#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2gmy s THR 3 N 0.00 3.51 -0.14 -0.18 2.01 -1.25 -4.78 115.64 114.81 2gmy s THR 3 Ca 0.00 1.34 -0.26 0.00 0.31 0.00 0.00 61.69 63.08 2gmy s THR 3 Cb 0.00 -3.86 -0.25 0.00 0.01 0.00 0.00 72.50 68.40 2gmy s THR 3 CO 0.00 0.25 0.66 0.03 -0.69 0.00 0.00 174.62 174.86 2gmy h ARG 4 N 4.79 0.05 -3.61 4.92 3.08 -1.16 -3.47 114.38 118.98 2gmy h ARG 4 Ca -0.45 -0.08 -0.25 0.00 0.07 0.00 0.00 59.98 59.27 2gmy h ARG 4 Cb 1.21 0.03 -0.30 0.00 0.08 0.00 0.00 29.97 30.99 2gmy h ARG 4 CO 0.72 1.04 -0.70 0.42 -1.07 0.00 0.00 179.97 180.37 2gmy s ILE 5 N -2.29 -0.02 -1.04 2.04 1.01 -1.25 -5.07 121.20 114.58 2gmy s ILE 5 Ca -0.21 0.09 -0.23 0.00 0.00 0.00 0.00 60.65 60.31 2gmy s ILE 5 Cb -0.00 -0.06 0.05 0.00 0.01 0.00 0.00 42.46 42.46 2gmy s ILE 5 CO 0.69 0.04 1.47 0.21 0.00 0.00 0.00 174.94 177.34 2gmy s ASN 6 N 0.45 6.52 0.26 3.58 3.84 -1.26 -4.87 114.94 123.46 2gmy s ASN 6 Ca -0.04 -1.52 0.03 0.00 0.21 0.00 0.00 52.86 51.55 2gmy s ASN 6 Cb -0.05 -2.57 0.32 0.00 -0.55 0.00 0.00 41.25 38.40 2gmy s ASN 6 CO -0.01 -1.48 1.63 0.10 -2.79 0.00 0.00 177.10 174.54 2gmy h TYR 7 N 9.65 0.40 -0.17 0.43 -0.00 -1.97 -0.93 116.97 124.39 2gmy h TYR 7 Ca 0.22 -0.12 -0.04 0.00 0.00 0.00 0.00 58.73 58.79 2gmy h TYR 7 Cb 1.00 -0.08 -0.01 0.00 0.00 0.00 0.00 36.73 37.64 2gmy h TYR 7 CO 1.29 0.74 -0.05 0.00 -0.00 0.00 0.00 178.16 180.14 2gmy h ALA 8 N 1.24 1.60 0.19 0.10 0.00 -1.89 -2.46 119.26 118.03 2gmy h ALA 8 Ca 0.02 -0.15 -0.35 0.00 0.00 0.00 0.00 54.91 54.42 2gmy h ALA 8 Cb 0.93 -0.09 0.01 0.00 0.00 0.00 0.00 17.79 18.64 2gmy h ALA 8 CO 0.08 0.29 -1.74 0.87 0.00 0.00 0.00 179.25 178.76 2gmy h LYS 9 N 0.25 0.40 -0.55 0.00 1.79 -1.87 -3.15 116.57 113.44 2gmy h LYS 9 Ca 0.06 -0.68 -0.09 0.00 -2.18 0.00 0.00 60.65 57.75 2gmy h LYS 9 Cb 0.26 0.25 -0.02 0.00 -1.58 0.00 0.00 32.23 31.14 2gmy h LYS 9 CO 0.01 1.32 -0.01 0.00 -1.08 0.00 0.00 179.45 179.70 2gmy h ALA 10 N 0.13 0.95 -2.23 3.86 0.00 -1.10 -3.37 119.26 117.51 2gmy h ALA 10 Ca -0.34 -0.29 -0.52 0.00 0.00 0.00 0.00 54.91 53.76 2gmy h ALA 10 Cb 2.10 -0.21 -0.35 0.00 0.00 0.00 0.00 17.79 19.33 2gmy h ALA 10 CO 0.18 0.63 -0.87 0.45 0.00 0.00 0.00 179.25 179.64 2gmy s SER 11 N -6.61 1.42 0.24 0.00 0.15 -0.93 -5.01 113.70 102.96 2gmy s SER 11 Ca -0.11 -2.58 -0.05 0.00 0.70 0.00 0.00 55.95 53.92 2gmy s SER 11 Cb 0.14 -0.08 0.41 0.00 -1.71 0.00 0.00 66.02 64.79 2gmy s SER 11 CO 0.84 -0.20 1.77 -0.65 1.20 0.00 0.00 173.24 176.20 2gmy h PRO 12 N 6.03 0.58 -0.52 5.44 0.11 -1.72 -2.02 132.00 139.91 2gmy h PRO 12 Ca 0.18 -0.03 -0.07 0.00 0.11 0.00 0.00 66.00 66.19 2gmy h PRO 12 Cb 0.96 -0.13 -0.02 0.00 0.11 0.00 0.00 31.00 31.92 2gmy h PRO 12 CO 0.29 0.38 0.05 1.05 -0.21 0.00 0.00 178.00 179.56 2gmy h GLU 13 N 0.59 0.84 -0.28 1.05 9.09 -1.94 0.10 114.58 124.03 2gmy h GLU 13 Ca 0.39 -0.21 -0.04 0.00 0.05 0.00 0.00 59.36 59.55 2gmy h GLU 13 Cb 0.49 -0.11 -0.01 0.00 -1.65 0.00 0.00 28.75 27.47 2gmy h GLU 13 CO -0.32 0.81 0.02 0.00 0.05 0.00 0.00 179.01 179.57 2gmy h ALA 14 N 1.26 0.38 -0.36 1.06 0.00 -1.79 -1.43 119.26 118.38 2gmy h ALA 14 Ca 0.16 -0.21 0.06 0.00 0.00 0.00 0.00 54.91 54.92 2gmy h ALA 14 Cb 0.41 -0.10 -0.05 0.00 0.00 0.00 0.00 17.79 18.04 2gmy h ALA 14 CO 0.01 0.10 0.03 0.35 0.00 0.00 0.00 179.25 179.74 2gmy h PHE 15 N 0.28 0.04 -0.22 0.00 3.57 -1.08 -2.37 116.94 117.16 2gmy h PHE 15 Ca 0.08 0.02 -0.04 0.00 3.53 0.00 0.00 57.97 61.57 2gmy h PHE 15 Cb 0.39 0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.15 2gmy h PHE 15 CO 0.03 -0.03 -0.04 0.87 -2.23 0.00 0.00 178.31 176.91 2gmy h LYS 16 N 0.14 0.33 -0.53 1.11 1.57 -0.80 -0.77 116.57 117.62 2gmy h LYS 16 Ca 0.17 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.84 2gmy h LYS 16 Cb 0.22 -0.05 -0.02 0.00 0.08 0.00 0.00 32.23 32.46 2gmy h LYS 16 CO -0.26 0.40 0.13 0.00 -0.57 0.00 0.00 179.45 179.15 2gmy h ALA 17 N 1.64 0.69 -0.51 3.86 0.00 -0.77 0.28 119.26 124.46 2gmy h ALA 17 Ca 0.07 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.69 2gmy h ALA 17 Cb 0.29 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 2gmy h ALA 17 CO 0.01 0.39 -0.00 0.28 0.00 0.00 0.00 179.25 179.93 2gmy h VAL 18 N 0.74 1.26 -0.32 0.00 2.07 -0.97 -2.86 116.25 116.17 2gmy h VAL 18 Ca 0.17 -1.09 -0.01 0.00 0.82 0.00 0.00 66.70 66.59 2gmy h VAL 18 Cb 0.33 0.96 -0.02 0.00 -1.52 0.00 0.00 31.29 31.04 2gmy h VAL 18 CO 0.00 0.38 0.14 -0.03 0.02 0.00 0.00 177.57 178.08 2gmy h MET 19 N 0.76 0.44 -0.61 1.57 -1.53 -0.91 -1.47 114.93 113.18 2gmy h MET 19 Ca 0.14 -0.05 -0.02 0.00 -3.44 0.00 0.00 59.70 56.34 2gmy h MET 19 Cb 0.52 -0.09 -0.03 0.00 -0.55 0.00 0.00 31.60 31.46 2gmy h MET 19 CO 0.03 0.35 0.29 0.00 0.14 0.00 0.00 176.91 177.72 2gmy h ALA 20 N 1.72 0.78 -0.47 0.39 0.00 -0.73 0.16 119.26 121.11 2gmy h ALA 20 Ca 0.11 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 