#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ggz s THR 5 N 0.00 3.91 0.19 -5.08 -4.23 -1.26 -4.87 115.64 104.29 1ggz s THR 5 Ca 0.00 0.62 -0.13 0.00 -1.18 0.00 0.00 61.69 61.00 1ggz s THR 5 Cb 0.00 -3.60 0.10 0.00 1.34 0.00 0.00 72.50 70.34 1ggz s THR 5 CO 0.00 -0.81 1.73 -0.08 -0.54 0.00 0.00 174.62 174.92 1ggz h GLU 6 N -0.55 0.28 -0.35 3.99 4.57 -2.06 -0.90 114.58 119.56 1ggz h GLU 6 Ca -0.45 -0.02 0.07 0.00 -1.18 0.00 0.00 59.36 57.79 1ggz h GLU 6 Cb 1.23 -0.06 -0.07 0.00 -0.16 0.00 0.00 28.75 29.69 1ggz h GLU 6 CO 0.63 0.18 -0.12 1.49 -1.18 0.00 0.00 179.01 180.01 1ggz h GLU 7 N 0.28 -0.05 -0.32 1.92 4.57 -2.00 -0.23 114.58 118.77 1ggz h GLU 7 Ca 0.25 0.00 -0.02 0.00 -1.18 0.00 0.00 59.36 58.41 1ggz h GLU 7 Cb 0.31 0.01 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1ggz h GLU 7 CO -0.30 -0.03 0.11 1.96 -1.18 0.00 0.00 179.01 179.57 1ggz h GLN 8 N -0.05 0.49 -0.69 1.92 4.20 -1.75 -1.26 115.11 117.96 1ggz h GLN 8 Ca 0.18 -0.10 0.05 0.00 0.06 0.00 0.00 58.65 58.84 1ggz h GLN 8 Cb 0.32 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 27.98 1ggz h GLN 8 CO -0.39 0.52 0.45 0.28 -0.67 0.00 0.00 178.83 179.02 1ggz h VAL 9 N 0.36 1.05 -0.27 -0.54 2.07 -0.87 -0.52 116.25 117.52 1ggz h VAL 9 Ca 0.10 -0.26 -0.05 0.00 0.82 0.00 0.00 66.70 67.32 1ggz h VAL 9 Cb 0.23 0.23 -0.01 0.00 -1.52 0.00 0.00 31.29 30.22 1ggz h VAL 9 CO -0.01 0.14 -0.03 0.74 0.02 0.00 0.00 177.57 178.44 1ggz h THR 10 N 0.75 1.27 -0.85 2.57 2.02 -0.31 0.89 112.91 119.25 1ggz h THR 10 Ca 0.29 -0.98 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 1ggz h THR 10 Cb 0.19 1.38 -0.04 0.00 -1.74 0.00 0.00 68.15 67.94 1ggz h THR 10 CO -0.09 0.31 0.50 -0.08 0.37 0.00 0.00 175.52 176.54 1ggz h GLU 11 N 0.25 1.17 -0.26 6.66 4.57 -0.82 0.52 114.58 126.66 1ggz h GLU 11 Ca 0.07 -0.11 -0.14 0.00 -1.18 0.00 0.00 59.36 58.00 1ggz h GLU 11 Cb 0.47 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.81 1ggz h GLU 11 CO 0.02 0.83 -0.42 0.74 -1.18 0.00 0.00 179.01 179.00 1ggz h PHE 12 N 1.18 0.77 -0.61 0.92 0.04 -0.78 -2.03 116.94 116.41 1ggz h PHE 12 Ca 0.30 -0.23 -0.01 0.00 2.80 0.00 0.00 57.97 60.84 1ggz h PHE 12 Cb -0.03 -0.16 -0.03 0.00 2.20 0.00 0.00 35.95 37.93 1ggz h PHE 12 CO 0.00 0.95 0.36 -0.22 -0.60 0.00 0.00 178.31 178.80 1ggz h LYS 13 N 0.52 0.84 -0.44 1.51 3.64 -0.39 -0.05 116.57 122.21 1ggz h LYS 13 Ca 0.04 -0.09 0.02 0.00 -1.27 0.00 0.00 60.65 59.35 1ggz h LYS 13 Cb 0.94 -0.17 -0.03 0.00 -0.41 0.00 0.00 32.23 32.56 1ggz h LYS 13 CO 0.08 0.62 0.27 0.93 -2.27 0.00 0.00 179.45 179.08 1ggz h GLU 14 N 0.83 0.52 -0.41 1.90 5.08 -0.64 -0.79 114.58 121.07 1ggz h GLU 14 Ca 0.22 -0.03 0.01 0.00 -1.00 0.00 0.00 59.36 58.56 1ggz h GLU 14 Cb 0.01 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.11 1ggz h GLU 14 CO -0.04 0.34 0.26 0.00 -1.00 0.00 0.00 179.01 178.57 1ggz h ALA 15 N 1.19 0.52 -0.39 3.43 0.00 -1.18 -2.68 119.26 120.16 1ggz h ALA 15 Ca 0.17 -0.02 0.05 0.00 0.00 0.00 0.00 54.91 55.12 1ggz h ALA 15 Cb 0.00 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.60 1ggz h ALA 15 CO -0.08 -0.06 0.10 0.35 0.00 0.00 0.00 179.25 179.57 1ggz h PHE 16 N 0.52 0.17 -0.47 0.00 3.57 -0.71 -1.22 116.94 118.81 1ggz h PHE 16 Ca 0.16 0.02 0.14 0.00 3.53 0.00 0.00 57.97 61.82 1ggz h PHE 16 Cb -0.03 -0.02 -0.02 0.00 2.79 0.00 0.00 35.95 38.67 1ggz h PHE 16 CO -0.06 0.04 0.38 0.66 -2.23 0.00 0.00 178.31 177.11 1ggz h SER 17 N 0.24 0.00 1.06 0.41 4.64 -0.82 -0.42 113.55 118.66 1ggz h SER 17 Ca 0.18 0.00 -0.12 0.00 -0.47 0.00 0.00 61.79 61.38 1ggz h SER 17 Cb 0.20 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.27 1ggz h SER 17 CO -0.22 0.00 -0.59 -0.07 -0.87 0.00 0.00 176.83 175.08 1ggz h LEU 18 N 0.00 0.00 0.03 5.97 3.38 -1.03 -3.21 115.31 120.45 1ggz h LEU 18 Ca 0.22 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.93 1ggz h LEU 18 Cb 0.99 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.71 1ggz h LEU 18 CO -0.00 0.59 -1.43 -0.26 0.09 0.00 0.00 178.44 177.43 1ggz h PHE 19 N 0.00 0.11 -1.72 1.13 0.04 -1.00 -3.41 116.94 112.08 1ggz h PHE 19 Ca -0.01 -0.08 -0.73 0.00 2.80 0.00 0.00 57.97 59.95 1ggz h PHE 19 Cb 1.28 -0.00 -0.15 0.00 2.20 0.00 0.00 35.95 39.28 1ggz h PHE 19 CO 0.00 1.10 1.69 -3.47 -0.60 0.00 0.00 178.31 177.04 1ggz n ASP 20 N -3.25 5.10 -0.13 2.17 2.03 -0.41 -4.70 116.55 117.36 1ggz n ASP 20 Ca -0.11 -2.98 0.05 0.00 0.52 0.00 0.00 54.79 52.27 1ggz n ASP 20 Cb 1.01 -1.59 0.37 0.00 -0.72 0.00 0.00 41.12 40.19 1ggz n ASP 20 CO 0.00 0.00 0.00 0.11 -1.92 0.00 0.00 177.20 175.39 1ggz h LYS 21 N 6.94 0.69 -0.23 -0.67 1.79 -1.81 -0.22 116.57 123.06 1ggz h LYS 21 Ca 0.36 -0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.79 1ggz h LYS 21 Cb 0.82 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.32 1ggz h LYS 21 CO 1.37 0.46 0.00 -0.40 -1.08 0.00 0.00 179.45 