#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4y n ASP 2 N 0.00 3.76 0.00 0.00 -0.08 -1.26 -4.88 116.55 114.09 1g4y n ASP 2 Ca 0.00 -3.38 0.00 0.00 -1.51 0.00 0.00 54.79 49.90 1g4y n ASP 2 Cb 0.00 -0.74 0.00 0.00 2.34 0.00 0.00 41.12 42.72 1g4y n ASP 2 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1g4y n GLN 3 N 1.21 0.00 -3.57 -0.67 6.02 -1.26 -4.88 117.38 114.23 1g4y n GLN 3 Ca 0.27 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 57.12 1g4y n GLN 3 Cb 0.39 -3.27 -0.06 0.00 1.02 0.00 0.00 30.24 28.32 1g4y n GLN 3 CO 0.00 0.00 0.00 -1.17 -1.01 0.00 0.00 177.06 174.88 1g4y s LEU 4 N 0.00 -0.54 -0.23 1.08 2.96 -1.26 -5.04 118.68 115.65 1g4y s LEU 4 Ca 0.00 0.69 -0.12 0.00 -0.22 0.00 0.00 54.13 54.48 1g4y s LEU 4 Cb 0.00 2.20 0.07 0.00 0.50 0.00 0.00 46.19 48.96 1g4y s LEU 4 CO 0.00 -0.42 0.56 0.42 -1.32 0.00 0.00 176.35 175.59 1g4y s THR 5 N -0.83 -0.08 0.37 3.68 -4.23 -1.26 -4.33 115.64 108.96 1g4y s THR 5 Ca -0.05 0.05 0.23 0.00 -1.18 0.00 0.00 61.69 60.74 1g4y s THR 5 Cb -0.01 -0.82 0.23 0.00 1.34 0.00 0.00 72.50 73.24 1g4y s THR 5 CO 0.04 0.02 1.68 1.05 -0.54 0.00 0.00 174.62 176.87 1g4y h GLU 6 N 7.15 0.00 -0.05 3.99 4.11 -2.00 0.17 114.58 127.95 1g4y h GLU 6 Ca -0.32 0.00 -0.24 0.00 0.07 0.00 0.00 59.36 58.87 1g4y h GLU 6 Cb 1.20 0.00 0.02 0.00 0.50 0.00 0.00 28.75 30.47 1g4y h GLU 6 CO 0.21 0.00 -0.92 1.49 0.07 0.00 0.00 179.01 179.86 1g4y h GLU 7 N 0.00 0.72 0.59 1.06 4.81 -2.00 -3.00 114.58 116.77 1g4y h GLU 7 Ca 0.00 -0.70 -0.03 0.00 -0.13 0.00 0.00 59.36 58.50 1g4y h GLU 7 Cb 0.59 0.18 0.01 0.00 0.63 0.00 0.00 28.75 30.16 1g4y h GLU 7 CO 0.00 1.29 -0.28 1.96 -0.73 0.00 0.00 179.01 181.25 1g4y h GLN 8 N 0.41 -0.76 -1.01 1.92 4.20 -1.07 -2.22 115.11 116.58 1g4y h GLN 8 Ca -0.10 0.05 0.30 0.00 0.06 0.00 0.00 58.65 58.96 1g4y h GLN 8 Cb 1.57 0.17 -0.14 0.00 0.30 0.00 0.00 27.48 29.38 1g4y h GLN 8 CO 0.18 -0.48 0.59 0.82 -0.67 0.00 0.00 178.83 179.27 1g4y h ILE 9 N -0.87 0.38 0.18 2.54 5.03 -1.61 0.37 117.51 123.53 1g4y h ILE 9 Ca -0.08 -0.14 -0.01 0.00 -0.12 0.00 0.00 64.86 64.51 1g4y h ILE 9 Cb 0.64 -0.06 0.00 0.00 -3.03 0.00 0.00 36.82 34.37 1g4y h ILE 9 CO 0.13 0.07 -0.09 0.00 -0.68 0.00 0.00 178.15 177.59 1g4y h ALA 10 N 1.80 -0.24 -0.71 1.87 0.00 -1.31 -1.78 119.26 118.89 1g4y h ALA 10 Ca 0.70 -0.08 -0.04 0.00 0.00 0.00 0.00 54.91 55.50 1g4y h ALA 10 Cb 1.54 0.09 -0.03 0.00 0.00 0.00 0.00 17.79 19.39 1g4y h ALA 10 CO -0.55 -0.61 0.29 0.93 0.00 0.00 0.00 179.25 179.32 1g4y h GLU 11 N -0.30 1.05 0.00 0.00 5.08 0.00 -1.97 114.58 118.44 1g4y h GLU 11 Ca -0.02 -0.18 -0.01 0.00 -1.00 0.00 0.00 59.36 58.14 1g4y h GLU 11 Cb 0.23 -0.17 -0.00 0.00 0.50 0.00 0.00 28.75 29.31 1g4y h GLU 11 CO 0.04 0.86 -0.03 0.74 -1.00 0.00 0.00 179.01 179.62 1g4y h PHE 12 N 1.01 0.00 -0.27 4.33 0.04 -0.30 0.15 116.94 121.90 1g4y h PHE 12 Ca 0.24 0.00 -0.16 0.00 2.80 0.00 0.00 57.97 60.85 1g4y h PHE 12 Cb 0.19 0.00 -0.01 0.00 2.20 0.00 0.00 35.95 38.34 1g4y h PHE 12 CO 0.01 0.03 -0.48 -0.22 -0.60 0.00 0.00 178.31 177.06 1g4y h LYS 13 N 0.00 0.73 -0.07 1.51 1.63 -0.57 -0.43 116.57 119.37 1g4y h LYS 13 Ca -0.00 -0.42 -0.05 0.00 -0.85 0.00 0.00 60.65 59.33 1g4y h LYS 13 Cb 0.06 0.03 -0.01 0.00 -0.60 0.00 0.00 32.23 31.72 1g4y h LYS 13 CO 0.00 1.04 -0.20 0.93 -3.45 0.00 0.00 179.45 177.78 1g4y h GLU 14 N 0.57 0.11 -0.15 1.90 4.39 -0.46 -2.58 114.58 118.36 1g4y h GLU 14 Ca 0.03 -0.03 -0.03 0.00 0.34 0.00 0.00 59.36 59.67 1g4y h GLU 14 Cb 1.05 -0.01 -0.00 0.00 -0.10 0.00 0.00 28.75 29.68 1g4y h GLU 14 CO 0.10 0.31 -0.01 0.00 -1.16 0.00 0.00 179.01 178.25 1g4y h ALA 15 N 1.70 0.20 -1.03 3.43 0.00 -0.10 -2.68 119.26 120.78 1g4y h ALA 15 Ca 0.02 -0.21 0.26 0.00 0.00 0.00 0.00 54.91 54.98 1g4y h ALA 15 Cb 0.42 -0.05 -0.10 0.00 0.00 0.00 0.00 17.79 18.05 1g4y h ALA 15 CO 0.03 -0.08 0.65 0.35 0.00 0.00 0.00 179.25 180.20 1g4y h PHE 16 N -0.01 0.74 0.00 0.00 3.57 -0.70 0.93 116.94 121.47 1g4y h PHE 16 Ca 0.04 0.03 -0.02 0.00 3.53 0.00 0.00 57.97 61.54 1g4y h PHE 16 Cb 0.41 -0.22 -0.00 0.00 2.79 0.00 0.00 35.95 38.93 1g4y h PHE 16 CO 0.04 0.07 -0.12 0.77 -2.23 0.00 0.00 178.31 176.84 1g4y h SER 17 N 0.44 0.00 1.15 0.41 0.02 -1.33 0.45 113.55 114.70 1g4y h SER 17 Ca 0.61 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 1g4y h SER 17 Cb 1.43 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.97 1g4y h SER 17 CO -0.34 0.12 0.00 -0.07 -1.14 0.00 0.00 176.83 175.40 1g4y h LEU 18 N 0.00 0.00 0.00 5.07 3.38 0.98 -3.32 115.31 121.42 1g4y h LEU 18 Ca -0.00 0.00 -0.35 0.00 0.09 0.00 0.00 57.88 57.62 1g4y h LEU 18 Cb 0.55 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 41.24 1g4y h LEU 18 CO 0.02 0.00 -2.22 0.49 0.09 0.00 0.00 178.44 176.81 1g4y n PHE 19 N -2.92 0.00 -2.57 1.13 3.72 -0.30 -4.80 117.46 111.72 1g4y n PHE 19 Ca 0.02 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 57.00 1g4y n PHE 19 Cb 0.33 -0.80 -0.02 0.00 -0.94 0.00 0.00 39.48 38.05 1g4y n PHE 19 CO 0.00 0.00 0.00 0.34 -0.05 0.00 0.00 176.76 177.05 1g4y s ASP 20 N -6.58 6.66 0.11 4.37 -1.08 0.14 -4.66 116.67 115.63 1g4y s ASP 20 Ca -0.30 -1.92 -0.29 0.00 -0.52 0.00 0.00 52.55 49.52 1g4y s ASP 20 Cb 0.10 -2.57 -0.09 0.00 -1.46 0.00 0.00 42.92 38.90 1g4y s ASP 20 CO 0.43 -1.35 1.61 0.11 0.52 0.00 0.00 175.17 176.49 1g4y h LYS 21 N 8.75 -0.57 -0.00 4.34 1.79 -1.87 -1.34 116.57 127.67 1g4y h LYS 21 Ca 0.32 0.04 0.00 0.00 -2.18 0.00 0.00 60.65 58.83 1g4y h LYS 21 Cb 0.94 0.13 0.00 0.00 -1.58 0.00 0.00 32.23 31.72 1g4y h LYS 21 CO 1.44 -0.38 0.00 -0.40 -1.08 0.00 0.00 179.45 179.03 1g4y n ASP 22 N -5.44 0.03 -1.89 0.86 5.68 -1.26 -4.87 116.55 109.65 1g4y n ASP 22 Ca -0.07 -1.35 -0.10 0.00 -0.50 0.00 0.00 54.79 52.77 1g4y n ASP 22 Cb 0.35 -0.00 -0.02 0.00 -1.14 0.00 0.00 41.12 40.30 1g4y n ASP 22 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1g4y n GLY 23 N 0.84 0.23 0.00 6.12 0.00 -0.51 -4.76 105.19 107.11 1g4y n GLY 23 Ca 0.16 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.22 1g4y n GLY 23 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g4y n ASP 24 N -0.99 0.00 0.00 1.61 5.75 -1.26 -4.82 116.55 116.83 1g4y n ASP 24 Ca -0.11 -1.18 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 1g4y n ASP 24 Cb 0.47 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.56 1g4y n ASP 24 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g4y n GLY 25 N 0.30 0.76 3.17 6.12 0.00 -1.26 -5.03 105.19 109.24 1g4y n GLY 25 Ca 0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1g4y n GLY 25 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1g4y s THR 26 N -2.87 0.06 -0.24 2.61 -1.32 -1.26 -4.49 115.64 108.13 1g4y s THR 26 Ca 0.00 -0.53 -0.07 0.00 -1.21 0.00 0.00 61.69 59.88 1g4y s THR 26 Cb 0.00 -0.50 -0.03 0.00 -1.51 0.00 0.00 72.50 70.46 1g4y s THR 26 CO 0.00 -0.29 0.07 -0.63 -2.21 0.00 0.00 174.62 171.56 1g4y s ILE 27 N -1.21 4.40 0.49 5.08 1.01 -0.11 -4.79 121.20 126.08 1g4y s ILE 27 Ca -0.13 -0.14 0.07 0.00 0.00 0.00 0.00 60.65 60.44 1g4y s ILE 27 Cb -0.06 -3.05 0.04 0.00 0.01 0.00 0.00 42.46 39.40 1g4y s ILE 27 CO 0.03 0.35 0.67 0.28 0.00 0.00 0.00 174.94 176.27 1g4y s THR 28 N 1.42 2.72 0.34 2.92 -1.32 -1.26 -1.79 115.64 118.67 1g4y s THR 28 Ca 0.05 -0.92 0.04 0.00 -1.21 0.00 0.00 61.69 59.66 1g4y s THR 28 Cb -0.15 -2.81 0.17 0.00 -1.51 0.00 0.00 72.50 68.20 1g4y s THR 28 CO 0.04 0.00 1.89 0.71 -2.21 0.00 0.00 174.62 175.04 1g4y h THR 29 N 0.38 1.19 -0.51 5.08 1.35 -1.91 -1.70 112.91 116.79 1g4y h THR 29 Ca -0.38 -0.73 -0.04 0.00 -0.55 0.00 0.00 66.41 64.70 1g4y h THR 29 Cb 1.28 0.87 -0.02 0.00 -1.73 0.00 0.00 68.15 68.55 1g4y h THR 29 CO 0.45 0.26 0.15 0.50 -0.25 0.00 0.00 175.52 176.63 1g4y h LYS 30 N 0.54 0.80 -0.41 4.72 3.64 -1.99 0.15 116.57 124.03 1g4y h LYS 30 Ca 0.12 -0.18 -0.13 0.00 -1.27 0.00 0.00 60.65 59.19 1g4y h LYS 30 Cb 0.29 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 31.99 1g4y h LYS 30 CO 0.00 0.75 -0.26 0.93 -2.27 0.00 0.00 179.45 178.60 1g4y h GLU 31 N 0.70 0.90 -0.63 1.90 5.08 -1.83 -2.21 114.58 118.49 1g4y h GLU 31 Ca 0.16 -0.42 0.00 0.00 -1.00 0.00 0.00 59.36 58.10 1g4y h GLU 31 Cb 0.29 -0.01 -0.03 0.00 0.50 0.00 0.00 28.75 29.50 1g4y h GLU 31 CO -0.00 1.07 0.39 1.25 -1.00 0.00 0.00 179.01 180.72 1g4y h LEU 32 N 0.72 0.74 -0.69 1.33 5.85 -1.16 -1.69 115.31 120.42 1g4y h LEU 32 Ca 0.08 -0.04 0.03 0.00 0.84 0.00 0.00 57.88 58.79 1g4y h LEU 32 Cb 0.84 -0.19 -0.04 0.00 0.37 0.00 0.00 40.66 41.64 1g4y h LEU 32 CO 0.07 0.57 0.43 1.23 -0.34 0.00 0.00 178.44 180.40 1g4y h GLY 33 N 0.85 0.99 0.99 3.75 0.00 -0.53 0.90 103.07 110.01 1g4y h GLY 33 Ca 0.23 -0.32 -0.02 0.00 0.00 0.00 0.00 47.33 47.21 1g4y h GLY 33 CO -0.05 0.27 0.27 -0.84 0.00 0.00 0.00 176.54 176.19 1g4y h THR 34 N 0.84 1.21 -0.15 4.70 2.02 -0.75 -1.16 112.91 119.61 1g4y h THR 34 Ca 0.28 -0.59 -0.03 0.00 0.77 0.00 0.00 66.41 66.83 1g4y h THR 34 Cb 0.02 0.55 -0.01 0.00 -1.74 0.00 0.00 68.15 66.98 1g4y h THR 34 CO -0.11 0.24 -0.02 0.58 0.37 0.00 0.00 175.52 176.58 1g4y h VAL 35 N 0.77 1.27 -0.82 3.16 2.07 -1.00 -1.14 116.25 120.56 1g4y h VAL 35 Ca 0.19 -0.92 0.05 0.00 0.82 0.00 0.00 66.70 66.84 1g4y h VAL 35 Cb 0.13 1.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.42 1g4y h VAL 35 CO -0.02 0.27 0.52 0.24 0.02 0.00 0.00 177.57 178.59 1g4y h MET 36 N 0.00 0.94 0.00 1.57 2.86 -0.67 -0.31 114.93 119.32 1g4y h MET 36 Ca 0.04 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.56 1g4y h MET 36 Cb 0.42 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.86 1g4y h MET 36 CO 0.01 0.62 -0.32 0.00 1.06 0.00 0.00 176.91 178.29 1g4y h ARG 37 N 0.97 0.00 0.00 1.72 3.08 -1.10 -1.77 114.38 117.29 1g4y h ARG 37 Ca 0.34 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.39 1g4y h ARG 37 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.14 1g4y h ARG 37 CO -0.14 0.32 0.00 0.66 -1.07 0.00 0.00 179.97 179.73 1g4y h SER 38 N 0.00 0.00 -0.62 7.04 4.64 0.25 0.46 113.55 125.32 1g4y h SER 38 