#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gmy s THR 2 N 0.00 0.04 0.00 -0.72 -1.32 -0.51 -1.58 115.64 111.54 3gmy s THR 2 Ca 0.00 -0.31 0.00 0.00 -1.21 0.00 0.00 61.69 60.17 3gmy s THR 2 Cb 0.00 -1.01 0.00 0.00 -1.51 0.00 0.00 72.50 69.98 3gmy s THR 2 CO 0.00 -0.17 0.00 0.61 -2.21 0.00 0.00 174.62 172.85 3gmy n GLY 3 N 0.22 0.37 3.74 6.08 0.00 0.03 -3.60 105.19 112.02 3gmy n GLY 3 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 3gmy n GLY 3 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 3gmy s PHE 4 N -2.00 3.23 0.20 1.61 5.36 -0.50 -4.92 117.98 120.96 3gmy s PHE 4 Ca 0.00 1.18 0.03 0.00 -0.96 0.00 0.00 56.93 57.18 3gmy s PHE 4 Cb 0.00 -3.63 -0.05 0.00 -0.34 0.00 0.00 43.02 39.00 3gmy s PHE 4 CO 0.00 -2.00 -0.01 0.95 -1.46 0.00 0.00 175.22 172.70 3gmy s THR 5 N 0.15 0.94 0.34 0.12 -4.23 -1.26 -3.78 115.64 107.92 3gmy s THR 5 Ca 0.57 -2.02 0.10 0.00 -1.18 0.00 0.00 61.69 59.16 3gmy s THR 5 Cb -0.37 -2.22 0.33 0.00 1.34 0.00 0.00 72.50 71.57 3gmy s THR 5 CO 0.38 -0.41 1.80 -0.65 -0.54 0.00 0.00 174.62 175.20 3gmy h PRO 6 N 2.57 0.63 -0.66 3.99 0.11 -1.96 -2.02 132.00 134.67 3gmy h PRO 6 Ca -0.38 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 65.68 3gmy h PRO 6 Cb 1.21 -0.14 -0.03 0.00 0.11 0.00 0.00 31.00 32.15 3gmy h PRO 6 CO 0.64 0.42 0.36 1.49 -0.21 0.00 0.00 178.00 180.69 3gmy h GLU 7 N 0.65 0.92 -0.25 1.05 4.22 -1.98 -0.13 114.58 119.05 3gmy h GLU 7 Ca 0.55 -0.11 -0.10 0.00 0.08 0.00 0.00 59.36 59.78 3gmy h GLU 7 Cb 1.01 -0.18 -0.01 0.00 0.50 0.00 0.00 28.75 30.07 3gmy h GLU 7 CO -0.32 0.69 -0.28 0.00 -2.18 0.00 0.00 179.01 176.92 3gmy h ARG 8 N 0.90 0.51 -0.46 1.92 3.08 -1.74 -2.25 114.38 116.34 3gmy h ARG 8 Ca 0.23 -0.20 -0.14 0.00 0.07 0.00 0.00 59.98 59.94 3gmy h ARG 8 Cb 0.04 -0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.06 3gmy h ARG 8 CO -0.04 0.74 -0.26 -0.92 -1.07 0.00 0.00 179.97 178.42 3gmy h TYR 9 N 0.44 1.15 0.00 3.04 3.20 -0.83 -1.21 116.97 122.76 3gmy h TYR 9 Ca 0.06 -0.30 -0.01 0.00 3.14 0.00 0.00 58.73 61.62 3gmy h TYR 9 Cb 0.72 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.72 3gmy h TYR 9 CO 0.02 1.13 -0.07 -0.97 -1.64 0.00 0.00 178.16 176.64 3gmy h ASN 10 N 0.84 0.00 1.20 -2.11 -1.24 -0.85 -2.30 115.58 111.12 3gmy h ASN 10 Ca 0.10 0.00 -0.06 0.00 0.71 0.00 0.00 56.30 57.05 3gmy h ASN 10 Cb 0.85 0.00 -0.01 0.00 0.73 0.00 0.00 38.32 39.89 3gmy h ASN 10 CO 0.07 0.07 -0.30 0.11 -1.29 0.00 0.00 177.43 176.10 3gmy h LYS 11 N 0.00 0.00 -6.09 6.67 1.57 -0.62 -3.45 116.57 114.65 3gmy h LYS 11 Ca -0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3gmy h LYS 11 Cb 0.48 0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.74 3gmy h LYS 11 CO 0.01 0.30 0.12 0.42 -0.57 0.00 0.00 179.45 179.72 3gmy s ILE 12 N -3.39 5.00 0.08 1.86 1.01 -0.87 -5.05 121.20 119.84 3gmy s ILE 12 Ca 0.02 1.51 0.03 0.00 0.00 0.00 0.00 60.65 62.22 3gmy s ILE 12 Cb 0.09 -4.07 -0.03 0.00 0.01 0.00 0.00 42.46 38.46 3gmy s ILE 12 CO 0.67 0.26 -0.10 -1.10 0.00 0.00 0.00 174.94 174.68 3gmy s GLN 13 N 0.71 0.76 0.61 2.79 -1.52 -1.26 -5.00 119.66 116.75 3gmy s GLN 13 Ca 0.39 -1.04 -0.19 0.00 -1.95 0.00 0.00 55.36 52.56 3gmy s GLN 13 Cb -0.18 -0.49 -0.03 0.00 -0.22 0.00 0.00 33.01 32.09 3gmy s GLN 13 CO 0.19 0.08 1.23 1.19 -0.25 0.00 0.00 175.29 177.73 3gmy n PHE 14 N 0.84 1.75 -1.57 0.91 3.72 -1.26 -4.76 117.46 117.09 3gmy n PHE 14 Ca -0.18 0.43 -0.00 0.00 -0.05 0.00 0.00 57.45 57.64 3gmy n PHE 14 Cb 0.57 -2.26 0.00 0.00 -0.94 0.00 0.00 39.48 36.85 3gmy n PHE 14 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gmy n GLY 15 N 0.98 -1.17 3.63 1.37 0.00 0.38 -4.89 105.19 105.48 3gmy n GLY 15 Ca 0.14 -0.08 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 3gmy n GLY 15 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3gmy s ASP 17 N -0.88 4.73 0.27 1.61 1.01 -1.26 -4.35 116.67 117.80 3gmy s ASP 17 Ca 0.01 -0.21 -0.01 0.00 0.71 0.00 0.00 52.55 53.06 3gmy s ASP 17 Cb -0.00 -1.07 0.57 0.00 1.01 0.00 0.00 42.92 43.42 3gmy s ASP 17 CO 0.04 0.22 1.73 -0.09 0.21 0.00 0.00 175.17 177.28 3gmy h ARG 18 N 3.93 0.47 -0.26 8.23 2.43 -1.29 -0.12 114.38 127.77 3gmy h ARG 18 Ca -0.48 -0.03 -0.04 0.00 -0.81 0.00 0.00 59.98 58.62 3gmy h ARG 18 Cb 1.17 -0.11 -0.01 0.00 -0.42 0.00 0.00 29.97 30.60 3gmy h ARG 18 CO 0.55 0.31 -0.02 1.79 -1.51 0.00 0.00 179.97 181.10 3gmy h THR 19 N 0.49 1.17 -0.06 0.20 1.35 -2.00 -0.47 112.91 113.59 3gmy h THR 19 Ca 0.48 -0.67 -0.21 0.00 -0.55 0.00 0.00 66.41 65.46 3gmy h THR 19 Cb 0.77 0.99 0.01 0.00 -1.73 0.00 0.00 68.15 68.20 3gmy h THR 19 CO -0.43 0.23 -0.77 0.25 -0.25 0.00 0.00 175.52 174.54 3gmy h LEU 20 N 0.38 0.78 -0.45 3.87 5.85 -1.50 -2.50 115.31 121.74 3gmy h LEU 20 Ca 0.08 -0.69 -0.01 0.00 0.84 0.00 0.00 57.88 58.11 3gmy h LEU 20 Cb 0.28 -0.24 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 3gmy h LEU 20 CO 0.01 1.36 0.26 0.58 -0.34 0.00 0.00 178.44 180.31 3gmy h VAL 21 N 0.27 1.15 -0.39 1.05 2.07 -0.98 -0.08 116.25 119.34 3gmy h VAL 21 Ca -0.08 -0.37 0.06 0.00 0.82 0.00 0.00 66.70 67.13 3gmy h VAL 21 Cb 1.43 0.58 -0.05 0.00 -1.52 0.00 0.00 31.29 31.73 3gmy h VAL 21 CO 0.15 0.16 0.10 -0.25 0.02 0.00 0.00 177.57 177.75 3gmy h TRP 22 N 0.59 0.17 0.07 1.57 2.91 -1.12 -0.09 115.95 120.05 3gmy h TRP 22 Ca 0.16 0.02 -0.00 0.00 1.13 0.00 0.00 58.89 60.20 3gmy h TRP 22 Cb 0.03 -0.02 0.00 0.00 -0.51 0.00 0.00 29.16 28.66 3gmy h TRP 22 CO -0.03 0.04 -0.03 0.37 -1.03 0.00 0.00 178.44 177.76 3gmy h GLN 23 N 0.23 -0.09 0.00 2.65 4.15 -1.21 0.34 115.11 121.18 3gmy h GLN 23 Ca 0.19 0.01 -0.06 0.00 0.77 0.00 0.00 58.65 59.56 3gmy h GLN 23 Cb 0.20 0.02 -0.01 0.00 0.21 0.00 0.00 27.48 27.91 3gmy h GLN 23 CO -0.23 -0.05 -0.27 -0.07 -1.93 0.00 0.00 178.83 176.29 3gmy h LEU 24 N -0.11 0.00 0.00 -2.39 3.38 -0.62 -2.52 115.31 113.05 3gmy h LEU 24 Ca -0.01 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.96 3gmy h LEU 24 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 3gmy h LEU 24 CO 0.02 0.27 -0.10 0.00 0.09 0.00 0.00 178.44 178.71 3gmy n ALA 25 N -2.36 2.43 0.00 1.53 0.00 -0.08 -4.90 120.51 117.13 3gmy n ALA 25 Ca -0.01 -0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.34 3gmy n ALA 25 Cb 0.36 -1.42 0.00 0.00 0.00 0.00 0.00 19.45 18.39 3gmy n ALA 25 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3gmy n GLY 26 N 1.36 1.16 7.00 0.00 0.00 -0.95 -4.60 105.19 109.16 3gmy n GLY 26 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gmy n GLY 26 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gmy n ALA 27 N -0.33 0.00 0.30 4.61 0.00 0.12 -2.21 120.51 123.00 3gmy n ALA 27 Ca 0.00 0.00 0.18 0.00 0.00 0.00 0.00 53.44 53.62 3gmy n ALA 27 Cb 0.00 0.00 0.82 0.00 0.00 0.00 0.00 19.45 20.27 3gmy n ALA 27 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 3gmy h ASP 28 N 4.70 0.00 0.00 0.00 3.32 -1.88 0.14 116.42 122.70 3gmy h ASP 28 Ca 0.00 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 56.94 3gmy h ASP 28 Cb 0.00 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.54 3gmy h ASP 28 CO 0.00 0.00 -0.32 0.06 -1.72 0.00 0.00 179.24 177.26 3gmy h GLN 29 N 0.00 0.46 0.00 3.56 3.07 -1.78 -3.36 115.11 117.06 3gmy h GLN 29 Ca 0.00 -0.20 -0.01 0.00 0.09 0.00 0.00 58.65 58.53 3gmy h GLN 29 Cb 0.36 -0.02 -0.00 0.00 0.08 0.00 0.00 27.48 27.90 3gmy h GLN 29 CO 0.00 0.73 -1.26 0.43 0.09 0.00 0.00 178.83 178.82 3gmy n SER 30 N -4.08 3.78 -4.18 0.06 7.64 -0.84 -1.43 113.62 114.57 3gmy n SER 30 Ca -0.01 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.73 3gmy n SER 30 Cb 0.45 1.17 -0.11 0.00 -1.01 0.00 0.00 64.21 64.71 3gmy n SER 30 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gmy s SER 32 N -2.49 2.53 -0.38 0.00 0.15 0.09 -4.52 113.70 109.08 3gmy s SER 32 Ca 0.06 -0.45 -0.14 0.00 0.70 0.00 0.00 55.95 56.12 3gmy s SER 32 Cb -0.02 -1.16 0.00 0.00 -1.71 0.00 0.00 66.02 63.13 3gmy s SER 32 CO -0.00 0.10 0.27 -0.62 1.20 0.00 0.00 173.24 174.19 3gmy s ASP 33 N 0.51 6.08 -0.14 5.45 -1.08 -1.26 -1.09 116.67 125.14 3gmy s ASP 33 Ca -0.16 -0.68 0.15 0.00 -0.52 0.00 0.00 52.55 51.34 3gmy s ASP 33 Cb -0.17 -2.15 0.57 0.00 -1.46 0.00 0.00 42.92 39.71 3gmy s ASP 33 CO 0.06 -0.35 1.48 0.00 0.52 0.00 0.00 175.17 176.88 3gmy n GLN 34 N 5.13 3.38 0.00 4.34 6.02 0.25 -4.99 117.38 131.51 3gmy n GLN 34 Ca -0.12 -2.74 0.00 0.00 -0.01 0.00 0.00 57.00 54.13 3gmy n GLN 34 Cb 0.48 -1.80 0.00 0.00 1.02 0.00 0.00 30.24 29.94 3gmy n GLN 34 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3gmy n VAL 35 N 0.22 0.00 0.22 5.09 0.31 -1.26 -4.16 118.33 118.75 3gmy n VAL 35 Ca 0.21 0.00 0.06 0.00 -0.01 0.00 0.00 64.34 64.61 3gmy n VAL 35 Cb 0.84 0.00 0.51 0.00 -0.91 0.00 0.00 33.84 34.28 3gmy n VAL 35 CO 0.00 0.00 0.00 -0.08 -1.32 0.00 0.00 176.83 175.43 3gmy h GLU 36 N 0.00 0.00 -2.50 5.55 4.81 -1.96 -3.45 114.58 117.02 3gmy h GLU 36 Ca 0.00 0.00 0.09 0.00 -0.13 0.00 0.00 59.36 59.32 3gmy h GLU 36 Cb 0.00 0.00 -0.12 0.00 0.63 0.00 0.00 28.75 29.26 3gmy h GLU 36 CO 0.00 0.24 0.41 -0.98 -0.73 0.00 0.00 179.01 177.95 3gmy s ARG 37 N -4.32 1.06 -0.13 1.92 1.70 -1.26 -4.63 118.95 113.30 3gmy s ARG 37 Ca -0.03 -0.45 -0.05 0.00 -0.47 0.00 0.00 55.73 54.73 3gmy s ARG 37 Cb 0.14 0.45 -0.04 0.00 -0.57 0.00 0.00 34.95 34.93 3gmy s ARG 37 CO 0.68 -0.47 0.04 0.42 -1.08 0.00 0.00 175.30 174.89 3gmy s ILE 38 N -3.35 4.63 -0.11 4.99 1.01 -0.15 -0.58 121.20 127.63 3gmy s ILE 38 Ca 0.06 -0.11 0.02 0.00 0.00 0.00 0.00 60.65 60.61 3gmy s ILE 38 Cb -0.01 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.44 3gmy s ILE 38 CO -0.07 0.56 -0.18 -0.63 0.00 0.00 0.00 174.94 174.61 3gmy s ILE 39 N -0.43 2.57 -0.05 2.92 1.01 -0.25 -0.84 121.20 126.13 3gmy s ILE 39 Ca 0.09 -0.84 0.06 0.00 0.00 0.00 0.00 60.65 59.97 3gmy s ILE 39 Cb -0.12 -2.04 -0.01 0.00 0.01 0.00 0.00 42.46 40.30 3gmy s ILE 39 CO 0.02 0.54 -0.25 0.00 0.00 0.00 0.00 174.94 175.26 3gmy s TYR 41 N -0.25 2.87 0.26 0.00 1.51 -0.16 -0.99 117.35 120.59 3gmy s TYR 41 Ca -0.01 -0.04 0.03 0.00 -1.01 0.00 0.00 57.07 56.05 3gmy s TYR 41 Cb -0.13 -1.66 0.35 0.00 -0.11 0.00 0.00 41.96 40.41 3gmy s TYR 41 CO 0.03 0.31 1.66 -0.97 -1.11 0.00 0.00 175.55 175.47 3gmy h ASN 42 N 5.08 0.42 -5.08 2.29 -0.73 -1.36 -1.25 115.58 114.94 3gmy h ASN 42 Ca -0.48 -0.17 -0.00 0.00 1.87 0.00 0.00 56.30 57.51 3gmy h ASN 42 Cb 1.17 -0.12 -0.09 0.00 0.27 0.00 0.00 38.32 39.55 3gmy h ASN 42 CO 0.52 0.77 0.07 0.54 -0.37 0.00 0.00 177.43 178.96 3gmy s ASN 43 N -6.86 -0.25 0.05 1.15 2.20 -1.26 -0.79 114.94 109.18 3gmy s ASN 43 Ca -0.06 -0.56 0.08 0.00 -0.94 0.00 0.00 52.86 51.38 3gmy s ASN 43 Cb 0.13 0.62 0.36 0.00 -2.00 0.00 0.00 41.25 40.37 3gmy s ASN 43 CO 0.79 -1.15 1.25 -2.65 -2.94 0.00 0.00 177.10 172.41 3gmy n PRO 44 N -0.38 0.03 -2.17 3.55 -0.02 -0.62 -3.50 135.00 131.89 3gmy n PRO 44 Ca -0.07 0.44 -0.31 0.00 -2.02 0.00 0.00 63.50 61.54 3gmy n PRO 44 Cb 0.62 -1.57 -0.05 0.00 -0.02 0.00 0.00 33.50 32.48 3gmy n PRO 44 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 3gmy s ASP 45 N -3.18 5.43 0.00 2.55 2.15 -1.26 -4.78 116.67 117.58 3gmy s ASP 45 Ca 0.02 -1.40 0.02 0.00 0.43 0.00 0.00 52.55 51.61 3gmy s ASP 45 Cb 0.04 -2.58 0.09 0.00 -0.30 0.00 0.00 42.92 40.18 3gmy s ASP 45 CO 0.12 -2.58 0.59 1.41 -0.17 0.00 0.00 175.17 174.54 3gmy n HIS 46 N 12.99 0.00 1.02 -5.34 8.25 -1.23 -1.12 115.22 129.79 3gmy n HIS 46 Ca 0.43 0.00 0.11 0.00 -0.26 0.00 0.00 57.72 57.99 3gmy n HIS 46 Cb 0.47 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.58 3gmy n HIS 46 CO 0.00 0.00 0.00 0.66 0.64 0.00 0.00 176.34 177.64 3gmy n TYR 47 N -0.55 0.00 -0.44 4.41 4.01 -1.26 -4.96 117.16 118.37 3gmy n TYR 47 Ca 0.01 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.75 3gmy n TYR 47 Cb 0.01 -0.05 0.00 0.00 -0.31 0.00 0.00 39.34 38.98 3gmy n TYR 47 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3gmy n GLY 48 N 1.47 0.60 3.76 2.72 0.00 -0.28 -4.98 105.19 108.48 3gmy n GLY 48 Ca 0.06 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.99 3gmy n GLY 48 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3gmy n PRO 49 N 0.00 2.42 -3.48 1.61 -0.02 -1.26 -4.86 135.00 129.42 3gmy n PRO 49 Ca 0.00 0.85 -0.11 0.00 -2.02 0.00 0.00 63.50 62.23 3gmy n PRO 49 Cb 0.00 -2.61 -0.03 0.00 -0.02 0.00 0.00 33.50 30.84 3gmy n PRO 49 CO 0.00 0.00 0.00 1.14 1.98 0.00 0.00 175.50 178.62 3gmy s GLN 50 N -2.23 1.01 0.02 -0.52 -2.07 -1.26 -1.52 119.66 113.09 3gmy s GLN 50 Ca 0.57 -0.29 0.07 0.00 -1.82 0.00 0.00 55.36 53.89 3gmy s GLN 50 Cb -0.47 0.47 -0.03 0.00 -1.09 0.00 0.00 33.01 31.88 3gmy s GLN 50 CO 0.61 -0.42 -0.22 0.20 -1.32 0.00 0.00 175.29 174.14 3gmy s GLY 51 N -2.39 1.46 -0.09 2.60 0.00 -0.16 -4.48 107.32 104.25 3gmy s GLY 51 Ca 0.02 -1.17 0.04 0.00 0.00 0.00 0.00 44.72 43.61 3gmy s GLY 51 CO -0.08 -1.03 -0.24 0.30 0.00 0.00 0.00 173.10 172.04 3gmy s HIS 52 N -0.80 2.54 -0.07 1.90 3.76 0.01 -0.85 115.29 121.78 3gmy s HIS 52 Ca 0.12 -0.95 0.04 0.00 -0.15 0.00 0.00 55.06 54.12 3gmy s HIS 52 Cb -0.10 -1.69 0.00 0.00 1.11 0.00 0.00 32.58 31.90 3gmy s HIS 52 CO 0.02 -0.36 -0.19 -0.06 -0.85 0.00 0.00 174.74 173.31 3gmy s PHE 53 N 0.21 1.99 0.05 1.40 0.08 -0.02 -1.49 117.98 120.20 3gmy s PHE 53 Ca -0.15 -0.72 0.06 0.00 0.12 0.00 0.00 56.93 56.24 3gmy s PHE 53 Cb -0.17 -1.36 -0.03 0.00 -0.57 0.00 0.00 43.02 40.89 3gmy s PHE 53 CO 0.08 -0.30 -0.17 -0.06 -0.10 0.00 0.00 175.22 174.67 3gmy s PHE 54 N 0.33 1.51 0.20 0.36 0.40 -0.71 -0.97 117.98 119.10 3gmy s PHE 54 Ca -0.13 -0.38 0.09 0.00 -0.60 0.00 0.00 56.93 55.91 3gmy s PHE 54 Cb -0.15 -0.88 -0.05 0.00 0.51 0.00 0.00 43.02 42.45 3gmy s PHE 54 CO 0.05 0.08 -0.17 -0.06 0.70 0.00 0.00 175.22 175.82 3gmy s PHE 55 N -0.90 1.85 0.97 0.36 0.40 -1.26 -1.43 117.98 117.96 3gmy s PHE 55 Ca 0.04 -0.49 -0.15 0.00 -0.60 0.00 0.00 56.93 55.73 3gmy s PHE 55 Cb -0.09 -0.87 0.18 0.00 0.51 0.00 0.00 43.02 42.75 3gmy s PHE 55 CO 0.02 0.41 1.20 0.54 0.70 0.00 0.00 175.22 178.08 3gmy s ASN 56 N -3.09 3.00 0.63 1.36 2.20 -0.73 -4.87 114.94 113.44 3gmy s ASN 56 Ca 0.21 0.65 0.37 0.00 -0.94 0.00 0.00 52.86 53.15 3gmy s ASN 56 Cb -0.03 -0.98 2.08 0.00 -2.00 0.00 0.00 41.25 40.32 3gmy s ASN 56 CO 0.08 -2.84 2.28 0.00 -2.94 0.00 0.00 177.10 173.68 3gmy h ALA 57 N -1.70 1.31 0.00 3.54 0.00 -1.98 -0.72 119.26 119.70 3gmy h ALA 57 Ca -0.47 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.44 3gmy h ALA 57 Cb 1.29 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.08 3gmy h ALA 57 CO 0.49 -0.05 0.00 0.00 0.00 0.00 0.00 179.25 179.69 3gmy n ALA 58 N -2.19 2.52 -2.97 0.00 0.00 -1.26 -4.90 120.51 111.72 3gmy n ALA 58 Ca -0.02 -0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.13 3gmy n ALA 58 Cb 0.12 -1.18 0.03 0.00 0.00 0.00 0.00 19.45 18.42 3gmy n ALA 58 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gmy n ASP 59 N -0.68 -6.05 -4.70 0.00 8.00 -0.28 -4.95 116.55 107.89 3gmy n ASP 59 Ca 0.08 -0.27 -0.35 0.00 0.71 0.00 0.00 54.79 54.96 3gmy n ASP 59 Cb 0.04 -4.87 -0.09 0.00 -0.02 0.00 0.00 41.12 36.18 3gmy n ASP 59 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 3gmy s LYS 60 N -5.64 3.32 0.06 -1.24 -0.14 -1.26 -0.72 119.74 114.11 3gmy s LYS 60 Ca 0.28 -0.34 -0.31 0.00 -1.36 0.00 0.00 55.97 54.24 3gmy s LYS 60 Cb -0.12 -2.97 -0.08 0.00 -1.68 0.00 0.00 37.83 32.98 3gmy s LYS 60 CO 0.35 0.61 1.62 -1.17 -0.76 0.00 0.00 175.35 176.00 3gmy s LEU 61 N -0.59 4.36 0.00 3.17 2.96 -1.26 -1.77 118.68 125.54 3gmy s LEU 61 Ca 0.11 2.44 0.00 0.00 -0.22 0.00 0.00 54.13 56.46 3gmy s LEU 61 Cb -0.12 -3.56 0.00 0.00 0.50 0.00 0.00 46.19 43.01 3gmy s LEU 61 CO 0.02 -0.87 0.15 2.30 -1.32 0.00 0.00 176.35 176.63 3gmy n ILE 62 N 4.72 0.00 -3.66 6.68 -5.35 -0.51 -0.47 119.36 120.76 3gmy n ILE 62 Ca 0.16 -0.43 -0.06 0.00 -0.27 0.00 0.00 62.75 62.14 3gmy n ILE 62 Cb 0.41 1.04 -0.08 0.00 -1.74 0.00 0.00 39.64 39.28 3gmy n ILE 62 CO 0.00 0.00 0.00 -2.28 -1.76 0.00 0.00 176.55 172.51 3gmy s HIS 63 N -0.57 -0.98 -0.03 4.28 5.04 -0.95 -0.41 115.29 121.67 3gmy s HIS 63 Ca 0.00 1.82 0.05 0.00 -1.54 0.00 0.00 55.06 55.39 3gmy s HIS 63 Cb 0.00 0.50 -0.03 0.00 0.04 0.00 0.00 32.58 33.09 3gmy s HIS 63 CO 0.00 -0.53 -0.16 0.15 -2.34 0.00 0.00 174.74 171.86 3gmy s LYS 64 N 2.44 2.37 0.05 2.88 1.02 -0.40 -1.74 119.74 126.36 3gmy s LYS 64 Ca -0.05 -0.78 -0.07 0.00 0.02 0.00 0.00 55.97 55.09 3gmy s LYS 64 Cb -0.11 -2.31 -0.01 0.00 -0.52 0.00 0.00 37.83 34.89 3gmy s LYS 64 CO -0.16 0.60 0.13 0.50 -0.92 0.00 0.00 175.35 175.50 3gmy s ARG 65 N -0.90 0.66 0.00 1.68 3.52 -0.56 -1.04 118.95 122.32 3gmy s ARG 65 Ca 0.12 -0.79 0.00 0.00 -0.13 0.00 0.00 55.73 54.93 3gmy s ARG 65 Cb -0.11 0.26 0.00 0.00 -1.56 0.00 0.00 34.95 33.55 3gmy s ARG 65 CO 0.02 -0.18 0.00 0.00 -0.81 0.00 0.00 175.30 174.33 3gmy n GLN 66 N 0.56 0.00 0.00 5.12 -0.00 -0.22 -0.81 117.38 122.04 3gmy n GLN 66 Ca -0.18 0.00 0.00 0.00 -0.00 0.00 0.00 57.00 56.82 3gmy n GLN 66 Cb 0.59 0.00 0.00 0.00 -0.00 0.00 0.00 30.24 30.83 3gmy n GLN 66 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.06 177.45 3gmy n GLU 68 N 0.00 0.00 0.11 2.61 1.02 -1.26 -4.65 120.64 118.47 3gmy n GLU 68 Ca 0.00 0.00 -0.18 0.00 -0.02 0.00 0.00 57.16 56.96 3gmy n GLU 68 Cb 0.00 0.00 -0.15 0.00 -0.02 0.00 0.00 31.44 31.27 3gmy n GLU 68 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3gmy h LEU 69 N 0.00 0.52 -6.57 -4.62 3.38 -1.91 -3.40 115.31 102.71 3gmy h LEU 69 Ca 0.00 -0.59 -0.60 0.00 0.09 0.00 0.00 57.88 56.78 3gmy h LEU 69 Cb 0.00 -0.17 -0.40 0.00 0.09 0.00 0.00 40.66 40.18 3gmy h LEU 69 CO 0.00 1.47 -0.82 0.49 0.09 0.00 0.00 178.44 179.67 3gmy n PHE 70 N -3.56 0.92 -1.44 1.13 3.72 -1.26 -4.80 117.46 112.17 3gmy n PHE 70 Ca -0.12 -3.75 -0.32 0.00 -0.05 0.00 0.00 57.45 53.21 3gmy n PHE 70 Cb 1.05 -0.17 0.08 0.00 -0.94 0.00 0.00 39.48 39.51 3gmy n PHE 70 CO 0.00 0.00 0.00 -1.25 -0.05 0.00 0.00 176.76 175.46 3gmy s PRO 71 N -0.78 2.33 0.14 -1.08 0.04 -1.26 -4.52 135.00 129.86 3gmy s PRO 71 Ca 0.31 1.41 -0.32 0.00 0.04 0.00 0.00 61.00 62.43 3gmy s PRO 71 Cb 0.03 -1.89 -0.12 0.00 0.04 0.00 0.00 34.50 32.56 3gmy s PRO 71 CO -0.17 -1.62 1.76 0.00 0.04 0.00 0.00 177.00 177.01 3gmy n ALA 72 N -2.99 2.09 0.11 8.56 0.00 -1.26 -4.87 120.51 122.15 3gmy n ALA 72 Ca 0.11 0.36 -0.04 0.00 0.00 0.00 0.00 53.44 53.87 3gmy n ALA 72 Cb 0.52 -2.52 0.12 0.00 0.00 0.00 0.00 19.45 17.57 3gmy n ALA 72 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 3gmy h PRO 73 N 7.60 0.10 -2.29 0.00 0.13 -1.73 -3.37 132.00 132.45 3gmy h PRO 73 Ca -0.45 -0.08 -0.58 0.00 -0.87 0.00 0.00 66.00 64.02 3gmy h PRO 73 Cb 1.23 0.02 -0.39 0.00 0.13 0.00 0.00 31.00 31.98 3gmy h PRO 73 CO 0.94 0.73 -0.96 1.63 -0.23 0.00 0.00 178.00 180.11 3gmy n LYS 74 N -3.78 0.70 -1.65 0.86 4.76 -0.14 -5.05 118.16 113.86 3gmy n LYS 74 Ca -0.02 -3.43 -0.42 0.00 -2.87 0.00 0.00 58.31 51.57 3gmy n LYS 74 Cb 0.66 -1.61 -0.03 0.00 -1.84 0.00 0.00 35.03 32.20 3gmy n LYS 74 CO 0.00 0.00 0.00 -2.30 -1.37 0.00 0.00 177.40 173.73 3gmy n PRO 75 N 2.10 2.74 -3.73 1.97 -0.02 -1.26 -3.63 135.00 133.17 3gmy n PRO 75 Ca 0.26 0.98 -0.13 0.00 -2.02 0.00 0.00 63.50 62.58 3gmy n PRO 75 Cb 0.48 -3.05 -0.14 0.00 -0.02 0.00 0.00 33.50 30.77 3gmy n PRO 75 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 3gmy s THR 76 N 5.08 -0.07 0.00 3.45 -4.23 -1.15 -4.36 115.64 114.36 3gmy s THR 76 Ca 0.91 0.17 0.00 0.00 -1.18 0.00 0.00 61.69 61.59 3gmy s THR 76 Cb -0.42 -0.34 0.00 0.00 1.34 0.00 0.00 72.50 73.08 3gmy s THR 76 CO 0.41 0.07 0.00 0.54 -0.54 0.00 0.00 174.62 175.10 3gmy n ARG 78 N 4.32 0.00 0.24 3.99 1.74 -1.26 -4.90 116.66 120.78 3gmy n ARG 78 Ca -0.24 0.00 0.09 0.00 -0.77 0.00 0.00 57.85 56.93 3gmy n ARG 78 Cb 0.52 0.00 0.62 0.00 -1.02 0.00 0.00 32.46 32.59 3gmy n ARG 78 CO 0.00 0.00 0.00 1.25 -1.52 0.00 0.00 177.63 177.36 3gmy h LEU 79 N 0.00 0.00 -1.13 0.55 5.85 -1.30 -1.10 115.31 118.18 3gmy h LEU 79 Ca 0.00 0.00 -0.07 0.00 0.84 0.00 0.00 57.88 58.65 3gmy h LEU 79 Cb 0.00 0.00 -0.01 0.00 0.37 0.00 