179.80 1ggz n ASP 22 N -4.47 2.41 -0.75 0.86 5.68 -1.26 -4.96 116.55 114.07 1ggz n ASP 22 Ca 0.08 -1.83 -0.10 0.00 -0.50 0.00 0.00 54.79 52.44 1ggz n ASP 22 Cb 0.16 -0.15 -0.04 0.00 -1.14 0.00 0.00 41.12 39.95 1ggz n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggz n GLY 23 N 1.28 1.07 0.33 6.12 0.00 -0.09 -4.88 105.19 109.01 1ggz n GLY 23 Ca 0.17 -0.27 0.12 0.00 0.00 0.00 0.00 46.02 46.04 1ggz n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ggz n ASP 24 N -0.35 1.00 0.00 1.61 5.75 -1.26 -4.89 116.55 118.40 1ggz n ASP 24 Ca -0.10 -1.49 0.00 0.00 -0.01 0.00 0.00 54.79 53.20 1ggz n ASP 24 Cb 0.42 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.47 1ggz n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggz n GLY 25 N 1.04 0.61 3.05 6.12 0.00 -1.26 -5.05 105.19 109.70 1ggz n GLY 25 Ca 0.17 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.11 1ggz n GLY 25 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ggz s ILE 27 N -2.66 5.03 0.47 0.00 1.01 0.10 -4.80 121.20 120.36 1ggz s ILE 27 Ca -0.05 0.07 0.03 0.00 0.00 0.00 0.00 60.65 60.70 1ggz s ILE 27 Cb -0.01 -3.36 0.01 0.00 0.01 0.00 0.00 42.46 39.11 1ggz s ILE 27 CO -0.05 0.32 0.67 0.42 0.00 0.00 0.00 174.94 176.29 1ggz s THR 28 N 1.40 3.36 0.38 2.92 -4.23 -1.26 -1.35 115.64 116.87 1ggz s THR 28 Ca 0.07 -0.70 0.11 0.00 -1.18 0.00 0.00 61.69 59.98 1ggz s THR 28 Cb -0.15 -3.22 0.33 0.00 1.34 0.00 0.00 72.50 70.80 1ggz s THR 28 CO 0.07 -0.13 1.91 0.74 -0.54 0.00 0.00 174.62 176.66 1ggz h THR 29 N 0.37 0.87 -0.61 3.99 2.02 -1.93 0.11 112.91 117.73 1ggz h THR 29 Ca -0.44 -0.21 -0.09 0.00 0.77 0.00 0.00 66.41 66.44 1ggz h THR 29 Cb 1.27 0.21 -0.02 0.00 -1.74 0.00 0.00 68.15 67.87 1ggz h THR 29 CO 0.53 0.11 0.01 0.03 0.37 0.00 0.00 175.52 176.57 1ggz h ARG 30 N 0.60 1.06 -0.48 6.66 2.47 -1.99 0.09 114.38 122.80 1ggz h ARG 30 Ca 0.38 -0.33 -0.11 0.00 -1.26 0.00 0.00 59.98 58.67 1ggz h ARG 30 Cb 0.65 -0.10 -0.02 0.00 -1.65 0.00 0.00 29.97 28.85 1ggz h ARG 30 CO -0.15 1.03 -0.13 0.93 0.56 0.00 0.00 179.97 182.22 1ggz h GLU 31 N 0.97 0.89 -0.77 0.04 5.08 -1.69 0.25 114.58 119.35 1ggz h GLU 31 Ca 0.17 -0.32 -0.03 0.00 -1.00 0.00 0.00 59.36 58.18 1ggz h GLU 31 Cb 0.55 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.70 1ggz h GLU 31 CO 0.03 0.97 0.35 1.25 -1.00 0.00 0.00 179.01 180.60 1ggz h LEU 32 N 0.80 1.02 -0.47 1.33 5.85 -0.73 -0.22 115.31 122.89 1ggz h LEU 32 Ca 0.13 -0.13 0.02 0.00 0.84 0.00 0.00 57.88 58.74 1ggz h LEU 32 Cb 0.65 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 41.39 1ggz h LEU 32 CO 0.05 0.87 0.27 1.23 -0.34 0.00 0.00 178.44 180.52 1ggz h GLY 33 N 1.14 0.65 0.91 3.75 0.00 -0.47 0.33 103.07 109.39 1ggz h GLY 33 Ca 0.26 -0.20 -0.03 0.00 0.00 0.00 0.00 47.33 47.36 1ggz h GLY 33 CO -0.03 0.17 0.10 -0.84 0.00 0.00 0.00 176.54 175.94 1ggz h THR 34 N 0.55 1.21 -0.02 4.70 2.02 -0.41 -0.05 112.91 120.90 1ggz h THR 34 Ca 0.19 -0.67 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1ggz h THR 34 Cb 0.02 1.03 -0.00 0.00 -1.74 0.00 0.00 68.15 67.46 1ggz h THR 34 CO -0.09 0.23 -0.01 0.58 0.37 0.00 0.00 175.52 176.60 1ggz h VAL 35 N 0.37 0.97 -0.76 3.16 2.07 -0.72 -0.89 116.25 120.44 1ggz h VAL 35 Ca 0.10 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.60 1ggz h VAL 35 Cb 0.25 0.97 -0.04 0.00 -1.52 0.00 0.00 31.29 30.95 1ggz h VAL 35 CO -0.00 0.00 0.39 0.24 0.02 0.00 0.00 177.57 178.22 1ggz h MET 36 N -0.01 1.08 -0.26 1.57 2.86 -0.66 -1.45 114.93 118.07 1ggz h MET 36 Ca 0.01 -0.14 -0.08 0.00 -2.06 0.00 0.00 59.70 57.43 1ggz h MET 36 Cb 0.03 -0.20 -0.01 0.00 0.06 0.00 0.00 31.60 31.47 1ggz h MET 36 CO -0.02 0.83 -0.18 0.00 1.06 0.00 0.00 176.91 178.60 1ggz h ARG 37 N 1.07 0.45 0.00 1.72 3.08 -0.88 -0.07 114.38 119.75 1ggz h ARG 37 Ca 0.27 -0.14 0.00 0.00 0.07 0.00 0.00 59.98 60.17 1ggz h ARG 37 Cb 0.08 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.09 1ggz h ARG 37 CO -0.04 0.62 0.00 0.66 -1.07 0.00 0.00 179.97 180.14 1ggz h SER 38 N 0.41 0.00 -0.46 7.04 4.64 -0.11 -1.24 113.55 123.84 1ggz h SER 38 Ca 0.07 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.39 1ggz h SER 38 Cb 0.55 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.64 1ggz h SER 38 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1ggz n LEU 39 N -2.64 2.91 0.00 5.97 4.77 -0.53 -4.92 117.00 122.56 1ggz n LEU 39 Ca 0.00 -1.37 0.00 0.00 -0.03 0.00 0.00 56.01 54.61 1ggz n LEU 39 Cb 0.20 -0.30 0.00 0.00 -2.33 0.00 0.00 43.42 40.98 1ggz n LEU 39 CO 0.20 0.69 0.00 0.61 -1.33 0.00 0.00 177.39 177.56 1ggz n GLY 40 N 1.38 0.56 4.02 -0.72 0.00 -0.47 -5.07 105.19 104.91 1ggz n GLY 40 Ca 0.19 -0.08 -0.22 0.00 0.00 0.00 0.00 46.02 45.91 1ggz n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggz s GLN 41 N -0.27 1.93 -0.47 1.61 -1.52 -0.15 -5.00 119.66 115.79 1ggz s GLN 41 Ca 0.00 -1.46 0.06 