2gmy h ALA 20 Cb 0.07 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.60 2gmy h ALA 20 CO -0.01 0.34 0.20 1.25 0.00 0.00 0.00 179.25 181.03 2gmy h LEU 21 N 0.83 0.64 -0.50 0.00 5.85 -1.20 -1.42 115.31 119.51 2gmy h LEU 21 Ca 0.21 -0.16 0.07 0.00 0.84 0.00 0.00 57.88 58.84 2gmy h LEU 21 Cb 0.12 -0.16 -0.06 0.00 0.37 0.00 0.00 40.66 40.92 2gmy h LEU 21 CO -0.03 0.62 0.17 -0.08 -0.34 0.00 0.00 178.44 178.78 2gmy h GLU 22 N 0.61 0.34 -0.44 1.25 4.57 -0.95 -1.25 114.58 118.71 2gmy h GLU 22 Ca 0.16 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.27 2gmy h GLU 22 Cb 0.17 -0.08 -0.02 0.00 -0.16 0.00 0.00 28.75 28.66 2gmy h GLU 22 CO -0.02 0.22 0.09 -0.91 -1.18 0.00 0.00 179.01 177.21 2gmy h ASN 23 N 0.35 0.61 0.03 1.04 2.35 -0.39 -1.10 115.58 118.47 2gmy h ASN 23 Ca 0.24 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.89 2gmy h ASN 23 Cb 0.26 -0.16 0.00 0.00 0.05 0.00 0.00 38.32 38.47 2gmy h ASN 23 CO -0.25 0.63 -0.01 0.22 -1.65 0.00 0.00 177.43 176.37 2gmy h TYR 24 N 0.64 -0.04 -0.40 1.19 3.20 -0.80 -2.52 116.97 118.24 2gmy h TYR 24 Ca 0.14 -0.00 0.08 0.00 3.14 0.00 0.00 58.73 62.09 2gmy h TYR 24 Cb 0.27 0.01 -0.08 0.00 1.54 0.00 0.00 36.73 38.48 2gmy h TYR 24 CO 0.01 0.05 -0.11 0.28 -1.64 0.00 0.00 178.16 176.75 2gmy h VAL 25 N -0.12 0.58 -0.69 1.81 2.07 -0.54 -0.29 116.25 119.08 2gmy h VAL 25 Ca -0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 2gmy h VAL 25 Cb 0.10 0.58 -0.04 0.00 -1.52 0.00 0.00 31.29 30.41 2gmy h VAL 25 CO 0.01 0.00 0.45 1.56 0.02 0.00 0.00 177.57 179.61 2gmy h GLN 26 N -0.02 0.73 -0.55 1.57 1.08 -1.12 -1.75 115.11 115.06 2gmy h GLN 26 Ca 0.19 -0.04 0.00 0.00 -1.45 0.00 0.00 58.65 57.35 2gmy h GLN 26 Cb 0.31 -0.16 0.00 0.00 -0.05 0.00 0.00 27.48 27.58 2gmy h GLN 26 CO -0.42 0.48 0.00 0.43 -0.95 0.00 0.00 178.83 178.37 2gmy n SER 27 N -4.47 3.38 0.25 1.46 7.64 -0.70 -4.59 113.62 116.59 2gmy n SER 27 Ca 0.09 -1.98 0.12 0.00 1.01 0.00 0.00 58.87 58.12 2gmy n SER 27 Cb 0.19 -0.36 0.64 0.00 -1.01 0.00 0.00 64.21 63.67 2gmy n SER 27 CO 0.00 0.00 0.00 0.77 -3.01 0.00 0.00 175.04 172.80 2gmy h SER 28 N 3.93 0.00 0.00 6.43 4.64 -0.13 -3.46 113.55 124.96 2gmy h SER 28 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2gmy h SER 28 Cb 0.89 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 2gmy h SER 28 CO 0.00 0.15 0.00 0.61 -0.87 0.00 0.00 176.83 176.72 2gmy n GLY 29 N -0.37 1.19 3.77 -0.77 0.00 -1.26 -5.09 105.19 102.66 2gmy n GLY 29 Ca -0.01 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.61 2gmy n GLY 29 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gmy s LEU 30 N 0.00 4.17 0.23 0.99 1.43 -1.26 -4.93 118.68 119.30 2gmy s LEU 30 Ca 0.00 2.86 -0.32 0.00 -1.03 0.00 0.00 54.13 55.65 2gmy s LEU 30 Cb 0.00 -3.89 -0.13 0.00 0.03 0.00 0.00 46.19 42.20 2gmy s LEU 30 CO 0.00 -1.05 1.46 -0.62 0.23 0.00 0.00 176.35 176.38 2gmy n GLU 31 N -0.02 2.13 -0.14 1.70 1.02 -1.26 -4.85 120.64 119.22 2gmy n GLU 31 Ca 0.04 0.76 0.09 0.00 -0.02 0.00 0.00 57.16 58.03 2gmy n GLU 31 Cb 0.42 -2.45 0.42 0.00 -0.02 0.00 0.00 31.44 29.81 2gmy n GLU 31 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 2gmy h HIS 32 N 4.63 0.62 -0.86 -0.32 3.86 -1.97 -0.51 115.15 120.61 2gmy h HIS 32 Ca -0.45 0.02 0.11 0.00 -1.16 0.00 0.00 60.37 58.89 2gmy h HIS 32 Cb 1.27 -0.20 -0.08 0.00 1.06 0.00 0.00 27.41 29.45 2gmy h HIS 32 CO 0.58 0.31 0.49 -0.09 0.86 0.00 0.00 177.93 180.08 2gmy h ARG 33 N 0.60 0.77 -0.11 2.45 2.43 -1.99 0.95 114.38 119.48 2gmy h ARG 33 Ca 0.30 -0.05 -0.20 0.00 -0.81 0.00 0.00 59.98 59.22 2gmy h ARG 33 Cb 0.40 -0.17 0.00 0.00 -0.42 0.00 0.00 29.97 29.78 2gmy h ARG 33 CO -0.10 0.51 -0.76 0.74 -1.51 0.00 0.00 179.97 178.85 2gmy h PHE 34 N 0.79 0.79 -0.28 2.20 0.04 -1.47 -1.63 116.94 117.37 2gmy h PHE 34 Ca 0.43 -0.35 -0.01 0.00 2.80 0.00 0.00 57.97 60.85 2gmy h PHE 34 Cb 0.46 -0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.47 2gmy h PHE 34 CO -0.06 1.14 0.16 0.82 -0.60 0.00 0.00 178.31 179.77 2gmy h ILE 35 N 0.39 1.12 -0.65 -0.55 2.04 -0.89 -0.39 117.51 118.58 2gmy h ILE 35 Ca -0.04 -0.32 0.05 0.00 1.00 0.00 0.00 64.86 65.55 2gmy h ILE 35 Cb 1.36 0.82 -0.05 0.00 -0.74 0.00 0.00 36.82 38.21 2gmy h ILE 35 CO 0.14 0.12 0.37 0.45 0.00 0.00 0.00 178.15 179.23 2gmy h HIS 36 N 0.35 0.68 -0.27 1.37 3.86 -0.76 -1.26 115.15 119.11 2gmy h HIS 36 Ca 0.10 0.02 -0.01 0.00 -1.16 0.00 0.00 60.37 59.32 2gmy h HIS 36 Cb 0.06 -0.21 -0.01 0.00 1.06 0.00 0.00 27.41 28.31 2gmy h HIS 36 CO -0.03 0.33 0.12 1.25 0.86 0.00 0.00 177.93 180.46 2gmy h LEU 37 N 0.69 0.36 -0.36 2.43 6.46 -1.04 0.14 115.31 123.99 2gmy h LEU 37 Ca 0.29 -0.14 0.01 0.00 -0.12 0.00 0.00 57.88 57.92 2gmy h LEU 37 Cb 0.16 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 39.98 2gmy h LEU 37 CO -0.17 0.40 0.23 0.40 -0.62 0.00 0.00 178.44 178.67 2gmy h ILE 38 N 0.30 1.07 -0.15 4.05 2.04 -0.77 -0.48 117.51 123.57 2gmy h ILE 38 Ca 0.09 -0.16 -0.04 0.00 1.00 0.00 0.00 64.86 65.75 2gmy h ILE 38 Cb 0.14 0.57 -0.00 0.00 -0.74 0.00 0.00 36.82 36.79 2gmy h ILE 38 CO -0.01 0.08 -0.08 0.11 0.00 0.00 0.00 178.15 178.26 2gmy h LYS 39 N 0.46 0.33 0.02 2.37 1.57 -1.05 -2.10 116.57 118.16 2gmy h LYS 39 Ca 0.13 -0.14 -0.00 0.00 -1.87 0.00 0.00 60.65 58.77 2gmy h LYS 39 Cb -0.03 -0.01 0.00 0.00 0.08 0.00 0.00 32.23 32.27 2gmy h LYS 39 CO -0.04 0.65 -0.01 1.25 -0.57 0.00 0.00 179.45 180.73 2gmy h LEU 40 N -0.01 -0.02 -0.25 2.94 5.85 -0.89 -2.21 115.31 120.72 2gmy h LEU 40 Ca 0.03 -0.18 -0.01 0.00 0.84 0.00 0.00 57.88 58.56 2gmy h LEU 40 Cb 0.55 0.01 -0.01 0.00 0.37 0.00 0.00 40.66 41.58 2gmy h LEU 40 CO 0.02 0.17 0.12 -0.09 -0.34 0.00 0.00 178.44 178.33 2gmy h ARG 41 N -0.21 0.35 -0.87 1.25 9.65 -1.12 -1.76 114.38 121.67 2gmy h ARG 41 Ca -0.00 -0.05 -0.00 0.00 -1.10 0.00 0.00 59.98 58.82 2gmy h ARG 41 Cb 0.20 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 28.67 2gmy h ARG 41 CO 0.00 0.35 0.54 0.00 2.80 0.00 0.00 179.97 183.66 2gmy h ALA 42 N 0.99 1.11 -0.43 2.80 0.00 -1.42 -1.81 119.26 120.49 2gmy h ALA 42 Ca 0.09 -0.09 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 2gmy h ALA 42 Cb 0.11 -0.35 -0.02 0.00 0.00 0.00 0.00 17.79 17.53 2gmy h ALA 42 CO -0.01 0.56 -0.00 0.77 0.00 0.00 0.00 179.25 180.57 2gmy h SER 43 N 1.19 0.67 0.08 0.00 0.02 -1.16 -1.04 113.55 113.31 2gmy h SER 43 Ca 0.31 -0.15 -0.00 0.00 -0.84 0.00 0.00 61.79 61.11 2gmy h SER 43 Cb -0.07 -0.18 0.00 0.00 0.14 0.00 0.00 62.40 62.30 2gmy h SER 43 CO -0.06 0.74 -0.04 0.40 -1.14 0.00 0.00 176.83 176.73 2gmy h ILE 44 N 0.66 1.04 -0.73 3.27 2.04 -0.94 -0.15 117.51 122.70 2gmy h ILE 44 Ca 0.13 -0.39 0.11 0.00 1.00 0.00 0.00 64.86 65.72 2gmy h ILE 44 Cb 0.41 1.29 -0.08 0.00 -0.74 0.00 0.00 36.82 37.70 2gmy h ILE 44 CO 0.02 0.10 0.33 0.40 0.00 0.00 0.00 178.15 179.00 2gmy h ILE 45 N -0.27 0.78 -0.00 -0.67 2.04 -1.01 -2.01 117.51 116.36 2gmy h ILE 45 Ca -0.01 -0.19 0.00 0.00 1.00 0.00 0.00 64.86 65.66 2gmy h ILE 45 Cb 0.24 0.19 0.00 0.00 -0.74 0.00 0.00 36.82 36.50 2gmy h ILE 45 CO 0.02 0.10 -0.01 0.59 0.00 0.00 0.00 178.15 178.84 2gmy n ASN 46 N -4.91 0.36 -0.59 1.72 3.02 -0.42 -4.90 115.26 109.53 2gmy n ASN 46 Ca 0.12 -0.99 -0.07 0.00 -0.03 0.00 0.00 54.58 53.62 2gmy n ASN 46 Cb 0.33 -0.03 -0.02 0.00 -0.61 0.00 0.00 39.78 39.44 2gmy n ASN 46 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2gmy n GLY 47 N 1.09 0.75 3.41 7.41 0.00 -0.71 -4.96 105.19 112.18 2gmy n GLY 47 Ca 0.21 -0.71 -0.45 0.00 0.00 0.00 0.00 46.02 45.08 2gmy n GLY 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gmy h ALA 49 N 8.79 1.21 -0.44 0.00 0.00 -1.93 -0.16 119.26 126.73 2gmy h ALA 49 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2gmy h ALA 49 Cb 1.04 -0.28 -0.06 0.00 0.00 0.00 0.00 17.79 18.50 2gmy h ALA 49 CO 1.05 0.58 0.09 0.35 0.00 0.00 0.00 179.25 181.32 2gmy h PHE 50 N 0.99 0.14 0.05 0.00 3.57 -1.89 -0.29 116.94 119.50 2gmy h PHE 50 Ca 0.23 0.03 -0.25 0.00 3.53 0.00 0.00 57.97 61.51 2gmy h PHE 50 Cb 0.17 0.00 0.01 0.00 2.79 0.00 0.00 35.95 38.92 2gmy h PHE 50 CO 0.01 0.01 -1.06 0.00 -2.23 0.00 0.00 178.31 175.04 2gmy h VAL 52 N 0.23 1.06 -0.34 0.00 2.07 -0.81 0.37 116.25 118.83 2gmy h VAL 52 Ca -0.12 -0.17 0.04 0.00 0.82 0.00 0.00 66.70 67.28 2gmy h VAL 52 Cb 1.72 0.52 -0.04 0.00 -1.52 0.00 0.00 31.29 31.97 2gmy h VAL 52 CO 0.19 0.09 0.11 -0.78 0.02 0.00 0.00 177.57 177.20 2gmy h ASP 53 N 0.50 0.10 -0.31 0.57 3.58 -1.08 0.69 116.42 120.47 2gmy h ASP 53 Ca 0.16 0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.64 2gmy h ASP 53 Cb -0.01 0.03 -0.01 0.00 1.72 0.00 0.00 39.33 41.06 2gmy h ASP 53 CO -0.06 0.10 0.17 -0.03 -2.88 0.00 0.00 179.24 176.54 2gmy h MET 54 N 0.25 0.44 0.00 0.28 4.05 -1.27 -2.52 114.93 116.16 2gmy h MET 54 Ca 0.15 -0.05 -0.13 0.00 -0.28 0.00 0.00 59.70 59.39 2gmy h MET 54 Cb 0.14 -0.09 -0.02 0.00 -0.80 0.00 0.00 31.60 30.83 2gmy h MET 54 CO -0.17 0.37 -0.61 0.45 0.23 0.00 0.00 176.91 177.18 2gmy h HIS 55 N 0.39 0.00 -0.22 1.39 3.86 -0.55 -0.67 115.15 119.34 2gmy h HIS 55 Ca 0.11 0.00 -0.00 0.00 -1.16 0.00 0.00 60.37 59.32 2gmy h HIS 55 Cb 0.06 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 28.52 2gmy h HIS 55 CO -0.03 0.61 0.13 0.28 0.86 0.00 0.00 177.93 179.79 2gmy h VAL 56 N 0.00 1.09 -0.69 2.45 2.07 -0.85 -0.87 116.25 119.44 2gmy h VAL 56 Ca -0.01 -0.22 -0.06 0.00 0.82 0.00 0.00 66.70 67.24 2gmy h VAL 56 Cb 1.40 0.83 -0.03 0.00 -1.52 0.00 0.00 31.29 31.98 2gmy h VAL 56 CO 0.08 0.09 0.19 0.11 0.02 0.00 0.00 177.57 178.05 2gmy h LYS 57 N 0.27 1.10 -0.50 1.57 1.57 -1.05 -1.42 116.57 118.11 2gmy h LYS 57 Ca 0.08 -0.25 -0.12 0.00 -1.87 0.00 0.00 60.65 58.48 2gmy h LYS 57 Cb 0.02 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.17 2gmy h LYS 57 CO -0.01 0.96 -0.16 0.93 -0.57 