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g4y h SER 38 Cb 0.71 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.80 1g4y h SER 38 CO 0.04 0.00 0.00 0.18 -0.87 0.00 0.00 176.83 176.18 1g4y n LEU 39 N -2.37 5.02 -1.24 5.97 4.77 -0.73 -4.94 117.00 123.48 1g4y n LEU 39 Ca 0.02 -2.59 -0.14 0.00 -0.03 0.00 0.00 56.01 53.27 1g4y n LEU 39 Cb 0.24 -0.61 -0.04 0.00 -2.33 0.00 0.00 43.42 40.68 1g4y n LEU 39 CO 0.21 0.76 -0.15 0.61 -1.33 0.00 0.00 177.39 177.50 1g4y n GLY 40 N 0.96 0.89 3.78 -0.72 0.00 0.15 -5.02 105.19 105.24 1g4y n GLY 40 Ca 0.26 -0.35 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1g4y n GLY 40 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g4y s GLN 41 N -3.69 2.60 -0.40 1.61 -0.21 -0.79 -5.00 119.66 113.78 1g4y s GLN 41 Ca 0.00 -1.34 0.10 0.00 0.02 0.00 0.00 55.36 54.13 1g4y s GLN 41 Cb 0.00 -2.36 0.31 0.00 1.00 0.00 0.00 33.01 31.96 1g4y s GLN 41 CO 0.00 0.19 0.67 0.09 -2.12 0.00 0.00 175.29 174.12 1g4y n ASN 42 N -1.21 0.96 -4.76 5.90 3.02 -1.26 -3.54 115.26 114.37 1g4y n ASN 42 Ca -0.04 -2.96 -0.41 0.00 -0.03 0.00 0.00 54.58 51.14 1g4y n ASN 42 Cb 0.60 -0.63 -0.01 0.00 -0.61 0.00 0.00 39.78 39.13 1g4y n ASN 42 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1g4y s PRO 43 N -2.05 4.19 0.92 3.52 0.04 -1.26 -5.00 135.00 135.36 1g4y s PRO 43 Ca 0.39 2.46 -0.12 0.00 0.04 0.00 0.00 61.00 63.76 1g4y s PRO 43 Cb 0.27 -3.04 0.15 0.00 0.04 0.00 0.00 34.50 31.92 1g4y s PRO 43 CO -0.09 -0.49 1.12 0.95 0.04 0.00 0.00 177.00 178.53 1g4y s THR 44 N -0.47 2.10 0.25 1.26 -4.23 -1.26 -4.79 115.64 108.49 1g4y s THR 44 Ca 0.57 0.03 -0.05 0.00 -1.18 0.00 0.00 61.69 61.07 1g4y s THR 44 Cb -0.45 -2.72 0.22 0.00 1.34 0.00 0.00 72.50 70.90 1g4y s THR 44 CO 0.52 -0.04 1.86 -0.08 -0.54 0.00 0.00 174.62 176.33 1g4y h GLU 45 N -1.56 0.98 -0.26 3.99 4.57 -1.99 -0.76 114.58 119.54 1g4y h GLU 45 Ca -0.51 -0.06 -0.11 0.00 -1.18 0.00 0.00 59.36 57.50 1g4y h GLU 45 Cb 1.33 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 29.68 1g4y h GLU 45 CO 0.61 0.65 -0.29 0.00 -1.18 0.00 0.00 179.01 178.79 1g4y h ALA 46 N 1.41 1.01 -0.30 2.92 0.00 -1.99 -1.33 119.26 120.97 1g4y h ALA 46 Ca 0.38 -0.38 -0.13 0.00 0.00 0.00 0.00 54.91 54.78 1g4y h ALA 46 Cb 0.16 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1g4y h ALA 46 CO -0.17 0.59 -0.36 0.93 0.00 0.00 0.00 179.25 180.24 1g4y h GLU 47 N 0.46 0.68 -0.48 0.00 5.08 -1.70 -0.17 114.58 118.45 1g4y h GLU 47 Ca 0.06 -0.33 -0.07 0.00 -1.00 0.00 0.00 59.36 58.02 1g4y h GLU 47 Cb 0.74 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.98 1g4y h GLU 47 CO 0.06 0.93 0.03 -0.07 -1.00 0.00 0.00 179.01 178.96 1g4y h LEU 48 N 0.57 0.80 -1.11 1.33 3.38 -0.83 -1.29 115.31 118.16 1g4y h LEU 48 Ca 0.06 -0.29 -0.06 0.00 0.09 0.00 0.00 57.88 57.68 1g4y h LEU 48 Cb 0.88 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.39 1g4y h LEU 48 CO 0.08 0.90 0.03 1.56 0.09 0.00 0.00 178.44 181.09 1g4y h GLN 49 N 0.69 0.65 -0.55 1.13 4.20 -1.00 -2.59 115.11 117.64 1g4y h GLN 49 Ca 0.14 -0.15 -0.12 0.00 0.06 0.00 0.00 58.65 58.59 1g4y h GLN 49 Cb 0.47 -0.09 -0.02 0.00 0.30 0.00 0.00 27.48 28.14 1g4y h GLN 49 CO 0.02 0.66 -0.11 -0.44 -0.67 0.00 0.00 178.83 178.29 1g4y h ASP 50 N 0.62 1.05 -0.56 1.46 3.32 -0.84 0.22 116.42 121.69 1g4y h ASP 50 Ca 0.13 -0.35 0.00 0.00 0.02 0.00 0.00 57.03 56.83 1g4y h ASP 50 Cb 0.35 -0.29 -0.03 0.00 0.22 0.00 0.00 39.33 39.59 1g4y h ASP 50 CO 0.01 1.15 0.36 -0.03 -1.72 0.00 0.00 179.24 179.01 1g4y h MET 51 N 0.93 0.75 -0.08 3.56 4.05 -0.87 -1.61 114.93 121.66 1g4y h MET 51 Ca 0.14 -0.05 -0.02 0.00 -0.28 0.00 0.00 59.70 59.49 1g4y h MET 51 Cb 0.68 -0.16 -0.00 0.00 -0.80 0.00 0.00 31.60 31.31 1g4y h MET 51 CO 0.05 0.52 -0.02 0.82 0.23 0.00 0.00 176.91 178.51 1g4y h ILE 52 N 0.76 1.29 -0.30 1.77 2.04 -1.15 -3.13 117.51 118.80 1g4y h ILE 52 Ca 0.20 -0.92 0.09 0.00 1.00 0.00 0.00 64.86 65.23 1g4y h ILE 52 Cb -0.06 1.73 -0.01 0.00 -0.74 0.00 0.00 36.82 37.74 1g4y h ILE 52 CO -0.04 0.26 0.24 0.78 0.00 0.00 0.00 178.15 179.38 1g4y h ASN 53 N -0.17 0.00 -0.37 1.72 -0.26 -0.38 -1.17 115.58 114.95 1g4y h ASN 53 Ca 0.02 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.79 1g4y h ASN 53 Cb 0.41 0.00 -0.02 0.00 -1.06 0.00 0.00 38.32 37.65 1g4y h ASN 53 CO 0.01 0.00 0.25 -0.08 -1.06 0.00 0.00 177.43 176.54 1g4y h GLU 54 N 0.00 0.36 -0.17 0.81 4.57 -1.23 -2.83 114.58 116.09 1g4y h GLU 54 Ca 0.14 -0.02 -0.18 0.00 -1.18 0.00 0.00 59.36 58.12 1g4y h GLU 54 Cb 0.61 -0.08 -0.26 0.00 -0.16 0.00 0.00 28.75 28.85 1g4y h GLU 54 CO -0.00 0.24 -0.83 1.33 -1.18 0.00 0.00 179.01 178.57 1g4y n VAL 55 N -4.48 1.32 -2.87 0.32 0.24 -0.78 -5.01 118.33 107.07 1g4y n VAL 55 Ca 0.04 -2.53 -0.43 0.00 -2.04 0.00 0.00 64.34 59.37 1g4y n VAL 55 Cb 0.16 0.31 -0.03 0.00 -1.47 0.00 0.00 33.84 32.81 1g4y n VAL 55 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 1g4y s ASP 56 N -2.93 6.46 0.00 -1.34 2.15 -0.51 -4.81 116.67 115.68 1g4y s ASP 56 Ca 0.37 -1.63 0.00 0.00 0.43 0.00 0.00 52.55 