0.00 -1.95 0.00 0.00 55.36 52.02 1ggz s GLN 41 Cb 0.00 -2.49 0.29 0.00 -0.22 0.00 0.00 33.01 30.58 1ggz s GLN 41 CO 0.00 -1.21 0.98 -1.71 -0.25 0.00 0.00 175.29 173.10 1ggz n ASN 42 N -2.56 -2.34 -4.78 5.90 5.15 -1.26 -4.02 115.26 111.34 1ggz n ASN 42 Ca 0.16 -3.47 -0.32 0.00 -0.60 0.00 0.00 54.58 50.35 1ggz n ASN 42 Cb 0.61 1.68 0.04 0.00 -0.53 0.00 0.00 39.78 41.59 1ggz n ASN 42 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1ggz s PRO 43 N 0.27 2.90 0.74 1.20 0.04 -1.26 -5.04 135.00 133.85 1ggz s PRO 43 Ca 0.28 1.26 -0.11 0.00 0.04 0.00 0.00 61.00 62.46 1ggz s PRO 43 Cb 0.26 -1.97 0.04 0.00 0.04 0.00 0.00 34.50 32.87 1ggz s PRO 43 CO -0.14 -1.16 1.10 0.95 0.04 0.00 0.00 177.00 177.79 1ggz s THR 44 N -2.52 3.32 0.22 1.26 -4.23 -1.26 -4.87 115.64 107.56 1ggz s THR 44 Ca 0.64 0.43 -0.08 0.00 -1.18 0.00 0.00 61.69 61.50 1ggz s THR 44 Cb -0.18 -3.33 0.17 0.00 1.34 0.00 0.00 72.50 70.50 1ggz s THR 44 CO 0.43 -0.56 1.81 -0.08 -0.54 0.00 0.00 174.62 175.68 1ggz h GLU 45 N -0.82 1.20 -0.86 3.99 4.81 -1.99 -0.48 114.58 120.42 1ggz h GLU 45 Ca -0.46 -0.19 0.04 0.00 -0.13 0.00 0.00 59.36 58.62 1ggz h GLU 45 Cb 1.26 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 30.38 1ggz h GLU 45 CO 0.62 0.93 0.55 0.00 -0.73 0.00 0.00 179.01 180.39 1ggz h ALA 46 N 1.20 1.14 -0.48 2.92 0.00 -1.99 -0.79 119.26 121.26 1ggz h ALA 46 Ca 0.28 -0.03 -0.06 0.00 0.00 0.00 0.00 54.91 55.10 1ggz h ALA 46 Cb 0.14 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.62 1ggz h ALA 46 CO -0.03 0.39 0.08 0.93 0.00 0.00 0.00 179.25 180.62 1ggz h GLU 47 N 1.07 0.79 -0.89 0.00 5.08 -1.78 -1.49 114.58 117.36 1ggz h GLU 47 Ca 0.35 -0.21 -0.02 0.00 -1.00 0.00 0.00 59.36 58.48 1ggz h GLU 47 Cb 0.02 -0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.14 1ggz h GLU 47 CO -0.12 0.79 0.48 -0.07 -1.00 0.00 0.00 179.01 179.10 1ggz h LEU 48 N 0.66 1.11 -0.61 1.33 3.38 -0.75 -0.27 115.31 120.15 1ggz h LEU 48 Ca 0.15 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1ggz h LEU 48 Cb 0.38 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1ggz h LEU 48 CO 0.01 0.89 0.23 -0.09 0.09 0.00 0.00 178.44 179.57 1ggz h ARG 49 N 1.24 0.92 -0.77 1.13 2.43 -0.94 -0.69 114.38 117.70 1ggz h ARG 49 Ca 0.31 -0.18 -0.03 0.00 -0.81 0.00 0.00 59.98 59.28 1ggz h ARG 49 Cb 0.03 -0.15 -0.04 0.00 -0.42 0.00 0.00 29.97 29.40 1ggz h ARG 49 CO -0.05 0.79 0.37 -0.44 -1.51 0.00 0.00 179.97 179.14 1ggz h ASP 50 N 0.86 1.01 -0.31 -3.80 3.32 -0.90 0.24 116.42 116.83 1ggz h ASP 50 Ca 0.20 -0.13 -0.04 0.00 0.02 0.00 0.00 57.03 57.07 1ggz h ASP 50 Cb 0.23 -0.26 -0.01 0.00 0.22 0.00 0.00 39.33 39.51 1ggz h ASP 50 CO -0.01 0.86 0.02 0.24 -1.72 0.00 0.00 179.24 178.62 1ggz h MET 51 N 1.09 0.54 -0.58 3.56 2.86 -0.70 -2.55 114.93 119.14 1ggz h MET 51 Ca 0.27 -0.16 -0.07 0.00 -2.06 0.00 0.00 59.70 57.68 1ggz h MET 51 Cb 0.12 -0.05 -0.02 0.00 0.06 0.00 0.00 31.60 31.70 1ggz h MET 51 CO -0.03 0.66 0.11 0.52 1.06 0.00 0.00 176.91 179.22 1ggz h MET 52 N 0.35 0.96 -0.37 1.72 2.86 -0.96 -2.82 114.93 116.66 1ggz h MET 52 Ca 0.09 -0.25 0.10 0.00 -2.06 0.00 0.00 59.70 57.57 1ggz h MET 52 Cb 0.40 -0.12 -0.02 0.00 0.06 0.00 0.00 31.60 31.93 1ggz h MET 52 CO 0.01 0.91 0.27 0.66 1.06 0.00 0.00 176.91 179.81 1ggz h SER 53 N 0.86 0.06 1.17 1.22 4.64 -0.61 0.52 113.55 121.42 1ggz h SER 53 Ca 0.18 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.49 1ggz h SER 53 Cb 0.40 -0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1ggz h SER 53 CO 0.01 0.04 -0.04 -0.33 -0.87 0.00 0.00 176.83 175.64 1ggz h GLU 54 N 0.07 0.00 0.00 4.77 5.08 -1.19 -3.24 114.58 120.06 1ggz h GLU 54 Ca 0.18 0.00 -0.03 0.00 -1.00 0.00 0.00 59.36 58.51 1ggz h GLU 54 Cb 0.61 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.86 1ggz h GLU 54 CO -0.01 0.04 -1.53 -0.89 -1.00 0.00 0.00 179.01 175.61 1ggz n ILE 55 N -3.14 0.10 -2.50 3.13 5.41 -0.51 -4.87 119.36 116.98 1ggz n ILE 55 Ca 0.01 -0.28 -0.40 0.00 1.00 0.00 0.00 62.75 63.08 1ggz n ILE 55 Cb 0.37 0.10 -0.02 0.00 -0.71 0.00 0.00 39.64 39.38 1ggz n ILE 55 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 176.55 175.93 1ggz s ASP 56 N -3.42 6.45 0.19 4.38 2.15 0.06 -4.79 116.67 121.69 1ggz s ASP 56 Ca -0.04 -1.86 -0.12 0.00 0.43 0.00 0.00 52.55 50.96 1ggz s ASP 56 Cb 0.06 -2.58 0.11 0.00 -0.30 0.00 0.00 42.92 40.22 1ggz s ASP 56 CO 0.45 -1.56 1.86 -0.09 -0.17 0.00 0.00 175.17 175.67 1ggz h ARG 57 N 8.91 0.83 -0.01 4.34 9.65 -1.88 -1.94 114.38 134.29 1ggz h ARG 57 Ca 0.30 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1ggz h ARG 57 Cb 0.94 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 29.33 1ggz h ARG 57 CO 1.41 0.55 -0.08 -0.40 2.80 0.00 0.00 179.97 184.26 1ggz n ASP 58 N -4.65 0.70 -0.78 -3.80 5.75 -1.26 -4.92 116.55 107.60 1ggz n ASP 58 Ca 0.05 -0.92 -0.09 0.00 -0.01 0.00 0.00 54.79 53.81 1ggz n