0.00 0.00 179.45 180.60 2gmy h GLU 58 N 1.03 0.99 -0.53 3.15 5.08 -1.06 -1.45 114.58 121.79 2gmy h GLU 58 Ca 0.22 -0.40 -0.02 0.00 -1.00 0.00 0.00 59.36 58.16 2gmy h GLU 58 Cb 0.35 -0.05 -0.02 0.00 0.50 0.00 0.00 28.75 29.53 2gmy h GLU 58 CO -0.00 1.08 0.25 0.77 -1.00 0.00 0.00 179.01 180.11 2gmy h SER 59 N 0.85 0.70 -0.45 1.42 0.02 -0.96 -2.50 113.55 112.64 2gmy h SER 59 Ca 0.12 -0.13 -0.03 0.00 -0.84 0.00 0.00 61.79 60.91 2gmy h SER 59 Cb 0.74 -0.18 -0.02 0.00 0.14 0.00 0.00 62.40 63.08 2gmy h SER 59 CO 0.06 0.63 0.17 -0.09 -1.14 0.00 0.00 176.83 176.46 2gmy h ARG 60 N 0.71 0.68 -0.37 3.45 2.43 -1.10 -2.08 114.38 118.10 2gmy h ARG 60 Ca 0.18 -0.13 0.04 0.00 -0.81 0.00 0.00 59.98 59.26 2gmy h ARG 60 Cb 0.13 -0.11 -0.02 0.00 -0.42 0.00 0.00 29.97 29.55 2gmy h ARG 60 CO -0.02 0.63 0.25 1.25 -1.51 0.00 0.00 179.97 180.57 2gmy h HIS 61 N 0.59 0.33 -0.31 2.20 2.76 -1.09 -1.24 115.15 118.37 2gmy h HIS 61 Ca 0.15 0.01 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 2gmy h HIS 61 Cb 0.22 -0.11 0.00 0.00 1.55 0.00 0.00 27.41 29.07 2gmy h HIS 61 CO 0.01 0.19 0.00 -0.25 -1.30 0.00 0.00 177.93 176.57 2gmy n ASP 62 N -4.48 1.81 0.00 3.26 9.92 -0.96 -4.93 116.55 121.18 2gmy n ASP 62 Ca 0.04 -1.94 0.00 0.00 -0.53 0.00 0.00 54.79 52.36 2gmy n ASP 62 Cb 0.19 -0.21 0.00 0.00 -0.64 0.00 0.00 41.12 40.46 2gmy n ASP 62 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 2gmy n GLY 63 N 1.07 0.63 3.77 0.44 0.00 -0.47 -5.04 105.19 105.59 2gmy n GLY 63 Ca 0.13 -0.08 -0.40 0.00 0.00 0.00 0.00 46.02 45.66 2gmy n GLY 63 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2gmy s LEU 64 N 0.00 4.42 0.73 0.99 1.43 -0.82 -4.99 118.68 120.45 2gmy s LEU 64 Ca 0.00 2.57 -0.13 0.00 -1.03 0.00 0.00 54.13 55.54 2gmy s LEU 64 Cb 0.00 -3.70 0.04 0.00 0.03 0.00 0.00 46.19 42.56 2gmy s LEU 64 CO 0.00 -0.49 1.12 -0.94 0.23 0.00 0.00 176.35 176.27 2gmy s SER 65 N -0.64 4.53 0.37 2.29 1.04 -1.26 -4.52 113.70 115.52 2gmy s SER 65 Ca 0.49 2.02 0.06 0.00 0.48 0.00 0.00 55.95 59.00 2gmy s SER 65 Cb -0.37 -2.55 0.74 0.00 0.10 0.00 0.00 66.02 63.93 2gmy s SER 65 CO 0.49 -2.02 1.96 -0.33 0.98 0.00 0.00 173.24 174.32 2gmy h GLU 66 N -0.61 0.50 -0.23 4.02 4.39 -1.99 -1.69 114.58 118.98 2gmy h GLU 66 Ca -0.45 -0.07 -0.02 0.00 0.34 0.00 0.00 59.36 59.15 2gmy h GLU 66 Cb 1.25 -0.09 -0.01 0.00 -0.10 0.00 0.00 28.75 29.80 2gmy h GLU 66 CO 0.51 0.45 0.05 1.96 -1.16 0.00 0.00 179.01 180.82 2gmy h GLN 67 N 0.50 0.37 -0.81 2.33 4.20 -1.98 0.25 115.11 119.97 2gmy h GLN 67 Ca 0.12 -0.09 0.11 0.00 0.06 0.00 0.00 58.65 58.85 2gmy h GLN 67 Cb 0.16 -0.05 -0.08 0.00 0.30 0.00 0.00 27.48 27.81 2gmy h GLN 67 CO -0.01 0.48 0.44 2.35 -0.67 0.00 0.00 178.83 181.42 2gmy h TRP 68 N 0.19 0.78 0.08 2.96 7.01 -1.86 0.28 115.95 125.39 2gmy h TRP 68 Ca 0.07 0.03 -0.00 0.00 2.11 0.00 0.00 58.89 61.10 2gmy h TRP 68 Cb 0.28 -0.23 0.00 0.00 -2.10 0.00 0.00 29.16 27.11 2gmy h TRP 68 CO 0.01 0.28 -0.04 0.82 -2.79 0.00 0.00 178.44 176.72 2gmy h ILE 69 N 0.70 1.16 -0.01 2.65 2.04 -1.09 -3.29 117.51 119.68 2gmy h ILE 69 Ca 0.40 -0.98 -0.12 0.00 1.00 0.00 0.00 64.86 65.17 2gmy h ILE 69 Cb 0.44 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 38.29 2gmy h ILE 69 CO -0.28 0.24 -0.54 0.78 0.00 0.00 0.00 178.15 178.34 2gmy h ASN 70 N -0.57 0.03 0.08 1.72 4.21 -0.20 -3.06 115.58 117.79 2gmy h ASN 70 Ca -0.01 -0.01 0.00 0.00 1.21 0.00 0.00 56.30 57.48 2gmy h ASN 70 Cb 0.47 -0.01 0.00 0.00 -1.12 0.00 0.00 38.32 37.67 2gmy h ASN 70 CO 0.02 0.56 -0.04 0.18 -1.29 0.00 0.00 177.43 176.86 2gmy n LEU 71 N -3.90 0.84 0.23 1.61 7.99 0.06 -4.11 117.00 119.73 2gmy n LEU 71 Ca -0.01 -0.24 0.06 0.00 -0.01 0.00 0.00 56.01 55.81 2gmy n LEU 71 Cb 0.55 -0.04 0.53 0.00 -0.11 0.00 0.00 43.42 44.35 2gmy n LEU 71 CO 0.41 0.14 0.91 -0.03 -1.51 0.00 0.00 177.39 177.31 2gmy h MET 72 N 1.26 0.00 0.00 3.23 4.05 -1.60 -0.56 114.93 121.31 2gmy h MET 72 Ca 0.00 0.00 0.00 0.00 -0.28 0.00 0.00 59.70 59.42 2gmy h MET 72 Cb 0.33 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.13 2gmy h MET 72 CO 0.00 0.18 0.00 0.66 0.23 0.00 0.00 176.91 177.98 2gmy h SER 73 N 0.00 0.00 -0.41 1.39 4.64 -1.82 -3.27 113.55 114.09 2gmy h SER 73 Ca -0.00 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 61.06 2gmy h SER 73 Cb 0.33 0.00 -0.40 0.00 -0.31 0.00 0.00 62.40 62.03 2gmy h SER 73 CO 0.02 0.00 -1.09 1.33 -0.87 0.00 0.00 176.83 176.23 2gmy n VAL 74 N -2.68 1.24 0.23 0.95 0.24 -0.28 -4.96 118.33 113.08 2gmy n VAL 74 Ca 0.01 -2.83 0.06 0.00 -2.04 0.00 0.00 64.34 59.54 2gmy n VAL 74 Cb 0.22 1.10 0.55 0.00 -1.47 0.00 0.00 33.84 34.25 2gmy n VAL 74 CO 0.00 0.00 0.00 4.11 -2.14 0.00 0.00 176.83 178.80 2gmy h TRP 75 N 2.42 0.01 -0.49 6.34 5.08 -1.45 -2.85 115.95 125.00 2gmy h TRP 75 Ca -0.11 -0.00 0.05 0.00 1.08 0.00 0.00 58.89 59.91 2gmy h TRP 75 Cb 1.35 -0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 