#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gor n ASN -1 N 0.00 -0.19 -0.92 6.43 4.13 -1.26 -4.95 115.26 118.50 3gor n ASN -1 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 3gor n ASN -1 Cb 0.00 -0.07 0.00 0.00 -1.54 0.00 0.00 39.78 38.17 3gor n ASN -1 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 3gor n ALA 0 N -0.11 1.34 0.00 5.41 0.00 -1.26 -4.69 120.51 121.19 3gor n ALA 0 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3gor n ALA 0 Cb 0.05 -0.95 0.00 0.00 0.00 0.00 0.00 19.45 18.54 3gor n ALA 0 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 3gor n SER 2 N 0.88 0.00 0.16 0.00 7.64 -1.26 -5.22 113.62 115.82 3gor n SER 2 Ca 0.00 0.00 -0.14 0.00 1.01 0.00 0.00 58.87 59.74 3gor n SER 2 Cb 0.00 0.00 -0.08 0.00 -1.01 0.00 0.00 64.21 63.12 3gor n SER 2 CO 0.00 0.00 0.00 0.03 -3.01 0.00 0.00 175.04 172.06 3gor h ARG 3 N 0.00 -0.36 -0.57 1.43 3.08 -1.94 -1.24 114.38 114.78 3gor h ARG 3 Ca 0.00 0.02 0.11 0.00 0.07 0.00 0.00 59.98 60.19 3gor h ARG 3 Cb 0.00 0.08 -0.11 0.00 0.08 0.00 0.00 29.97 30.02 3gor h ARG 3 CO 0.00 -0.12 -0.20 0.00 -1.07 0.00 0.00 179.97 178.58 3gor h ALA 4 N 0.13 0.27 -0.41 0.04 0.00 -1.88 0.38 119.26 117.80 3gor h ALA 4 Ca -0.04 0.21 -0.04 0.00 0.00 0.00 0.00 54.91 55.05 3gor h ALA 4 Cb 0.40 0.53 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 3gor h ALA 4 CO 0.06 -0.50 0.10 -0.22 0.00 0.00 0.00 179.25 178.70 3gor h LYS 5 N -0.06 0.60 -0.20 0.00 3.64 -1.85 0.17 116.57 118.89 3gor h LYS 5 Ca 0.27 -0.10 -0.04 0.00 -1.27 0.00 0.00 60.65 59.51 3gor h LYS 5 Cb 0.47 -0.10 -0.01 0.00 -0.41 0.00 0.00 32.23 32.18 3gor h LYS 5 CO -0.62 0.55 -0.04 0.87 -2.27 0.00 0.00 179.45 177.94 3gor h LYS 6 N 0.59 0.37 -0.85 1.90 1.57 0.04 -2.14 116.57 118.05 3gor h LYS 6 Ca 0.14 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.77 3gor h LYS 6 Cb 0.22 -0.02 -0.04 0.00 0.08 0.00 0.00 32.23 32.47 3gor h LYS 6 CO -0.00 0.62 0.50 -1.49 -0.57 0.00 0.00 179.45 178.51 3gor h TRP 7 N 0.10 1.13 -0.63 -1.35 4.06 -0.26 -0.96 115.95 118.04 3gor h TRP 7 Ca 0.05 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 60.96 3gor h TRP 7 Cb 0.48 -0.37 -0.03 0.00 -1.00 0.00 0.00 29.16 28.24 3gor h TRP 7 CO 0.05 0.76 0.26 0.28 -3.56 0.00 0.00 178.44 176.24 3gor h VAL 8 N 1.18 1.23 -0.56 1.49 2.07 -0.61 0.34 116.25 121.39 3gor h VAL 8 Ca 0.30 -0.70 -0.08 0.00 0.82 0.00 0.00 66.70 67.04 3gor h VAL 8 Cb -0.03 0.52 -0.02 0.00 -1.52 0.00 0.00 31.29 30.24 3gor h VAL 8 CO -0.06 0.28 0.01 -0.61 0.02 0.00 0.00 177.57 177.21 3gor h GLN 9 N 0.88 0.95 -0.22 1.57 4.15 -0.94 0.22 115.11 121.71 3gor h GLN 9 Ca 0.21 -0.28 -0.02 0.00 0.77 0.00 0.00 58.65 59.33 3gor h GLN 9 Cb 0.18 -0.10 -0.01 0.00 0.21 0.00 0.00 27.48 27.77 3gor h GLN 9 CO -0.02 0.93 0.04 -0.92 -1.93 0.00 0.00 178.83 176.94 3gor h TYR 10 N 0.88 0.39 -0.01 3.99 3.20 -0.59 -0.94 116.97 123.88 3gor h TYR 10 Ca 0.16 -0.05 0.03 0.00 3.14 0.00 0.00 58.73 62.01 3gor h TYR 10 Cb 0.50 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.63 3gor h TYR 10 CO 0.03 0.49 -0.18 0.35 -1.64 0.00 0.00 178.16 177.21 3gor h PHE 11 N 0.17 -0.46 0.00 -3.82 3.57 0.07 -2.80 116.94 113.67 3gor h PHE 11 Ca 0.07 0.02 -0.06 0.00 3.53 0.00 0.00 57.97 61.52 3gor h PHE 11 Cb 0.30 0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.24 3gor h PHE 11 CO 0.02 -0.26 -0.31 -0.07 -2.23 0.00 0.00 178.31 175.46 3gor h LEU 12 N -0.29 0.00 -2.02 0.59 3.38 -0.84 0.10 115.31 116.23 3gor h LEU 12 Ca 0.06 0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.01 3gor h LEU 12 Cb 0.36 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 