#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gor s ASN -1 N 0.00 6.45 0.00 6.43 -0.87 -1.26 -5.19 114.94 120.51 3gor s ASN -1 Ca 0.00 2.83 0.07 0.00 -1.57 0.00 0.00 52.86 54.19 3gor s ASN -1 Cb 0.00 -2.62 0.41 0.00 -0.02 0.00 0.00 41.25 39.03 3gor s ASN -1 CO 0.00 -0.89 0.95 0.00 -2.57 0.00 0.00 177.10 174.59 3gor n ALA 0 N 3.05 1.70 -2.42 0.60 0.00 -1.26 -5.17 120.51 117.01 3gor n ALA 0 Ca 0.11 -0.04 -0.20 0.00 0.00 0.00 0.00 53.44 53.31 3gor n ALA 0 Cb 0.37 -1.12 -0.02 0.00 0.00 0.00 0.00 19.45 18.68 3gor n ALA 0 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3gor s SER 2 N -2.16 5.46 0.14 0.00 1.04 -1.26 -5.17 113.70 111.74 3gor s SER 2 Ca 0.10 -0.44 -0.20 0.00 0.48 0.00 0.00 55.95 55.88 3gor s SER 2 Cb 0.05 -0.96 -0.00 0.00 0.10 0.00 0.00 66.02 65.20 3gor s SER 2 CO 0.09 -0.44 1.68 0.03 0.98 0.00 0.00 173.24 175.58 3gor h ARG 3 N 1.09 -0.07 -0.61 4.02 3.08 -1.96 -2.25 114.38 117.68 3gor h ARG 3 Ca -0.44 0.00 0.11 0.00 0.07 0.00 0.00 59.98 59.73 3gor h ARG 3 Cb 1.26 0.02 -0.12 0.00 0.08 0.00 0.00 29.97 31.21 3gor h ARG 3 CO 0.56 -0.05 -0.27 0.00 -1.07 0.00 0.00 179.97 179.14 3gor h ALA 4 N 1.10 0.13 -0.41 0.04 0.00 -1.88 0.29 119.26 118.53 3gor h ALA 4 Ca 0.11 0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.20 3gor h ALA 4 Cb 0.24 0.68 -0.02 0.00 0.00 0.00 0.00 17.79 18.69 3gor h ALA 4 CO -0.25 -0.59 0.20 -0.22 0.00 0.00 0.00 179.25 178.39 3gor h LYS 5 N -0.11 0.57 -0.27 0.00 3.64 -1.80 0.10 116.57 118.70 3gor h LYS 5 Ca 0.26 -0.06 -0.06 0.00 -1.27 0.00 0.00 60.65 59.52 3gor h LYS 5 Cb 0.53 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.23 3gor h LYS 5 CO -0.68 0.45 -0.05 0.87 -2.27 0.00 0.00 179.45 177.77 3gor h LYS 6 N 0.58 0.50 -0.57 1.90 1.57 -0.52 -2.25 116.57 117.78 3gor h LYS 6 Ca 0.15 -0.19 -0.07 0.00 -1.87 0.00 0.00 60.65 58.67 3gor h LYS 6 Cb 0.07 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.32 3gor h LYS 6 CO -0.02 0.71 0.07 -1.49 -0.57 0.00 0.00 179.45 178.15 3gor h TRP 7 N 0.26 0.99 -0.51 -1.35 4.06 -0.15 -1.31 115.95 117.94 3gor h TRP 7 Ca 0.07 -0.13 -0.05 0.00 2.06 0.00 0.00 58.89 60.84 3gor h TRP 7 Cb 0.51 -0.28 -0.02 0.00 -1.00 0.00 0.00 29.16 28.38 3gor h TRP 7 CO 0.05 0.86 0.11 0.28 -3.56 0.00 0.00 178.44 176.18 3gor h VAL 8 N 0.88 1.24 -0.65 1.49 2.07 -0.80 0.27 116.25 120.75 3gor h VAL 8 Ca 0.18 -0.88 -0.06 0.00 0.82 0.00 0.00 66.70 66.75 3gor h VAL 8 Cb 0.42 0.84 -0.03 0.00 -1.52 0.00 0.00 31.29 31.00 3gor h VAL 8 CO 0.01 0.32 0.15 -0.61 0.02 0.00 0.00 177.57 177.46 3gor h GLN 9 N 0.71 1.02 -0.17 1.57 4.15 -1.10 -0.23 115.11 121.07 3gor h GLN 9 Ca 0.16 -0.23 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 3gor h GLN 9 Cb 0.35 -0.14 -0.01 0.00 0.21 0.00 0.00 27.48 27.90 3gor h GLN 9 CO 0.00 0.91 0.04 -0.92 -1.93 0.00 0.00 178.83 176.93 3gor h TYR 10 N 0.98 0.28 -0.05 3.99 3.20 -0.90 -1.35 116.97 123.11 3gor h TYR 10 Ca 0.21 -0.03 0.04 0.00 3.14 0.00 0.00 58.73 62.08 3gor h TYR 10 Cb 0.35 -0.08 -0.05 0.00 1.54 0.00 0.00 36.73 38.49 3gor h TYR 10 CO 0.02 0.41 -0.23 0.35 -1.64 0.00 0.00 178.16 177.07 3gor h PHE 11 N 0.07 -0.61 -0.05 -3.82 3.57 -0.20 -2.91 116.94 112.99 3gor h PHE 11 Ca 0.05 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3gor h PHE 11 Cb 0.27 0.28 -0.01 0.00 2.79 0.00 0.00 35.95 39.28 3gor h PHE 11 CO 0.01 -0.32 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.47 3gor h LEU 12 N -0.33 0.07 -2.37 0.59 3.38 -0.99 0.12 115.31 115.79 3gor h LEU 12 Ca 0.08 -0.02 -0.01 0.00 0.09 0.00 0.00 57.88 58.02 3gor h LEU 12 Cb 0.44 -0.02 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3gor h LEU 12 CO -0.25 0.32 -0.03 0.77 0.09 0.00 0.00 178.44 179.35 3gor h SER 13 N 0.07 0.00 0.00 -0.43 4.64 -1.04 -0.66 113.55 116.13 3gor h SER 13 Ca 0.01 0.00 -0.43 0.00 -0.47 0.00 0.00 61.79 60.90 3gor h SER 13 Cb 0.47 0.00 -0.07 0.00 -0.31 0.00 0.00 62.40 62.49 3gor h SER 13 CO 0.03 0.03 -2.44 1.41 -0.87 0.00 0.00 176.83 174.99 3gor n HIS 14 N -3.76 0.00 0.17 4.77 8.25 -0.87 -0.47 115.22 123.31 3gor n HIS 14 Ca -0.03 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.51 3gor n HIS 14 Cb 0.12 -0.93 0.58 0.00 1.12 0.00 0.00 29.99 30.88 3gor n HIS 14 CO 0.00 0.00 0.00 -0.09 0.64 0.00 0.00 176.34 176.89 3gor h ARG 15 N -0.84 0.15 -0.80 -0.41 9.65 -0.69 -1.08 114.38 120.36 3gor h ARG 15 Ca -0.65 -0.01 -0.04 0.00 -1.10 0.00 0.00 59.98 58.18 3gor h ARG 15 Cb 1.60 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 30.11 3gor h ARG 15 CO -0.37 0.10 0.34 0.45 2.80 0.00 0.00 179.97 183.30 3gor h HIS 16 N 0.16 1.20 -0.57 2.20 3.86 -1.36 -1.98 115.15 118.66 3gor h HIS 16 Ca 0.06 -0.08 -0.09 0.00 -1.16 0.00 0.00 60.37 59.10 3gor h HIS 16 Cb 0.06 -0.36 -0.02 0.00 1.06 0.00 0.00 27.41 28.14 3gor h HIS 16 CO -0.00 0.89 0.01 0.28 0.86 0.00 0.00 177.93 179.97 3gor h VAL 17 N 1.16 1.26 0.00 2.45 2.07 -1.44 -1.63 116.25 120.13 3gor h VAL 17 Ca 0.27 -1.12 0.00 0.00 0.82 0.00 0.00 66.70 66.67 3gor h VAL 17 Cb 0.18 0.86 0.00 0.00 -1.52 0.00 0.00 31.29 30.81 3gor h VAL 17 CO -0.03 0.40 0.00 0.41 0.02 0.00 0.00 177.57 178.38 3gor n THR 18 N -4.24 0.00 0.00 2.57 -1.04 -0.75 -1.38 114.28 109.44 3gor n THR 18 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 3gor n THR 18 Cb 0.33 -0.09 0.00 0.00 -1.82 0.00 0.00 70.33 68.75 3gor n THR 18 CO 0.00 0.00 0.00 1.21 -0.64 0.00 0.00 175.07 175.64 3gor n GLU 20 N 0.54 0.00 -0.24 -2.82 2.13 -0.61 -1.13 120.64 118.51 3gor n GLU 20 Ca 0.00 0.00 -0.06 0.00 0.66 0.00 0.00 57.16 57.76 3gor n GLU 20 Cb 0.00 0.00 0.04 0.00 0.27 0.00 0.00 31.44 31.75 3gor n GLU 20 CO 0.00 0.00 0.00 -0.07 -0.41 0.00 0.00 177.13 176.65 3gor h LEU 21 N 0.00 0.87 -1.28 4.31 3.38 -1.51 -2.89 115.31 118.20 3gor h LEU 21 Ca 0.00 -0.13 -0.03 0.00 0.09 0.00 0.00 57.88 57.81 3gor h LEU 21 Cb 0.00 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.50 3gor h LEU 21 CO 0.00 0.76 0.15 0.40 0.09 0.00 0.00 178.44 179.84 3gor h ILE 22 N 0.92 1.18 0.00 1.22 2.04 -1.38 -2.09 117.51 119.41 3gor h ILE 22 Ca 0.23 -0.60 -0.02 0.00 1.00 0.00 0.00 64.86 65.47 3gor h ILE 22 Cb 0.11 0.68 -0.00 0.00 -0.74 0.00 0.00 36.82 36.87 3gor h ILE 22 CO -0.03 0.23 -0.11 0.45 0.00 0.00 0.00 178.15 178.69 3gor h HIS 23 N 0.64 0.00 0.00 1.37 3.86 -1.79 -1.93 115.15 117.30 3gor h HIS 23 Ca 0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.36 3gor h HIS 23 Cb 0.18 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.65 3gor h HIS 23 CO 0.01 0.11 0.00 1.63 0.86 0.00 0.00 177.93 180.54 3gor n LYS 24 N -3.38 0.34 -3.28 2.45 5.02 -0.78 -4.68 118.16 113.85 3gor n LYS 24 Ca -0.01 0.02 -0.44 0.00 -2.02 0.00 0.00 58.31 55.86 3gor n LYS 24 Cb 0.29 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.73 3gor n LYS 24 CO 0.00 0.00 0.00 0.42 -0.52 0.00 0.00 177.40 177.30 3gor s ILE 25 N -2.64 5.07 0.58 -0.18 1.01 -0.73 -5.05 121.20 119.26 3gor s ILE 25 Ca 0.25 -0.84 -0.09 0.00 0.00 0.00 0.00 60.65 59.97 3gor s ILE 25 Cb 0.19 -4.22 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 3gor s ILE 25 CO 0.45 -0.71 0.95 1.51 0.00 0.00 0.00 174.94 177.14 3gor s ASP 26 N 2.72 6.08 0.50 3.58 -4.77 -1.26 -4.90 116.67 118.61 3gor s ASP 26 Ca 0.09 1.15 0.30 0.00 -3.30 0.00 0.00 52.55 50.79 3gor s ASP 26 Cb -0.22 -2.25 1.40 0.00 -1.09 0.00 0.00 42.92 40.76 3gor s ASP 26 CO 0.09 -0.86 1.84 -0.33 0.70 0.00 0.00 175.17 176.61 3gor h GLU 27 N -0.17 0.10 0.00 2.11 4.39 -1.99 0.33 114.58 119.34 3gor h GLU 27 Ca -0.45 -0.01 -0.02 0.00 0.34 0.00 0.00 59.36 59.22 3gor h GLU 27 Cb 1.21 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.83 3gor h GLU 27 CO 0.62 0.07 -0.10 0.00 -1.16 0.00 0.00 179.01 178.44 3gor h ALA 28 N 1.52 1.35 -0.32 3.43 0.00 -2.02 -2.45 119.26 120.78 3gor h ALA 28 Ca 0.50 -0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.32 3gor h ALA 28 Cb 1.80 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.57 3gor h ALA 28 CO -0.07 0.12 0.00 0.72 0.00 0.00 0.00 179.25 180.02 3gor n HIS 29 N -3.72 0.42 -0.30 0.00 8.25 0.11 -4.58 115.22 115.41 3gor n HIS 29 Ca -0.02 -0.35 0.18 0.00 -0.26 0.00 0.00 57.72 57.27 3gor n HIS 29 Cb 0.21 -0.01 0.45 0.00 1.12 0.00 0.00 29.99 31.76 3gor n HIS 29 CO 0.00 0.00 0.00 1.88 0.64 0.00 0.00 176.34 178.86 3gor h TYR 30 N 2.66 0.73 -0.65 4.41 -1.99 -1.28 -0.67 116.97 120.19 3gor h TYR 30 Ca 0.00 0.02 0.00 0.00 2.00 0.00 0.00 58.73 60.75 3gor h TYR 30 Cb 0.74 -0.22 0.00 0.00 2.00 0.00 0.00 36.73 39.25 3gor h TYR 30 CO 0.21 0.16 0.00 -0.40 -0.00 0.00 0.00 178.16 178.13 3gor n ASP 31 N -4.61 4.14 -4.72 3.88 5.75 -1.26 -0.26 116.55 119.47 3gor n ASP 31 Ca 0.22 -2.19 -0.41 0.00 -0.01 0.00 0.00 54.79 52.40 3gor n ASP 31 Cb 0.70 -0.50 0.01 0.00 -1.03 0.00 0.00 41.12 40.31 3gor n ASP 31 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3gor n TYR 32 N 1.27 2.31 -3.73 2.11 9.36 -0.26 -4.69 117.16 123.53 3gor n TYR 32 Ca 0.23 0.48 -0.15 0.00 3.32 0.00 0.00 57.90 61.79 3gor n TYR 32 Cb 0.71 -2.40 -0.15 0.00 -0.63 0.00 0.00 39.34 36.86 3gor n TYR 32 CO 0.00 0.00 0.00 0.15 0.22 0.00 0.00 176.86 177.23 3gor s LYS 33 N -2.26 0.03 0.35 2.98 1.02 -1.26 -1.05 119.74 119.55 3gor s LYS 33 Ca 0.61 0.36 0.05 0.00 0.02 0.00 0.00 55.97 57.00 3gor s LYS 33 Cb -0.49 -0.25 0.64 0.00 -0.52 0.00 0.00 37.83 37.21 3gor s LYS 33 CO 0.58 -0.21 1.90 -1.35 -0.92 0.00 0.00 175.35 175.35 3gor h PRO 34 N 7.57 0.53 -4.82 -1.68 0.11 -1.95 -3.44 132.00 128.31 3gor h PRO 34 Ca -0.36 -0.10 -0.28 0.00 0.11 0.00 0.00 66.00 65.37 3gor h PRO 34 Cb 1.13 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.01 3gor h PRO 34 CO 0.36 0.52 -0.68 0.95 -0.21 0.00 0.00 178.00 178.94 3gor s THR 35 N -5.04 0.81 0.41 -1.15 -4.23 -1.26 -5.04 115.64 100.13 3gor s THR 35 Ca -0.08 -1.99 0.25 0.00 -1.18 0.00 0.00 61.69 58.70 3gor s THR 35 Cb 0.16 -1.93 0.28 0.00 1.34 0.00 0.00 72.50 72.34 3gor s THR 35 CO 0.76 -0.66 2.05 -0.65 -0.54 0.00 0.00 174.62 175.59 3gor h PRO 36 N 2.79 0.00 -0.58 3.99 0.11 -2.04 -2.65 132.00 133.62 3gor h PRO 36 Ca -0.36 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.75 3gor h PRO 36 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 3gor h PRO 36 CO 0.64 0.13 0.00 0.25 -0.21 0.00 0.00 178.00 178.81 3gor n THR 37 N -3.73 0.84 0.00 -1.15 -2.24 -1.26 -5.12 114.28 101.62 3gor n THR 37 Ca -0.02 -0.92 