 176.35 176.42 3g3z s PRO 56 N -1.38 3.09 0.30 1.29 0.04 -1.26 -4.50 135.00 132.58 3g3z s PRO 56 Ca 0.16 1.42 0.02 0.00 0.04 0.00 0.00 61.00 62.63 3g3z s PRO 56 Cb -0.11 -1.99 0.56 0.00 0.04 0.00 0.00 34.50 33.01 3g3z s PRO 56 CO 0.06 -1.03 1.89 0.87 0.04 0.00 0.00 177.00 178.83 3g3z h LYS 57 N 0.50 0.96 -0.18 4.56 1.57 -1.96 -2.39 116.57 119.63 3g3z h LYS 57 Ca -0.48 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.24 3g3z h LYS 57 Cb 1.25 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 33.33 3g3z h LYS 57 CO 0.56 0.64 0.11 1.96 -0.57 0.00 0.00 179.45 182.14 3g3z h GLN 58 N 0.99 0.25 -0.53 3.15 7.50 -1.99 -1.14 115.11 123.34 3g3z h GLN 58 Ca 0.42 -0.03 0.06 0.00 0.50 0.00 0.00 58.65 59.61 3g3z h GLN 58 Cb 0.32 -0.05 -0.05 0.00 0.05 0.00 0.00 27.48 27.74 3g3z h GLN 58 CO -0.18 0.22 0.24 1.15 -1.50 0.00 0.00 178.83 178.77 3g3z h THR 59 N 0.21 0.90 -0.11 -0.54 2.02 -1.82 -1.48 112.91 112.08 3g3z h THR 59 Ca 0.07 -0.16 -0.02 0.00 0.77 0.00 0.00 66.41 67.07 3g3z h THR 59 Cb 0.04 0.39 -0.00 0.00 -1.74 0.00 0.00 68.15 66.84 3g3z h THR 59 CO -0.01 0.08 -0.01 0.58 0.37 0.00 0.00 175.52 176.53 3g3z h VAL 60 N 0.46 1.27 -0.95 3.16 2.07 -1.18 -2.59 116.25 118.50 3g3z h VAL 60 Ca 0.25 -0.87 0.07 0.00 0.82 0.00 0.00 66.70 66.97 3g3z h VAL 60 Cb 0.21 1.63 -0.07 0.00 -1.52 0.00 0.00 31.29 31.54 3g3z h VAL 60 CO -0.20 0.25 0.60 0.28 0.02 0.00 0.00 177.57 178.51 3g3z h SER 61 N -0.09 0.95 -0.00 0.57 0.02 -1.05 -0.57 113.55 113.38 3g3z h SER 61 Ca 0.03 0.02 -0.00 0.00 -0.84 0.00 0.00 61.79 61.00 3g3z h SER 61 Cb 0.39 -0.18 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 3g3z h SER 61 CO 0.01 0.60 0.00 1.23 -1.14 0.00 0.00 176.83 177.53 3g3z h GLY 62 N 1.08 0.00 1.01 -3.77 0.00 -1.14 -0.46 103.07 99.80 3g3z h GLY 62 Ca 0.41 -0.00 -0.03 0.00 0.00 0.00 0.00 47.33 47.71 3g3z h GLY 62 CO -0.18 0.00 0.29 -2.08 0.00 0.00 0.00 176.54 174.57 3g3z h VAL 63 N -0.03 1.24 -0.93 4.60 2.07 -1.12 -2.55 116.25 119.52 3g3z h VAL 63 Ca 0.00 -0.73 -0.00 0.00 0.82 0.00 0.00 66.70 66.79 3g3z h VAL 63 Cb 0.04 0.44 -0.05 0.00 -1.52 0.00 0.00 31.29 30.20 3g3z h VAL 63 CO -0.00 0.29 0.57 0.00 0.02 0.00 0.00 177.57 178.45 3g3z h LYS 65 N 1.28 0.61 -0.32 0.00 3.64 -0.71 -0.86 116.57 120.22 3g3z h LYS 65 Ca 0.33 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.65 3g3z h LYS 65 Cb -0.06 -0.14 -0.01 0.00 -0.41 0.00 0.00 32.23 31.61 3g3z h LYS 65 CO -0.06 0.41 0.10 1.15 -2.27 0.00 0.00 179.45 178.77 3g3z h THR 66 N 0.63 1.21 -0.47 1.00 2.02 -1.05 -1.96 112.91 114.30 3g3z h THR 66 Ca 0.23 -0.67 -0.10 0.00 0.77 0.00 0.00 66.41 66.64 3g3z h THR 66 Cb 0.07 1.04 -0.02 0.00 -1.74 0.00 0.00 68.15 67.50 3g3z h THR 66 CO -0.12 0.23 -0.11 -0.07 0.37 0.00 0.00 175.52 175.82 3g3z h LEU 67 N 0.37 0.84 -0.51 2.58 3.38 -1.07 -1.79 115.31 119.11 3g3z h LEU 67 Ca 0.10 -0.26 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 