0.00 40.66 41.02 3gmy h LEU 79 CO 0.00 0.14 -0.14 0.00 -0.34 0.00 0.00 178.44 178.10 3gmy h ALA 80 N 1.86 1.27 -0.28 1.25 0.00 -1.98 -0.59 119.26 120.79 3gmy h ALA 80 Ca -0.00 -0.27 -0.12 0.00 0.00 0.00 0.00 54.91 54.52 3gmy h ALA 80 Cb 0.30 -0.12 -0.00 0.00 0.00 0.00 0.00 17.79 17.96 3gmy h ALA 80 CO 0.02 0.48 -0.27 1.15 0.00 0.00 0.00 179.25 180.63 3gmy h THR 81 N 0.41 1.30 -0.53 0.00 2.02 -1.62 -3.18 112.91 111.32 3gmy h THR 81 Ca 0.07 -1.44 -0.02 0.00 0.77 0.00 0.00 66.41 65.79 3gmy h THR 81 Cb 0.50 1.59 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 3gmy h THR 81 CO 0.03 0.46 0.22 0.22 0.37 0.00 0.00 175.52 176.82 3gmy h TYR 82 N 0.42 0.74 0.00 3.16 3.20 -0.67 -1.01 116.97 122.82 3gmy h TYR 82 Ca 0.05 -0.03 -0.02 0.00 3.14 0.00 0.00 58.73 61.86 3gmy h TYR 82 Cb 0.84 -0.23 -0.00 0.00 1.54 0.00 0.00 36.73 38.87 3gmy h TYR 82 CO 0.07 0.57 -0.11 -0.91 -1.64 0.00 0.00 178.16 176.14 3gmy h ASN 83 N 0.74 0.00 0.59 -2.11 2.35 -1.10 -1.53 115.58 114.52 3gmy h ASN 83 Ca 0.18 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3gmy h ASN 83 Cb 0.13 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.50 3gmy h ASN 83 CO -0.02 0.11 0.00 0.29 -1.65 0.00 0.00 177.43 176.16 3gmy n LYS 84 N -3.54 0.15 -3.45 0.81 5.02 -0.38 -4.82 118.16 111.96 3gmy n LYS 84 Ca -0.02 0.42 -0.31 0.00 -2.02 0.00 0.00 58.31 56.39 3gmy n LYS 84 Cb 0.25 -1.81 -0.05 0.00 -0.02 0.00 0.00 35.03 33.40 3gmy n LYS 84 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3gmy s THR 85 N -3.28 5.01 -0.01 -0.18 -4.23 -0.58 -4.98 115.64 107.39 3gmy s THR 85 Ca 0.04 0.26 -0.17 0.00 -1.18 0.00 0.00 61.69 60.64 3gmy s THR 85 Cb 0.09 -3.65 0.03 0.00 1.34 0.00 0.00 72.50 70.30 3gmy s THR 85 CO 0.34 -0.12 0.35 0.00 -0.54 0.00 0.00 174.62 174.65 3gmy s GLN 86 N -2.99 0.74 0.60 3.99 -2.07 -1.26 -5.06 119.66 113.60 3gmy s GLN 86 Ca 0.45 -0.20 -0.19 0.00 -1.82 0.00 0.00 55.36 53.60 3gmy s GLN 86 Cb -0.11 0.33 -0.03 0.00 -1.09 0.00 0.00 33.01 32.11 3gmy s GLN 86 CO 0.24 -0.22 1.27 0.25 -1.32 0.00 0.00 175.29 175.51 3gmy n THR 87 N 1.10 4.35 -1.23 3.63 -2.24 -1.26 -4.81 114.28 113.81 3gmy n THR 87 Ca -0.21 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.07 3gmy n THR 87 Cb 0.57 -1.50 0.00 0.00 -2.10 0.00 0.00 70.33 67.30 3gmy n THR 87 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3gmy n GLY 88 N 0.92 -0.27 3.55 3.38 0.00 0.88 -4.94 105.19 108.71 3gmy n GLY 88 Ca 0.14 -0.25 -0.26 0.00 0.00 0.00 0.00 46.02 45.65 3gmy n GLY 88 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3gmy s THR 90 N -1.82 1.96 0.27 2.61 -4.23 -1.26 -4.52 115.64 108.64 3gmy s THR 90 Ca 0.00 -2.09 -0.02 0.00 -1.18 0.00 0.00 61.69 58.40 3gmy s THR 90 Cb 0.00 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.33 3gmy s THR 90 CO 0.00 -0.11 1.89 -0.33 -0.54 0.00 0.00 174.62 175.52 3gmy h GLU 91 N 1.96 1.15 -0.69 3.99 5.08 -1.86 -0.39 114.58 123.83 3gmy h GLU 91 Ca -0.42 -0.07 -0.06 0.00 -1.00 0.00 0.00 59.36 57.80 3gmy h GLU 91 Cb 1.24 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 30.21 3gmy h GLU 91 CO 0.74 0.76 0.18 0.00 -1.00 0.00 0.00 179.01 179.69 3gmy h ALA 92 N 1.45 0.91 -0.63 3.43 0.00 -1.99 -0.12 119.26 122.32 3gmy h ALA 92 Ca 0.43 -0.24 -0.08 0.00 0.00 0.00 0.00 54.91 55.02 3gmy h ALA 92 Cb 0.15 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 3gmy h ALA 92 CO -0.17 0.62 0.06 1.96 0.00 0.00 0.00 179.25 181.72 3gmy h GLN 93 N 1.03 1.06 -0.14 0.00 4.20 -1.88 -2.35 115.11 117.03 3gmy h GLN 93 Ca 0.22 -0.30 -0.00 0.00 0.06 0.00 0.00 58.65 58.63 3gmy h GLN 93 Cb 0.36 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 28.01 3gmy h GLN 93 CO 0.00 1.00 0.08 0.35 -0.67 0.00 0.00 178.83 179.59 3gmy h PHE 94 N 0.98 0.18 0.00 2.96 3.57 -0.69 -2.82 116.94 121.13 3gmy h PHE 94 Ca 0.19 -0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.69 3gmy h PHE 94 Cb 0.48 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.16 3gmy h PHE 94 CO 0.03 0.16 0.00 0.91 -2.23 0.00 0.00 178.31 177.18 3gmy n TRP 95 N -4.97 0.00 0.19 0.41 7.02 -0.09 -0.75 117.44 119.25 3gmy n TRP 95 Ca -0.05 0.00 0.08 0.00 -1.02 0.00 0.00 57.50 56.51 3gmy n TRP 95 Cb 0.05 -0.44 0.21 0.00 -2.42 0.00 0.00 31.31 28.71 3gmy n TRP 95 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3gmy h ALA 96 N 2.96 0.87 0.00 6.99 0.00 -1.19 -3.34 119.26 125.54 3gmy h ALA 96 Ca 0.00 -0.24 -0.36 0.00 0.00 0.00 0.00 54.91 54.31 3gmy h ALA 96 Cb 0.38 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.06 3gmy h ALA 96 CO 0.00 0.34 -2.33 0.00 0.00 0.00 0.00 179.25 177.26 3gmy n ALA 97 N -2.18 1.53 -3.95 0.00 0.00 -0.27 -4.93 120.51 110.70 3gmy n ALA 97 Ca 0.02 -1.28 -0.31 0.00 0.00 0.00 0.00 53.44 51.87 3gmy n ALA 97 Cb 0.58 -0.24 -0.16 0.00 0.00 0.00 0.00 19.45 19.62 3gmy n ALA 97 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 3gmy s VAL 98 N -2.52 1.74 0.22 0.00 1.01 0.07 -4.96 120.40 115.96 3gmy s VAL 98 Ca -0.10 -0.75 -0.30 0.00 0.00 0.00 0.00 61.98 60.83 3gmy s