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 3gor n THR 37 Cb 0.24 0.66 0.00 0.00 -2.10 0.00 0.00 70.33 69.13 3gor n THR 37 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 3gor n SER 38 N 1.46 0.00 -4.80 3.42 7.64 -1.00 -5.16 113.62 115.18 3gor n SER 38 Ca 0.21 0.00 -0.24 0.00 1.01 0.00 0.00 58.87 59.86 3gor n SER 38 Cb 0.59 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.74 3gor n SER 38 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3gor s THR 40 N 1.68 4.35 0.24 0.44 -4.23 -1.26 -4.89 115.64 111.98 3gor s THR 40 Ca 0.00 -1.34 -0.04 0.00 -1.18 0.00 0.00 61.69 59.13 3gor s THR 40 Cb 0.00 -3.30 0.21 0.00 1.34 0.00 0.00 72.50 70.75 3gor s THR 40 CO 0.00 -0.26 1.77 0.00 -0.54 0.00 0.00 174.62 175.59 3gor h ALA 41 N 1.88 1.12 -0.70 3.99 0.00 -1.03 0.81 119.26 125.33 3gor h ALA 41 Ca -0.48 0.07 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 3gor h ALA 41 Cb 1.23 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 3gor h ALA 41 CO 0.61 -0.07 0.16 -0.22 0.00 0.00 0.00 179.25 179.73 3gor h LYS 42 N 0.60 1.12 -0.74 0.00 3.64 -0.90 -1.22 116.57 119.07 3gor h LYS 42 Ca 0.41 -0.28 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3gor h LYS 42 Cb 0.51 -0.14 -0.03 0.00 -0.41 0.00 0.00 32.23 32.16 3gor h LYS 42 CO -0.32 1.00 0.27 1.96 -2.27 0.00 0.00 179.45 180.08 3gor h GLN 43 N 1.05 1.13 0.07 1.90 4.20 -1.42 -1.32 115.11 120.72 3gor h GLN 43 Ca 0.22 -0.22 -0.00 0.00 0.06 0.00 0.00 58.65 58.70 3gor h GLN 43 Cb 0.39 -0.17 0.00 0.00 0.30 0.00 0.00 27.48 27.99 3gor h GLN 43 CO 0.00 0.94 -0.03 1.25 -0.67 0.00 0.00 178.83 180.32 3gor h LEU 44 N 1.08 -0.08 -0.85 1.46 5.85 -0.58 -0.61 115.31 121.59 3gor h LEU 44 Ca 0.24 -0.25 -0.05 0.00 0.84 0.00 0.00 57.88 58.67 3gor h LEU 44 Cb 0.26 0.02 -0.03 0.00 0.37 0.00 0.00 40.66 41.27 3gor h LEU 44 CO -0.01 0.21 0.29 0.00 -0.34 0.00 0.00 178.44 178.58 3gor h ALA 45 N 0.54 1.08 -0.35 1.25 0.00 -1.19 -2.55 119.26 118.05 3gor h ALA 45 Ca -0.01 -0.20 -0.05 0.00 0.00 0.00 0.00 54.91 54.66 3gor h ALA 45 Cb 0.32 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.80 3gor h ALA 45 CO 0.02 0.65 0.04 1.15 0.00 0.00 0.00 179.25 181.10 3gor h THR 46 N 1.11 1.24 0.00 0.00 2.02 -1.15 -2.47 112.91 113.67 3gor h THR 46 Ca 0.25 -0.88 0.00 0.00 0.77 0.00 0.00 66.41 66.55 3gor h THR 46 Cb 0.23 1.13 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3gor h THR 46 CO -0.02 0.29 0.00 1.57 0.37 0.00 0.00 175.52 177.74 3gor n HIS 47 N -4.55 0.00 0.00 3.16 -0.00 -0.25 -1.11 115.22 112.47 3gor n HIS 47 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.70 3gor n HIS 47 Cb 0.24 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.18 3gor n HIS 47 CO 0.00 0.00 0.00 1.28 -0.00 0.00 0.00 176.34 177.62 3gor n LEU 49 N 0.72 0.00 -0.06 0.27 4.77 -0.93 -0.66 117.00 121.11 3gor n LEU 49 Ca 0.00 0.00 -0.14 0.00 -0.03 0.00 0.00 56.01 55.84 3gor n LEU 49 Cb 0.00 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.03 3gor n LEU 49 CO 0.00 0.00 0.51 -0.26 -1.33 0.00 0.00 177.39 176.31 3gor h PHE 50 N 0.00 0.67 -0.51 -1.77 0.04 -1.39 -2.46 116.94 111.52 3gor h PHE 50 Ca 0.00 -0.23 -0.00 0.00 2.80 0.00 0.00 57.97 60.53 3gor h PHE 50 Cb 0.00 -0.13 -0.02 0.00 2.20 0.00 0.00 35.95 38.00 3gor h PHE 50 CO 0.00 0.96 0.30 0.66 -0.60 0.00 0.00 178.31 179.63 3gor h SER 51 N 0.20 0.61 -0.52 2.17 4.64 -1.11 -1.30 113.55 118.24 3gor h SER 51 Ca 0.01 -0.06 -0.02 0.00 -0.47 0.00 0.00 61.79 61.25 3gor h SER 51 Cb 0.90 -0.16 -0.02 0.00 -0.31 0.00 0.00 62.40 62.81 3gor h SER 51 CO 0.07 0.49 0.24 0.15 -0.87 0.00 0.00 176.83 176.91 3gor h PHE 52 N 0.68 0.77 -0.85 4.77 3.04 -1.77 -1.58 116.94 122.01 3gor h PHE 52 Ca 0.18 -0.04 0.16 0.00 3.98 0.00 0.00 57.97 62.25 3gor h PHE 52 Cb -0.00 -0.24 -0.10 0.00 2.56 0.00 0.00 35.95 38.17 3gor h PHE 52 CO -0.03 0.61 0.41 -0.92 -2.02 0.00 0.00 178.31 176.36 3gor h TYR 53 N 0.70 0.70 -0.45 0.41 3.20 -0.95 -0.58 116.97 120.00 3gor h TYR 53 Ca 0.18 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 62.00 3gor h TYR 53 Cb 0.14 -0.18 -0.01 0.00 1.54 0.00 0.00 36.73 38.22 3gor h TYR 53 CO -0.00 0.11 -0.07 -0.91 -1.64 0.00 0.00 178.16 175.65 3gor h ASN 54 N 0.54 0.84 -0.03 -2.11 2.35 -0.46 0.17 115.58 116.88 3gor h ASN 54 Ca 0.48 -0.34 0.03 0.00 -0.55 0.00 0.00 56.30 55.92 3gor h ASN 54 Cb 0.75 -0.23 -0.04 0.00 0.05 0.00 0.00 38.32 38.86 3gor h ASN 54 CO -0.41 0.98 -0.18 -0.26 -1.65 0.00 0.00 177.43 175.92 3gor h PHE 55 N 0.68 -0.46 -0.09 1.19 0.04 -0.73 -0.83 116.94 116.74 3gor h PHE 55 Ca 0.12 0.02 -0.00 0.00 2.80 0.00 0.00 57.97 60.90 3gor h PHE 55 Cb 0.59 0.21 -0.00 0.00 2.20 0.00 0.00 35.95 38.95 3gor h PHE 55 CO 0.05 -0.25 0.04 0.00 -0.60 0.00 0.00 178.31 177.54 3gor h ALA 56 N 0.68 0.12 -0.49 2.45 0.00 -0.98 0.58 119.26 121.61 3gor h ALA 56 Ca 0.07 -0.09 0.10 0.00 0.00 0.00 0.00 54.91 54.98 3gor h ALA 56 Cb 0.36 -0.04 -0.09 0.00 0.00 0.00 0.00 17.79 18.03 3gor h ALA 56 CO -0.19 -0.30 -0.04 -0.97 0.00 0.00 0.00 179.25 177.74 3gor h ASN 57 N -0.00 -0.30 -0.52 0.00 -1.24 -0.61 0.33 115.58 113.25 3gor h ASN 57 Ca 0.03 0.13 -0.06 0.00 0.71 0.00 0.00 56.30 57.11 3gor