27.48 2gmy h TRP 75 CO 0.50 0.11 0.33 -0.09 -1.28 0.00 0.00 178.44 178.01 2gmy h ARG 76 N 0.01 0.46 -0.58 0.12 2.43 -1.91 -1.69 114.38 113.21 2gmy h ARG 76 Ca 0.00 -0.03 0.00 0.00 -0.81 0.00 0.00 59.98 59.14 2gmy h ARG 76 Cb 0.19 -0.10 0.00 0.00 -0.42 0.00 0.00 29.97 29.64 2gmy h ARG 76 CO 0.01 0.30 0.00 0.39 -1.51 0.00 0.00 179.97 179.17 2gmy n GLU 77 N -4.48 2.63 -3.99 0.20 -0.58 -1.08 -4.94 120.64 108.41 2gmy n GLU 77 Ca 0.06 -2.49 -0.35 0.00 -0.42 0.00 0.00 57.16 53.96 2gmy n GLU 77 Cb 0.21 -1.53 -0.11 0.00 -0.57 0.00 0.00 31.44 29.44 2gmy n GLU 77 CO 0.00 0.00 0.00 0.45 -0.48 0.00 0.00 177.13 177.10 2gmy s SER 78 N -1.19 5.42 0.00 1.62 0.15 -0.64 -4.98 113.70 114.08 2gmy s SER 78 Ca 0.44 -0.02 0.15 0.00 0.70 0.00 0.00 55.95 57.22 2gmy s SER 78 Cb 0.24 -1.94 0.91 0.00 -1.71 0.00 0.00 66.02 63.52 2gmy s SER 78 CO 0.32 0.12 1.45 -0.81 1.20 0.00 0.00 173.24 175.52 2gmy n PRO 79 N 3.92 0.81 -0.33 5.44 -0.04 -1.26 -3.84 135.00 139.69 2gmy n PRO 79 Ca -0.16 0.00 -0.04 0.00 -0.04 0.00 0.00 63.50 63.26 2gmy n PRO 79 Cb 0.52 -1.30 0.09 0.00 -0.04 0.00 0.00 33.50 32.77 2gmy n PRO 79 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 2gmy h VAL 80 N 0.00 1.25 -3.58 0.52 2.07 -1.94 -3.45 116.25 111.12 2gmy h VAL 80 Ca 0.00 -0.55 -0.52 0.00 0.82 0.00 0.00 66.70 66.46 2gmy h VAL 80 Cb 0.00 0.01 -0.03 0.00 -1.52 0.00 0.00 31.29 29.75 2gmy h VAL 80 CO 0.00 0.26 0.17 -0.31 0.02 0.00 0.00 177.57 177.71 2gmy s TYR 81 N -5.95 3.79 0.88 1.57 2.02 -1.25 -5.04 117.35 113.37 2gmy s TYR 81 Ca -0.13 1.57 -0.12 0.00 -0.37 0.00 0.00 57.07 58.02 2gmy s TYR 81 Cb 0.17 -2.73 0.12 0.00 -0.40 0.00 0.00 41.96 39.11 2gmy s TYR 81 CO 0.81 0.42 1.10 0.95 -1.57 0.00 0.00 175.55 177.26 2gmy s THR 82 N -1.33 2.64 0.31 -0.71 -4.23 -1.26 -4.78 115.64 106.26 2gmy s THR 82 Ca 0.40 0.21 -0.00 0.00 -1.18 0.00 0.00 61.69 61.11 2gmy s THR 82 Cb -0.20 -2.78 0.27 0.00 1.34 0.00 0.00 72.50 71.13 2gmy s THR 82 CO 0.24 -0.27 1.94 -0.33 -0.54 0.00 0.00 174.62 175.66 2gmy h GLU 83 N -1.47 1.02 -0.40 3.99 4.39 -1.99 0.57 114.58 120.69 2gmy h GLU 83 Ca -0.50 -0.06 -0.08 0.00 0.34 0.00 0.00 59.36 59.07 2gmy h GLU 83 Cb 1.29 -0.23 -0.01 0.00 -0.10 0.00 0.00 28.75 29.70 2gmy h GLU 83 CO 0.57 0.67 -0.05 0.37 -1.16 0.00 0.00 179.01 179.41 2gmy h GLN 84 N 1.05 0.75 -0.88 2.33 4.15 -1.99 -1.14 115.11 119.38 2gmy h GLN 84 Ca 0.35 -0.26 0.01 0.00 0.77 0.00 0.00 58.65 59.51 2gmy h GLN 84 Cb 0.06 -0.05 -0.04 0.00 0.21 0.00 0.00 27.48 27.65 2gmy h GLN 84 CO -0.11 0.86 0.58 0.93 -1.93 0.00 0.00 178.83 179.17 2gmy h GLU 85 N 0.57 1.15 -0.67 1.69 5.08 -1.75 -1.44 114.58 119.20 2gmy h GLU 85 Ca 0.11 -0.07 -0.05 0.00 -1.00 0.00 0.00 59.36 58.35 2gmy h GLU 85 Cb 0.56 -0.26 -0.03 0.00 0.50 0.00 0.00 28.75 29.52 2gmy h GLU 85 CO 0.03 0.76 0.21 0.00 -1.00 0.00 0.00 179.01 179.01 2gmy h ARG 86 N 1.18 1.03 -0.23 2.33 3.08 -0.64 0.17 114.38 121.31 2gmy h ARG 86 Ca 0.33 -0.21 0.00 0.00 0.07 0.00 0.00 59.98 60.17 2gmy h ARG 86 Cb -0.12 -0.16 -0.01 0.00 0.08 0.00 0.00 29.97 29.76 2gmy h ARG 86 CO -0.08 0.88 0.15 0.00 -1.07 0.00 0.00 179.97 179.85 2gmy h ALA 87 N 1.23 0.29 -0.09 0.04 0.00 -0.76 -0.85 119.26 119.13 2gmy h ALA 87 Ca 0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.11 2gmy h ALA 87 Cb 0.28 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 17.98 2gmy h ALA 87 CO -0.01 -0.23 0.06 1.25 0.00 0.00 0.00 179.25 180.32 2gmy h LEU 88 N 0.30 0.10 -0.90 0.00 5.85 -0.99 -2.85 115.31 116.82 2gmy h LEU 88 Ca 0.08 -0.03 0.01 0.00 0.84 0.00 0.00 57.88 58.78 2gmy h LEU 88 Cb -0.02 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.93 2gmy h LEU 88 CO -0.02 0.10 0.60 -0.07 -0.34 0.00 0.00 178.44 178.71 2gmy h LEU 89 N 0.10 1.03 -0.96 2.25 3.38 -0.49 0.32 115.31 120.94 2gmy h LEU 89 Ca 0.03 -0.03 0.09 0.00 0.09 0.00 0.00 57.88 58.07 2gmy h LEU 89 Cb 0.02 -0.26 -0.07 0.00 0.09 0.00 0.00 40.66 40.44 2gmy h LEU 89 CO -0.01 0.74 0.60 1.23 0.09 0.00 0.00 178.44 181.10 2gmy h GLY 90 N 1.22 1.50 0.80 0.83 0.00 -1.08 0.11 103.07 106.44 2gmy h GLY 90 Ca 0.33 -0.42 -0.09 0.00 0.00 0.00 0.00 47.33 47.16 2gmy h GLY 90 CO -0.08 0.23 -0.23 -0.25 0.00 0.00 0.00 176.54 176.22 2gmy h TRP 91 N 1.03 0.55 -0.55 5.60 2.91 -1.06 -1.54 115.95 122.89 2gmy h TRP 91 Ca 0.44 -0.18 0.08 0.00 1.13 0.00 0.00 58.89 60.36 2gmy h TRP 91 Cb 0.31 -0.11 -0.07 0.00 -0.51 0.00 0.00 29.16 28.78 2gmy h TRP 91 CO -0.02 0.86 0.20 0.28 -1.03 0.00 0.00 178.44 178.73 2gmy h VAL 92 N 0.09 0.79 -0.11 2.65 2.07 -0.59 0.60 116.25 121.75 2gmy h VAL 92 Ca 0.02 -0.13 -0.00 0.00 0.82 0.00 0.00 66.70 67.41 2gmy h VAL 92 Cb 0.79 0.39 -0.00 0.00 -1.52 0.00 0.00 31.29 30.94 2gmy h VAL 92 CO 0.05 0.07 0.05 0.44 0.02 0.00 0.00 177.57 178.20 2gmy h ASP 93 N 0.37 0.14 -0.64 0.57 5.19 -0.95 -0.09 116.42 121.01 2gmy h ASP 93 Ca 0.27 -0.13 -0.05 0.00 -0.62 0.00 0.00 57.03 56.50 2gmy h ASP 93 Cb 