VAL 98 Cb 0.06 -1.60 -0.10 0.00 0.00 0.00 0.00 36.38 34.75 3gmy s VAL 98 CO 0.83 0.49 1.41 -2.16 0.00 0.00 0.00 175.10 175.67 3gmy s PRO 99 N 1.29 4.30 0.35 2.72 0.04 -1.26 -4.44 135.00 138.00 3gmy s PRO 99 Ca 0.02 2.23 0.11 0.00 0.04 0.00 0.00 61.00 63.40 3gmy s PRO 99 Cb -0.13 -3.14 0.88 0.00 0.04 0.00 0.00 34.50 32.14 3gmy s PRO 99 CO -0.09 -0.39 1.82 1.03 0.04 0.00 0.00 177.00 179.41 3gmy h SER 100 N 5.32 0.63 0.38 6.66 0.87 -1.94 -1.84 113.55 123.63 3gmy h SER 100 Ca -0.45 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 3gmy h SER 100 Cb 1.22 -0.05 0.00 0.00 -0.44 0.00 0.00 62.40 63.13 3gmy h SER 100 CO 0.79 0.25 0.00 0.44 -0.53 0.00 0.00 176.83 177.78 3gmy h ASP 101 N 0.63 0.00 -0.17 6.23 3.32 -1.90 -1.28 116.42 123.25 3gmy h ASP 101 Ca 0.52 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.57 3gmy h ASP 101 Cb 0.98 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.53 3gmy h ASP 101 CO -0.28 0.00 0.00 1.07 -1.72 0.00 0.00 179.24 178.31 3gmy n THR 102 N -2.56 0.21 -4.42 0.35 5.66 -0.69 -0.97 114.28 111.86 3gmy n THR 102 Ca -0.00 -0.45 -0.27 0.00 -3.05 0.00 0.00 64.05 60.28 3gmy n THR 102 Cb 0.14 0.73 -0.13 0.00 -1.55 0.00 0.00 70.33 69.52 3gmy n THR 102 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 3gmy s SER 104 N -1.82 5.88 -0.95 0.00 0.15 0.96 -4.40 113.70 113.53 3gmy s SER 104 Ca 0.10 0.29 -0.24 0.00 0.70 0.00 0.00 55.95 56.80 3gmy s SER 104 Cb -0.10 -1.85 -0.01 0.00 -1.71 0.00 0.00 66.02 62.35 3gmy s SER 104 CO 0.04 0.36 1.77 0.00 1.20 0.00 0.00 173.24 176.61 3gmy s ALA 105 N -0.73 2.04 -0.07 5.45 0.00 -1.26 -1.94 121.76 125.25 3gmy s ALA 105 Ca 0.12 -1.79 -0.27 0.00 0.00 0.00 0.00 51.96 50.03 3gmy s ALA 105 Cb -0.12 -4.55 -0.23 0.00 0.00 0.00 0.00 23.12 18.23 3gmy s ALA 105 CO 0.03 -4.39 1.07 1.25 0.00 0.00 0.00 175.76 173.72 3gmy h LEU 106 N 16.03 0.02 -7.42 0.00 5.85 -1.50 -3.41 115.31 124.87 3gmy h LEU 106 Ca 0.14 -0.70 -0.07 0.00 0.84 0.00 0.00 57.88 58.08 3gmy h LEU 106 Cb 1.01 -0.01 -0.16 0.00 0.37 0.00 0.00 40.66 41.87 3gmy h LEU 106 CO 1.29 0.71 -0.13 0.00 -0.34 0.00 0.00 178.44 179.97 3gmy s ALA 107 N -3.42 -0.91 -0.02 1.25 0.00 -1.08 -1.05 121.76 116.52 3gmy s ALA 107 Ca -0.17 0.15 0.00 0.00 0.00 0.00 0.00 51.96 51.94 3gmy s ALA 107 Cb -0.00 0.43 0.02 0.00 0.00 0.00 0.00 23.12 23.56 3gmy s ALA 107 CO 0.69 -0.50 -0.00 -2.00 0.00 0.00 0.00 175.76 173.95 3gmy s GLU 108 N -2.85 0.16 -0.01 0.00 2.56 -0.20 -1.03 118.70 117.33 3gmy s GLU 108 Ca -0.03 0.05 -0.01 0.00 0.00 0.00 0.00 54.97 54.97 3gmy s GLU 108 Cb 0.00 -0.30 0.00 0.00 2.00 0.00 0.00 34.13 35.84 3gmy s GLU 108 CO -0.05 -0.07 0.04 -0.65 -0.56 0.00 0.00 175.26 173.97 3gmy s GLN 109 N 0.61 0.06 -0.53 4.30 -0.21 -0.03 -1.28 119.66 122.58 3gmy s GLN 109 Ca -0.06 0.04 0.05 0.00 0.02 0.00 0.00 55.36 55.41 3gmy s GLN 109 Cb -0.08 0.03 0.19 0.00 1.00 0.00 0.00 33.01 34.14 3gmy s GLN 109 CO -0.01 -0.01 0.45 0.66 -2.12 0.00 0.00 175.29 174.26 3gmy n TYR 110 N 3.01 1.02 0.06 0.91 4.01 0.45 -1.03 117.16 125.60 3gmy n TYR 110 Ca -0.12 -3.77 0.17 0.00 -0.16 0.00 0.00 57.90 54.02 3gmy n TYR 110 Cb 0.60 -0.19 0.68 0.00 -0.31 0.00 0.00 39.34 40.11 3gmy n TYR 110 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 3gmy h PRO 111 N 5.23 0.01 -0.61 -0.72 0.11 -1.78 -1.63 132.00 132.61 3gmy h PRO 111 Ca 0.20 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.31 3gmy h PRO 111 Cb 0.83 -0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.94 3gmy h PRO 111 CO 0.55 0.00 0.00 0.09 -0.21 0.00 0.00 178.00 178.43 3gmy n ASN 112 N -4.42 5.31 -4.62 -2.05 5.03 -1.26 -4.98 115.26 108.28 3gmy n ASN 112 Ca 0.07 -2.72 -0.46 0.00 0.87 0.00 0.00 54.58 52.34 3gmy n ASN 112 Cb 0.49 -0.64 -0.02 0.00 -1.02 0.00 0.00 39.78 38.58 3gmy n ASN 112 CO 0.00 0.00 0.00 1.87 -1.83 0.00 0.00 177.26 177.30 3gmy n TRP 113 N 0.83 1.59 1.99 3.10 -0.00 -0.62 -0.90 117.44 123.42 3gmy n TRP 113 Ca 0.27 0.62 0.15 0.00 -0.00 0.00 0.00 57.50 58.54 3gmy n TRP 113 Cb 1.06 -2.32 0.88 0.00 -0.00 0.00 0.00 31.31 30.93 3gmy n TRP 113 CO 0.00 0.00 0.00 -0.35 -0.00 0.00 0.00 177.69 177.34 3gmy n PRO 114 N 1.32 0.99 -3.09 5.87 -0.04 -1.26 -5.07 135.00 133.72 3gmy n PRO 114 Ca 0.11 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.24 3gmy n PRO 114 Cb 0.30 -1.47 -0.06 0.00 -0.04 0.00 0.00 33.50 32.23 3gmy n PRO 114 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 3gmy s ALA 115 N -2.00 3.29 -1.31 0.55 0.00 -0.08 -5.01 121.76 117.20 3gmy s ALA 115 Ca 0.45 0.11 0.12 0.00 0.00 0.00 0.00 51.96 52.63 3gmy s ALA 115 Cb 0.20 -2.83 0.18 0.00 0.00 0.00 0.00 23.12 20.67 3gmy s ALA 115 CO 0.34 0.30 1.02 0.25 0.00 0.00 0.00 175.76 177.67 3gmy n THR 116 N -0.28 0.35 -1.14 0.00 -2.24 -1.26 -4.12 114.28 105.59 3gmy n THR 116 Ca 0.03 -0.68 -0.32 0.00 -2.27 0.00 0.00 64.05 60.82 3gmy n THR 116 Cb 0.53 0.98 0.12 0.00 -2.10 0.00 0.00 70.33 69.86 3gmy n THR 116 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 3gmy s ASN 117 N -1.00 3.90 -0.61 3.42 