h ASN 57 Cb 0.16 0.24 -0.02 0.00 0.73 0.00 0.00 38.32 39.43 3gor h ASN 57 CO -0.00 -0.11 0.08 0.74 -1.29 0.00 0.00 177.43 176.85 3gor h THR 58 N 0.07 1.25 -0.13 -3.57 2.02 -0.94 -2.50 112.91 109.12 3gor h THR 58 Ca 0.25 -0.96 -0.01 0.00 0.77 0.00 0.00 66.41 66.46 3gor h THR 58 Cb 0.38 0.86 -0.01 0.00 -1.74 0.00 0.00 68.15 67.65 3gor h THR 58 CO -0.45 0.34 0.05 0.00 0.37 0.00 0.00 175.52 175.83 3gor h ALA 59 N 0.98 0.16 -0.49 6.16 0.00 -0.04 -0.75 119.26 125.27 3gor h ALA 59 Ca 0.16 -0.11 0.04 0.00 0.00 0.00 0.00 54.91 55.00 3gor h ALA 59 Cb 0.41 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 3gor h ALA 59 CO 0.01 -0.24 0.25 -0.22 0.00 0.00 0.00 179.25 179.05 3gor h LYS 60 N 0.04 0.49 -0.66 0.00 3.11 -0.29 -2.55 116.57 116.71 3gor h LYS 60 Ca 0.04 -0.03 0.00 0.00 -2.81 0.00 0.00 60.65 57.85 3gor h LYS 60 Cb 0.18 -0.11 0.00 0.00 -1.00 0.00 0.00 32.23 31.31 3gor h LYS 60 CO -0.00 0.32 0.00 0.72 -2.81 0.00 0.00 179.45 177.68 3gor n HIS 61 N -4.88 1.02 -2.29 1.91 8.25 -0.95 -4.92 115.22 113.35 3gor n HIS 61 Ca 0.04 -0.47 -0.04 0.00 -0.26 0.00 0.00 57.72 56.99 3gor n HIS 61 Cb 0.12 -0.06 -0.00 0.00 1.12 0.00 0.00 29.99 31.17 3gor n HIS 61 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3gor n GLY 62 N 1.41 -0.38 3.08 -1.41 0.00 -0.35 -4.90 105.19 102.65 3gor n GLY 62 Ca 0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.91 3gor n GLY 62 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3gor s ASP 63 N -1.92 4.83 0.60 1.61 -1.08 -0.84 -4.96 116.67 114.92 3gor s ASP 63 Ca 0.00 -1.78 0.33 0.00 -0.52 0.00 0.00 52.55 50.58 3gor s ASP 63 Cb 0.00 -1.67 1.91 0.00 -1.46 0.00 0.00 42.92 41.69 3gor s ASP 63 CO 0.00 -0.35 2.25 -0.65 0.52 0.00 0.00 175.17 176.94 3gor h PRO 64 N 7.82 0.00 -0.20 4.34 0.11 -1.88 -2.63 132.00 139.56 3gor h PRO 64 Ca -0.13 0.00 -0.09 0.00 0.11 0.00 0.00 66.00 65.89 3gor h PRO 64 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 3gor h PRO 64 CO 0.55 0.02 -0.26 0.66 -0.21 0.00 0.00 178.00 178.76 3gor h SER 65 N 0.00 0.38 -0.27 -2.05 4.64 -1.94 -2.51 113.55 111.80 3gor h SER 65 Ca -0.00 -0.12 0.08 0.00 -0.47 0.00 0.00 61.79 61.27 3gor h SER 65 Cb 0.06 -0.10 -0.01 0.00 -0.31 0.00 0.00 62.40 62.04 3gor h SER 65 CO 0.00 0.64 0.26 -0.07 -0.87 0.00 0.00 176.83 176.79 3gor h LEU 66 N 0.34 0.00 -0.51 5.97 4.07 -1.87 -3.31 115.31 120.01 3gor h LEU 66 Ca 0.05 0.00 0.03 0.00 0.08 0.00 0.00 57.88 58.04 3gor h LEU 66 Cb 0.64 0.00 -0.04 0.00 1.08 0.00 0.00 40.66 42.34 3gor h LEU 66 CO 0.05 0.00 0.29 0.15 -1.08 0.00 0.00 178.44 177.84 3gor h PHE 67 N 0.00 0.53 -0.52 1.13 3.57 -1.61 -2.14 116.94 117.90 3gor h PHE 67 Ca 0.13 0.02 -0.09 0.00 3.53 0.00 0.00 57.97 61.56 3gor h PHE 67 Cb 0.64 -0.17 -0.05 0.00 2.79 0.00 0.00 35.95 39.16 3gor h PHE 67 CO 0.00 0.29 0.09 0.54 -2.23 0.00 0.00 178.31 177.00 3gor n ARG 68 N -4.83 3.66 -1.83 1.11 1.74 -1.24 -4.81 116.66 110.45 3gor n ARG 68 Ca 0.04 -3.05 -0.42 0.00 -0.77 0.00 0.00 57.85 53.65 3gor n ARG 68 Cb 0.10 -2.09 -0.03 0.00 -1.02 0.00 0.00 32.46 29.42 3gor n ARG 68 CO 0.00 0.00 0.00 -1.14 -1.52 0.00 0.00 177.63 174.97 3gor s GLN 69 N -2.91 4.17 0.13 5.56 0.74 -0.81 -4.93 119.66 121.61 3gor s GLN 69 Ca 0.50 2.43 -0.31 0.00 0.05 0.00 0.00 55.36 58.03 3gor s GLN 69 Cb 0.40 -3.86 -0.08 0.00 1.10 0.00 0.00 33.01 30.57 3gor s GLN 69 CO 0.12 -0.85 1.38 0.21 -0.55 0.00 0.00 175.29 175.60 3gor s LYS 70 N 3.54 4.33 -0.25 1.67 2.20 -1.26 -4.99 119.74 124.98 3gor s LYS 70 Ca 0.79 2.08 -0.16 0.00 -0.36 0.00 0.00 55.97 58.32 3gor s LYS 70 Cb -0.40 -3.23 -0.04 0.00 -1.51 0.00 0.00 37.83 32.65 3gor s LYS 70 CO 0.35 -0.40 0.41 0.42 -0.36 0.00 0.00 175.35 175.77 3gor s ILE 71 N 0.88 5.16 -0.28 5.43 1.01 -1.26 -5.05 121.20 127.08 3gor s ILE 71 Ca 0.63 0.66 -0.06 0.00 0.00 0.00 0.00 60.65 61.89 3gor s ILE 71 Cb -0.37 -3.73 0.01 0.00 0.01 0.00 0.00 42.46 38.38 3gor s ILE 71 CO 0.32 0.17 0.05 -0.70 0.00 0.00 0.00 174.94 174.77 3gor s GLU 72 N 1.94 3.06 -0.05 2.79 2.12 -1.26 -5.08 118.70 122.22 3gor s GLU 72 Ca 0.17 -0.87 -0.00 0.00 0.36 0.00 0.00 54.97 54.63 3gor s GLU 72 Cb -0.15 -3.28 0.03 0.00 0.26 0.00 0.00 34.13 30.98 3gor s GLU 72 CO 0.09 -0.42 -0.01 -2.00 -0.54 0.00 0.00 175.26 172.38 3gor s GLU 73 N 1.46 0.54 0.00 4.30 2.56 -1.26 -5.02 118.70 121.28 3gor s GLU 73 Ca 0.02 0.06 0.29 0.00 0.00 0.00 0.00 54.97 55.34 3gor s GLU 73 Cb -0.17 -0.76 1.27 0.00 2.00 0.00 0.00 34.13 36.46 3gor s GLU 73 CO 0.01 -0.19 1.94 -2.30 -0.56 0.00 0.00 175.26 174.15 3gor n PRO 74 N 4.56 0.07 -0.23 4.30 -0.02 -1.26 -4.63 135.00 137.80 3gor n PRO 74 Ca -0.17 -0.00 0.01 0.00 -2.02 0.00 0.00 63.50 61.32 3gor n PRO 74 Cb 0.50 -1.50 0.10 0.00 -0.02 0.00 0.00 33.50 32.58 3gor n PRO 74 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 3gor h GLU 75 N 0.01 0.04 0.00 -0.52 4.57 -2.02 -3.45 114.58 113.21 3gor h GLU 75 Ca 0.00 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 3gor h GLU 75 Cb 0.47 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.05 3gor h GLU 75 CO 0.00 0.03 0.00 2.41 -1.18 0.00 0.00 179.01 180.27 3gor n THR 76 N -5.39 0.00 -2.31 0.32 -1.04 -1.26 -4.89 114.28 99.71 3gor