0.32 -0.04 -0.03 0.00 0.18 0.00 0.00 39.33 39.76 2gmy h ASP 93 CO -0.28 0.23 0.19 0.00 -3.12 0.00 0.00 179.24 176.26 2gmy h ALA 94 N 0.92 0.84 0.13 3.45 0.00 -0.80 -1.86 119.26 121.94 2gmy h ALA 94 Ca 0.04 -0.22 -0.29 0.00 0.00 0.00 0.00 54.91 54.44 2gmy h ALA 94 Cb 0.13 -0.25 0.02 0.00 0.00 0.00 0.00 17.79 17.69 2gmy h ALA 94 CO -0.00 0.53 -1.24 0.28 0.00 0.00 0.00 179.25 178.81 2gmy h VAL 95 N 0.94 1.37 -0.96 0.00 2.07 -0.88 -2.70 116.25 116.08 2gmy h VAL 95 Ca 0.21 -2.70 0.03 0.00 0.82 0.00 0.00 66.70 65.06 2gmy h VAL 95 Cb 0.31 2.80 -0.05 0.00 -1.52 0.00 0.00 31.29 32.83 2gmy h VAL 95 CO -0.00 0.80 0.63 0.74 0.02 0.00 0.00 177.57 179.76 2gmy h THR 96 N 0.18 1.18 -1.56 2.57 2.02 -0.95 -2.62 112.91 113.74 2gmy h THR 96 Ca -0.17 -0.43 -0.72 0.00 0.77 0.00 0.00 66.41 65.87 2gmy h THR 96 Cb 1.93 -0.16 -0.27 0.00 -1.74 0.00 0.00 68.15 67.90 2gmy h THR 96 CO 0.22 0.23 0.97 0.29 0.37 0.00 0.00 175.52 177.60 2gmy n LYS 97 N -4.46 2.71 -0.16 6.66 5.02 -0.71 -4.79 118.16 122.43 2gmy n LYS 97 Ca 0.12 -3.38 0.08 0.00 -2.02 0.00 0.00 58.31 53.12 2gmy n LYS 97 Cb 0.07 -2.27 0.39 0.00 -0.02 0.00 0.00 35.03 33.21 2gmy n LYS 97 CO 0.00 0.00 0.00 0.97 -0.52 0.00 0.00 177.40 177.85 2gmy h ILE 98 N 1.58 0.97 -0.01 -0.18 6.09 -1.13 -1.37 117.51 123.46 2gmy h ILE 98 Ca 0.58 -0.23 -0.07 0.00 -1.37 0.00 0.00 64.86 63.77 2gmy h ILE 98 Cb 0.37 0.26 -0.01 0.00 0.47 0.00 0.00 36.82 37.90 2gmy h ILE 98 CO 1.49 0.12 -0.33 0.00 -3.07 0.00 0.00 178.15 176.36 2gmy h ALA 99 N 1.63 1.43 0.10 0.18 0.00 -1.87 -0.09 119.26 120.65 2gmy h ALA 99 Ca 0.31 -0.31 -0.25 0.00 0.00 0.00 0.00 54.91 54.66 2gmy h ALA 99 Cb 0.37 -0.06 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 2gmy h ALA 99 CO -0.11 0.43 -1.31 0.93 0.00 0.00 0.00 179.25 179.19 2gmy h GLU 100 N 0.02 0.21 0.01 0.00 3.07 -1.68 -3.41 114.58 112.81 2gmy h GLU 100 Ca 0.00 -0.36 -0.32 0.00 -0.50 0.00 0.00 59.36 58.19 2gmy h GLU 100 Cb 0.60 0.13 -0.05 0.00 -0.84 0.00 0.00 28.75 28.59 2gmy h GLU 100 CO 0.04 1.17 -1.91 0.25 -1.40 0.00 0.00 179.01 177.16 2gmy n THR 101 N -4.01 1.58 -1.15 1.13 -2.24 -0.61 -4.98 114.28 104.00 2gmy n THR 101 Ca -0.24 -0.79 -0.05 0.00 -2.27 0.00 0.00 64.05 60.70 2gmy n THR 101 Cb 0.86 -1.01 -0.02 0.00 -2.10 0.00 0.00 70.33 68.05 2gmy n THR 101 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2gmy n GLY 102 N 1.67 0.66 3.15 3.38 0.00 -0.05 -4.14 105.19 109.86 2gmy n GLY 102 Ca -0.23 -0.16 -0.11 0.00 0.00 0.00 0.00 46.02 45.52 2gmy n GLY 102 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2gmy n ALA 103 N 1.10 -2.70 -1.36 4.61 0.00 -1.26 -4.94 120.51 115.95 2gmy n ALA 103 Ca -0.05 0.42 -0.34 0.00 0.00 0.00 0.00 53.44 53.46 2gmy n ALA 103 Cb 0.37 -2.28 0.09 0.00 0.00 0.00 0.00 19.45 17.62 2gmy n ALA 103 CO 0.00 0.00 0.00 -2.14 0.00 0.00 0.00 177.50 175.36 2gmy s PRO 104 N -3.07 2.22 0.26 0.00 0.02 -1.26 -4.82 135.00 128.35 2gmy s PRO 104 Ca 0.14 1.68 -0.02 0.00 0.02 0.00 0.00 61.00 62.82 2gmy s PRO 104 Cb -0.03 -1.85 0.50 0.00 0.02 0.00 0.00 34.50 33.14 2gmy s PRO 104 CO 0.79 -1.75 1.76 -0.44 -0.33 0.00 0.00 177.00 177.03 2gmy h ASP 105 N -0.29 0.47 -0.43 2.53 3.32 -1.96 -2.05 116.42 118.01 2gmy h ASP 105 Ca -0.47 0.09 -0.01 0.00 0.02 0.00 0.00 57.03 56.66 2gmy h ASP 105 Cb 1.29 0.02 -0.02 0.00 0.22 0.00 0.00 39.33 40.84 2gmy h ASP 105 CO 0.50 0.20 0.22 0.44 -1.72 0.00 0.00 179.24 178.88 2gmy h ASP 106 N 0.59 0.56 -0.74 6.45 3.32 -1.99 0.85 116.42 125.45 2gmy h ASP 106 Ca 0.44 -0.12 -0.06 0.00 0.02 0.00 0.00 57.03 57.32 2gmy h ASP 106 Cb 0.62 -0.14 -0.03 0.00 0.22 0.00 0.00 39.33 39.99 2gmy h ASP 106 CO -0.36 0.52 0.24 0.00 -1.72 0.00 0.00 179.24 177.92 2gmy h ALA 107 N 1.06 0.97 -0.35 3.45 0.00 -1.81 -1.90 119.26 120.68 2gmy h ALA 107 Ca 0.15 -0.22 -0.07 0.00 0.00 0.00 0.00 54.91 54.76 2gmy h ALA 107 Cb 0.10 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.59 2gmy h ALA 107 CO -0.02 0.65 -0.07 0.35 0.00 0.00 0.00 179.25 180.16 2gmy h PHE 108 N 1.10 0.75 -0.74 0.00 3.57 -1.09 -2.21 116.94 118.31 2gmy h PHE 108 Ca 0.24 -0.15 -0.00 0.00 3.53 0.00 0.00 57.97 61.58 2gmy h PHE 108 Cb 0.30 -0.18 -0.04 0.00 2.79 0.00 0.00 35.95 38.82 2gmy h PHE 108 CO 0.02 0.82 0.46 1.49 -2.23 0.00 0.00 178.31 178.87 2gmy h GLU 109 N 0.46 1.00 -0.64 1.11 4.81 -0.69 0.37 114.58 120.99 2gmy h GLU 109 Ca 0.09 -0.08 -0.08 0.00 -0.13 0.00 0.00 59.36 59.16 2gmy h GLU 109 Cb 0.56 -0.21 -0.03 0.00 0.63 0.00 0.00 28.75 29.71 2gmy h GLU 109 CO 0.03 0.69 0.10 1.15 -0.73 0.00 0.00 179.01 180.26 2gmy h THR 110 N 1.01 1.26 -0.41 0.32 2.02 -1.29 -1.99 112.91 113.82 2gmy h THR 110 Ca 0.27 -1.02 -0.03 0.00 0.77 0.00 0.00 66.41 66.40 2gmy h THR 110 Cb -0.06 0.66 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 2gmy h THR 110 CO -0.05 0.38 0.14 0.25 0.37 0.00 0.00 175.52 176.61 2gmy h LEU 111 N 0.99 0.58 -2.20 2.58 5.85 -0.85 -2.83 115.31 119.42 2gmy h