3g3z h LEU 67 Cb 0.25 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.76 3g3z h LEU 67 CO -0.00 0.97 0.02 0.00 0.09 0.00 0.00 178.44 179.52 3g3z h ALA 68 N 1.11 0.68 0.00 1.53 0.00 -1.13 0.49 119.26 121.95 3g3z h ALA 68 Ca 0.13 -0.27 -0.01 0.00 0.00 0.00 0.00 54.91 54.75 3g3z h ALA 68 Cb 0.61 -0.19 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 3g3z h ALA 68 CO 0.04 0.48 -0.05 0.78 0.00 0.00 0.00 179.25 180.49 3g3z h GLY 69 N 0.75 0.00 -0.99 0.00 0.00 -1.12 0.14 103.07 101.85 3g3z h GLY 69 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.48 3g3z h GLY 69 CO 0.02 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.50 3g3z n GLN 70 N -3.57 1.83 -1.31 4.80 6.02 -0.69 -4.93 117.38 119.53 3g3z n GLN 70 Ca -0.02 -1.25 -0.11 0.00 -0.01 0.00 0.00 57.00 55.62 3g3z n GLN 70 Cb 0.16 -1.42 -0.05 0.00 1.02 0.00 0.00 30.24 29.96 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 1.18 1.18 0.10 1.08 0.00 0.49 -4.91 105.19 104.31 3g3z n GLY 71 Ca 0.17 -0.40 0.05 0.00 0.00 0.00 0.00 46.02 45.84 3g3z n GLY 71 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 3g3z n LEU 72 N -1.21 0.81 -4.38 0.99 4.77 0.12 -4.40 117.00 113.70 3g3z n LEU 72 Ca -0.11 0.34 -0.20 0.00 -0.03 0.00 0.00 56.01 56.01 3g3z n LEU 72 Cb 0.39 0.03 -0.10 0.00 -2.33 0.00 0.00 43.42 41.41 3g3z n LEU 72 CO 0.16 0.02 -0.22 0.27 -1.33 0.00 0.00 177.39 176.28 3g3z s ILE 73 N -3.11 0.59 -0.18 -0.08 -4.36 -1.21 -1.93 121.20 110.91 3g3z s ILE 73 Ca -0.02 -2.00 -0.26 0.00 -0.26 0.00 0.00 60.65 58.11 3g3z s ILE 73 Cb 0.09 -2.56 0.07 0.00 1.25 0.00 0.00 42.46 41.30 3g3z s ILE 73 CO 0.81 0.00 0.67 -1.83 0.24 0.00 0.00 174.94 174.83 3g3z s GLU 74 N -3.87 0.88 0.19 0.37 -1.05 0.66 -4.50 118.70 111.38 3g3z s GLU 74 Ca 0.34 0.70 -0.21 0.00 -0.15 0.00 0.00 54.97 55.65 3g3z s GLU 74 Cb 0.06 0.42 -0.08 0.00 -0.44 0.00 0.00 34.13 34.09 3g3z s GLU 74 CO 0.16 -0.17 0.72 -1.58 0.95 0.00 0.00 175.26 175.33 3g3z s TRP 75 N -0.18 3.75 0.82 4.83 0.51 -1.26 -0.54 118.94 126.87 3g3z s TRP 75 Ca -0.04 1.44 -0.11 0.00 -2.12 0.00 0.00 56.10 55.27 3g3z s TRP 75 Cb -0.03 -2.64 0.09 0.00 -0.81 0.00 0.00 33.47 30.07 3g3z s TRP 75 CO 0.04 0.42 1.09 1.14 -0.51 0.00 0.00 176.95 179.13 3g3z s GLN 76 N -1.62 1.85 0.07 4.98 -2.07 -0.76 -4.98 119.66 117.14 3g3z s GLN 76 Ca 0.39 0.84 -0.19 0.00 -1.82 0.00 0.00 55.36 54.58 3g3z s GLN 76 Cb -0.19 -1.88 -0.07 0.00 -1.09 0.00 0.00 33.01 29.79 3g3z s GLN 76 CO 0.22 -1.83 0.56 -1.21 -1.32 0.00 0.00 175.29 171.71 3g3z s GLU 77 N -5.01 4.18 0.03 9.60 0.41 -1.26 -4.81 118.70 121.84 3g3z s GLU 77 Ca 0.62 0.72 -0.29 0.00 -0.41 0.00 0.00 54.97 55.61 3g3z s GLU 77 Cb -0.16 -3.23 0.10 0.00 -1.78 0.00 0.00 34.13 29.06 3g3z s GLU 77 CO 0.56 0.64 1.17 0.20 -0.49 0.00 0.00 175.26 177.34 3g3z s GLY 78 N -1.12 -0.35 -0.49 -1.39 0.00 -1.26 -5.04 107.32 97.67 3g3z s GLY 78 Ca 0.29 0.56 -0.03 0.00 0.00 