51.71 1g4y s ASP 56 Cb 0.38 -2.42 0.00 0.00 -0.30 0.00 0.00 42.92 40.57 1g4y s ASP 56 CO -0.09 -1.23 0.61 0.00 -0.17 0.00 0.00 175.17 174.29 1g4y n ALA 57 N 7.15 -0.19 1.01 3.66 0.00 -1.26 -3.39 120.51 127.49 1g4y n ALA 57 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1g4y n ALA 57 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.93 1g4y n ALA 57 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.50 177.10 1g4y n ASP 58 N -1.18 0.44 -3.27 0.00 3.85 -1.26 -4.85 116.55 110.29 1g4y n ASP 58 Ca 0.00 -1.46 -0.17 0.00 -0.71 0.00 0.00 54.79 52.46 1g4y n ASP 58 Cb 0.00 -0.22 -0.03 0.00 -1.35 0.00 0.00 41.12 39.52 1g4y n ASP 58 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1g4y n GLY 59 N 0.17 -0.46 0.13 6.12 0.00 -1.22 -4.79 105.19 105.15 1g4y n GLY 59 Ca 0.00 0.03 0.15 0.00 0.00 0.00 0.00 46.02 46.20 1g4y n GLY 59 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4y n ASN 60 N -1.85 0.40 0.00 1.61 0.23 -1.26 -4.91 115.26 109.48 1g4y n ASN 60 Ca 0.05 -1.15 0.00 0.00 -0.53 0.00 0.00 54.58 52.95 1g4y n ASN 60 Cb 0.48 -0.00 0.00 0.00 -2.08 0.00 0.00 39.78 38.17 1g4y n ASN 60 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1g4y n GLY 61 N 1.04 0.91 3.24 4.83 0.00 -1.26 -5.04 105.19 108.91 1g4y n GLY 61 Ca 0.22 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.11 1g4y n GLY 61 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1g4y s THR 62 N -3.11 0.84 -0.18 2.61 -4.23 -1.26 -4.68 115.64 105.62 1g4y s THR 62 Ca 0.00 -2.00 -0.06 0.00 -1.18 0.00 0.00 61.69 58.46 1g4y s THR 62 Cb 0.00 -2.00 -0.03 0.00 1.34 0.00 0.00 72.50 71.81 1g4y s THR 62 CO 0.00 -0.60 0.02 -0.63 -0.54 0.00 0.00 174.62 172.87 1g4y s ILE 63 N -3.55 4.34 0.27 2.99 1.01 -0.74 -4.87 121.20 120.65 1g4y s ILE 63 Ca 0.20 -0.19 0.08 0.00 0.00 0.00 0.00 60.65 60.75 1g4y s ILE 63 Cb 0.05 -2.94 -0.04 0.00 0.01 0.00 0.00 42.46 39.54 1g4y s ILE 63 CO 0.02 0.46 0.11 1.51 0.00 0.00 0.00 174.94 177.04 1g4y s ASP 64 N 0.52 4.98 0.24 3.58 3.84 -1.26 -0.94 116.67 127.63 1g4y s ASP 64 Ca 0.00 -0.50 -0.13 0.00 -0.00 0.00 0.00 52.55 51.92 1g4y s ASP 64 Cb -0.13 -1.05 0.31 0.00 -1.38 0.00 0.00 42.92 40.67 1g4y s ASP 64 CO 0.02 -0.07 1.49 0.33 -0.00 0.00 0.00 175.17 176.94 1g4y n PHE 65 N -1.06 0.15 -0.33 2.11 7.35 -1.26 -0.74 117.46 123.68 1g4y n PHE 65 Ca -0.06 1.17 0.07 0.00 -0.76 0.00 0.00 57.45 57.87 1g4y n PHE 65 Cb 0.59 -0.93 0.23 0.00 0.35 0.00 0.00 39.48 39.72 1g4y n PHE 65 CO 0.00 0.00 0.00 -1.35 -0.76 0.00 0.00 176.76 174.65 1g4y h PRO 66 N 0.00 0.81 0.00 -7.13 0.11 -1.98 -0.35 132.00 123.47 1g4y h PRO 66 Ca 0.38 -0.05 -0.13 0.00 0.11 0.00 0.00 66.00 66.31 1g4y h PRO 66 Cb 0.62 -0.18 -0.02 0.00 0.11 0.00 0.00 31.00 31.53 1g4y h PRO 66 CO -0.96 0.53 -0.63 0.93 -0.21 0.00 0.00 178.00 177.66 1g4y h GLU 67 N 0.83 0.00 0.00 1.05 5.08 -1.25 -2.66 114.58 117.63 1g4y h GLU 67 Ca 0.48 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.84 1g4y h GLU 67 Cb 0.56 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.81 1g4y h GLU 67 CO -0.30 0.63 0.00 0.34 -1.00 0.00 0.00 179.01 178.68 1g4y n PHE 68 N -3.76 0.00 -0.06 4.33 -0.00 -0.15 -2.66 117.46 115.16 1g4y n PHE 68 Ca -0.01 0.00 -0.03 0.00 -0.00 0.00 0.00 57.45 57.41 1g4y n PHE 68 Cb 0.63 -0.13 -0.14 0.00 -0.00 0.00 0.00 39.48 39.85 1g4y n PHE 68 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.76 178.04 1g4y n LEU 69 N -1.13 0.00 0.03 -2.13 7.99 -1.00 -4.13 117.00 116.63 1g4y n LEU 69 Ca 0.08 0.00 -0.11 0.00 -0.01 0.00 0.00 56.01 55.97 1g4y n LEU 69 Cb 0.07 0.31 0.03 0.00 -0.11 0.00 0.00 43.42 43.71 1g4y n LEU 69 CO 0.08 0.31 0.38 0.71 -1.51 0.00 0.00 177.39 177.36 1g4y h THR 70 N 0.00 1.35 -0.05 -5.08 1.35 -1.60 -0.49 112.91 108.39 1g4y h THR 70 Ca -0.34 -2.01 -0.03 0.00 -0.55 0.00 0.00 66.41 63.49 1g4y h THR 70 Cb 1.72 1.99 -0.01 0.00 -1.73 0.00 0.00 68.15 70.12 1g4y h THR 70 CO 0.02 0.61 -0.10 -0.03 -0.25 0.00 0.00 175.52 175.77 1g4y h MET 71 N 0.35 0.08 0.05 4.72 1.85 -1.75 -1.82 114.93 118.40 1g4y h MET 71 Ca -0.02 -0.01 -0.19 0.00 -0.61 0.00 0.00 59.70 58.87 1g4y h MET 71 Cb 1.25 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 33.25 1g4y h MET 71 CO 0.12 0.18 -0.98 0.52 -0.40 0.00 0.00 176.91 176.35 1g4y h MET 72 N 0.08 0.10 -0.89 0.39 2.07 -1.67 -3.34 114.93 111.66 1g4y h MET 72 Ca 0.02 -0.17 0.18 0.00 -2.07 0.00 0.00 59.70 57.67 1g4y h MET 72 Cb 0.23 0.06 -0.11 0.00 -1.87 0.00 0.00 31.60 29.91 1g4y h MET 72 CO 0.01 1.08 0.44 0.00 1.07 0.00 0.00 176.91 179.51 1g4y h ALA 73 N -0.19 1.40 0.00 6.32 0.00 -0.94 0.32 119.26 126.17 1g4y h ALA 73 Ca -0.24 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.79 1g4y h ALA 73 Cb 1.40 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.24 1g4y h ALA 73 CO -0.05 -0.20 0.00 0.54 0.00 0.00 0.00 179.25 179.54 1g4y n ARG 74 N -4.94 0.03 -2.69 0.00 5.12 -0.70 -3.84 116.66 109.66 1g4y n ARG 74 Ca 0.20 0.32 -0.08 0.00 -1.93 0.00 0.00 57.85 56.37 1g4y n ARG 74 Cb 0.55 -1.50 0.09 0.00 -1.16 0.00 0.00 32.46 30.44 