LEU 111 Ca 0.20 -0.19 0.00 0.00 0.84 0.00 0.00 57.88 58.73 2gmy h LEU 111 Cb 0.43 -0.15 -0.00 0.00 0.37 0.00 0.00 40.66 41.31 2gmy h LEU 111 CO 0.01 0.61 0.01 0.03 -0.34 0.00 0.00 178.44 178.77 2gmy h ARG 112 N 0.51 0.00 0.00 1.25 2.47 -0.58 -1.57 114.38 116.47 2gmy h ARG 112 Ca 0.13 0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 58.84 2gmy h ARG 112 Cb 0.23 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 28.55 2gmy h ARG 112 CO -0.01 0.00 -0.06 0.00 0.56 0.00 0.00 179.97 180.46 2gmy h ALA 113 N 1.99 1.82 0.00 0.04 0.00 -1.10 -3.27 119.26 118.73 2gmy h ALA 113 Ca 0.01 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 2gmy h ALA 113 Cb 0.02 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.80 2gmy h ALA 113 CO -0.00 0.07 -1.32 0.72 0.00 0.00 0.00 179.25 178.72 2gmy n HIS 114 N -4.34 0.00 -4.25 0.00 8.25 -0.67 -5.04 115.22 109.16 2gmy n HIS 114 Ca -0.03 0.00 -0.18 0.00 -0.26 0.00 0.00 57.72 57.25 2gmy n HIS 114 Cb 0.14 -0.20 -0.13 0.00 1.12 0.00 0.00 29.99 30.93 2gmy n HIS 114 CO 0.00 0.00 0.00 -0.06 0.64 0.00 0.00 176.34 176.92 2gmy s PHE 115 N -2.58 1.00 0.83 4.41 0.08 -0.71 -5.14 117.98 115.87 2gmy s PHE 115 Ca -0.03 -0.36 -0.11 0.00 0.12 0.00 0.00 56.93 56.55 2gmy s PHE 115 Cb 0.06 -0.59 0.09 0.00 -0.57 0.00 0.00 43.02 42.01 2gmy s PHE 115 CO 0.41 0.00 1.09 -1.54 -0.10 0.00 0.00 175.22 175.08 2gmy s SER 116 N -1.14 4.15 0.30 1.36 1.04 -1.26 -4.56 113.70 113.60 2gmy s SER 116 Ca -0.01 1.46 -0.01 0.00 0.48 0.00 0.00 55.95 57.87 2gmy s SER 116 Cb -0.08 -2.18 0.45 0.00 0.10 0.00 0.00 66.02 64.31 2gmy s SER 116 CO 0.01 -2.20 1.92 0.44 0.98 0.00 0.00 173.24 174.38 2gmy h ASP 117 N -1.25 0.85 -0.56 7.02 3.32 -1.98 -0.11 116.42 123.71 2gmy h ASP 117 Ca -0.47 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 56.53 2gmy h ASP 117 Cb 1.27 -0.22 -0.04 0.00 0.22 0.00 0.00 39.33 40.56 2gmy h ASP 117 CO 0.56 0.70 0.33 -0.08 -1.72 0.00 0.00 179.24 179.03 2gmy h GLU 118 N 0.95 0.63 -0.61 3.56 4.81 -2.00 -0.57 114.58 121.35 2gmy h GLU 118 Ca 0.24 -0.04 -0.08 0.00 -0.13 0.00 0.00 59.36 59.36 2gmy h GLU 118 Cb 0.05 -0.14 -0.02 0.00 0.63 0.00 0.00 28.75 29.26 2gmy h GLU 118 CO -0.04 0.42 0.08 0.93 -0.73 0.00 0.00 179.01 179.67 2gmy h GLU 119 N 0.65 1.00 -0.47 1.92 5.08 -1.77 -2.15 114.58 118.84 2gmy h GLU 119 Ca 0.23 -0.26 -0.07 0.00 -1.00 0.00 0.00 59.36 58.25 2gmy h GLU 119 Cb 0.04 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 2gmy h GLU 119 CO -0.11 0.94 -0.00 0.82 -1.00 0.00 0.00 179.01 179.66 2gmy h ILE 120 N 0.94 1.24 -0.20 3.13 2.04 -0.46 0.17 117.51 124.36 2gmy h ILE 120 Ca 0.19 -0.99 -0.02 0.00 1.00 0.00 0.00 64.86 65.04 2gmy h ILE 120 Cb 0.44 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.39 2gmy h ILE 120 CO 0.01 0.35 0.06 0.58 0.00 0.00 0.00 178.15 179.15 2gmy h VAL 121 N 0.72 1.20 -0.50 1.67 2.07 -0.79 0.06 116.25 120.69 2gmy h VAL 121 Ca 0.14 -0.62 0.02 0.00 0.82 0.00 0.00 66.70 67.06 2gmy h VAL 121 Cb 0.44 1.23 -0.03 0.00 -1.52 0.00 0.00 31.29 31.41 2gmy h VAL 121 CO 0.02 0.20 0.29 0.11 0.02 0.00 0.00 177.57 178.21 2gmy h LYS 122 N 0.15 0.57 -0.50 1.57 1.57 -0.91 0.11 116.57 119.13 2gmy h LYS 122 Ca 0.06 -0.03 0.03 0.00 -1.87 0.00 0.00 60.65 58.84 2gmy h LYS 122 Cb 0.25 -0.13 -0.04 0.00 0.08 0.00 0.00 32.23 32.39 2gmy h LYS 122 CO -0.00 0.38 0.28 0.82 -0.57 0.00 0.00 179.45 180.36 2gmy h ILE 123 N 0.59 1.02 -0.12 1.86 2.04 -0.52 -0.12 117.51 122.26 2gmy h ILE 123 Ca 0.20 -0.19 -0.20 0.00 1.00 0.00 0.00 64.86 65.67 2gmy h ILE 123 Cb 0.02 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.51 2gmy h ILE 123 CO -0.09 0.10 -0.73 0.74 0.00 0.00 0.00 178.15 178.17 2gmy h THR 124 N 0.56 1.33 -0.65 -0.27 2.02 -0.42 0.02 112.91 115.51 2gmy h THR 124 Ca 0.21 -2.04 -0.01 0.00 0.77 0.00 0.00 66.41 65.34 2gmy h THR 124 Cb 0.06 2.02 -0.03 0.00 -1.74 0.00 0.00 68.15 68.47 2gmy h THR 124 CO -0.11 0.63 0.36 0.58 0.37 0.00 0.00 175.52 177.35 2gmy h VAL 125 N 0.39 1.20 -0.80 3.16 2.07 -0.66 -0.75 116.25 120.87 2gmy h VAL 125 Ca -0.03 -0.49 0.04 0.00 0.82 0.00 0.00 66.70 67.03 2gmy h VAL 125 Cb 1.32 0.35 -0.05 0.00 -1.52 0.00 0.00 31.29 31.39 2gmy h VAL 125 CO 0.14 0.22 0.50 0.00 0.02 0.00 0.00 177.57 178.44 2gmy h ALA 126 N 1.18 1.06 -0.71 1.67 0.00 -0.60 0.13 119.26 121.99 2gmy h ALA 126 Ca 0.23 -0.02 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 2gmy h ALA 126 Cb 0.03 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.54 2gmy h ALA 126 CO -0.04 0.29 0.33 0.82 0.00 0.00 0.00 179.25 180.65 2gmy h ILE 127 N 0.96 1.24 -0.41 0.00 2.04 -0.67 -1.44 117.51 119.23 2gmy h ILE 127 Ca 0.33 -0.70 -0.00 0.00 1.00 0.00 0.00 64.86 65.49 2gmy h ILE 127 Cb 0.06 0.37 -0.02 0.00 -0.74 0.00 0.00 36.82 36.50 2gmy h ILE 127 CO -0.13 0.29 0.24 1.23 0.00 0.00 0.00 178.15 179.77 2gmy h GLY 128 N 1.00 0.59 0.98 5.37 0.00 -0.26 -1.46 103.07 109.29 2gmy h GLY 128 Ca 0.24 -0.25 0.01 0.00 0.00 0.00 0.00 47.33 47.33 2gmy h GLY 128 CO -0.03 0.24 0.27 0.00 0.00 0.00 0.00 176.54 177.02 2gmy h ALA 129 N 1.10 0.53 -0.15 3.60 0.00 -0.31 -1.01 119.26 123.02 2gmy h ALA 129 Ca 0.14 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 2gmy h ALA 129 Cb 0.01 -0.16 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 2gmy h ALA 129 CO -0.03 -0.04 -0.58 0.97 0.00 0.00 0.00 179.25 179.58 2gmy h ILE 130 N 0.55 1.34 -0.22 0.00 6.09 -1.18 -1.34 117.51 122.74 2gmy h ILE 130 Ca 0.16 -1.86 0.02 0.00 -1.37 0.00 0.00 64.86 61.80 2gmy h ILE 130 Cb -0.05 1.85 -0.01 0.00 0.47 0.00 0.00 36.82 39.09 2gmy h ILE 130 CO -0.04 0.57 0.15 0.78 -3.07 0.00 0.00 178.15 176.54 2gmy h ASN 131 N 0.36 0.21 -0.01 2.19 2.35 -0.92 0.15 115.58 119.91 2gmy h ASN 131 Ca 0.00 -0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.74 2gmy h ASN 131 Cb 1.12 -0.05 0.00 0.00 0.05 0.00 0.00 38.32 39.44 2gmy h ASN 131 CO 0.10 0.15 -0.02 0.74 -1.65 0.00 0.00 177.43 176.75 2gmy h THR 132 N 0.24 1.46 -0.78 2.81 2.02 -0.46 -2.62 112.91 115.58 2gmy h THR 132 Ca 0.09 -1.37 0.04 0.00 0.77 0.00 0.00 66.41 65.93 2gmy h THR 132 Cb 0.06 2.37 -0.05 0.00 -1.74 0.00 0.00 68.15 68.79 2gmy h THR 132 CO -0.02 0.36 0.48 -0.50 0.37 0.00 0.00 175.52 176.22 2gmy h TRP 133 N -0.54 0.90 -0.93 3.16 -0.00 -0.84 -0.74 115.95 116.97 2gmy h TRP 133 Ca 0.00 0.03 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 2gmy h TRP 133 Cb 0.60 -0.29 -0.05 0.00 -0.00 0.00 0.00 29.16 29.42 2gmy h TRP 133 CO 0.13 0.50 0.61 -0.91 -0.00 0.00 0.00 178.44 178.77 2gmy h ASN 134 N 0.93 1.06 -0.49 -3.49 2.35 -0.76 0.16 115.58 115.33 2gmy h ASN 134 Ca 0.32 -0.03 -0.12 0.00 -0.55 0.00 0.00 56.30 55.93 2gmy h ASN 134 Cb 0.07 -0.26 -0.01 0.00 0.05 0.00 0.00 38.32 38.16 2gmy h ASN 134 CO -0.13 0.77 -0.14 0.03 -1.65 0.00 0.00 177.43 176.30 2gmy h ARG 135 N 1.25 0.97 -0.10 0.81 3.08 -0.99 -0.19 114.38 119.21 2gmy h ARG 135 Ca 0.34 -0.38 -0.01 0.00 0.07 0.00 0.00 59.98 59.99 2gmy h ARG 135 Cb -0.14 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 29.86 2gmy h ARG 135 CO -0.08 1.05 0.00 0.82 -1.07 0.00 0.00 179.97 180.70 2gmy h ILE 136 N 0.83 1.24 -0.15 2.04 2.04 -0.72 0.21 117.51 122.99 2gmy h ILE 136 Ca 0.12 -0.77 -0.05 0.00 1.00 0.00 0.00 64.86 65.15 2gmy h ILE 136 Cb 0.71 1.57 -0.00 0.00 -0.74 0.00 0.00 36.82 38.36 2gmy h ILE 136 CO 0.05 0.22 -0.12 0.00 0.00 0.00 0.00 178.15 178.31 2gmy h ALA 137 N 0.75 0.22 -0.26 1.87 0.00 -0.66 -0.17 119.26 121.01 2gmy h ALA 137 Ca 0.03 -0.30 -0.07 0.00 0.00 0.00 0.00 54.91 54.57 2gmy h ALA 137 Cb 0.34 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 2gmy h ALA 137 CO 0.00 0.07 -0.10 0.28 0.00 0.00 0.00 179.25 179.51 2gmy h VAL 138 N -0.00 1.29 -0.80 0.00 2.07 -1.13 -0.00 116.25 117.68 2gmy h VAL 138 Ca 0.03 -1.16 0.10 0.00 0.82 0.00 0.00 66.70 66.49 2gmy h VAL 138 Cb 0.63 1.52 -0.06 0.00 -1.52 0.00 0.00 31.29 31.86 2gmy h VAL 138 CO 0.03 0.36 0.52 1.23 0.02 0.00 0.00 177.57 179.74 2gmy h GLY 139 N 0.25 1.06 -2.01 2.17 0.00 -0.87 -1.87 103.07 101.81 2gmy h GLY 139 Ca 0.06 -0.30 0.00 0.00 0.00 0.00 0.00 47.33 47.09 2gmy h GLY 139 CO 0.03 0.18 0.00 0.69 0.00 0.00 0.00 176.54 177.44 2gmy n PHE 140 N -4.51 0.71 -3.78 5.60 3.72 -0.08 -4.94 117.46 114.18 2gmy n PHE 140 Ca 0.13 -0.48 -0.25 0.00 -0.05 0.00 0.00 57.45 56.81 2gmy n PHE 140 Cb 0.32 -0.01 0.03 0.00 -0.94 0.00 0.00 39.48 38.88 2gmy n PHE 140 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 2gmy n ARG 141 N 1.11 -5.28 -1.85 -1.08 5.12 -0.39 -0.77 116.66 113.52 2gmy n ARG 141 Ca 0.18 0.62 -0.41 0.00 -1.93 0.00 0.00 57.85 56.31 2gmy n ARG 141 Cb 0.53 -5.33 -0.00 0.00 -1.16 0.00 0.00 32.46 26.50 2gmy n ARG 141 CO 0.00 0.00 0.00 -1.12 -1.93 0.00 0.00 177.63 174.58 2gmy s SER 142 N -3.90 6.35 -0.23 0.55 0.01 -0.15 -3.79 113.70 112.53 2gmy s SER 142 Ca 0.29 2.98 -0.04 0.00 1.31 0.00 0.00 55.95 60.49 2gmy s SER 142 Cb -0.14 -2.66 -0.01 0.00 0.21 0.00 0.00 66.02 63.41 2gmy s SER 142 CO 0.82 -0.86 -0.02 -1.10 0.41 0.00 0.00 173.24 172.48 2gmy s GLN 143 N -2.10 3.38 0.67 12.44 -1.52 -1.26 -4.60 119.66 126.67 2gmy s GLN 143 Ca 0.53 -0.63 -0.12 0.00 -1.95 0.00 0.00 55.36 53.20 2gmy s GLN 143 Cb -0.45 -3.06 -0.00 0.00 -0.22 0.00 0.00 33.01 29.27 2gmy s GLN 143 CO 0.61 -0.21 1.06 -3.38 -0.25 0.00 0.00 175.29 173.11 2gmy s HIS 144 N 1.49 3.14 0.42 0.91 -3.43 -1.26 -5.01 115.29 111.55 2gmy s HIS 144 Ca 0.06 1.43 -0.25 0.00 -0.80 0.00 0.00 55.06 55.50 2gmy s HIS 144 Cb -0.15 -2.88 -0.08 0.00 -1.43 0.00 0.00 32.58 28.04 2gmy s HIS 144 CO -0.02 -1.15 1.18 -2.14 -2.00 0.00 0.00 174.74 170.61 2gmy s PRO 145 N -4.88 3.94 0.00 -0.38 0.02 -1.26 -5.09 135.00 127.35 2gmy s PRO 145 Ca 0.59 1.86 0.13 0.00 0.02 0.00 0.00 61.00 63.60 2gmy s PRO 145 Cb -0.14 -2.60 0.10 0.00 0.02 0.00 0.00 34.50 31.88 2gmy s PRO 145 CO 0.52 -0.42 0.91 0.28 -0.33 0.00 0.00 177.00 177.96