0.00 0.00 44.72 45.53 3g3z s GLY 78 CO 0.19 0.10 2.56 -2.21 0.00 0.00 0.00 173.10 173.74 3g3z n GLU 79 N -0.46 2.38 -4.18 2.90 4.07 -1.26 -4.85 120.64 119.23 3g3z n GLU 79 Ca -0.07 -2.42 -0.11 0.00 -0.06 0.00 0.00 57.16 54.49 3g3z n GLU 79 Cb 0.62 -2.10 -0.10 0.00 -0.06 0.00 0.00 31.44 29.81 3g3z n GLU 79 CO 0.00 0.00 0.00 -0.65 -0.06 0.00 0.00 177.13 176.42 3g3z s GLN 80 N -2.09 1.14 0.78 5.31 -0.21 -1.26 -5.15 119.66 118.18 3g3z s GLN 80 Ca 0.55 -1.56 -0.14 0.00 0.02 0.00 0.00 55.36 54.22 3g3z s GLN 80 Cb 0.38 0.27 0.07 0.00 1.00 0.00 0.00 33.01 34.72 3g3z s GLN 80 CO -0.21 -0.37 1.22 -0.51 -2.12 0.00 0.00 175.29 173.30 3g3z s ASP 81 N -3.13 3.81 0.43 5.90 1.01 -1.26 -4.91 116.67 118.51 3g3z s ASP 81 Ca 0.34 2.39 0.15 0.00 0.71 0.00 0.00 52.55 56.15 3g3z s ASP 81 Cb 0.07 -2.59 0.94 0.00 1.01 0.00 0.00 42.92 42.35 3g3z s ASP 81 CO 0.09 -2.53 1.94 0.08 0.21 0.00 0.00 175.17 174.96 3g3z h ARG 82 N -0.64 0.00 -0.22 8.23 0.11 -1.95 -3.05 114.38 116.86 3g3z h ARG 82 Ca -0.47 0.00 -0.04 0.00 0.10 0.00 0.00 59.98 59.57 3g3z h ARG 82 Cb 1.30 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 32.37 3g3z h ARG 82 CO 0.48 0.25 -0.05 0.07 0.10 0.00 0.00 179.97 180.81 3g3z h ARG 83 N 0.00 0.34 -0.64 0.08 0.11 -2.01 -0.91 114.38 111.35 3g3z h ARG 83 Ca -0.00 -0.07 0.00 0.00 0.10 0.00 0.00 59.98 60.01 3g3z h ARG 83 Cb 0.45 -0.05 0.00 0.00 1.11 0.00 0.00 29.97 31.48 3g3z h ARG 83 CO 0.03 0.42 0.00 0.36 0.10 0.00 0.00 179.97 180.88 3g3z n LYS 84 N -4.30 3.58 -4.20 0.08 0.00 -1.16 -4.03 118.16 108.13 3g3z n LYS 84 Ca 0.00 -2.56 -0.30 0.00 -0.00 0.00 0.00 58.31 55.45 3g3z n LYS 84 Cb 0.24 -1.88 -0.09 0.00 -0.00 0.00 0.00 35.03 33.29 3g3z n LYS 84 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 177.40 177.90 3g3z s ARG 85 N -1.93 2.23 0.20 -1.58 3.52 -0.35 -4.97 118.95 116.07 3g3z s ARG 85 Ca 0.46 -0.99 -0.31 0.00 -0.13 0.00 0.00 55.73 54.76 3g3z s ARG 85 Cb 0.30 -2.36 -0.11 0.00 -1.56 0.00 0.00 34.95 31.23 3g3z s ARG 85 CO 0.20 0.51 1.58 -0.51 -0.81 0.00 0.00 175.30 176.28 3g3z s LEU 86 N -2.28 4.37 -0.12 -0.88 1.43 -1.26 -4.46 118.68 115.48 3g3z s LEU 86 Ca 0.23 2.70 -0.06 0.00 -1.03 0.00 0.00 54.13 55.97 3g3z s LEU 86 Cb -0.11 -3.60 -0.04 0.00 0.03 0.00 0.00 46.19 42.47 3g3z s LEU 86 CO 0.15 -0.84 0.11 -0.22 0.23 0.00 0.00 176.35 175.78 3g3z s LEU 87 N 0.78 4.19 0.03 1.79 2.96 0.09 -1.83 118.68 126.68 3g3z s LEU 87 Ca 0.69 0.37 0.02 0.00 -0.22 0.00 0.00 54.13 54.99 3g3z s LEU 87 Cb -0.45 -2.02 -0.02 0.00 0.50 0.00 0.00 46.19 44.21 3g3z s LEU 87 CO 0.35 0.38 -0.08 -0.55 -1.32 0.00 0.00 176.35 175.13 3g3z s SER 88 N -0.84 0.90 0.16 3.68 0.15 0.30 -2.03 113.70 116.01 3g3z s SER 88 Ca 0.14 -0.38 -0.30 0.00 0.70 0.00 0.00 55.95 56.11 3g3z s SER 88 Cb -0.12 -0.02 -0.08 0.00 -1.71 0.00 0.00 66.02 64.09 3g3z s SER 88 CO 0.03 -0.07 1.21 -0.76 1.20 0.00 0.00 173.24 174.85 3g3z s LEU 89 N -1.00 