n THR 76 Ca 0.10 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.68 3gor n THR 76 Cb 0.38 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.86 3gor n THR 76 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3gor s ASN 77 N 0.00 6.26 0.15 8.00 3.84 -1.26 -4.92 114.94 127.00 3gor s ASN 77 Ca 0.00 0.84 -0.27 0.00 0.21 0.00 0.00 52.86 53.64 3gor s ASN 77 Cb 0.00 -2.54 -0.01 0.00 -0.55 0.00 0.00 41.25 38.16 3gor s ASN 77 CO 0.00 -1.50 1.58 -0.07 -2.79 0.00 0.00 177.10 174.32 3gor h LEU 78 N 12.49 -1.34 -0.73 3.21 3.38 -1.96 -1.34 115.31 129.01 3gor h LEU 78 Ca -0.28 0.20 0.10 0.00 0.09 0.00 0.00 57.88 57.99 3gor h LEU 78 Cb 1.11 0.58 -0.07 0.00 0.09 0.00 0.00 40.66 42.37 3gor h LEU 78 CO 1.09 -0.37 0.37 0.00 0.09 0.00 0.00 178.44 179.61 3gor h ALA 79 N 0.40 1.02 -0.15 1.53 0.00 -1.91 0.55 119.26 120.69 3gor h ALA 79 Ca 0.13 0.05 -0.05 0.00 0.00 0.00 0.00 54.91 55.05 3gor h ALA 79 Cb 0.59 -0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.32 3gor h ALA 79 CO -0.52 -0.03 -0.08 -0.22 0.00 0.00 0.00 179.25 178.39 3gor h LYS 80 N 0.62 0.33 -0.79 0.00 3.64 -1.88 -1.57 116.57 116.92 3gor h LYS 80 Ca 0.36 -0.15 0.17 0.00 -1.27 0.00 0.00 60.65 59.76 3gor h LYS 80 Cb 0.39 -0.01 -0.11 0.00 -0.41 0.00 0.00 32.23 32.09 3gor h LYS 80 CO -0.27 0.65 0.29 1.25 -2.27 0.00 0.00 179.45 179.10 3gor h LEU 81 N -0.01 0.23 -0.05 5.20 5.85 -0.39 -0.80 115.31 125.34 3gor h LEU 81 Ca 0.03 0.13 -0.00 0.00 0.84 0.00 0.00 57.88 58.88 3gor h LEU 81 Cb 0.56 0.13 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 3gor h LEU 81 CO 0.02 0.05 0.03 0.00 -0.34 0.00 0.00 178.44 178.20 3gor h ALA 82 N 1.60 0.07 -0.50 1.25 0.00 0.59 -1.79 119.26 120.48 3gor h ALA 82 Ca 0.45 -0.03 -0.10 0.00 0.00 0.00 0.00 54.91 55.23 3gor h ALA 82 Cb 0.75 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3gor h ALA 82 CO -0.46 -0.41 -0.10 0.93 0.00 0.00 0.00 179.25 179.22 3gor h GLU 83 N 0.02 0.91 0.55 0.00 5.08 -0.88 -0.92 114.58 119.35 3gor h GLU 83 Ca 0.02 -0.31 -0.02 0.00 -1.00 0.00 0.00 59.36 58.05 3gor h GLU 83 Cb 0.05 -0.07 -0.01 0.00 0.50 0.00 0.00 28.75 29.22 3gor h GLU 83 CO -0.00 0.96 -0.38 1.15 -1.00 0.00 0.00 179.01 179.74 3gor h THR 84 N 0.82 0.23 0.00 1.13 2.02 -1.00 -2.20 112.91 113.91 3gor h THR 84 Ca 0.13 0.00 -0.06 0.00 0.77 0.00 0.00 66.41 67.25 3gor h THR 84 Cb 0.62 0.23 -0.01 0.00 -1.74 0.00 0.00 68.15 67.25 3gor h THR 84 CO 0.04 0.00 -0.31 1.88 0.37 0.00 0.00 175.52 177.50 3gor h TYR 85 N -0.89 0.00 -0.45 3.16 0.05 -1.28 -1.40 116.97 116.16 3gor h TYR 85 Ca -0.06 0.00 -0.13 0.00 0.05 0.00 0.00 58.73 58.59 3gor h TYR 85 Cb 0.74 0.00 -0.01 0.00 1.01 0.00 0.00 36.73 38.47 3gor h TYR 85 CO -0.13 0.31 -0.22 1.15 -1.05 0.00 0.00 178.16 178.22 3gor h THR 86 N 0.00 1.27 -0.32 -2.88 2.02 -1.13 -0.25 112.91 111.62 3gor h THR 86 Ca -0.00 -1.37 -0.11 0.00 0.77 0.00 0.00 66.41 65.70 3gor h THR 86 Cb 0.87 1.15 -0.01 0.00 -1.74 0.00 0.00 68.15 68.43 3gor h THR 86 CO 0.04 0.47 -0.22 -0.08 0.37 0.00 0.00 175.52 176.10 3gor h GLU 87 N 0.79 0.72 -0.44 6.66 4.57 -0.94 -0.51 114.58 125.43 3gor h GLU 87 Ca 0.10 -0.34 -0.00 0.00 -1.18 0.00 0.00 59.36 57.94 3gor h GLU 87 Cb 0.77 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 29.34 3gor h GLU 87 CO 0.06 0.95 0.27 0.87 -1.18 0.00 0.00 179.01 179.99 3gor h LYS 88 N 0.49 0.60 -0.41 1.92 1.57 -1.20 -1.47 116.57 118.07 3gor h LYS 88 Ca 0.06 -0.06 -0.02 0.00 -1.87 0.00 0.00 60.65 58.77 3gor h LYS 88 Cb 0.77 -0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.94 3gor h LYS 88 CO 0.06 0.44 0.16 1.15 -0.57 0.00 0.00 179.45 180.70 3gor h THR 89 N 0.59 1.20 -0.71 -0.16 2.02 -0.97 -1.76 112.91 113.11 3gor h THR 89 Ca 0.16 -0.61 0.05 0.00 0.77 0.00 0.00 66.41 66.78 3gor h THR 89 Cb -0.00 0.83 -0.05 0.00 -1.74 0.00 0.00 68.15 67.19 3gor h THR 89 CO -0.03 0.22 0.43 -0.09 0.37 0.00 0.00 175.52 176.42 3gor h ARG 90 N 0.52 0.78 -0.33 6.66 2.43 -0.91 -2.54 114.38 120.99 3gor h ARG 90 Ca 0.14 -0.05 -0.16 0.00 -0.81 0.00 0.00 59.98 59.10 3gor h ARG 90 Cb 0.19 -0.18 -0.00 0.00 -0.42 0.00 0.00 29.97 29.56 3gor h ARG 90 CO -0.01 0.52 -0.44 1.96 -1.51 0.00 0.00 179.97 180.48 3gor h GLN 91 N 0.80 0.84 -0.24 0.20 4.20 -0.97 -1.03 115.11 118.91 3gor h GLN 91 Ca 0.31 -0.47 0.03 0.00 0.06 0.00 0.00 58.65 58.58 3gor h GLN 91 Cb 0.12 0.03 -0.03 0.00 0.30 0.00 0.00 27.48 27.90 3gor h GLN 91 CO -0.15 1.11 0.05 -0.07 -0.67 0.00 0.00 178.83 179.10 3gor h LEU 92 N 0.68 0.01 -0.45 1.46 3.38 -1.12 -2.28 115.31 116.99 3gor h LEU 92 Ca 0.04 0.04 -0.13 0.00 0.09 0.00 0.00 57.88 57.92 3gor h LEU 92 Cb 1.03 0.05 -0.01 0.00 0.09 0.00 0.00 40.66 41.82 3gor h LEU 92 CO 0.10 0.04 -0.21 0.40 0.09 0.00 0.00 178.44 178.86 3gor h ILE 93 N 0.14 1.27 0.00 1.22 2.04 -1.30 -2.83 117.51 118.06 3gor h ILE 93 Ca 0.11 -1.37 -0.02 0.00 1.00 0.00 0.00 64.86 64.59 3gor h ILE 93 Cb 0.11 1.20 -0.00 0.00 -0.74 0.00 0.00 36.82 37.39 3gor h ILE 93 CO -0.15 0.47 -0.09 -0.08 0.00 0.00 0.00 178.15 178.30 3gor h GLU 94 N 0.77 0.00 -3.94 2.37 4.81 -1.00 -3.44 114.58 114.14 3gor h GLU 94 Ca 0.10 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.58 3gor h GLU 94 