ASP 58 Cb 0.02 -0.02 -0.03 0.00 -1.03 0.00 0.00 41.12 40.06 1ggz n ASP 58 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggz n GLY 59 N 1.21 0.93 0.28 6.12 0.00 -0.73 -4.89 105.19 108.10 1ggz n GLY 59 Ca 0.17 -0.59 0.14 0.00 0.00 0.00 0.00 46.02 45.75 1ggz n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ggz n ASN 60 N 0.44 0.92 0.00 1.61 6.94 -1.26 -4.91 115.26 118.99 1ggz n ASN 60 Ca -0.10 -1.15 0.00 0.00 -0.02 0.00 0.00 54.58 53.32 1ggz n ASN 60 Cb 0.35 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.77 1ggz n ASN 60 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ggz n GLY 61 N 1.17 1.02 3.37 4.83 0.00 -1.26 -5.05 105.19 109.28 1ggz n GLY 61 Ca 0.18 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 46.02 1ggz n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1ggz s THR 62 N -2.26 0.84 -0.22 2.61 -4.23 -1.26 -4.58 115.64 106.54 1ggz s THR 62 Ca 0.00 -2.00 -0.01 0.00 -1.18 0.00 0.00 61.69 58.50 1ggz s THR 62 Cb 0.00 -2.70 0.02 0.00 1.34 0.00 0.00 72.50 71.16 1ggz s THR 62 CO 0.00 -0.01 -0.11 -0.69 -0.54 0.00 0.00 174.62 173.27 1ggz s VAL 63 N -3.55 2.67 0.67 2.29 1.01 -0.45 -4.77 120.40 118.27 1ggz s VAL 63 Ca 0.37 -0.88 0.04 0.00 0.00 0.00 0.00 61.98 61.51 1ggz s VAL 63 Cb 0.08 -2.25 0.12 0.00 0.00 0.00 0.00 36.38 34.33 1ggz s VAL 63 CO 0.14 0.38 0.93 1.51 0.00 0.00 0.00 175.10 178.06 1ggz s ASP 64 N 1.34 4.59 0.18 3.32 1.47 -1.26 0.00 116.67 126.31 1ggz s ASP 64 Ca 0.03 -0.60 -0.10 0.00 1.18 0.00 0.00 52.55 53.06 1ggz s ASP 64 Cb -0.15 0.19 0.07 0.00 -0.34 0.00 0.00 42.92 42.70 1ggz s ASP 64 CO -0.07 -1.70 1.67 0.15 0.68 0.00 0.00 175.17 175.89 1ggz h PHE 65 N -0.28 1.10 -0.83 2.11 3.57 -2.00 -0.35 116.94 120.25 1ggz h PHE 65 Ca -0.33 -0.16 0.05 0.00 3.53 0.00 0.00 57.97 61.07 1ggz h PHE 65 Cb 1.27 -0.30 -0.06 0.00 2.79 0.00 0.00 35.95 39.66 1ggz h PHE 65 CO 0.02 0.94 0.52 -1.35 -2.23 0.00 0.00 178.31 176.21 1ggz h PRO 66 N 0.93 0.94 -0.66 6.41 0.11 -1.95 0.36 132.00 138.14 1ggz h PRO 66 Ca 0.19 -0.06 -0.08 0.00 0.11 0.00 0.00 66.00 66.15 1ggz h PRO 66 Cb 0.44 -0.21 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 1ggz h PRO 66 CO 0.01 0.62 0.08 0.93 -0.21 0.00 0.00 178.00 179.44 1ggz h GLU 67 N 0.97 1.11 -0.45 1.05 5.08 -1.78 -0.06 114.58 120.51 1ggz h GLU 67 Ca 0.35 -0.31 -0.04 0.00 -1.00 0.00 0.00 59.36 58.36 1ggz h GLU 67 Cb 0.12 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.23 1ggz h GLU 67 CO -0.15 1.03 0.11 0.35 -1.00 0.00 0.00 179.01 179.35 1ggz h PHE 68 N 1.04 0.75 -0.64 4.33 3.04 -0.19 -1.69 116.94 123.58 1ggz h PHE 68 Ca 0.20 -0.09 -0.05 0.00 3.98 0.00 0.00 57.97 62.00 1ggz h PHE 68 Cb 0.47 -0.21 -0.03 0.00 2.56 0.00 0.00 35.95 38.74 1ggz h PHE 68 CO 0.04 0.70 0.18 1.25 -2.02 0.00 0.00 178.31 178.45 1ggz h LEU 69 N 0.59 0.91 -0.80 0.59 5.85 -0.16 -1.69 115.31 120.61 1ggz h LEU 69 Ca 0.14 -0.17 -0.02 0.00 0.84 0.00 0.00 57.88 58.67 1ggz h LEU 69 Cb 0.32 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 41.08 1ggz h LEU 69 CO 0.00 0.87 0.41 1.23 -0.34 0.00 0.00 178.44 180.61 1ggz h GLY 70 N 1.04 1.22 0.97 3.75 0.00 -0.62 -0.12 103.07 109.30 1ggz h GLY 70 Ca 0.21 -0.58 -0.01 0.00 0.00 0.00 0.00 47.33 46.95 1ggz h GLY 70 CO -0.00 0.56 0.20 1.98 0.00 0.00 0.00 176.54 179.27 1ggz h MET 71 N 1.12 0.50 -0.47 4.80 1.85 -0.83 -0.82 114.93 121.08 1ggz h MET 71 Ca 0.28 -0.06 -0.11 0.00 -0.61 0.00 0.00 59.70 59.20 1ggz h MET 71 Cb 0.08 -0.10 -0.01 0.00 0.43 0.00 0.00 31.60 32.00 1ggz h MET 71 CO -0.04 0.40 -0.14 0.52 -0.40 0.00 0.00 176.91 177.26 1ggz h MET 72 N 0.45 0.92 -0.78 0.39 2.07 -0.87 -1.05 114.93 116.07 1ggz h MET 72 Ca 0.13 -0.36 -0.03 0.00 -2.07 0.00 0.00 59.70 57.37 1ggz h MET 72 Cb 0.05 -0.05 -0.04 0.00 -1.87 0.00 0.00 31.60 29.70 1ggz h MET 72 CO -0.02 1.02 0.38 0.00 1.07 0.00 0.00 176.91 179.36 1ggz h ALA 73 N 0.87 1.00 -0.04 6.32 0.00 -0.87 0.38 119.26 126.92 1ggz h ALA 73 Ca 0.12 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.73 1ggz h ALA 73 Cb 0.69 -0.31 -0.01 0.00 0.00 0.00 0.00 17.79 18.16 1ggz h ALA 73 CO 0.05 0.55 -0.63 0.00 0.00 0.00 0.00 179.25 179.23 1ggz h ARG 74 N 1.09 0.15 -0.18 0.00 3.08 -0.82 -0.17 114.38 117.53 1ggz h ARG 74 Ca 0.27 -0.11 -0.05 0.00 0.07 0.00 0.00 59.98 60.15 1ggz h ARG 74 Cb 0.10 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.17 1ggz h ARG 74 CO -0.04 0.73 -0.10 0.87 -1.07 0.00 0.00 179.97 180.37 1ggz h LYS 75 N 0.11 0.39 -0.89 0.04 1.57 -0.61 -0.71 116.57 116.47 1ggz h LYS 75 Ca -0.01 -0.17 0.00 0.00 -1.87 0.00 0.00 60.65 58.60 1ggz h LYS 75 Cb 1.13 -0.01 -0.04 0.00 0.08 0.00 0.00 32.23 33.39 1ggz h LYS 75 CO 0.09 0.69 0.56 0.52 -0.57 0.00 0.00 179.45 180.74 1ggz h MET 76 N 0.07 1.19 -0.55 3.15 2.86 -0.68 -1.47 114.93 119.51 1ggz h MET 76 Ca 0.04 -0.09 -0.12 0.00 -2.06 0.00 0.00 59.70 57.47 1ggz h MET 76 Cb 0.58 -0.26 -0.02 0.00 0.06 0.00 