4.43 1.08 3.45 1.02 -1.26 -0.24 118.68 126.15 3g3z s LEU 89 Ca -0.04 2.21 -0.17 0.00 0.02 0.00 0.00 54.13 56.15 3g3z s LEU 89 Cb -0.07 -3.60 0.23 0.00 0.02 0.00 0.00 46.19 42.77 3g3z s LEU 89 CO 0.00 -0.41 1.17 0.42 0.02 0.00 0.00 176.35 177.55 3g3z s THR 90 N 0.23 1.80 0.15 5.49 -4.23 -0.81 -4.80 115.64 113.46 3g3z s THR 90 Ca 0.55 0.00 -0.17 0.00 -1.18 0.00 0.00 61.69 60.89 3g3z s THR 90 Cb -0.32 -2.67 -0.01 0.00 1.34 0.00 0.00 72.50 70.84 3g3z s THR 90 CO 0.35 0.00 1.79 -0.33 -0.54 0.00 0.00 174.62 175.89 3g3z h GLU 91 N -2.10 0.40 -0.29 3.99 4.39 -1.88 -1.06 114.58 118.02 3g3z h GLU 91 Ca -0.46 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.18 3g3z h GLU 91 Cb 1.29 -0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.83 3g3z h GLU 91 CO 0.42 0.27 0.05 1.79 -1.16 0.00 0.00 179.01 180.37 3g3z h THR 92 N 0.41 1.15 -0.54 1.13 1.35 -1.90 -2.49 112.91 112.03 3g3z h THR 92 Ca 0.13 -0.54 -0.06 0.00 -0.55 0.00 0.00 66.41 65.39 3g3z h THR 92 Cb -0.01 0.88 -0.02 0.00 -1.73 0.00 0.00 68.15 67.27 3g3z h THR 92 CO -0.06 0.19 0.10 1.23 -0.25 0.00 0.00 175.52 176.73 3g3z h GLY 93 N 0.66 0.90 0.69 5.82 0.00 -1.47 -1.18 103.07 108.50 3g3z h GLY 93 Ca 0.10 -0.55 -0.04 0.00 0.00 0.00 0.00 47.33 46.84 3g3z h GLY 93 CO -0.00 0.51 -0.10 0.50 0.00 0.00 0.00 176.54 177.45 3g3z h LYS 94 N 0.80 0.27 -0.46 4.80 1.57 -0.77 0.29 116.57 123.07 3g3z h LYS 94 Ca 0.17 -0.14 0.04 0.00 -1.87 0.00 0.00 60.65 58.85 3g3z h LYS 94 Cb 0.34 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.62 3g3z h LYS 94 CO 0.00 0.67 0.22 0.00 -0.57 0.00 0.00 179.45 179.78 3g3z h ALA 95 N 0.60 0.58 -0.58 3.86 0.00 -1.53 -0.58 119.26 121.60 3g3z h ALA 95 Ca 0.02 0.02 0.07 0.00 0.00 0.00 0.00 54.91 55.02 3g3z h ALA 95 Cb 0.61 -0.06 -0.06 0.00 0.00 0.00 0.00 17.79 18.29 3g3z h ALA 95 CO 0.03 -0.13 0.26 -0.92 0.00 0.00 0.00 179.25 178.49 3g3z h TYR 96 N 0.45 0.47 0.00 0.00 5.03 -1.02 -3.00 116.97 118.90 3g3z h TYR 96 Ca 0.20 0.03 -0.05 0.00 2.58 0.00 0.00 58.73 61.49 3g3z h TYR 96 Cb 0.11 -0.12 -0.01 0.00 1.55 0.00 0.00 36.73 38.26 3g3z h TYR 96 CO -0.11 0.18 -0.24 0.00 -1.32 0.00 0.00 178.16 176.68 3g3z h ALA 97 N 1.36 0.87 -0.39 1.82 0.00 -0.07 -3.38 119.26 119.46 3g3z h ALA 97 Ca 0.28 -0.22 0.08 0.00 0.00 0.00 0.00 54.91 55.05 3g3z h ALA 97 Cb 0.27 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 17.93 3g3z h ALA 97 CO -0.23 0.30 -0.30 0.00 0.00 0.00 0.00 179.25 179.01 3g3z h ALA 98 N 1.76 -0.13 0.00 0.00 0.00 -0.96 -0.85 119.26 119.08 3g3z h ALA 98 Ca -0.00 0.11 -0.02 0.00 0.00 0.00 0.00 54.91 55.00 3g3z h ALA 98 Cb 1.10 0.66 -0.00 0.00 0.00 0.00 0.00 17.79 19.55 3g3z h ALA 98 CO 0.03 -0.70 -0.09 -1.35 0.00 0.00 0.00 179.25 177.14 3g3z h PRO 99 N -0.24 0.00 -0.14 0.00 0.11 -1.75 -1.70 132.00 128.28 3g3z h PRO 99 Ca 0.18 0.00 -0.06 0.00 0.11 0.00 0.00 66.00 66.23 3g3z h PRO 99 Cb 0.52 