1g4y n ARG 74 CO 0.00 0.00 0.00 0.36 -1.93 0.00 0.00 177.63 176.06 1g4y n LYS 75 N -1.43 1.18 0.15 5.56 2.85 0.11 -4.95 118.16 121.63 1g4y n LYS 75 Ca 0.02 -2.30 -0.00 0.00 -1.05 0.00 0.00 58.31 54.98 1g4y n LYS 75 Cb 0.08 -0.44 0.23 0.00 -0.65 0.00 0.00 35.03 34.24 1g4y n LYS 75 CO 0.00 0.00 0.00 1.98 -0.05 0.00 0.00 177.40 179.33 1g4y h MET 76 N 2.33 0.02 -6.91 -1.58 4.05 -1.58 -3.45 114.93 107.81 1g4y h MET 76 Ca -0.22 -0.01 -0.54 0.00 -0.28 0.00 0.00 59.70 58.65 1g4y h MET 76 Cb 1.26 0.00 0.10 0.00 -0.80 0.00 0.00 31.60 32.16 1g4y h MET 76 CO 0.12 0.55 0.79 0.21 0.23 0.00 0.00 176.91 178.81 1g4y s LYS 77 N -3.82 4.12 0.42 0.39 2.47 -1.26 -5.04 119.74 117.02 1g4y s LYS 77 Ca -0.02 2.55 0.07 0.00 -1.56 0.00 0.00 55.97 57.01 1g4y s LYS 77 Cb 0.13 -2.98 -0.06 0.00 -1.46 0.00 0.00 37.83 33.45 1g4y s LYS 77 CO 0.75 -0.53 0.09 -0.51 0.16 0.00 0.00 175.35 175.31 1g4y s ASP 78 N -0.04 4.14 0.05 1.43 1.01 -1.26 -5.17 116.67 116.83 1g4y s ASP 78 Ca 0.54 -1.24 -0.15 0.00 0.71 0.00 0.00 52.55 52.41 1g4y s ASP 78 Cb -0.46 -0.40 0.02 0.00 1.01 0.00 0.00 42.92 43.09 1g4y s ASP 78 CO 0.60 -0.51 0.34 0.28 0.21 0.00 0.00 175.17 176.08 1g4y s THR 79 N -2.67 0.08 0.53 -1.27 -1.32 -1.26 -5.15 115.64 104.59 1g4y s THR 79 Ca 0.37 -0.62 -0.20 0.00 -1.21 0.00 0.00 61.69 60.03 1g4y s THR 79 Cb 0.07 -0.96 -0.06 0.00 -1.51 0.00 0.00 72.50 70.03 1g4y s THR 79 CO 0.20 -0.34 1.15 1.51 -2.21 0.00 0.00 174.62 174.92 1g4y s ASP 80 N -2.11 5.75 -0.08 8.08 1.47 -1.26 -4.96 116.67 123.56 1g4y s ASP 80 Ca -0.04 2.23 0.19 0.00 1.18 0.00 0.00 52.55 56.11 1g4y s ASP 80 Cb -0.01 -2.59 0.69 0.00 -0.34 0.00 0.00 42.92 40.68 1g4y s ASP 80 CO -0.04 -1.20 1.59 -1.20 0.68 0.00 0.00 175.17 175.00 1g4y n SER 81 N -1.17 4.49 -0.06 2.11 7.64 -1.26 -4.76 113.62 120.61 1g4y n SER 81 Ca 0.11 -2.32 -0.13 0.00 1.01 0.00 0.00 58.87 57.54 1g4y n SER 81 Cb 0.50 -0.54 -0.09 0.00 -1.01 0.00 0.00 64.21 63.07 1g4y n SER 81 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1g4y h GLU 82 N 4.06 -0.43 -0.80 1.43 4.81 -1.94 -1.16 114.58 120.55 1g4y h GLU 82 Ca 0.00 0.03 0.08 0.00 -0.13 0.00 0.00 59.36 59.34 1g4y h GLU 82 Cb 1.30 0.10 -0.07 0.00 0.63 0.00 0.00 28.75 30.72 1g4y h GLU 82 CO 0.16 -0.29 0.47 1.49 -0.73 0.00 0.00 179.01 180.11 1g4y h GLU 83 N -0.45 0.79 -0.42 1.92 4.22 -1.99 -0.33 114.58 118.32 1g4y h GLU 83 Ca 0.04 -0.05 -0.08 0.00 0.08 0.00 0.00 59.36 59.35 1g4y h GLU 83 Cb 0.57 -0.18 -0.02 0.00 0.50 0.00 0.00 28.75 29.62 1g4y h GLU 83 CO -0.45 0.53 -0.08 0.93 -2.18 0.00 0.00 179.01 177.76 1g4y h GLU 84 N 0.82 0.72 -0.31 1.92 5.08 -1.82 -1.16 114.58 119.83 1g4y h GLU 84 Ca 0.37 -0.22 -0.12 0.00 -1.00 0.00 0.00 59.36 58.39 1g4y h GLU 84 Cb 0.27 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.44 1g4y h GLU 84 CO -0.21 0.79 -0.28 0.82 -1.00 0.00 0.00 179.01 179.13 1g4y h ILE 85 N 0.66 1.29 -0.93 3.13 2.04 -0.74 -2.26 117.51 120.70 1g4y h ILE 85 Ca 0.12 -1.44 0.07 0.00 1.00 0.00 0.00 64.86 64.61 1g4y h ILE 85 Cb 0.53 1.51 -0.07 0.00 -0.74 0.00 0.00 36.82 38.06 1g4y h ILE 85 CO 0.03 0.47 0.59 -0.09 0.00 0.00 0.00 178.15 179.15 1g4y h ARG 86 N 0.51 1.03 -0.47 2.37 2.43 -0.78 -1.52 114.38 117.94 1g4y h ARG 86 Ca 0.05 -0.06 -0.04 0.00 -0.81 0.00 0.00 59.98 59.13 1g4y h ARG 86 Cb 0.85 -0.23 -0.02 0.00 -0.42 0.00 0.00 29.97 30.14 1g4y h ARG 86 CO 0.07 0.68 0.15 0.93 -1.51 0.00 0.00 179.97 180.29 1g4y h GLU 87 N 1.06 0.70 -0.68 0.20 4.39 -1.05 0.10 114.58 119.30 1g4y h GLU 87 Ca 0.41 -0.12 -0.08 0.00 0.34 0.00 0.00 59.36 59.92 1g4y h GLU 87 Cb 0.19 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 28.70 1g4y h GLU 87 CO -0.18 0.61 0.12 0.00 -1.16 0.00 0.00 179.01 178.39 1g4y h ALA 88 N 1.48 0.90 -0.52 3.43 0.00 -0.70 -2.76 119.26 121.08 1g4y h ALA 88 Ca 0.16 -0.27 -0.10 0.00 0.00 0.00 0.00 54.91 54.70 1g4y h ALA 88 Cb 0.20 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.72 1g4y h ALA 88 CO -0.01 0.66 -0.07 0.74 0.00 0.00 0.00 179.25 180.57 1g4y h PHE 89 N 1.04 1.08 -0.04 0.00 -1.00 -0.70 -2.88 116.94 114.44 1g4y h PHE 89 Ca 0.21 -0.21 0.01 0.00 2.81 0.00 0.00 57.97 60.78 1g4y h PHE 89 Cb 0.44 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 39.73 1g4y h PHE 89 CO 0.03 1.01 0.18 -0.09 -1.61 0.00 0.00 178.31 177.83 1g4y h ARG 90 N 0.84 0.00 -0.32 1.51 2.43 -0.72 -0.26 114.38 117.87 1g4y h ARG 90 Ca 0.14 0.00 0.02 0.00 -0.81 0.00 0.00 59.98 59.33 1g4y h ARG 90 Cb 0.63 0.00 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1g4y h ARG 90 CO 0.04 0.00 0.21 0.28 -1.51 0.00 0.00 179.97 178.99 1g4y h VAL 91 N 0.00 1.02 -0.57 0.20 2.07 -1.35 -2.14 116.25 115.50 1g4y h VAL 91 Ca 0.02 -0.12 0.00 0.00 0.82 0.00 0.00 66.70 67.42 1g4y h VAL 91 Cb 0.37 0.66 0.00 0.00 -1.52 0.00 0.00 31.29 30.80 1g4y h VAL 91 CO -0.00 0.06 0.00 0.49 0.02 0.00 0.00 177.57 178.14 1g4y n PHE 92 N -4.49 0.75 -2.89 1.57 3.01 -0.11 -4.73 117.46 110.57 1g4y n PHE 92 Ca 0.03 -0.37 -0.44 0.00 1.01 0.00 0.00 57.45 57.67 1g4y n PHE 92 Cb 0.14 0.00 -0.00 0.00 -0.01 