4.22 -1.26 -3.57 114.94 120.05 3gmy s ASN 117 Ca 0.18 2.11 0.00 0.00 -2.14 0.00 0.00 52.86 53.00 3gmy s ASN 117 Cb 0.11 -2.56 0.00 0.00 1.28 0.00 0.00 41.25 40.08 3gmy s ASN 117 CO 0.16 -2.45 0.00 0.61 -2.04 0.00 0.00 177.10 173.38 3gmy n GLY 118 N -0.23 0.81 3.73 0.45 0.00 -1.26 -4.42 105.19 104.28 3gmy n GLY 118 Ca 0.11 -0.79 -0.42 0.00 0.00 0.00 0.00 46.02 44.92 3gmy n GLY 118 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3gmy s ASN 119 N -2.93 6.64 -0.09 1.61 2.47 -1.23 -4.48 114.94 116.92 3gmy s ASN 119 Ca 0.00 2.64 0.04 0.00 0.42 0.00 0.00 52.86 55.95 3gmy s ASN 119 Cb 0.00 -2.61 -0.01 0.00 -1.45 0.00 0.00 41.25 37.18 3gmy s ASN 119 CO 0.00 -0.74 -0.21 -0.76 -3.72 0.00 0.00 177.10 171.67 3gmy s LEU 120 N 0.17 2.30 -0.14 3.21 1.43 -0.19 -0.79 118.68 124.67 3gmy s LEU 120 Ca 0.63 -0.45 -0.01 0.00 -1.03 0.00 0.00 54.13 53.27 3gmy s LEU 120 Cb -0.42 -1.46 0.03 0.00 0.03 0.00 0.00 46.19 44.37 3gmy s LEU 120 CO 0.39 0.21 -0.06 -0.60 0.23 0.00 0.00 176.35 176.52 3gmy s ARG 121 N 0.08 1.41 -0.01 1.70 3.52 -0.28 -0.85 118.95 124.53 3gmy s ARG 121 Ca -0.09 -0.38 0.05 0.00 -0.13 0.00 0.00 55.73 55.18 3gmy s ARG 121 Cb -0.15 -1.80 -0.03 0.00 -1.56 0.00 0.00 34.95 31.41 3gmy s ARG 121 CO 0.06 -0.37 -0.17 -1.21 -0.81 0.00 0.00 175.30 172.80 3gmy s GLU 122 N 1.68 2.31 0.09 5.12 2.02 -0.20 -0.54 118.70 129.18 3gmy s GLU 122 Ca 0.03 -0.83 0.07 0.00 0.02 0.00 0.00 54.97 54.26 3gmy s GLU 122 Cb -0.14 -2.28 -0.03 0.00 0.10 0.00 0.00 34.13 31.78 3gmy s GLU 122 CO -0.08 0.59 -0.19 0.71 0.02 0.00 0.00 175.26 176.31 3gmy s TYR 123 N -0.80 1.61 -0.05 1.61 2.02 -0.01 -1.42 117.35 120.32 3gmy s TYR 123 Ca 0.13 -0.43 0.04 0.00 -0.37 0.00 0.00 57.07 56.44 3gmy s TYR 123 Cb -0.11 -0.89 -0.00 0.00 -0.40 0.00 0.00 41.96 40.56 3gmy s TYR 123 CO 0.02 0.15 -0.18 0.14 -1.57 0.00 0.00 175.55 174.12 3gmy s VAL 124 N -1.16 1.49 -0.35 0.71 -7.23 -0.82 -1.51 120.40 111.53 3gmy s VAL 124 Ca 0.04 -0.75 0.02 0.00 -1.81 0.00 0.00 61.98 59.48 3gmy s VAL 124 Cb -0.10 -1.29 0.11 0.00 0.56 0.00 0.00 36.38 35.66 3gmy s VAL 124 CO 0.03 0.43 0.11 0.00 -0.31 0.00 0.00 175.10 175.36 3gmy s PRO 126 N 1.11 3.59 0.28 0.00 0.04 -1.22 -1.21 135.00 137.59 3gmy s PRO 126 Ca 0.12 0.55 0.21 0.00 0.04 0.00 0.00 61.00 61.92 3gmy s PRO 126 Cb -0.19 -2.19 0.11 0.00 0.04 0.00 0.00 34.50 32.27 3gmy s PRO 126 CO -0.15 -0.42 1.28 0.66 0.04 0.00 0.00 177.00 178.41 3gmy h SER 127 N -0.07 0.00 -5.01 6.66 4.64 -1.57 -3.04 113.55 115.16 3gmy h SER 127 Ca -0.45 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 60.92 3gmy h SER 127 Cb 1.20 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.24 3gmy h SER 127 CO 0.62 0.15 0.22 -1.59 -0.87 0.00 0.00 176.83 175.35 3gmy s LYS 128 N -3.20 1.85 0.48 4.77 -2.85 -1.26 -3.98 119.74 115.55 3gmy s LYS 128 Ca 0.03 -1.08 0.27 0.00 -1.00 0.00 0.00 55.97 54.19 3gmy s LYS 128 Cb 0.08 0.61 0.77 0.00 -2.06 0.00 0.00 37.83 37.22 3gmy s LYS 128 CO 0.74 -0.85 1.77 0.00 0.10 0.00 0.00 175.35 177.11 3gmy h ALA 129 N 2.01 1.00 -2.89 0.59 0.00 -1.91 -3.45 119.26 114.61 3gmy h ALA 129 Ca -0.21 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.16 3gmy h ALA 129 Cb 1.25 0.00 0.10 0.00 0.00 0.00 0.00 17.79 19.14 3gmy h ALA 129 CO 0.26 0.00 0.59 -2.00 0.00 0.00 0.00 179.25 178.10 3gmy s GLU 130 N -3.39 3.61 0.24 0.00 2.12 -1.26 -4.92 118.70 115.09 3gmy s GLU 130 Ca 0.05 2.11 -0.06 0.00 0.36 0.00 0.00 54.97 57.43 3gmy s GLU 130 Cb 0.07 -2.49 0.45 0.00 0.26 0.00 0.00 34.13 32.42 3gmy s GLU 130 CO 0.61 -0.77 1.67 0.00 -0.54 0.00 0.00 175.26 176.23 3gmy h ARG 131 N 2.07 0.19 -1.19 4.30 3.08 -2.03 -2.63 114.38 118.17 3gmy h ARG 131 Ca -0.50 -0.01 -0.55 0.00 0.07 0.00 0.00 59.98 58.99 3gmy h ARG 131 Cb 1.27 -0.04 -0.24 0.00 0.08 0.00 0.00 29.97 31.04 3gmy h ARG 131 CO 0.60 0.13 0.71 1.19 -1.07 0.00 0.00 179.97 181.53 3gmy n PHE 132 N -5.23 2.63 -2.59 3.04 3.72 -1.26 -5.00 117.46 112.77 3gmy n PHE 132 Ca 0.14 -2.65 -0.37 0.00 -0.05 0.00 0.00 57.45 54.51 3gmy n PHE 132 Cb 0.46 -1.28 -0.05 0.00 -0.94 0.00 0.00 39.48 37.68 3gmy n PHE 132 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 3gmy s ALA 133 N -3.11 3.15 0.31 4.37 0.00 -1.00 -4.97 121.76 120.52 3gmy s ALA 133 Ca 0.53 0.68 -0.28 0.00 0.00 0.00 0.00 51.96 52.89 3gmy s ALA 133 Cb 0.41 -3.26 -0.13 0.00 0.00 0.00 0.00 23.12 20.15 3gmy s ALA 133 CO -0.01 -0.12 1.22 -2.30 0.00 0.00 0.00 175.76 174.55 3gmy n PRO 134 N 0.22 1.88 -3.84 0.00 -0.02 -1.26 -4.79 135.00 127.18 3gmy n PRO 134 Ca 0.04 0.66 -0.09 0.00 -2.02 0.00 0.00 63.50 62.08 3gmy n PRO 134 Cb 0.49 -2.19 -0.06 0.00 -0.02 0.00 0.00 33.50 31.72 3gmy n PRO 134 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 3gmy s SER 135 N -0.31 -0.01 0.25 2.55 0.01 -1.12 -1.49 113.70 113.58 3gmy s SER 135 Ca 0.58 -0.66 0.07 0.00 1.31 0.00 0.00 55.95 57.25 3gmy s SER 135 Cb -0.62 0.42 -0.04 0.00 0.21 0.00 0.00 66.02 66.00 3gmy s SER 135 CO 0.60 -0.85 0.20 0.00 0.41 0.00 0.00 173.24 173.61 3gmy s ALA 136 N -3.89 