0.00 31.60 31.97 1ggz h MET 76 CO 0.03 0.82 -0.11 -0.22 1.06 0.00 0.00 176.91 178.49 1ggz h LYS 77 N 1.22 1.04 -0.49 1.72 1.63 -0.75 0.39 116.57 121.33 1ggz h LYS 77 Ca 0.32 -0.39 -0.01 0.00 -0.85 0.00 0.00 60.65 59.73 1ggz h LYS 77 Cb -0.08 -0.06 -0.02 0.00 -0.60 0.00 0.00 32.23 31.46 1ggz h LYS 77 CO -0.06 1.08 0.27 -0.44 -3.45 0.00 0.00 179.45 176.84 1ggz h ASP 78 N 0.92 0.61 -0.43 4.20 5.19 -0.76 0.77 116.42 126.92 1ggz h ASP 78 Ca 0.14 -0.09 -0.00 0.00 -0.62 0.00 0.00 57.03 56.46 1ggz h ASP 78 Cb 0.68 -0.16 -0.02 0.00 0.18 0.00 0.00 39.33 40.02 1ggz h ASP 78 CO 0.05 0.53 0.25 0.74 -3.12 0.00 0.00 179.24 177.69 1ggz h THR 79 N 0.65 1.14 -0.62 0.35 2.02 -1.04 -1.81 112.91 113.59 1ggz h THR 79 Ca 0.17 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 66.97 1ggz h THR 79 Cb 0.05 0.58 -0.03 0.00 -1.74 0.00 0.00 68.15 67.02 1ggz h THR 79 CO -0.03 0.14 0.16 0.44 0.37 0.00 0.00 175.52 176.61 1ggz h ASP 80 N 0.56 0.90 -0.46 4.18 3.32 -0.36 -1.23 116.42 123.34 1ggz h ASP 80 Ca 0.15 -0.17 -0.11 0.00 0.02 0.00 0.00 57.03 56.92 1ggz h ASP 80 Cb 0.01 -0.24 -0.02 0.00 0.22 0.00 0.00 39.33 39.30 1ggz h ASP 80 CO -0.03 0.87 -0.12 0.78 -1.72 0.00 0.00 179.24 179.02 1ggz h ASN 81 N 0.93 0.94 -0.47 6.45 2.35 -0.58 0.17 115.58 125.36 1ggz h ASN 81 Ca 0.20 -0.30 -0.05 0.00 -0.55 0.00 0.00 56.30 55.59 1ggz h ASN 81 Cb 0.32 -0.25 -0.02 0.00 0.05 0.00 0.00 38.32 38.41 1ggz h ASN 81 CO -0.00 1.06 0.09 -0.33 -1.65 0.00 0.00 177.43 176.60 1ggz h GLU 82 N 0.84 0.77 -0.56 0.81 5.08 -0.99 -1.28 114.58 119.25 1ggz h GLU 82 Ca 0.13 -0.20 -0.10 0.00 -1.00 0.00 0.00 59.36 58.19 1ggz h GLU 82 Cb 0.66 -0.09 -0.02 0.00 0.50 0.00 0.00 28.75 29.80 1ggz h GLU 82 CO 0.05 0.77 -0.06 1.49 -1.00 0.00 0.00 179.01 180.26 1ggz h GLU 83 N 0.65 1.01 -0.74 2.33 4.57 -0.89 -1.70 114.58 119.81 1ggz h GLU 83 Ca 0.15 -0.34 -0.05 0.00 -1.18 0.00 0.00 59.36 57.94 1ggz h GLU 83 Cb 0.37 -0.08 -0.03 0.00 -0.16 0.00 0.00 28.75 28.84 1ggz h GLU 83 CO 0.01 1.02 0.28 0.93 -1.18 0.00 0.00 179.01 180.07 1ggz h GLU 84 N 0.91 1.11 -0.42 1.92 5.08 -0.39 0.21 114.58 123.01 1ggz h GLU 84 Ca 0.15 -0.21 -0.14 0.00 -1.00 0.00 0.00 59.36 58.16 1ggz h GLU 84 Cb 0.61 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 29.67 1ggz h GLU 84 CO 0.04 0.92 -0.28 0.82 -1.00 0.00 0.00 179.01 179.51 1ggz h ILE 85 N 1.07 1.27 -0.28 3.13 2.04 -1.04 -0.21 117.51 123.49 1ggz h ILE 85 Ca 0.24 -1.44 -0.04 0.00 1.00 0.00 0.00 64.86 64.63 1ggz h ILE 85 Cb 0.23 1.25 -0.01 0.00 -0.74 0.00 0.00 36.82 37.55 1ggz h ILE 85 CO -0.02 0.49 0.04 -0.09 0.00 0.00 0.00 178.15 178.57 1ggz h ARG 86 N 0.77 0.47 -0.85 2.37 2.43 -0.90 -0.51 114.38 118.16 1ggz h ARG 86 Ca 0.09 -0.13 -0.03 0.00 -0.81 0.00 0.00 59.98 59.09 1ggz h ARG 86 Cb 0.85 -0.05 -0.04 0.00 -0.42 0.00 0.00 29.97 30.31 1ggz h ARG 86 CO 0.07 0.59 0.41 0.93 -1.51 0.00 0.00 179.97 180.47 1ggz h GLU 87 N 0.28 1.23 -0.56 0.20 5.08 -0.46 -1.13 114.58 119.22 1ggz h GLU 87 Ca 0.08 -0.18 -0.00 0.00 -1.00 0.00 0.00 59.36 58.26 1ggz h GLU 87 Cb 0.36 -0.22 -0.03 0.00 0.50 0.00 0.00 28.75 29.36 1ggz h GLU 87 CO 0.01 0.94 0.35 0.00 -1.00 0.00 0.00 179.01 179.31 1ggz h ALA 88 N 1.23 0.72 -0.82 3.43 0.00 -0.56 -0.12 119.26 123.14 1ggz h ALA 88 Ca 0.29 -0.06 0.04 0.00 0.00 0.00 0.00 54.91 55.18 1ggz h ALA 88 Cb 0.12 -0.23 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1ggz h ALA 88 CO -0.04 0.19 0.52 0.35 0.00 0.00 0.00 179.25 180.27 1ggz h PHE 89 N 0.76 0.98 -0.27 0.00 3.57 -0.65 0.75 116.94 122.08 1ggz h PHE 89 Ca 0.20 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.64 1ggz h PHE 89 Cb -0.04 -0.32 -0.01 0.00 2.79 0.00 0.00 35.95 38.37 1ggz h PHE 89 CO -0.03 0.55 -0.21 0.00 -2.23 0.00 0.00 178.31 176.39 1ggz h ARG 90 N 1.00 0.50 -0.33 1.11 2.47 -0.64 0.57 114.38 119.07 1ggz h ARG 90 Ca 0.33 -0.18 -0.14 0.00 -1.26 0.00 0.00 59.98 58.74 1ggz h ARG 90 Cb 0.04 -0.04 -0.00 0.00 -1.65 0.00 0.00 29.97 28.32 1ggz h ARG 90 CO -0.13 0.69 -0.34 0.28 0.56 0.00 0.00 179.97 181.03 1ggz h VAL 91 N 0.45 1.29 -0.41 2.04 2.07 -0.34 -3.06 116.25 118.29 1ggz h VAL 91 Ca 0.07 -1.51 -0.06 0.00 0.82 0.00 0.00 66.70 66.02 1ggz h VAL 91 Cb 0.62 1.51 -0.02 0.00 -1.52 0.00 0.00 31.29 31.88 1ggz h VAL 91 CO 0.04 0.49 -0.01 -0.26 0.02 0.00 0.00 177.57 177.86 1ggz h PHE 92 N 0.58 0.69 -0.85 1.57 -1.00 -0.34 -3.33 116.94 114.26 1ggz h PHE 92 Ca 0.05 -0.08 -0.71 0.00 2.81 0.00 0.00 57.97 60.04 1ggz h PHE 92 Cb 0.92 -0.19 -0.09 0.00 3.61 0.00 0.00 35.95 40.20 1ggz h PHE 92 CO 0.07 0.66 2.35 -3.47 -1.61 0.00 0.00 178.31 176.31 1ggz n ASP 93 N -4.24 4.67 -0.12 2.17 2.03 0.14 -4.67 116.55 116.53 1ggz n ASP 93 Ca 0.02 -2.93 0.02 0.00 0.52 0.00 0.00 54.79 52.42 1ggz n ASP 93 Cb 0.28 -1.66 0.33 0.00 -0.72 0.00 0.00 41.12 39.34 1ggz n ASP 93 CO 0.00 0.00 0.00 0.50 -1.92 0.00 0.00 177.20 175.78 1ggz h LYS 94 N 6.79 0.78 -0.24 -0.67 