0.00 0.00 39.48 39.61 1g4y n PHE 92 CO 0.00 0.00 0.00 0.34 1.01 0.00 0.00 176.76 178.11 1g4y s ASP 93 N -1.23 6.98 0.24 4.37 -1.08 -0.80 -4.88 116.67 120.27 1g4y s ASP 93 Ca 0.44 -2.79 -0.09 0.00 -0.52 0.00 0.00 52.55 49.59 1g4y s ASP 93 Cb 0.24 -2.43 0.39 0.00 -1.46 0.00 0.00 42.92 39.66 1g4y s ASP 93 CO 0.32 -0.85 1.63 0.11 0.52 0.00 0.00 175.17 176.91 1g4y h LYS 94 N 7.44 0.08 -0.39 4.34 1.57 -1.84 -1.28 116.57 126.48 1g4y h LYS 94 Ca 0.31 -0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1g4y h LYS 94 Cb 0.89 -0.02 0.00 0.00 0.08 0.00 0.00 32.23 33.18 1g4y h LYS 94 CO 1.26 0.05 0.00 -0.25 -0.57 0.00 0.00 179.45 179.94 1g4y n ASP 95 N -5.36 3.04 -3.67 0.86 8.00 -1.26 -4.95 116.55 113.20 1g4y n ASP 95 Ca 0.12 -1.94 -0.27 0.00 0.71 0.00 0.00 54.79 53.42 1g4y n ASP 95 Cb 0.44 -0.26 0.05 0.00 -0.02 0.00 0.00 41.12 41.33 1g4y n ASP 95 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g4y n GLY 96 N 1.42 -0.52 0.82 0.44 0.00 -0.49 -4.88 105.19 101.98 1g4y n GLY 96 Ca 0.19 0.21 0.09 0.00 0.00 0.00 0.00 46.02 46.51 1g4y n GLY 96 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4y n ASN 97 N -2.85 2.85 0.00 1.61 0.23 -1.26 -4.97 115.26 110.86 1g4y n ASN 97 Ca 0.01 -1.84 0.00 0.00 -0.53 0.00 0.00 54.58 52.23 1g4y n ASN 97 Cb 0.55 -0.15 0.00 0.00 -2.08 0.00 0.00 39.78 38.10 1g4y n ASN 97 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1g4y n GLY 98 N 1.02 1.13 3.33 4.83 0.00 -1.26 -5.04 105.19 109.21 1g4y n GLY 98 Ca 0.13 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.91 1g4y n GLY 98 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1g4y s TYR 99 N -2.65 1.93 -0.05 1.61 1.51 -1.26 -3.03 117.35 115.41 1g4y s TYR 99 Ca 0.00 -0.42 0.01 0.00 -1.01 0.00 0.00 57.07 55.65 1g4y s TYR 99 Cb 0.00 -1.01 0.02 0.00 -0.11 0.00 0.00 41.96 40.86 1g4y s TYR 99 CO 0.00 0.31 -0.06 0.42 -1.11 0.00 0.00 175.55 175.11 1g4y s ILE 100 N -1.55 0.68 0.72 2.71 1.01 -0.85 -4.71 121.20 119.22 1g4y s ILE 100 Ca 0.13 -0.19 -0.11 0.00 0.00 0.00 0.00 60.65 60.47 1g4y s ILE 100 Cb -0.08 -0.69 0.03 0.00 0.01 0.00 0.00 42.46 41.73 1g4y s ILE 100 CO 0.06 0.26 1.08 -0.94 0.00 0.00 0.00 174.94 175.40 1g4y s SER 101 N 0.99 4.95 0.34 3.58 1.04 -1.26 -0.79 113.70 122.54 1g4y s SER 101 Ca -0.10 1.77 0.01 0.00 0.48 0.00 0.00 55.95 58.11 1g4y s SER 101 Cb -0.14 -2.52 0.58 0.00 0.10 0.00 0.00 66.02 64.04 1g4y s SER 101 CO -0.00 -1.74 2.00 0.00 0.98 0.00 0.00 173.24 174.48 1g4y h ALA 102 N -0.77 1.50 -0.51 5.32 0.00 -1.45 0.21 119.26 123.56 1g4y h ALA 102 Ca -0.44 -0.05 -0.12 0.00 0.00 0.00 0.00 54.91 54.30 1g4y h ALA 102 Cb 1.22 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 18.72 1g4y h ALA 102 CO 0.54 0.46 -0.16 0.00 0.00 0.00 0.00 179.25 180.09 1g4y h ALA 103 N 1.57 0.71 -0.16 0.00 0.00 -1.92 -2.05 119.26 117.42 1g4y h ALA 103 Ca 0.25 -0.37 -0.14 0.00 0.00 0.00 0.00 54.91 54.65 1g4y h ALA 103 Cb -0.10 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.50 1g4y h ALA 103 CO -0.05 0.66 -0.50 1.49 0.00 0.00 0.00 179.25 180.84 1g4y h GLU 104 N 0.88 0.42 -0.73 0.00 4.57 -1.78 -1.32 114.58 116.62 1g4y h GLU 104 Ca 0.13 -0.25 -0.03 0.00 -1.18 0.00 0.00 59.36 58.03 1g4y h GLU 104 Cb 0.73 0.02 -0.03 0.00 -0.16 0.00 0.00 28.75 29.31 1g4y h GLU 104 CO 0.06 0.83 0.34 -0.07 -1.18 0.00 0.00 179.01 178.99 1g4y h LEU 105 N 0.33 0.95 -0.51 1.64 3.38 -0.74 -0.61 115.31 119.76 1g4y h LEU 105 Ca 0.01 -0.14 -0.05 0.00 0.09 0.00 0.00 57.88 57.79 1g4y h LEU 105 Cb 1.00 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.49 1g4y h LEU 105 CO 0.09 0.82 0.11 -0.09 0.09 0.00 0.00 178.44 179.46 1g4y h ARG 106 N 1.02 0.83 -0.59 1.13 2.43 -1.15 -0.86 114.38 117.19 1g4y h ARG 106 Ca 0.25 -0.21 -0.00 0.00 -0.81 0.00 0.00 59.98 59.21 1g4y h ARG 106 Cb 0.13 -0.10 -0.03 0.00 -0.42 0.00 0.00 29.97 29.54 1g4y h ARG 106 CO -0.03 0.80 0.34 1.25 -1.51 0.00 0.00 179.97 180.83 1g4y h HIS 107 N 0.72 0.77 0.01 2.20 2.76 -0.67 -1.59 115.15 119.35 1g4y h HIS 107 Ca 0.16 0.00 -0.00 0.00 -2.20 0.00 0.00 60.37 58.33 1g4y h HIS 107 Cb 0.36 -0.25 0.00 0.00 1.55 0.00 0.00 27.41 29.06 1g4y h HIS 107 CO 0.02 0.52 -0.00 0.28 -1.30 0.00 0.00 177.93 177.45 1g4y h VAL 108 N 0.81 1.56 0.00 5.26 2.07 -0.99 -3.29 116.25 121.67 1g4y h VAL 108 Ca 0.21 -1.81 0.00 0.00 0.82 0.00 0.00 66.70 65.92 1g4y h VAL 108 Cb -0.02 2.77 0.00 0.00 -1.52 0.00 0.00 31.29 32.52 1g4y h VAL 108 CO -0.04 0.46 0.00 0.24 0.02 0.00 0.00 177.57 178.25 1g4y h MET 109 N -0.80 0.00 -0.03 1.57 2.86 -1.07 -0.76 114.93 116.70 1g4y h MET 109 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 1g4y h MET 109 Cb 0.77 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.43 1g4y h MET 109 CO 0.00 0.00 -0.03 0.25 1.06 0.00 0.00 176.91 178.19 1g4y n THR 110 N -2.94 0.00 0.00 2.22 -2.24 -0.61 -0.21 114.28 110.50 1g4y n THR 110 Ca 0.01 -0.48 0.00 0.00 -2.27 0.00 0.00 64.05 61.31 1g4y n THR 110 Cb 0.30 1.47 0.00 0.00 -2.10 0.00 0.00 70.33 70.00 1g4y n THR 110 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1g4y