Cb 0.78 0.00 -0.15 0.00 0.63 0.00 0.00 28.75 30.01 3gor h GLU 94 CO 0.06 0.09 1.92 -1.13 -0.73 0.00 0.00 179.01 179.22 3gor n SER 95 N -3.62 5.05 -4.30 1.04 3.41 -0.87 -4.87 113.62 109.46 3gor n SER 95 Ca -0.02 -3.05 -0.20 0.00 -0.26 0.00 0.00 58.87 55.34 3gor n SER 95 Cb 0.20 -1.52 -0.10 0.00 -0.26 0.00 0.00 64.21 62.53 3gor n SER 95 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 3gor s SER 97 N 1.63 1.94 0.35 4.04 1.04 -1.26 -5.10 113.70 116.35 3gor s SER 97 Ca 0.41 -1.45 0.19 0.00 0.48 0.00 0.00 55.95 55.58 3gor s SER 97 Cb 0.06 0.16 0.39 0.00 0.10 0.00 0.00 66.02 66.73 3gor s SER 97 CO 0.00 -0.74 1.59 0.44 0.98 0.00 0.00 173.24 175.52 3gor h ASP 98 N 2.16 0.00 0.78 7.02 5.19 -2.01 -3.01 116.42 126.56 3gor h ASP 98 Ca -0.38 0.00 -0.15 0.00 -0.62 0.00 0.00 57.03 55.88 3gor h ASP 98 Cb 1.25 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 40.74 3gor h ASP 98 CO 0.62 0.35 -0.70 0.44 -3.12 0.00 0.00 179.24 176.84 3gor h ASP 99 N 0.00 0.00 -0.93 6.45 5.19 -2.04 -3.14 116.42 121.94 3gor h ASP 99 Ca -0.00 0.00 0.12 0.00 -0.62 0.00 0.00 57.03 56.53 3gor h ASP 99 Cb 1.12 0.00 -0.07 0.00 0.18 0.00 0.00 39.33 40.56 3gor h ASP 99 CO 0.05 0.70 0.60 0.44 -3.12 0.00 0.00 179.24 177.90 3gor h ASP 100 N 0.00 0.79 0.35 6.45 3.32 -1.95 0.15 116.42 125.53 3gor h ASP 100 Ca -0.01 0.04 0.00 0.00 0.02 0.00 0.00 57.03 57.08 3gor h ASP 100 Cb 1.28 -0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3gor h ASP 100 CO 0.09 0.42 0.00 0.49 -1.72 0.00 0.00 179.24 178.52 3gor n PHE 101 N -4.58 0.00 0.43 4.55 3.01 -1.19 -1.82 117.46 117.87 3gor n PHE 101 Ca 0.17 0.00 0.08 0.00 1.01 0.00 0.00 57.45 58.71 3gor n PHE 101 Cb 0.39 -0.43 -0.11 0.00 -0.01 0.00 0.00 39.48 39.32 3gor n PHE 101 CO 0.00 0.00 0.00 -0.25 1.01 0.00 0.00 176.76 177.52 3gor n ASP 102 N -1.43 0.97 -4.69 4.37 8.00 0.50 -2.49 116.55 121.78 3gor n ASP 102 Ca 0.04 -0.50 -0.42 0.00 0.71 0.00 0.00 54.79 54.61 3gor n ASP 102 Cb 0.12 1.32 -0.00 0.00 -0.02 0.00 0.00 41.12 42.54 3gor n ASP 102 CO 0.00 0.00 0.00 -1.14 -0.39 0.00 0.00 177.20 175.67 3gor n ARG 103 N -1.67 2.02 -3.27 -1.24 0.63 -0.75 -4.62 116.66 107.77 3gor n ARG 103 Ca 0.00 0.71 -0.38 0.00 -0.92 0.00 0.00 57.85 57.26 3gor n ARG 103 Cb 0.32 -2.31 -0.06 0.00 0.45 0.00 0.00 32.46 30.86 3gor n ARG 103 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 3gor s THR 104 N -1.13 5.00 -0.18 5.15 2.01 -1.26 -0.80 115.64 124.43 3gor s THR 104 Ca 0.57 1.12 -0.05 0.00 0.31 0.00 0.00 61.69 63.64 3gor s THR 104 Cb -0.56 -3.88 -0.03 0.00 0.01 0.00 0.00 72.50 68.05 3gor s THR 104 CO 0.61 0.41 0.01 -0.76 -0.69 0.00 0.00 174.62 174.20 3gor s LEU 105 N -0.04 3.45 -0.76 4.42 1.43 -1.26 -4.94 118.68 120.98 3gor s LEU 105 Ca 0.29 -0.08 -0.23 0.00 -1.03 0.00 0.00 54.13 53.08 3gor s LEU 105 Cb -0.17 -1.86 0.07 0.00 0.03 0.00 0.00 46.19 44.26 3gor s LEU 105 CO 0.15 0.13 1.10 -0.62 0.23 0.00 0.00 176.35 177.34 3gor s ASP 106 N 0.60 6.28 -0.15 2.29 -1.08 -1.26 -4.44 116.67 118.90 3gor s ASP 106 Ca 0.00 -1.10 0.18 0.00 -0.52 0.00 0.00 52.55 51.11 3gor s ASP 106 Cb -0.14 -2.46 0.36 0.00 -1.46 0.00 0.00 42.92 39.22 3gor s ASP 106 CO 0.02 -1.47 1.23 0.18 0.52 0.00 0.00 175.17 175.65 3gor n LEU 107 N 7.98 2.78 -0.31 -1.34 4.77 -1.00 -4.71 117.00 125.16 3gor n LEU 107 Ca 0.06 -3.16 -0.00 0.00 -0.03 0.00 0.00 56.01 52.87 3gor n LEU 107 Cb 0.47 -0.47 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3gor n LEU 107 CO 0.63 0.78 1.20 0.74 -1.33 0.00 0.00 177.39 179.42 3gor h THR 108 N 0.51 1.09 0.00 -5.08 2.02 -1.79 0.43 112.91 110.09 3gor h THR 108 Ca 0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.84 3gor h THR 108 Cb 1.12 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.51 3gor h THR 108 CO 0.06 0.19 0.12 0.00 0.37 0.00 0.00 175.52 176.26 3gor h ALA 109 N 1.38 1.11 0.00 6.16 0.00 -1.89 0.15 119.26 126.17 3gor h ALA 109 Ca 0.36 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.26 3gor h ALA 109 Cb 0.09 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gor h ALA 109 CO -0.14 -0.11 -0.58 -0.89 0.00 0.00 0.00 179.25 177.53 3gor n ILE 110 N -2.80 0.63 0.55 0.00 5.41 0.13 -4.75 119.36 118.53 3gor n ILE 110 Ca -0.02 0.18 0.09 0.00 1.00 0.00 0.00 62.75 64.00 3gor n ILE 110 Cb 0.17 -1.57 0.11 0.00 -0.71 0.00 0.00 39.64 37.65 3gor n ILE 110 CO 0.00 0.00 0.00 0.49 0.00 0.00 0.00 176.55 177.04 3gor n PHE 111 N -3.28 0.15 -3.50 1.39 3.72 0.13 -4.97 117.46 111.09 3gor n PHE 111 Ca -0.01 -0.10 -0.21 0.00 -0.05 0.00 0.00 57.45 57.08 3gor n PHE 111 Cb 0.28 -0.00 0.08 0.00 -0.94 0.00 0.00 39.48 38.90 3gor n PHE 111 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3gor n GLY 112 N 1.05 -0.44 3.63 1.37 0.00 0.52 -4.91 105.19 106.41 3gor n GLY 112 Ca 0.12 0.18 -0.03 0.00 0.00 0.00 0.00 46.02 46.29 3gor n GLY 112 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3gor s THR 113 N -3.32 0.00 0.45 2.61 -1.32 -1.22 -4.80 115.64 108.04 3gor s THR 113 Ca 0.38 0.00 0.04 0.00 -1.21 0.00 0.00 61.69 60.91 3gor s THR 113 Cb -0.17 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 69.83 3gor s THR 113 CO 0.70 0.00 0.64 -1.10 -2.21 0.00 