3.64 -1.76 -0.46 116.57 124.65 1ggz h LYS 94 Ca 0.46 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.79 1ggz h LYS 94 Cb 0.77 -0.18 0.00 0.00 -0.41 0.00 0.00 32.23 32.41 1ggz h LYS 94 CO 1.58 0.52 0.00 -0.40 -2.27 0.00 0.00 179.45 178.88 1ggz n ASP 95 N -4.45 2.01 -1.01 4.20 5.75 -1.26 -4.93 116.55 116.87 1ggz n ASP 95 Ca 0.06 -1.80 -0.13 0.00 -0.01 0.00 0.00 54.79 52.91 1ggz n ASP 95 Cb 0.04 -0.15 -0.06 0.00 -1.03 0.00 0.00 41.12 39.93 1ggz n ASP 95 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggz n GLY 96 N 1.19 1.37 0.13 6.12 0.00 -0.18 -4.90 105.19 108.91 1ggz n GLY 96 Ca 0.16 -0.30 0.15 0.00 0.00 0.00 0.00 46.02 46.04 1ggz n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ggz n ASN 97 N -0.40 0.41 0.00 1.61 6.94 -1.26 -4.90 115.26 117.66 1ggz n ASN 97 Ca -0.13 -0.97 0.00 0.00 -0.02 0.00 0.00 54.58 53.46 1ggz n ASN 97 Cb 0.47 -0.03 0.00 0.00 -2.36 0.00 0.00 39.78 37.85 1ggz n ASN 97 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 1ggz n GLY 98 N 1.11 0.69 2.97 4.83 0.00 -1.26 -5.05 105.19 108.47 1ggz n GLY 98 Ca 0.21 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 46.06 1ggz n GLY 98 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1ggz s PHE 99 N -2.47 0.51 -0.31 1.61 0.40 -1.26 -4.26 117.98 112.20 1ggz s PHE 99 Ca 0.00 -0.10 -0.17 0.00 -0.60 0.00 0.00 56.93 56.07 1ggz s PHE 99 Cb 0.00 -0.33 -0.02 0.00 0.51 0.00 0.00 43.02 43.18 1ggz s PHE 99 CO 0.00 -0.01 0.44 0.08 0.70 0.00 0.00 175.22 176.43 1ggz s VAL 100 N -0.12 5.10 0.61 -0.44 1.01 0.77 -4.80 120.40 122.52 1ggz s VAL 100 Ca 0.02 0.45 -0.05 0.00 0.00 0.00 0.00 61.98 62.39 1ggz s VAL 100 Cb -0.02 -3.83 0.02 0.00 0.00 0.00 0.00 36.38 32.55 1ggz s VAL 100 CO -0.00 -0.03 0.91 -0.94 0.00 0.00 0.00 175.10 175.04 1ggz s SER 101 N 1.68 5.42 0.22 3.32 1.04 -1.26 -0.94 113.70 123.19 1ggz s SER 101 Ca 0.17 0.61 -0.08 0.00 0.48 0.00 0.00 55.95 57.13 1ggz s SER 101 Cb -0.16 -1.54 0.26 0.00 0.10 0.00 0.00 66.02 64.68 1ggz s SER 101 CO 0.11 -1.17 1.85 0.00 0.98 0.00 0.00 173.24 175.01 1ggz h ALA 102 N -0.23 1.04 -0.62 5.32 0.00 -1.95 0.50 119.26 123.32 1ggz h ALA 102 Ca -0.45 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.42 1ggz h ALA 102 Cb 1.27 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1ggz h ALA 102 CO 0.60 0.24 0.29 0.00 0.00 0.00 0.00 179.25 180.39 1ggz h ALA 103 N 1.35 0.80 -0.79 0.00 0.00 -1.98 -0.13 119.26 118.51 1ggz h ALA 103 Ca 0.33 -0.14 -0.00 0.00 0.00 0.00 0.00 54.91 55.09 1ggz h ALA 103 Cb 0.09 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.60 1ggz h ALA 103 CO -0.14 0.37 0.48 0.93 0.00 0.00 0.00 179.25 180.89 1ggz h GLU 104 N 0.85 1.07 -0.56 0.00 5.08 -1.77 -1.31 114.58 117.94 1ggz h GLU 104 Ca 0.21 -0.09 -0.09 0.00 -1.00 0.00 0.00 59.36 58.39 1ggz h GLU 104 Cb 0.13 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.13 1ggz h GLU 104 CO -0.03 0.75 0.00 1.25 -1.00 0.00 0.00 179.01 179.99 1ggz h LEU 105 N 1.08 0.96 -0.63 1.33 5.85 -0.48 -0.51 115.31 122.91 1ggz h LEU 105 Ca 0.28 -0.31 -0.01 0.00 0.84 0.00 0.00 57.88 58.69 1ggz h LEU 105 Cb -0.05 -0.26 -0.03 0.00 0.37 0.00 0.00 40.66 40.70 1ggz h LEU 105 CO -0.05 1.03 0.36 -0.09 -0.34 0.00 0.00 178.44 179.35 1ggz h ARG 106 N 0.86 0.87 -0.34 1.25 2.43 -0.79 -1.05 114.38 117.61 1ggz h ARG 106 Ca 0.16 -0.09 -0.05 0.00 -0.81 0.00 0.00 59.98 59.18 1ggz h ARG 106 Cb 0.54 -0.18 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1ggz h ARG 106 CO 0.03 0.64 0.00 1.25 -1.51 0.00 0.00 179.97 180.38 1ggz h HIS 107 N 0.86 0.65 0.00 2.20 2.76 -1.01 -2.65 115.15 117.96 1ggz h HIS 107 Ca 0.22 -0.11 -0.11 0.00 -2.20 0.00 0.00 60.37 58.17 1ggz h HIS 107 Cb 0.01 -0.17 -0.02 0.00 1.55 0.00 0.00 27.41 28.78 1ggz h HIS 107 CO -0.01 0.71 -0.55 -0.24 -1.30 0.00 0.00 177.93 176.54 1ggz h VAL 108 N 0.41 1.36 -0.30 5.26 3.04 -0.92 -2.27 116.25 122.83 1ggz h VAL 108 Ca 0.10 -1.89 -0.04 0.00 -1.01 0.00 0.00 66.70 63.85 1ggz h VAL 108 Cb 0.45 2.03 -0.02 0.00 -2.01 0.00 0.00 31.29 31.74 1ggz h VAL 108 CO 0.02 0.54 0.00 0.24 -1.01 0.00 0.00 177.57 177.36 1ggz h MET 109 N 0.00 0.45 -0.54 4.17 2.07 -1.04 -1.28 114.93 118.75 1ggz h MET 109 Ca -0.01 -0.09 -0.02 0.00 -2.07 0.00 0.00 59.70 57.52 1ggz h MET 109 Cb 0.99 -0.07 -0.03 0.00 -1.87 0.00 0.00 31.60 30.62 1ggz h MET 109 CO 0.07 0.47 0.26 1.79 1.07 0.00 0.00 176.91 180.57 1ggz h THR 110 N 0.43 1.18 0.00 2.22 1.35 -1.06 0.11 112.91 117.15 1ggz h THR 110 Ca 0.10 -0.52 -0.04 0.00 -0.55 0.00 0.00 66.41 65.39 1ggz h THR 110 Cb 0.28 0.49 -0.01 0.00 -1.73 0.00 0.00 68.15 67.19 1ggz h THR 110 CO 0.01 0.22 -0.19 0.03 -0.25 0.00 0.00 175.52 175.34 1ggz h ARG 111 N 0.77 0.00 -0.10 4.72 3.08 -1.09 -1.26 114.38 120.49 1ggz h ARG 111 Ca 0.19 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.24 1ggz h ARG 111 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1ggz h ARG 