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 31.63 3g3z h PRO 99 CO -0.52 0.09 -0.13 1.25 -0.21 0.00 0.00 178.00 178.47 3g3z h LEU 100 N 0.00 0.35 -1.14 2.35 5.85 -1.42 -1.46 115.31 119.84 3g3z h LEU 100 Ca -0.00 -0.48 -0.04 0.00 0.84 0.00 0.00 57.88 58.21 3g3z h LEU 100 Cb 0.17 -0.10 -0.03 0.00 0.37 0.00 0.00 40.66 41.07 3g3z h LEU 100 CO 0.01 0.76 0.20 0.71 -0.34 0.00 0.00 178.44 179.78 3g3z h THR 101 N -0.05 1.21 -0.15 1.05 1.35 -0.95 -1.01 112.91 114.36 3g3z h THR 101 Ca 0.02 -0.68 -0.03 0.00 -0.55 0.00 0.00 66.41 65.18 3g3z h THR 101 Cb 0.66 0.58 -0.01 0.00 -1.73 0.00 0.00 68.15 67.65 3g3z h THR 101 CO 0.03 0.26 -0.00 -0.33 -0.25 0.00 0.00 175.52 175.23 3g3z h GLU 102 N 0.79 0.27 -0.36 4.72 5.08 -1.24 -0.10 114.58 123.74 3g3z h GLU 102 Ca 0.19 -0.09 -0.07 0.00 -1.00 0.00 0.00 59.36 58.39 3g3z h GLU 102 Cb 0.19 -0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.40 3g3z h GLU 102 CO -0.01 0.50 -0.06 0.66 -1.00 0.00 0.00 179.01 179.10 3g3z h SER 103 N 0.01 0.57 -0.47 1.42 4.64 -1.15 0.54 113.55 119.10 3g3z h SER 103 Ca 0.04 -0.13 -0.02 0.00 -0.47 0.00 0.00 61.79 61.20 3g3z h SER 103 Cb 0.38 -0.15 -0.02 0.00 -0.31 0.00 0.00 62.40 62.30 3g3z h SER 103 CO 0.01 0.68 0.20 0.00 -0.87 0.00 0.00 176.83 176.84 3g3z h ALA 104 N 1.39 0.61 -0.35 5.18 0.00 -1.03 0.17 119.26 125.23 3g3z h ALA 104 Ca 0.11 -0.14 -0.11 0.00 0.00 0.00 0.00 54.91 54.77 3g3z h ALA 104 Cb 0.44 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 18.03 3g3z h ALA 104 CO 0.02 0.20 -0.24 0.37 0.00 0.00 0.00 179.25 179.60 3g3z h GLN 105 N 0.62 0.69 -0.07 0.00 5.75 -0.70 0.09 115.11 121.49 3g3z h GLN 105 Ca 0.16 -0.28 -0.01 0.00 -0.15 0.00 0.00 58.65 58.37 3g3z h GLN 105 Cb 0.17 -0.03 -0.00 0.00 1.07 0.00 0.00 27.48 28.69 3g3z h GLN 105 CO -0.02 0.87 0.01 1.49 -2.65 0.00 0.00 178.83 178.54 3g3z h GLU 106 N 0.60 0.12 -0.66 1.69 4.81 -0.67 -1.41 114.58 119.07 3g3z h GLU 106 Ca 0.08 -0.03 0.06 0.00 -0.13 0.00 0.00 59.36 59.35 3g3z h GLU 106 Cb 0.73 -0.01 -0.06 0.00 0.63 0.00 0.00 28.75 30.04 3g3z h GLU 106 CO 0.06 0.33 0.35 0.35 -0.73 0.00 0.00 179.01 179.37 3g3z h PHE 107 N -0.12 0.65 -0.55 0.92 3.57 -0.54 -1.79 116.94 119.08 3g3z h PHE 107 Ca 0.02 0.03 -0.04 0.00 3.53 0.00 0.00 57.97 61.50 3g3z h PHE 107 Cb 0.27 -0.19 -0.02 0.00 2.79 0.00 0.00 35.95 38.79 3g3z h PHE 107 CO 0.01 0.29 0.18 1.03 -2.23 0.00 0.00 178.31 177.60 3g3z h SER 108 N 0.65 0.80 -0.02 0.41 0.87 -0.88 -1.15 113.55 114.22 3g3z h SER 108 Ca 0.30 -0.20 -0.10 0.00 -1.23 0.00 0.00 61.79 60.56 3g3z h SER 108 Cb 0.22 -0.21 -0.01 0.00 -0.44 0.00 0.00 62.40 61.96 3g3z h SER 108 CO -0.20 0.79 -0.29 0.44 -0.53 0.00 0.00 176.83 177.04 3g3z h ASP 109 N 0.77 0.48 0.24 6.23 3.32 -1.05 -2.17 116.42 124.23 3g3z h ASP 109 Ca 0.18 -0.17 -0.20 0.00 0.02 0.00 0.00 57.03 56.85 3g3z h ASP 109 Cb 0.27 -0.13 -0.00 0.00 0.22 0.00 0.00 39.33 39.69 3g3z h ASP 109 CO -0.01 0.75 -0.81 