0.00 174.62 172.65 3gor s GLN 114 N -1.61 2.81 0.16 7.08 -0.21 -1.26 -2.37 119.66 124.26 3gor s GLN 114 Ca 0.09 -0.95 -0.02 0.00 0.02 0.00 0.00 55.36 54.50 3gor s GLN 114 Cb -0.01 -2.65 -0.05 0.00 1.00 0.00 0.00 33.01 31.30 3gor s GLN 114 CO -0.05 -0.37 0.36 -1.54 -2.12 0.00 0.00 175.29 171.57 3gor s SER 116 N -4.33 6.42 0.52 5.90 1.04 -1.26 -4.95 113.70 117.04 3gor s SER 116 Ca 0.53 0.45 0.17 0.00 0.48 0.00 0.00 55.95 57.58 3gor s SER 116 Cb -0.10 -2.03 1.27 0.00 0.10 0.00 0.00 66.02 65.26 3gor s SER 116 CO 0.35 0.02 2.13 0.74 0.98 0.00 0.00 173.24 177.46 3gor h THR 117 N 1.81 0.97 -0.24 2.02 2.02 -1.08 -1.29 112.91 117.12 3gor h THR 117 Ca -0.47 -0.01 -0.17 0.00 0.77 0.00 0.00 66.41 66.53 3gor h THR 117 Cb 1.18 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 68.53 3gor h THR 117 CO 0.71 0.00 -0.52 0.00 0.37 0.00 0.00 175.52 176.08 3gor h ALA 118 N 1.95 0.38 -0.53 6.16 0.00 -1.77 -1.09 119.26 124.37 3gor h ALA 118 Ca 0.04 -0.50 -0.04 0.00 0.00 0.00 0.00 54.91 54.41 3gor h ALA 118 Cb 0.13 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.84 3gor h ALA 118 CO -0.00 0.58 0.16 1.96 0.00 0.00 0.00 179.25 181.95 3gor h GLN 119 N 0.51 0.79 -0.41 0.00 4.20 -1.70 -0.82 115.11 117.68 3gor h GLN 119 Ca 0.00 -0.14 -0.06 0.00 0.06 0.00 0.00 58.65 58.52 3gor h GLN 119 Cb 1.13 -0.13 -0.02 0.00 0.30 0.00 0.00 27.48 28.77 3gor h GLN 119 CO 0.11 0.68 0.03 0.35 -0.67 0.00 0.00 178.83 179.34 3gor h PHE 120 N 0.77 0.76 -0.02 2.96 3.57 -1.11 -0.92 116.94 122.95 3gor h PHE 120 Ca 0.18 -0.12 -0.11 0.00 3.53 0.00 0.00 57.97 61.44 3gor h PHE 120 Cb 0.23 -0.20 -0.01 0.00 2.79 0.00 0.00 35.95 38.75 3gor h PHE 120 CO 0.01 0.76 -0.52 -0.07 -2.23 0.00 0.00 178.31 176.26 3gor h LEU 121 N 0.55 0.06 -0.85 0.59 3.38 -0.95 -1.99 115.31 116.10 3gor h LEU 121 Ca 0.12 -0.03 -0.11 0.00 0.09 0.00 0.00 57.88 57.95 3gor h LEU 121 Cb 0.44 -0.02 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 3gor h LEU 121 CO 0.02 0.57 -0.27 -0.61 0.09 0.00 0.00 178.44 178.24 3gor h GLN 122 N 0.04 0.54 -0.81 1.13 5.75 -0.76 -2.22 115.11 118.79 3gor h GLN 122 Ca -0.00 -0.22 -0.04 0.00 -0.15 0.00 0.00 58.65 58.24 3gor h GLN 122 Cb 0.94 -0.03 -0.04 0.00 1.07 0.00 0.00 27.48 29.43 3gor h GLN 122 CO 0.07 0.77 0.36 1.25 -2.65 0.00 0.00 178.83 178.63 3gor h LEU 123 N 0.47 1.08 -1.48 -2.39 5.85 -0.68 -0.54 115.31 117.63 3gor h LEU 123 Ca 0.06 -0.14 0.00 0.00 0.84 0.00 0.00 57.88 58.64 3gor h LEU 123 Cb 0.72 -0.28 0.00 0.00 0.37 0.00 0.00 40.66 41.47 3gor h LEU 123 CO 0.06 0.93 0.00 0.00 -0.34 0.00 0.00 178.44 179.09 3gor n ALA 124 N -2.43 1.48 0.00 1.25 0.00 -0.79 -1.18 120.51 118.84 3gor n ALA 124 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.52 3gor n ALA 124 Cb 0.16 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.61 3gor n ALA 124 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3gor n ASP 126 N 0.64 0.00 -0.01 0.00 8.00 -0.21 -1.23 116.55 123.74 3gor n ASP 126 Ca 0.00 0.00 -0.13 0.00 0.71 0.00 0.00 54.79 55.37 3gor n ASP 126 Cb 0.07 0.00 -0.10 0.00 -0.02 0.00 0.00 41.12 41.07 3gor n ASP 126 CO 0.00 0.00 0.00 -0.74 -0.39 0.00 0.00 177.20 176.07 3gor h HIS 127 N 0.00 0.01 -0.29 1.24 2.76 -1.41 0.10 115.15 117.57 3gor h HIS 127 Ca 0.00 -0.00 0.06 0.00 -2.20 0.00 0.00 60.37 58.22 3gor h HIS 127 Cb 0.00 -0.00 -0.05 0.00 1.55 0.00 0.00 27.41 28.90 3gor h HIS 127 CO 0.00 0.49 -0.08 1.49 -1.30 0.00 0.00 177.93 178.54 3gor h GLU 128 N -0.48 -0.01 -0.69 5.26 4.57 -1.43 -1.10 114.58 120.71 3gor h GLU 128 Ca 0.00 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.15 3gor h GLU 128 Cb 0.49 0.00 -0.03 0.00 -0.16 0.00 0.00 28.75 29.05 3gor h GLU 128 CO 0.00 -0.00 0.33 0.82 -1.18 0.00 0.00 179.01 178.97 3gor h ILE 129 N -0.01 1.23 -0.14 2.32 2.04 -1.81 0.19 117.51 121.33 3gor h ILE 129 Ca 0.14 -0.66 0.04 0.00 1.00 0.00 0.00 64.86 65.38 3gor h ILE 129 Cb 0.22 0.39 -0.04 0.00 -0.74 0.00 0.00 36.82 36.64 3gor h ILE 129 CO -0.30 0.27 -0.12 -0.74 0.00 0.00 0.00 178.15 177.26 3gor h HIS 130 N 0.96 -0.31 -0.06 1.37 2.76 -0.76 -1.50 115.15 117.61 3gor h HIS 130 Ca 0.24 0.02 -0.15 0.00 -2.20 0.00 0.00 60.37 58.28 3gor h HIS 130 Cb 0.13 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 3gor h HIS 130 CO 0.01 -0.18 -0.61 0.45 -1.30 0.00 0.00 177.93 176.29 3gor h HIS 131 N -0.14 0.30 -0.60 5.26 3.86 -0.85 -2.75 115.15 120.22 3gor h HIS 131 Ca 0.09 -0.11 -0.03 0.00 -1.16 0.00 0.00 60.37 59.16 3gor h HIS 131 Cb 0.28 -0.05 -0.03 0.00 1.06 0.00 0.00 27.41 28.67 3gor h HIS 131 CO -0.25 0.78 0.26 -0.22 0.86 0.00 0.00 177.93 179.36 3gor h LYS 132 N 0.17 0.86 -0.70 2.45 3.64 -0.81 0.44 116.57 122.62 3gor h LYS 132 Ca -0.01 -0.12 0.04 0.00 -1.27 0.00 0.00 60.65 59.29 3gor h LYS 132 Cb 1.12 -0.16 -0.05 0.00 -0.41 0.00 0.00 32.23 32.74 3gor h LYS 132 CO 0.09 0.69 0.43 0.78 -2.27 0.00 0.00 179.45 179.17 3gor h GLY 133 N 0.96 1.01 0.97 5.01 0.00 -0.98 -1.27 103.07 108.78 3gor h GLY 133 Ca 0.21 -0.32 -0.05 0.00 0.00 0.00 0.00 47.33 47.17 3gor h GLY 133 CO -0.02 0.25 0.11 1.46 0.00 0.00 0.00 176.54 178.34 3gor h GLN 134 N 0.82 0.78 -0.99 4.80 4.20 -1.23 -2.94 115.11 120.55 3gor h