111 CO -0.02 0.19 0.00 1.28 -1.07 0.00 0.00 179.97 180.34 1ggz n LEU 112 N -3.61 1.60 0.00 3.04 7.99 -0.68 -4.94 117.00 120.41 1ggz n LEU 112 Ca -0.01 -0.61 0.00 0.00 -0.01 0.00 0.00 56.01 55.38 1ggz n LEU 112 Cb 0.32 -0.06 0.00 0.00 -0.11 0.00 0.00 43.42 43.57 1ggz n LEU 112 CO 0.32 0.31 0.00 0.61 -1.51 0.00 0.00 177.39 177.12 1ggz n GLY 113 N 1.15 0.78 3.27 -0.72 0.00 -0.48 -5.06 105.19 104.14 1ggz n GLY 113 Ca 0.17 -0.09 -0.35 0.00 0.00 0.00 0.00 46.02 45.76 1ggz n GLY 113 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1ggz s GLU 114 N -0.63 3.19 -0.47 1.61 2.02 0.29 -4.98 118.70 119.72 1ggz s GLU 114 Ca 0.00 -0.75 -0.16 0.00 0.02 0.00 0.00 54.97 54.08 1ggz s GLU 114 Cb 0.00 -2.99 0.07 0.00 0.10 0.00 0.00 34.13 31.31 1ggz s GLU 114 CO 0.00 -0.27 0.42 0.15 0.02 0.00 0.00 175.26 175.59 1ggz s LYS 115 N 1.43 3.00 0.10 1.61 1.02 -1.26 -2.58 119.74 123.05 1ggz s LYS 115 Ca 0.04 -1.27 0.06 0.00 0.02 0.00 0.00 55.97 54.82 1ggz s LYS 115 Cb -0.15 -4.12 -0.04 0.00 -0.52 0.00 0.00 37.83 33.00 1ggz s LYS 115 CO -0.04 -1.04 -0.07 -0.51 -0.92 0.00 0.00 175.35 172.77 1ggz s LEU 116 N 1.78 3.17 0.74 3.17 1.43 -1.26 -5.11 118.68 122.60 1ggz s LEU 116 Ca 0.06 -0.32 -0.11 0.00 -1.03 0.00 0.00 54.13 52.72 1ggz s LEU 116 Cb -0.23 -1.94 0.03 0.00 0.03 0.00 0.00 46.19 44.08 1ggz s LEU 116 CO 0.08 0.18 1.09 -0.94 0.23 0.00 0.00 176.35 176.98 1ggz s SER 117 N -2.22 5.05 0.34 2.29 1.04 -1.26 -4.86 113.70 114.07 1ggz s SER 117 Ca 0.23 1.32 0.02 0.00 0.48 0.00 0.00 55.95 58.00 1ggz s SER 117 Cb -0.11 -2.12 0.59 0.00 0.10 0.00 0.00 66.02 64.47 1ggz s SER 117 CO 0.15 -1.62 1.95 0.44 0.98 0.00 0.00 173.24 175.14 1ggz h ASP 118 N -0.84 0.69 -0.40 7.02 3.32 -2.00 -0.85 116.42 123.36 1ggz h ASP 118 Ca -0.46 -0.06 -0.08 0.00 0.02 0.00 0.00 57.03 56.46 1ggz h ASP 118 Cb 1.25 -0.17 -0.01 0.00 0.22 0.00 0.00 39.33 40.61 1ggz h ASP 118 CO 0.60 0.58 -0.05 -0.08 -1.72 0.00 0.00 179.24 178.57 1ggz h GLU 119 N 0.78 0.74 -0.87 3.56 4.81 -1.99 -0.26 114.58 121.34 1ggz h GLU 119 Ca 0.20 -0.26 -0.02 0.00 -0.13 0.00 0.00 59.36 59.15 1ggz h GLU 119 Cb 0.06 -0.05 -0.04 0.00 0.63 0.00 0.00 28.75 29.34 1ggz h GLU 119 CO -0.03 0.85 0.48 0.93 -0.73 0.00 0.00 179.01 180.51 1ggz h GLU 120 N 0.55 1.20 -0.39 1.92 5.08 -1.81 -0.74 114.58 120.40 1ggz h GLU 120 Ca 0.11 -0.14 -0.10 0.00 -1.00 0.00 0.00 59.36 58.23 1ggz h GLU 120 Cb 0.55 -0.24 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1ggz h GLU 120 CO 0.03 0.88 -0.14 0.28 -1.00 0.00 0.00 179.01 179.06 1ggz h VAL 121 N 1.21 1.28 -0.74 3.13 2.07 -0.93 -1.74 116.25 120.53 1ggz h VAL 121 Ca 0.31 -1.25 -0.00 0.00 0.82 0.00 0.00 66.70 66.57 1ggz h VAL 121 Cb 0.02 1.27 -0.04 0.00 -1.52 0.00 0.00 31.29 31.02 1ggz h VAL 121 CO -0.05 0.42 0.45 0.44 0.02 0.00 0.00 177.57 178.85 1ggz h ASP 122 N 0.59 0.88 -0.79 0.57 3.32 -0.76 -0.51 116.42 119.72 1ggz h ASP 122 Ca 0.09 -0.04 -0.02 0.00 0.02 0.00 0.00 57.03 57.08 1ggz h ASP 122 Cb 0.68 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 39.97 1ggz h ASP 122 CO 0.05 0.67 0.43 -0.33 -1.72 0.00 0.00 179.24 178.34 1ggz h GLU 123 N 1.01 1.11 -0.34 3.56 5.08 -0.86 0.76 114.58 124.91 1ggz h GLU 123 Ca 0.27 -0.13 -0.01 0.00 -1.00 0.00 0.00 59.36 58.48 1ggz h GLU 123 Cb -0.05 -0.22 -0.02 0.00 0.50 0.00 0.00 28.75 28.97 1ggz h GLU 123 CO -0.05 0.82 0.16 0.52 -1.00 0.00 0.00 179.01 179.46 1ggz h MET 124 N 1.10 0.49 0.01 2.33 2.86 -0.35 -0.66 114.93 120.70 1ggz h MET 124 Ca 0.28 -0.07 0.02 0.00 -2.06 0.00 0.00 59.70 57.86 1ggz h MET 124 Cb 0.04 -0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.59 1ggz h MET 124 CO -0.04 0.44 -0.10 0.82 1.06 0.00 0.00 176.91 179.09 1ggz h ILE 125 N 0.41 0.75 -0.42 -1.22 1.08 -0.79 -1.95 117.51 115.37 1ggz h ILE 125 Ca 0.12 0.00 -0.08 0.00 -0.39 0.00 0.00 64.86 64.51 1ggz h ILE 125 Cb 0.12 0.75 -0.02 0.00 -3.07 0.00 0.00 36.82 34.60 1ggz h ILE 125 CO -0.01 0.00 -0.05 0.03 -0.69 0.00 0.00 178.15 177.42 1ggz h ARG 126 N -0.17 0.71 -0.58 2.37 3.08 -0.52 0.14 114.38 119.40 1ggz h ARG 126 Ca 0.03 -0.20 -0.01 0.00 0.07 0.00 0.00 59.98 59.87 1ggz h ARG 126 Cb 0.22 -0.08 -0.03 0.00 0.08 0.00 0.00 29.97 30.16 1ggz h ARG 126 CO -0.09 0.76 0.30 0.00 -1.07 0.00 0.00 179.97 179.87 1ggz h ALA 127 N 1.28 1.44 0.00 0.04 0.00 -0.97 -3.13 119.26 117.92 1ggz h ALA 127 Ca 0.12 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.93 1ggz h ALA 127 Cb 0.49 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 18.04 1ggz h ALA 127 CO 0.03 0.46 -1.16 0.00 0.00 0.00 0.00 179.25 178.58 1ggz n ALA 128 N -2.45 3.49 -2.66 0.00 0.00 -0.75 -4.78 120.51 113.36 1ggz n ALA 128 Ca 0.05 -0.44 -0.43 0.00 0.00 0.00 0.00 53.44 52.62 1ggz n ALA 128 Cb 0.11 -0.92 -0.00 0.00 0.00 0.00 0.00 19.45 18.64 1ggz n ALA 128 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1ggz s ASP 129 N -3.91 6.87 0.00 0.00 2.15 0.41 -4.82 