0.11 -1.72 0.00 0.00 179.24 177.56 3g3z h LYS 110 N 0.41 0.45 0.01 3.56 1.57 -0.98 -2.46 116.57 119.12 3g3z h LYS 110 Ca 0.05 -0.41 -0.05 0.00 -1.87 0.00 0.00 60.65 58.38 3g3z h LYS 110 Cb 0.72 0.10 0.00 0.00 0.08 0.00 0.00 32.23 33.13 3g3z h LYS 110 CO 0.06 1.05 -0.20 0.28 -0.57 0.00 0.00 179.45 180.07 3g3z h VAL 111 N 0.29 1.60 0.00 0.50 2.07 -1.19 -3.32 116.25 116.19 3g3z h VAL 111 Ca -0.05 -2.03 0.00 0.00 0.82 0.00 0.00 66.70 65.44 3g3z h VAL 111 Cb 1.42 2.92 0.00 0.00 -1.52 0.00 0.00 31.29 34.10 3g3z h VAL 111 CO 0.14 0.55 -0.28 0.49 0.02 0.00 0.00 177.57 178.49 3g3z n PHE 112 N -4.54 0.68 -0.26 1.57 3.72 -0.82 -1.85 117.46 115.97 3g3z n PHE 112 Ca -0.10 0.20 -0.03 0.00 -0.05 0.00 0.00 57.45 57.46 3g3z n PHE 112 Cb 0.50 -0.77 0.14 0.00 -0.94 0.00 0.00 39.48 38.41 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 2.57 1.20 0.13 4.37 0.00 -1.55 -0.30 119.26 125.68 3g3z h ALA 113 Ca 0.00 -0.15 -0.26 0.00 0.00 0.00 0.00 54.91 54.50 3g3z h ALA 113 Cb 0.72 -0.31 0.03 0.00 0.00 0.00 0.00 17.79 18.23 3g3z h ALA 113 CO 0.00 0.61 -1.09 1.15 0.00 0.00 0.00 179.25 179.92 3g3z h THR 114 N 1.09 1.36 -0.36 0.00 2.02 -1.57 -3.37 112.91 112.08 3g3z h THR 114 Ca 0.27 -2.47 -0.15 0.00 0.77 0.00 0.00 66.41 64.83 3g3z h THR 114 Cb 0.11 2.87 -0.01 0.00 -1.74 0.00 0.00 68.15 69.39 3g3z h THR 114 CO -0.03 0.73 -0.36 0.15 0.37 0.00 0.00 175.52 176.38 3g3z h PHE 115 N 0.04 1.06 0.00 3.16 3.57 -1.22 -3.50 116.94 120.05 3g3z h PHE 115 Ca -0.17 -0.32 0.00 0.00 3.53 0.00 0.00 57.97 61.01 3g3z h PHE 115 Cb 1.81 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 40.33 3g3z h PHE 115 CO 0.14 1.13 0.00 0.41 -2.23 0.00 0.00 178.31 177.76 3g3z n GLY 116 N 0.14 -0.41 0.10 2.40 0.00 -0.14 -4.61 105.19 102.66 3g3z n GLY 116 Ca -0.03 -1.40 -0.12 0.00 0.00 0.00 0.00 46.02 44.47 3g3z n GLY 116 CO 0.00 0.00 0.00 1.29 0.00 0.00 0.00 173.32 174.61 3g3z h ASP 117 N 0.00 0.30 -0.40 1.61 2.03 -1.95 -0.40 116.42 117.60 3g3z h ASP 117 Ca 0.00 -0.30 -0.05 0.00 -0.73 0.00 0.00 57.03 55.95 3g3z h ASP 117 Cb 0.00 -0.09 -0.02 0.00 -0.83 0.00 0.00 39.33 38.39 3g3z h ASP 117 CO 0.00 1.20 0.04 0.11 -1.03 0.00 0.00 179.24 179.56 3g3z h LYS 118 N 0.07 0.67 -0.24 4.15 1.79 -1.99 -0.88 116.57 120.14 3g3z h LYS 118 Ca -0.08 -0.19 -0.05 0.00 -2.18 0.00 0.00 60.65 58.14 3g3z h LYS 118 Cb 1.82 -0.07 -0.01 0.00 -1.58 0.00 0.00 32.23 32.38 3g3z h LYS 118 CO 0.17 0.74 -0.07 -0.09 -1.08 0.00 0.00 179.45 179.11 3g3z h ARG 119 N 0.52 0.38 -0.35 3.15 2.43 -1.81 -1.01 114.38 117.68 3g3z h ARG 119 Ca 0.12 -0.09 -0.06 0.00 -0.81 0.00 0.00 59.98 59.14 3g3z h ARG 119 Cb 0.40 -0.05 -0.01 0.00 -0.42 0.00 0.00 29.97 29.89 3g3z h ARG 119 CO 0.01 0.47 -0.02 1.15 -1.51 0.00 0.00 179.97 180.08 3g3z h THR 120 N 0.36 1.26 -0.95 0.20 2.02 -0.80 -0.82 112.91 114.18 3g3z h THR 120 Ca 0.08 -1.02 0.04 0.00 0.77 0.00 0.00 66.41 66.27 3g3z h THR 120 Cb 