n ASN 111 N 1.24 4.15 -4.90 3.42 3.02 -0.99 -4.88 115.26 116.33 1g4y n ASN 111 Ca 0.14 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.40 1g4y n ASN 111 Cb 0.59 0.29 -0.04 0.00 -0.61 0.00 0.00 39.78 40.01 1g4y n ASN 111 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g4y s LEU 112 N -4.06 4.23 0.00 3.41 1.02 -0.33 -4.96 118.68 118.00 1g4y s LEU 112 Ca 0.00 0.16 0.00 0.00 0.02 0.00 0.00 54.13 54.31 1g4y s LEU 112 Cb 0.00 -2.83 0.00 0.00 0.02 0.00 0.00 46.19 43.38 1g4y s LEU 112 CO 0.00 0.11 0.00 0.61 0.02 0.00 0.00 176.35 177.09 1g4y n GLY 113 N -0.08 0.51 0.23 -3.19 0.00 -1.26 -3.13 105.19 98.27 1g4y n GLY 113 Ca -0.06 -0.82 0.10 0.00 0.00 0.00 0.00 46.02 45.24 1g4y n GLY 113 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g4y h GLU 114 N 0.00 0.00 -0.38 1.61 4.81 -1.94 -3.49 114.58 115.18 1g4y h GLU 114 Ca 0.00 0.00 0.02 0.00 -0.13 0.00 0.00 59.36 59.25 1g4y h GLU 114 Cb 0.00 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 29.37 1g4y h GLU 114 CO 0.00 0.21 -0.12 1.63 -0.73 0.00 0.00 179.01 179.99 1g4y n LYS 115 N -3.36 -0.39 -4.43 1.92 5.02 -1.18 -5.03 118.16 110.70 1g4y n LYS 115 Ca 0.00 0.31 -0.26 0.00 -2.02 0.00 0.00 58.31 56.35 1g4y n LYS 115 Cb 0.42 -0.42 -0.11 0.00 -0.02 0.00 0.00 35.03 34.90 1g4y n LYS 115 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1g4y s LEU 116 N -3.85 2.54 0.65 -0.35 1.43 0.70 -5.02 118.68 114.79 1g4y s LEU 116 Ca 0.00 -0.90 -0.11 0.00 -1.03 0.00 0.00 54.13 52.09 1g4y s LEU 116 Cb 0.00 -1.19 -0.02 0.00 0.03 0.00 0.00 46.19 45.01 1g4y s LEU 116 CO 0.00 0.09 1.04 0.42 0.23 0.00 0.00 176.35 178.13 1g4y s THR 117 N -1.99 4.41 0.53 5.49 -4.23 -1.26 -4.26 115.64 114.34 1g4y s THR 117 Ca 0.25 0.78 0.20 0.00 -1.18 0.00 0.00 61.69 61.74 1g4y s THR 117 Cb -0.07 -3.68 0.33 0.00 1.34 0.00 0.00 72.50 70.42 1g4y s THR 117 CO 0.12 -1.02 2.09 0.44 -0.54 0.00 0.00 174.62 175.70 1g4y h ASP 118 N -0.48 0.00 -0.03 3.99 3.32 -1.98 -0.77 116.42 120.48 1g4y h ASP 118 Ca -0.44 0.00 -0.21 0.00 0.02 0.00 0.00 57.03 56.40 1g4y h ASP 118 Cb 1.20 0.00 0.01 0.00 0.22 0.00 0.00 39.33 40.75 1g4y h ASP 118 CO 0.60 0.00 -0.75 -0.33 -1.72 0.00 0.00 179.24 177.04 1g4y h GLU 119 N 0.00 0.68 -0.46 3.56 3.07 -2.00 -1.52 114.58 117.90 1g4y h GLU 119 Ca 0.11 -0.55 -0.08 0.00 -0.50 0.00 0.00 59.36 58.34 1g4y h GLU 119 Cb 0.43 0.11 -0.02 0.00 -0.84 0.00 0.00 28.75 28.43 1g4y h GLU 119 CO -0.00 1.16 -0.04 0.93 -1.40 0.00 0.00 179.01 179.66 1g4y h GLU 120 N 0.46 0.79 -0.84 2.33 5.08 -1.62 -2.59 114.58 118.19 1g4y h GLU 120 Ca -0.04 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.07 1g4y h GLU 120 Cb 1.37 -0.08 -0.04 0.00 0.50 0.00 0.00 28.75 30.49 1g4y h GLU 120 CO 0.15 0.82 0.45 0.28 -1.00 0.00 0.00 179.01 179.71 1g4y h VAL 121 N 0.73 1.25 -0.71 3.13 2.07 -0.98 -1.45 116.25 120.29 1g4y h VAL 121 Ca 0.14 -0.63 0.03 0.00 0.82 0.00 0.00 66.70 67.05 1g4y h VAL 121 Cb 0.50 0.13 -0.04 0.00 -1.52 0.00 0.00 31.29 30.36 1g4y h VAL 121 CO 0.03 0.28 0.45 0.44 0.02 0.00 0.00 177.57 178.79 1g4y h ASP 122 N 1.17 0.74 -0.48 0.57 3.32 -0.90 -0.59 116.42 120.24 1g4y h ASP 122 Ca 0.29 -0.00 -0.05 0.00 0.02 0.00 0.00 57.03 57.29 1g4y h ASP 122 Cb 0.05 -0.16 -0.02 0.00 0.22 0.00 0.00 39.33 39.41 1g4y h ASP 122 CO -0.05 0.52 0.12 -0.33 -1.72 0.00 0.00 179.24 177.78 1g4y h GLU 123 N 0.88 0.77 -0.21 3.56 5.08 -1.16 -0.53 114.58 122.98 1g4y h GLU 123 Ca 0.28 -0.19 -0.01 0.00 -1.00 0.00 0.00 59.36 58.45 1g4y h GLU 123 Cb 0.00 -0.10 -0.01 0.00 0.50 0.00 0.00 28.75 29.14 1g4y h GLU 123 CO -0.10 0.75 0.11 1.98 -1.00 0.00 0.00 179.01 180.75 1g4y h MET 124 N 0.66 0.30 -0.87 2.33 4.05 -0.88 -2.81 114.93 117.70 1g4y h MET 124 Ca 0.15 -0.04 -0.03 0.00 -0.28 0.00 0.00 59.70 59.51 1g4y h MET 124 Cb 0.33 -0.06 -0.04 0.00 -0.80 0.00 0.00 31.60 31.03 1g4y h MET 124 CO 0.00 0.29 0.44 0.82 0.23 0.00 0.00 176.91 178.70 1g4y h ILE 125 N 0.22 1.26 -0.81 1.77 2.04 -1.04 0.93 117.51 121.88 1g4y h ILE 125 Ca 0.07 -0.69 0.10 0.00 1.00 0.00 0.00 64.86 65.34 1g4y h ILE 125 Cb 0.09 0.12 -0.07 0.00 -0.74 0.00 0.00 36.82 36.21 1g4y h ILE 125 CO -0.01 0.30 0.46 -0.09 0.00 0.00 0.00 178.15 178.81 1g4y h ARG 126 N 1.23 0.73 0.05 2.37 2.43 -0.85 0.49 114.38 120.83 1g4y h ARG 126 Ca 0.30 -0.04 -0.25 0.00 -0.81 0.00 0.00 59.98 59.17 1g4y h ARG 126 Cb 0.08 -0.17 0.01 0.00 -0.42 0.00 0.00 29.97 29.47 1g4y h ARG 126 CO -0.04 0.48 -1.08 0.93 -1.51 0.00 0.00 179.97 178.75 1g4y h GLU 127 N 0.75 0.43 0.00 0.20 4.39 -1.22 -3.37 114.58 115.77 1g4y h GLU 127 Ca 0.40 -0.54 -0.19 0.00 0.34 0.00 0.00 59.36 59.37 1g4y h GLU 127 Cb 0.39 0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.19 1g4y h GLU 127 CO -0.26 1.20 -0.89 0.00 -1.16 0.00 0.00 179.01 177.90 1g4y h ALA 128 N 0.60 0.43 -1.40 3.43 0.00 -0.05 -3.38 119.26 118.89 1g4y h ALA 128 Ca -0.12 -0.81 -0.73 0.00 0.00 0.00 0.00 54.91 53.26 1g4y h ALA 128 Cb 1.74 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 19.23 1g4y h ALA 128 CO 0.19 1.11 1.64 -3.47 