116.67 117.37 1ggz s ASP 129 Ca 0.03 -2.51 0.30 0.00 0.43 0.00 0.00 52.55 50.80 1ggz s ASP 129 Cb 0.14 -2.54 1.57 0.00 -0.30 0.00 0.00 42.92 41.80 1ggz s ASP 129 CO 0.83 -1.09 2.06 0.35 -0.17 0.00 0.00 175.17 177.14 1ggz n THR 130 N 6.02 0.00 0.41 1.71 -2.24 -1.26 -2.87 114.28 116.04 1ggz n THR 130 Ca 0.45 -0.03 0.05 0.00 -2.27 0.00 0.00 64.05 62.25 1ggz n THR 130 Cb 0.46 -0.34 0.05 0.00 -2.10 0.00 0.00 70.33 68.40 1ggz n THR 130 CO 0.00 0.00 0.00 -0.90 -0.57 0.00 0.00 175.07 173.60 1ggz n ASP 131 N -1.00 1.91 -0.24 3.42 5.68 -1.26 -5.01 116.55 120.06 1ggz n ASP 131 Ca 0.18 -1.46 -0.03 0.00 -0.50 0.00 0.00 54.79 52.98 1ggz n ASP 131 Cb 0.21 -0.01 -0.01 0.00 -1.14 0.00 0.00 41.12 40.17 1ggz n ASP 131 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1ggz n GLY 132 N 0.58 0.62 0.38 6.12 0.00 -1.14 -4.90 105.19 106.84 1ggz n GLY 132 Ca 0.06 -0.57 0.14 0.00 0.00 0.00 0.00 46.02 45.66 1ggz n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1ggz n ASP 133 N 0.75 1.18 0.00 1.61 5.75 -1.26 -4.92 116.55 119.66 1ggz n ASP 133 Ca -0.03 -1.40 0.00 0.00 -0.01 0.00 0.00 54.79 53.35 1ggz n ASP 133 Cb 0.14 -0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.23 1ggz n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ggz n GLY 134 N 1.13 0.79 3.32 6.12 0.00 -1.26 -5.03 105.19 110.26 1ggz n GLY 134 Ca 0.20 0.00 -0.17 0.00 0.00 0.00 0.00 46.02 46.05 1ggz n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1ggz s GLN 135 N -0.07 1.28 -0.29 1.61 -0.21 -1.26 -4.57 119.66 116.16 1ggz s GLN 135 Ca 0.00 -1.61 -0.09 0.00 0.02 0.00 0.00 55.36 53.68 1ggz s GLN 135 Cb 0.00 -0.76 -0.02 0.00 1.00 0.00 0.00 33.01 33.24 1ggz s GLN 135 CO 0.00 0.01 0.13 0.08 -2.12 0.00 0.00 175.29 173.39 1ggz s VAL 136 N -3.28 4.56 0.73 1.09 1.01 -0.11 -4.73 120.40 119.66 1ggz s VAL 136 Ca 0.24 -0.29 -0.04 0.00 0.00 0.00 0.00 61.98 61.89 1ggz s VAL 136 Cb 0.04 -3.25 0.11 0.00 0.00 0.00 0.00 36.38 33.28 1ggz s VAL 136 CO 0.06 0.17 1.02 0.54 0.00 0.00 0.00 175.10 176.90 1ggz s ASN 137 N 1.62 4.38 0.13 3.32 6.03 -1.26 -0.16 114.94 129.00 1ggz s ASN 137 Ca 0.05 -0.01 -0.18 0.00 -1.03 0.00 0.00 52.86 51.69 1ggz s ASN 137 Cb -0.16 -0.45 -0.04 0.00 -3.03 0.00 0.00 41.25 37.57 1ggz s ASN 137 CO 0.06 -1.85 1.77 0.22 -2.03 0.00 0.00 177.10 175.27 1ggz h TYR 138 N -0.65 0.38 -0.23 1.54 3.20 -1.99 -0.19 116.97 119.02 1ggz h TYR 138 Ca -0.40 0.00 -0.08 0.00 3.14 0.00 0.00 58.73 61.39 1ggz h TYR 138 Cb 1.28 -0.12 -0.01 0.00 1.54 0.00 0.00 36.73 39.41 1ggz h TYR 138 CO -0.15 0.27 -0.19 1.05 -1.64 0.00 0.00 178.16 177.50 1ggz h GLU 139 N 0.38 0.41 -0.71 1.82 -0.00 -1.96 0.32 114.58 114.83 1ggz h GLU 139 Ca 0.11 -0.13 -0.06 0.00 -0.00 0.00 0.00 59.36 59.28 1ggz h GLU 139 Cb -0.01 -0.04 -0.03 0.00 -0.00 0.00 0.00 28.75 28.67 1ggz h GLU 139 CO -0.02 0.59 0.21 0.93 -0.00 0.00 0.00 179.01 180.72 1ggz h GLU 140 N 0.38 1.11 -0.29 1.06 5.08 -1.78 -0.49 114.58 119.64 1ggz h GLU 140 Ca 0.07 -0.24 -0.05 0.00 -1.00 0.00 0.00 59.36 58.13 1ggz h GLU 140 Cb 0.55 -0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.63 1ggz h GLU 140 CO 0.04 0.96 -0.02 0.35 -1.00 0.00 0.00 179.01 179.33 1ggz h PHE 141 N 1.05 0.58 -0.91 4.33 3.57 -0.31 -2.71 116.94 122.54 1ggz h PHE 141 Ca 0.23 -0.11 0.05 0.00 3.53 0.00 0.00 57.97 61.66 1ggz h PHE 141 Cb 0.32 -0.15 -0.06 0.00 2.79 0.00 0.00 35.95 38.85 1ggz h PHE 141 CO 0.03 0.69 0.59 0.28 -2.23 0.00 0.00 178.31 177.66 1ggz h VAL 142 N 0.31 1.11 -0.73 1.41 2.07 -0.47 -2.06 116.25 117.88 1ggz h VAL 142 Ca 0.08 -0.38 0.09 0.00 0.82 0.00 0.00 66.70 67.31 1ggz h VAL 142 Cb 0.47 -0.09 -0.07 0.00 -1.52 0.00 0.00 31.29 30.08 1ggz h VAL 142 CO 0.02 0.20 0.39 0.03 0.02 0.00 0.00 177.57 178.23 1ggz h ARG 143 N 1.10 0.65 -0.30 1.57 3.08 -0.79 -1.70 114.38 117.99 1ggz h ARG 143 Ca 0.38 -0.04 -0.06 0.00 0.07 0.00 0.00 59.98 60.33 1ggz h ARG 143 Cb 0.08 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 29.97 1ggz h ARG 143 CO -0.14 0.43 -0.02 0.28 -1.07 0.00 0.00 179.97 179.44 1ggz h VAL 144 N 0.67 1.27 0.00 2.04 2.07 -1.27 -2.51 116.25 118.52 1ggz h VAL 144 Ca 0.35 -1.00 0.00 0.00 0.82 0.00 0.00 66.70 66.87 1ggz h VAL 144 Cb 0.33 1.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.41 1ggz h VAL 144 CO -0.24 0.32 0.00 -0.11 0.02 0.00 0.00 177.57 177.56 1ggz n LEU 145 N -4.53 0.00 -0.03 2.57 7.94 -0.82 -2.50 117.00 119.63 1ggz n LEU 145 Ca -0.03 0.14 -0.01 0.00 -1.11 0.00 0.00 56.01 55.01 1ggz n LEU 145 Cb 0.28 -0.14 -0.08 0.00 0.53 0.00 0.00 43.42 44.01 1ggz n LEU 145 CO 0.39 -0.06 -0.73 0.52 -1.11 0.00 0.00 177.39 176.40 1ggz n VAL 146 N -1.14 0.38 0.08 1.96 0.31 -0.70 -5.08 118.33 114.14 1ggz n VAL 146 Ca 0.11 -0.33 0.01 0.00 -0.01 0.00 0.00 64.34 64.12 1ggz n VAL 146 Cb 0.10 -0.34 0.04 0.00 -0.91 0.00 0.00 33.84 32.73 1ggz n VAL 146 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97