0.36 1.22 -0.06 0.00 -1.74 0.00 0.00 68.15 67.94 3g3z h THR 120 CO 0.02 0.34 0.62 0.74 0.37 0.00 0.00 175.52 177.60 3g3z h THR 121 N 0.44 1.16 -0.42 3.16 2.02 -0.86 -0.89 112.91 117.53 3g3z h THR 121 Ca 0.10 -0.41 -0.07 0.00 0.77 0.00 0.00 66.41 66.80 3g3z h THR 121 Cb 0.49 -0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 66.74 3g3z h THR 121 CO 0.02 0.22 -0.01 -0.09 0.37 0.00 0.00 175.52 176.03 3g3z h ARG 122 N 1.20 0.75 -0.61 6.66 2.43 -0.93 -1.41 114.38 122.47 3g3z h ARG 122 Ca 0.38 -0.24 -0.02 0.00 -0.81 0.00 0.00 59.98 59.29 3g3z h ARG 122 Cb -0.00 -0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.45 3g3z h ARG 122 CO -0.12 0.83 0.32 1.25 -1.51 0.00 0.00 179.97 180.73 3g3z h LEU 123 N 0.58 0.78 -0.50 3.80 5.85 -0.86 -1.64 115.31 123.32 3g3z h LEU 123 Ca 0.12 -0.11 -0.05 0.00 0.84 0.00 0.00 57.88 58.68 3g3z h LEU 123 Cb 0.50 -0.20 -0.02 0.00 0.37 0.00 0.00 40.66 41.31 3g3z h LEU 123 CO 0.02 0.67 0.12 -0.26 -0.34 0.00 0.00 178.44 178.65 3g3z h PHE 124 N 0.83 0.84 -0.61 1.25 0.04 -0.95 -0.98 116.94 117.35 3g3z h PHE 124 Ca 0.21 -0.10 -0.09 0.00 2.80 0.00 0.00 57.97 60.79 3g3z h PHE 124 Cb 0.08 -0.24 -0.02 0.00 2.20 0.00 0.00 35.95 37.97 3g3z h PHE 124 CO -0.01 0.75 0.01 0.00 -0.60 0.00 0.00 178.31 178.47 3g3z h ALA 125 N 0.99 0.83 -0.54 2.45 0.00 -1.17 0.16 119.26 121.98 3g3z h ALA 125 Ca 0.16 -0.31 -0.12 0.00 0.00 0.00 0.00 54.91 54.64 3g3z h ALA 125 Cb 0.34 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 3g3z h ALA 125 CO 0.00 0.66 -0.13 -0.44 0.00 0.00 0.00 179.25 179.34 3g3z h ASP 126 N 0.98 1.04 -0.41 0.00 3.32 -1.13 -1.10 116.42 119.13 3g3z h ASP 126 Ca 0.18 -0.36 -0.11 0.00 0.02 0.00 0.00 57.03 56.75 3g3z h ASP 126 Cb 0.55 -0.29 -0.01 0.00 0.22 0.00 0.00 39.33 39.80 3g3z h ASP 126 CO 0.03 1.16 -0.19 -0.07 -1.72 0.00 0.00 179.24 178.45 3g3z h LEU 127 N 0.91 0.87 -0.50 1.55 3.38 -1.01 -1.10 115.31 119.42 3g3z h LEU 127 Ca 0.14 -0.40 0.05 0.00 0.09 0.00 0.00 57.88 57.75 3g3z h LEU 127 Cb 0.70 -0.24 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 3g3z h LEU 127 CO 0.05 1.08 0.24 0.44 0.09 0.00 0.00 178.44 180.34 3g3z h ASP 128 N 0.66 0.33 -0.30 -0.43 3.32 -0.55 -0.81 116.42 118.64 3g3z h ASP 128 Ca 0.09 0.03 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 3g3z h ASP 128 Cb 0.75 -0.02 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 3g3z h ASP 128 CO 0.06 0.23 -0.08 0.00 -1.72 0.00 0.00 179.24 177.73 3g3z h ALA 129 N 1.28 0.41 -0.11 3.45 0.00 -1.07 -1.39 119.26 121.84 3g3z h ALA 129 Ca 0.23 -0.29 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 3g3z h ALA 129 Cb 0.16 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3g3z h ALA 129 CO -0.17 0.24 0.06 -0.07 0.00 0.00 0.00 179.25 179.31 3g3z h LEU 130 N 0.34 0.14 -0.60 0.00 3.38 -1.05 -1.48 115.31 116.04 3g3z h LEU 130 Ca 0.07 -0.08 0.06 0.00 0.09 0.00 0.00 57.88 58.02 3g3z h LEU 