0.00 0.00 0.00 179.25 178.72 1g4y n ASP 129 N -3.33 5.12 -0.34 0.00 2.03 0.09 -4.57 116.55 115.55 1g4y n ASP 129 Ca 0.00 -2.98 -0.04 0.00 0.52 0.00 0.00 54.79 52.29 1g4y n ASP 129 Cb 0.89 -1.59 0.09 0.00 -0.72 0.00 0.00 41.12 39.79 1g4y n ASP 129 CO 0.00 0.00 0.00 0.40 -1.92 0.00 0.00 177.20 175.68 1g4y h ILE 130 N 4.63 1.25 -0.00 5.18 5.03 -1.84 -2.69 117.51 129.09 1g4y h ILE 130 Ca 0.36 -0.58 0.00 0.00 -0.12 0.00 0.00 64.86 64.51 1g4y h ILE 130 Cb 0.83 -0.01 0.00 0.00 -3.03 0.00 0.00 36.82 34.61 1g4y h ILE 130 CO 1.35 0.27 -0.11 0.47 -0.68 0.00 0.00 178.15 179.46 1g4y n ASP 131 N -4.36 0.24 -1.17 1.72 9.92 -1.26 -4.92 116.55 116.71 1g4y n ASP 131 Ca 0.10 -0.14 -0.12 0.00 -0.53 0.00 0.00 54.79 54.10 1g4y n ASP 131 Cb 0.07 -0.19 -0.03 0.00 -0.64 0.00 0.00 41.12 40.33 1g4y n ASP 131 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g4y n GLY 132 N 1.37 0.62 1.29 0.44 0.00 -1.01 -4.91 105.19 102.99 1g4y n GLY 132 Ca 0.11 -0.41 0.09 0.00 0.00 0.00 0.00 46.02 45.82 1g4y n GLY 132 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1g4y n ASP 133 N -0.18 4.10 -0.47 1.61 5.75 -1.26 -4.94 116.55 121.15 1g4y n ASP 133 Ca -0.14 -2.25 -0.06 0.00 -0.01 0.00 0.00 54.79 52.34 1g4y n ASP 133 Cb 0.51 -0.48 -0.03 0.00 -1.03 0.00 0.00 41.12 40.09 1g4y n ASP 133 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g4y n GLY 134 N 1.09 0.80 3.15 6.12 0.00 -1.26 -5.01 105.19 110.08 1g4y n GLY 134 Ca 0.22 -0.29 -0.22 0.00 0.00 0.00 0.00 46.02 45.73 1g4y n GLY 134 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g4y s GLN 135 N -2.11 1.11 -0.26 1.61 -1.52 -1.26 -1.05 119.66 116.18 1g4y s GLN 135 Ca 0.00 -0.69 -0.04 0.00 -1.95 0.00 0.00 55.36 52.69 1g4y s GLN 135 Cb 0.00 -1.11 0.02 0.00 -0.22 0.00 0.00 33.01 31.70 1g4y s GLN 135 CO 0.00 0.29 -0.01 0.08 -0.25 0.00 0.00 175.29 175.40 1g4y s VAL 136 N -0.63 3.29 -0.82 1.09 1.01 0.03 -4.62 120.40 119.74 1g4y s VAL 136 Ca 0.04 -0.86 -0.26 0.00 0.00 0.00 0.00 61.98 60.91 1g4y s VAL 136 Cb -0.07 -2.66 0.04 0.00 0.00 0.00 0.00 36.38 33.68 1g4y s VAL 136 CO 0.01 0.18 1.32 0.21 0.00 0.00 0.00 175.10 176.82 1g4y s ASN 137 N 1.40 6.26 0.41 3.32 3.84 -1.26 -2.01 114.94 126.89 1g4y s ASN 137 Ca 0.02 -0.74 0.18 0.00 0.21 0.00 0.00 52.86 52.52 1g4y s ASN 137 Cb -0.17 -2.56 0.88 0.00 -0.55 0.00 0.00 41.25 38.85 1g4y s ASN 137 CO -0.02 -1.74 1.85 0.10 -2.79 0.00 0.00 177.10 174.50 1g4y h TYR 138 N 9.95 0.00 -0.50 0.43 -0.00 -1.92 -2.12 116.97 122.81 1g4y h TYR 138 Ca -0.15 0.00 -0.03 0.00 0.00 0.00 0.00 58.73 58.56 1g4y h TYR 138 Cb 1.04 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.75 1g4y h TYR 138 CO 1.17 0.32 0.20 1.49 -0.00 0.00 0.00 178.16 181.34 1g4y h GLU 139 N 0.00 0.74 -0.44 0.10 4.81 -1.91 -0.60 114.58 117.28 1g4y h GLU 139 Ca -0.00 -0.13 -0.03 0.00 -0.13 0.00 0.00 59.36 59.07 1g4y h GLU 139 Cb 0.67 -0.12 -0.02 0.00 0.63 0.00 0.00 28.75 29.91 1g4y h GLU 139 CO 0.04 0.66 0.18 0.93 -0.73 0.00 0.00 179.01 180.09 1g4y h GLU 140 N 0.66 0.66 -0.63 1.92 5.08 -1.85 -1.92 114.58 118.51 1g4y h GLU 140 Ca 0.17 -0.12 -0.02 0.00 -1.00 0.00 0.00 59.36 58.39 1g4y h GLU 140 Cb 0.19 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.30 1g4y h GLU 140 CO -0.01 0.61 0.33 0.35 -1.00 0.00 0.00 179.01 179.28 1g4y h PHE 141 N 0.57 0.88 -0.47 4.33 3.57 -1.14 -1.93 116.94 122.76 1g4y h PHE 141 Ca 0.15 -0.03 -0.11 0.00 3.53 0.00 0.00 57.97 61.51 1g4y h PHE 141 Cb 0.19 -0.28 -0.02 0.00 2.79 0.00 0.00 35.95 38.63 1g4y h PHE 141 CO 0.00 0.65 -0.13 0.28 -2.23 0.00 0.00 178.31 176.88 1g4y h VAL 142 N 0.87 1.26 -0.95 1.41 2.07 -1.06 -1.47 116.25 118.39 1g4y h VAL 142 Ca 0.22 -1.24 0.02 0.00 0.82 0.00 0.00 66.70 66.52 1g4y h VAL 142 Cb 0.07 1.04 -0.05 0.00 -1.52 0.00 0.00 31.29 30.82 1g4y h VAL 142 CO -0.03 0.43 0.62 1.56 0.02 0.00 0.00 177.57 180.17 1g4y h GLN 143 N 0.79 1.21 -0.48 1.57 4.20 -1.08 -0.51 115.11 120.79 1g4y h GLN 143 Ca 0.12 -0.07 -0.13 0.00 0.06 0.00 0.00 58.65 58.63 1g4y h GLN 143 Cb 0.65 -0.27 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 1g4y h GLN 143 CO 0.05 0.80 -0.22 1.98 -0.67 0.00 0.00 178.83 180.76 1g4y h MET 144 N 1.24 1.00 0.00 1.46 4.05 -1.08 0.09 114.93 121.69 1g4y h MET 144 Ca 0.36 -0.43 -0.10 0.00 -0.28 0.00 0.00 59.70 59.25 1g4y h MET 144 Cb -0.08 -0.03 -0.01 0.00 -0.80 0.00 0.00 31.60 30.67 1g4y h MET 144 CO -0.10 1.11 -0.49 0.52 0.23 0.00 0.00 176.91 178.19 1g4y h MET 145 N 0.86 0.00 -0.02 0.39 2.86 -0.76 -3.18 114.93 115.08 1g4y h MET 145 Ca 0.11 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.75 1g4y h MET 145 Cb 0.80 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.46 1g4y h MET 145 CO 0.07 0.49 -0.42 0.25 1.06 0.00 0.00 176.91 178.35 1g4y n THR 146 N -3.71 0.00 0.16 2.22 -2.24 -0.25 -5.10 114.28 105.36 1g4y n THR 146 Ca -0.01 -0.28 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 1g4y n THR 146 Cb 0.55 1.27 0.08 0.00 -2.10 0.00 0.00 70.33 70.12 1g4y n THR 146 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50