GLN 134 Ca 0.29 -0.19 0.09 0.00 0.06 0.00 0.00 58.65 58.89 3gor h GLN 134 Cb 0.06 -0.10 -0.07 0.00 0.30 0.00 0.00 27.48 27.67 3gor h GLN 134 CO -0.13 0.76 0.63 1.25 -0.67 0.00 0.00 178.83 180.68 3gor h LEU 135 N 0.67 0.98 -0.77 1.46 5.85 -0.36 0.79 115.31 123.93 3gor h LEU 135 Ca 0.15 0.03 0.14 0.00 0.84 0.00 0.00 57.88 59.03 3gor h LEU 135 Cb 0.34 -0.18 -0.09 0.00 0.37 0.00 0.00 40.66 41.10 3gor h LEU 135 CO 0.00 0.59 0.34 -0.26 -0.34 0.00 0.00 178.44 178.77 3gor h PHE 136 N 1.09 0.59 -0.31 1.25 -1.00 -1.07 0.16 116.94 117.66 3gor h PHE 136 Ca 0.45 0.03 -0.08 0.00 2.81 0.00 0.00 57.97 61.19 3gor h PHE 136 Cb 0.29 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.70 3gor h PHE 136 CO -0.01 0.11 -0.13 0.28 -1.61 0.00 0.00 178.31 176.96 3gor h VAL 137 N 0.51 1.29 0.04 -0.55 2.07 -0.86 -2.38 116.25 116.36 3gor h VAL 137 Ca 0.42 -1.21 0.03 0.00 0.82 0.00 0.00 66.70 66.75 3gor h VAL 137 Cb 0.60 1.43 -0.05 0.00 -1.52 0.00 0.00 31.29 31.75 3gor h VAL 137 CO -0.38 0.39 -0.43 1.88 0.02 0.00 0.00 177.57 179.05 3gor h TYR 138 N 0.39 -1.23 -0.98 1.57 -1.99 -0.50 -1.09 116.97 113.15 3gor h TYR 138 Ca 0.07 0.04 0.02 0.00 2.00 0.00 0.00 58.73 60.86 3gor h TYR 138 Cb 0.64 0.53 -0.05 0.00 2.00 0.00 0.00 36.73 39.85 3gor h TYR 138 CO 0.06 -0.51 0.65 0.28 -0.00 0.00 0.00 178.16 178.63 3gor h VAL 139 N -0.61 1.23 -0.72 -2.88 2.07 -0.92 -0.14 116.25 114.28 3gor h VAL 139 Ca 0.04 -0.45 -0.06 0.00 0.82 0.00 0.00 66.70 67.05 3gor h VAL 139 Cb 0.67 -0.19 -0.03 0.00 -1.52 0.00 0.00 31.29 30.22 3gor h VAL 139 CO -0.30 0.24 0.22 0.03 0.02 0.00 0.00 177.57 177.78 3gor h ARG 140 N 1.30 1.12 -1.89 1.57 3.08 -1.29 -2.62 114.38 115.65 3gor h ARG 140 Ca 0.37 -0.24 0.00 0.00 0.07 0.00 0.00 59.98 60.18 3gor h ARG 140 Cb -0.11 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 29.78 3gor h ARG 140 CO -0.09 0.96 0.00 0.41 -1.07 0.00 0.00 179.97 180.18 3gor n GLY 141 N -0.78 0.09 0.00 0.04 0.00 -0.07 -3.82 105.19 100.66 3gor n GLY 141 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 3gor n GLY 141 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gor n GLY 143 N 1.13 0.22 3.73 -0.02 0.00 -1.10 -5.10 105.19 104.05 3gor n GLY 143 Ca 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.61 3gor n GLY 143 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3gor s HIS 144 N -0.08 3.66 -0.01 1.61 3.76 -1.01 -4.93 115.29 118.29 3gor s HIS 144 Ca 0.00 1.65 0.03 0.00 -0.15 0.00 0.00 55.06 56.59 3gor s HIS 144 Cb 0.00 -3.20 -0.04 0.00 1.11 0.00 0.00 32.58 30.44 3gor s HIS 144 CO 0.00 -0.36 0.05 2.41 -0.85 0.00 0.00 174.74 175.99 3gor n THR 145 N 2.69 0.05 -2.98 1.30 -1.04 -1.26 -4.02 114.28 109.02 3gor n THR 145 Ca 0.03 -0.08 -0.44 0.00 -2.04 0.00 0.00 64.05 61.52 3gor n THR 145 Cb 0.47 0.08 -0.02 0.00 -1.82 0.00 0.00 70.33 69.04 3gor n THR 145 CO 0.00 0.00 0.00 1.51 -0.64 0.00 0.00 175.07 175.94 3gor s ASP 146 N -2.60 6.71 0.05 8.00 1.47 -1.26 -5.01 116.67 124.02 3gor s ASP 146 Ca -0.01 -2.25 0.03 0.00 1.18 0.00 0.00 52.55 51.50 3gor s ASP 146 Cb 0.02 -2.38 -0.04 0.00 -0.34 0.00 0.00 42.92 40.18 3gor s ASP 146 CO 0.12 -0.96 0.01 -0.76 0.68 0.00 0.00 175.17 174.26 3gor s LEU 147 N 2.21 3.54 0.86 2.11 1.43 -1.26 -5.10 118.68 122.47 3gor s LEU 147 Ca 0.32 -0.08 -0.11 0.00 -1.03 0.00 0.00 54.13 53.24 3gor s LEU 147 Cb -0.05 -2.17 0.11 0.00 0.03 0.00 0.00 46.19 44.11 3gor s LEU 147 CO -0.08 0.22 1.11 -2.84 0.23 0.00 0.00 176.35 174.99 3gor s PRO 148 N -2.01 1.54 0.49 1.29 0.02 -1.26 -4.98 135.00 130.10 3gor s PRO 148 Ca 0.24 1.27 -0.24 0.00 0.02 0.00 0.00 61.00 62.29 3gor s PRO 148 Cb -0.12 -1.81 -0.07 0.00 0.02 0.00 0.00 34.50 32.53 3gor s PRO 148 CO 0.16 -2.17 1.41 1.28 -0.33 0.00 0.00 177.00 177.34 3gor n LEU 149 N -3.89 5.33 0.23 -5.54 4.32 -1.26 -4.88 117.00 111.31 3gor n LEU 149 Ca 0.10 1.06 0.18 0.00 -0.02 0.00 0.00 56.01 57.32 3gor n LEU 149 Cb 0.53 -1.59 0.86 0.00 -1.62 0.00 0.00 43.42 41.60 3gor n LEU 149 CO 0.52 -0.33 1.15 2.19 -1.22 0.00 0.00 177.39 179.70 3gor h PHE 150 N 1.91 0.00 -3.80 -1.77 -0.00 -1.98 -3.40 116.94 107.90 3gor h PHE 150 Ca -0.51 0.00 -0.26 0.00 -0.00 0.00 0.00 57.97 57.20 3gor h PHE 150 Cb 1.28 0.00 -0.28 0.00 -0.00 0.00 0.00 35.95 36.95 3gor h PHE 150 CO 0.48 0.00 -0.73 0.54 -0.00 0.00 0.00 178.31 178.60 3gor s VAL 151 N -4.44 0.16 -0.15 0.88 0.11 -1.26 -4.85 120.40 110.85 3gor s VAL 151 Ca -0.04 -0.11 -0.25 0.00 -2.93 0.00 0.00 61.98 58.65 3gor s VAL 151 Cb 0.13 -0.15 -0.02 0.00 -1.53 0.00 0.00 36.38 34.82 3gor s VAL 151 CO 0.46 0.03 0.79 -0.54 -3.33 0.00 0.00 175.10 172.51 3gor s LYS 152 N -0.09 4.32 0.00 1.54 1.02 0.38 -4.91 119.74 122.00 3gor s LYS 152 Ca 0.00 0.96 0.00 0.00 0.02 0.00 0.00 55.97 56.95 3gor s LYS 152 Cb -0.01 -3.55 0.00 0.00 -0.52 0.00 0.00 37.83 33.75 3gor s LYS 152 CO -0.00 -0.25 0.09 -2.13 -0.92 0.00 0.00 175.35 172.14 3gor n ARG 153 N 4.93 0.00 0.00 1.68 3.00 -1.26 -4.70 116.66 120.31 3gor n ARG 153 Ca 0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.88 3gor n ARG 153 Cb 0.49 -1.43 0.00 0.00 0.00 0.00 0.00 32.46 31.53 3gor n ARG 153 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04