130 Cb 0.57 -0.04 -0.05 0.00 0.09 0.00 0.00 40.66 41.23 3g3z h LEU 130 CO 0.03 0.18 0.31 0.00 0.09 0.00 0.00 178.44 179.05 3g3z h ALA 131 N 0.97 0.79 -0.04 1.53 0.00 -1.10 -2.76 119.26 118.63 3g3z h ALA 131 Ca 0.04 0.03 0.04 0.00 0.00 0.00 0.00 54.91 55.01 3g3z h ALA 131 Cb 0.07 -0.08 -0.05 0.00 0.00 0.00 0.00 17.79 17.73 3g3z h ALA 131 CO -0.01 -0.04 -0.29 1.49 0.00 0.00 0.00 179.25 180.41 3g3z h GLU 132 N 0.58 -0.40 -0.90 0.00 4.57 -1.05 -0.46 114.58 116.92 3g3z h GLU 132 Ca 0.27 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.48 3g3z h GLU 132 Cb 0.19 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.87 3g3z h GLU 132 CO -0.19 -0.26 0.00 0.28 -1.18 0.00 0.00 179.01 177.66 3g3z n VAL 133 N -5.39 0.11 0.00 0.32 0.31 -0.57 -1.82 118.33 111.28 3g3z n VAL 133 Ca -0.04 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.29 3g3z n VAL 133 Cb 0.31 -0.34 0.00 0.00 -0.91 0.00 0.00 33.84 32.90 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 0.59 0.00 -0.26 5.55 -0.58 -0.18 -0.71 120.64 125.05 3g3z n GLU 135 Ca 0.00 0.00 -0.07 0.00 -0.42 0.00 0.00 57.16 56.67 3g3z n GLU 135 Cb 0.09 0.00 0.05 0.00 -0.57 0.00 0.00 31.44 31.01 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 1.16 -0.28 3.49 3.64 -1.61 -0.98 116.57 121.99 3g3z h LYS 136 Ca 0.00 -0.27 -0.13 0.00 -1.27 0.00 0.00 60.65 58.99 3g3z h LYS 136 Cb 0.00 -0.16 -0.00 0.00 -0.41 0.00 0.00 32.23 31.66 3g3z h LYS 136 CO 0.00 1.00 -0.33 1.15 -2.27 0.00 0.00 179.45 179.01 3g3z h THR 137 N 1.10 1.30 -0.80 1.00 2.02 -1.18 -0.97 112.91 115.38 3g3z h THR 137 Ca 0.23 -1.51 -0.02 0.00 0.77 0.00 0.00 66.41 65.89 3g3z h THR 137 Cb 0.35 1.62 -0.04 0.00 -1.74 0.00 0.00 68.15 68.35 3g3z h THR 137 CO -0.00 0.48 0.44 0.40 0.37 0.00 0.00 175.52 177.21 3g3z h ILE 138 N 0.45 1.24 -0.13 3.11 2.04 -1.78 0.17 117.51 122.61 3g3z h ILE 138 Ca 0.04 -0.60 0.00 0.00 1.00 0.00 0.00 64.86 65.31 3g3z h ILE 138 Cb 0.91 0.17 -0.01 0.00 -0.74 0.00 0.00 36.82 37.15 3g3z h ILE 138 CO 0.08 0.27 0.08 0.28 0.00 0.00 0.00 178.15 178.85 3g3z h SER 139 N 1.11 0.13 -0.63 1.72 0.02 -1.01 -2.91 113.55 111.98 3g3z h SER 139 Ca 0.28 -0.00 0.02 0.00 -0.84 0.00 0.00 61.79 61.25 3g3z h SER 139 Cb 0.03 -0.03 -0.04 0.00 0.14 0.00 0.00 62.40 62.51 3g3z h SER 139 CO -0.05 0.10 0.40 -0.33 -1.14 0.00 0.00 176.83 175.81 3g3z h GLU 140 N 0.16 0.76 0.00 3.45 5.08 -0.87 -2.65 114.58 120.52 3g3z h GLU 140 Ca 0.05 -0.05 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3g3z h GLU 140 Cb -0.01 -0.17 0.00 0.00 0.50 0.00 0.00 28.75 29.07 3g3z h GLU 140 CO -0.02 0.50 0.00 0.09 -1.00 0.00 0.00 179.01 178.59 3g3z n ASN 141 N -4.70 0.00 -0.32 1.42 3.02 0.02 -5.10 115.26 109.60 3g3z n ASN 141 Ca 0.06 0.45 0.15 0.00 -0.03 0.00 0.00 54.58 55.20 3g3z n ASN 141 Cb 0.06 -0.46 0.66 0.00 -0.61 0.00 0.00 39.78 39.43 3g3z n ASN 141 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93