3.61 -0.04 1.44 0.00 -0.35 -1.16 121.76 121.38 3gmy s ALA 136 Ca 0.09 -1.39 -0.01 0.00 0.00 0.00 0.00 51.96 50.65 3gmy s ALA 136 Cb 0.03 -1.33 0.03 0.00 0.00 0.00 0.00 23.12 21.85 3gmy s ALA 136 CO -0.06 0.27 0.07 0.71 0.00 0.00 0.00 175.76 176.74 3gmy s TYR 137 N -2.10 -0.03 -0.00 0.00 1.51 -0.11 -0.82 117.35 115.80 3gmy s TYR 137 Ca 0.33 0.26 0.00 0.00 -1.01 0.00 0.00 57.07 56.65 3gmy s TYR 137 Cb -0.08 -0.21 -0.00 0.00 -0.11 0.00 0.00 41.96 41.55 3gmy s TYR 137 CO 0.25 -0.13 -0.01 -0.06 -1.11 0.00 0.00 175.55 174.49 3gmy s PHE 138 N 1.23 0.12 -0.07 2.71 0.08 -0.57 -1.28 117.98 120.19 3gmy s PHE 138 Ca -0.08 -0.02 0.01 0.00 0.12 0.00 0.00 56.93 56.96 3gmy s PHE 138 Cb -0.12 -0.07 0.02 0.00 -0.57 0.00 0.00 43.02 42.27 3gmy s PHE 138 CO -0.04 -0.00 -0.07 0.99 -0.10 0.00 0.00 175.22 176.00 3gmy s THR 139 N -0.04 0.78 -0.04 0.64 2.01 -0.51 -0.83 115.64 117.65 3gmy s THR 139 Ca 0.00 -0.22 -0.01 0.00 0.31 0.00 0.00 61.69 61.77 3gmy s THR 139 Cb -0.01 -0.79 -0.04 0.00 0.01 0.00 0.00 72.50 71.68 3gmy s THR 139 CO -0.00 0.29 0.03 -0.36 -0.69 0.00 0.00 174.62 173.90 3gmy s PHE 140 N 1.15 3.20 -0.23 4.92 0.40 0.30 -0.75 117.98 126.97 3gmy s PHE 140 Ca -0.07 0.19 -0.03 0.00 -0.60 0.00 0.00 56.93 56.42 3gmy s PHE 140 Cb -0.14 -1.75 0.01 0.00 0.51 0.00 0.00 43.02 41.64 3gmy s PHE 140 CO -0.01 0.51 -0.05 0.99 0.70 0.00 0.00 175.22 177.35 3gmy s THR 141 N -1.03 3.14 -1.74 0.64 2.01 -0.03 -1.12 115.64 117.52 3gmy s THR 141 Ca 0.18 -0.70 -0.20 0.00 0.31 0.00 0.00 61.69 61.28 3gmy s THR 141 Cb -0.12 -2.48 0.17 0.00 0.01 0.00 0.00 72.50 70.09 3gmy s THR 141 CO 0.08 0.35 0.77 0.47 -0.69 0.00 0.00 174.62 175.59 3gmy n ASP 142 N 4.75 -3.13 0.00 3.53 8.00 0.03 -2.00 116.55 127.72 3gmy n ASP 142 Ca -0.18 -1.05 0.00 0.00 0.71 0.00 0.00 54.79 54.28 3gmy n ASP 142 Cb 0.49 -2.58 0.00 0.00 -0.02 0.00 0.00 41.12 39.01 3gmy n ASP 142 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3gmy n GLY 143 N -1.33 0.74 3.21 0.44 0.00 -1.26 -5.06 105.19 101.93 3gmy n GLY 143 Ca 0.09 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.83 3gmy n GLY 143 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gmy s LYS 144 N -0.62 1.80 -0.18 1.61 -0.14 -0.85 -2.30 119.74 119.07 3gmy s LYS 144 Ca 0.00 -0.74 -0.29 0.00 -1.36 0.00 0.00 55.97 53.58 3gmy s LYS 144 Cb 0.00 -1.68 -0.02 0.00 -1.68 0.00 0.00 37.83 34.45 3gmy s LYS 144 CO 0.00 0.41 1.42 -1.17 -0.76 0.00 0.00 175.35 175.24 3gmy s LEU 145 N -0.36 4.10 -0.03 3.17 2.96 -1.26 -0.85 118.68 126.41 3gmy s LEU 145 Ca 0.05 1.70 0.09 0.00 -0.22 0.00 0.00 54.13 55.75 3gmy s LEU 145 Cb -0.09 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 3gmy s LEU 145 CO 0.00 -0.95 0.15 0.35 -1.32 0.00 0.00 176.35 174.59 3gmy n THR 146 N 5.74 0.15 -4.13 3.68 -2.24 0.07 -0.09 114.28 117.47 3gmy n THR 146 Ca 0.16 -0.25 -0.17 0.00 -2.27 0.00 0.00 64.05 61.52 3gmy n THR 146 Cb 0.45 0.01 -0.15 0.00 -2.10 0.00 0.00 70.33 68.54 3gmy n THR 146 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 3gmy s SER 147 N -3.30 0.69 -0.05 3.42 0.01 -1.00 -4.98 113.70 108.48 3gmy s SER 147 Ca -0.04 -0.09 -0.04 0.00 1.31 0.00 0.00 55.95 57.09 3gmy s SER 147 Cb 0.05 -0.22 0.02 0.00 0.21 0.00 0.00 66.02 66.08 3gmy s SER 147 CO 0.37 -0.00 0.13 0.00 0.41 0.00 0.00 173.24 174.14 3gmy s ARG 148 N 0.41 0.12 0.14 12.44 1.70 -1.26 -1.43 118.95 131.07 3gmy s ARG 148 Ca -0.05 0.23 -0.21 0.00 -0.47 0.00 0.00 55.73 55.24 3gmy s ARG 148 Cb -0.08 -0.02 0.06 0.00 -0.57 0.00 0.00 34.95 34.33 3gmy s ARG 148 CO -0.00 -0.07 0.53 -1.54 -1.08 0.00 0.00 175.30 173.14 3gmy s SER 149 N 0.45 -0.45 -0.05 -2.89 1.04 -0.41 -5.00 113.70 106.39 3gmy s SER 149 Ca -0.03 -0.10 -0.14 0.00 0.48 0.00 0.00 55.95 56.16 3gmy s SER 149 Cb -0.05 0.55 0.03 0.00 0.10 0.00 0.00 66.02 66.65 3gmy s SER 149 CO -0.02 -0.92 0.33 0.00 0.98 0.00 0.00 173.24 173.61 3gmy s GLN 150 N -3.69 0.60 -0.25 4.02 1.03 -1.26 -0.93 119.66 119.18 3gmy s GLN 150 Ca 0.01 0.01 0.01 0.00 0.04 0.00 0.00 55.36 55.43 3gmy s GLN 150 Cb 0.00 0.27 0.04 0.00 0.03 0.00 0.00 33.01 33.35 3gmy s GLN 150 CO -0.12 -0.15 -0.10 0.45 -2.54 0.00 0.00 175.29 172.83 3gmy s SER 151 N -0.89 4.20 -1.23 12.60 0.15 -0.31 -4.82 113.70 123.40 3gmy s SER 151 Ca -0.10 -1.08 0.00 0.00 0.70 0.00 0.00 55.95 55.48 3gmy s SER 151 Cb -0.04 -1.59 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 3gmy s SER 151 CO 0.03 -0.14 0.00 0.00 1.20 0.00 0.00 173.24 174.33 3gmy n GLN 152 N 4.56 -2.09 -1.82 5.44 6.02 -1.26 -2.77 117.38 125.45 3gmy n GLN 152 Ca -0.16 0.70 -0.41 0.00 -0.01 0.00 0.00 57.00 57.12 3gmy n GLN 152 Cb 0.45 -5.31 -0.00 0.00 1.02 0.00 0.00 30.24 26.40 3gmy n GLN 152 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 3gmy s LEU 153 N -5.70 4.32 0.00 1.08 1.43 -1.26 -4.80 118.68 113.75 3gmy s LEU 153 Ca 0.00 3.03 0.30 0.00 -1.03 0.00 0.00 54.13 56.43 3gmy s LEU 153 Cb 0.00 -3.67 1.55 0.00 0.03 0.00 0.00 46.19 44.10 3gmy s LEU 153 CO 0.00 -0.86 2.03 -0.81 0.23 0.00 0.00 176.35 176.94