41.11 3gor h LEU 12 CO -0.18 0.31 -0.09 0.77 0.09 0.00 0.00 178.44 179.34 3gor h SER 13 N 0.00 0.00 0.00 -0.43 4.64 -0.89 -1.05 113.55 115.82 3gor h SER 13 Ca -0.00 0.00 -0.33 0.00 -0.47 0.00 0.00 61.79 60.99 3gor h SER 13 Cb 0.57 0.00 -0.05 0.00 -0.31 0.00 0.00 62.40 62.62 3gor h SER 13 CO 0.04 0.09 -1.91 1.41 -0.87 0.00 0.00 176.83 175.59 3gor n HIS 14 N -3.90 0.33 -0.07 4.77 8.25 -0.82 -0.89 115.22 122.89 3gor n HIS 14 Ca -0.02 0.14 0.15 0.00 -0.26 0.00 0.00 57.72 57.72 3gor n HIS 14 Cb 0.19 -0.96 0.55 0.00 1.12 0.00 0.00 29.99 30.89 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 -1.00 0.29 -0.75 -0.41 9.65 -0.81 -1.01 114.38 120.35 3gor h ARG 15 Ca -0.49 -0.02 -0.04 0.00 -1.10 0.00 0.00 59.98 58.33 3gor h ARG 15 Cb 1.40 -0.07 -0.03 0.00 -1.39 0.00 0.00 29.97 29.88 3gor h ARG 15 CO -0.30 0.19 0.32 0.45 2.80 0.00 0.00 179.97 183.44 3gor h HIS 16 N 0.30 1.11 -0.53 2.20 3.86 -1.43 -2.06 115.15 118.60 3gor h HIS 16 Ca 0.28 -0.07 -0.09 0.00 -1.16 0.00 0.00 60.37 59.34 3gor h HIS 16 Cb 0.71 -0.34 -0.02 0.00 1.06 0.00 0.00 27.41 28.82 3gor h HIS 16 CO -0.00 0.83 -0.02 0.28 0.86 0.00 0.00 177.93 179.87 3gor h VAL 17 N 1.08 1.27 0.00 2.45 2.07 -1.43 -1.55 116.25 120.13 3gor h VAL 17 Ca 0.25 -1.14 0.00 0.00 0.82 0.00 0.00 66.70 66.63 3gor h VAL 17 Cb 0.17 0.93 0.00 0.00 -1.52 0.00 0.00 31.29 30.87 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 -4.25 0.00 0.00 2.57 -1.04 -0.73 -1.32 114.28 109.50 3gor n THR 18 Ca 0.01 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.02 3gor n THR 18 Cb 0.34 -0.04 0.00 0.00 -1.82 0.00 0.00 70.33 68.82 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 0.45 0.00 -0.16 -2.82 2.13 -0.59 -1.08 120.64 118.57 3gor n GLU 20 Ca 0.00 0.00 -0.09 0.00 0.66 0.00 0.00 57.16 57.73 3gor n GLU 20 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 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 0.72 -1.29 4.31 3.38 -1.48 -2.95 115.31 117.99 3gor h LEU 21 Ca 0.00 -0.23 0.01 0.00 0.09 0.00 0.00 57.88 57.75 3gor h LEU 21 Cb 0.00 -0.19 -0.04 0.00 0.09 0.00 0.00 40.66 40.52 3gor h LEU 21 CO 0.00 0.76 0.49 0.40 0.09 0.00 0.00 178.44 180.18 3gor h ILE 22 N 0.64 1.17 0.00 1.22 2.04 -1.36 -1.62 117.51 119.59 3gor h ILE 22 Ca 0.15 -0.33 -0.03 0.00 1.00 0.00 0.00 64.86 65.65 3gor h ILE 22 Cb 0.33 0.12 -0.00 0.00 -0.74 0.00 0.00 36.82 36.52 3gor h ILE 22 CO 0.00 0.18 -0.13 0.45 0.00 0.00 0.00 178.15 178.65 3gor h HIS 23 N 0.97 0.00 0.00 1.37 3.86 -1.80 -1.85 115.15 117.70 3gor h HIS 23 Ca 0.27 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.48 3gor h HIS 23 Cb -0.07 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.40 3gor h HIS 23 CO -0.00 0.13 0.00 1.63 0.86 0.00 0.00 177.93 180.55 3gor n LYS 24 N -3.56 0.49 -3.37 2.45 5.02 -0.61 -4.66 118.16 113.92 3gor n LYS 24 Ca -0.01 0.03 -0.45 0.00 -2.02 0.00 0.00 58.31 55.85 3gor n LYS 24 Cb 0.27 -1.50 -0.07 0.00 -0.02 0.00 0.00 35.03 33.71 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 -2.44 5.22 0.60 -0.18 1.01 -0.70 -5.05 121.20 119.66 3gor s ILE 25 Ca 0.29 -1.18 -0.10 0.00 0.00 0.00 0.00 60.65 59.66 3gor s ILE 25 Cb 0.18 -4.18 -0.03 0.00 0.01 0.00 0.00 42.46 38.44 3gor s ILE 25 CO 0.39 -0.66 0.98 1.51 0.00 0.00 0.00 174.94 177.17 3gor s ASP 26 N 2.86 6.14 0.50 3.58 -4.77 -1.26 -4.89 116.67 118.82 3gor s ASP 26 Ca 0.04 1.27 0.32 0.00 -3.30 0.00 0.00 52.55 50.87 3gor s ASP 26 Cb -0.26 -2.35 1.43 0.00 -1.09 0.00 0.00 42.92 40.66 3gor s ASP 26 CO 0.06 -0.86 1.79 -0.33 0.70 0.00 0.00 175.17 176.52 3gor h GLU 27 N -0.24 0.10 0.00 2.11 4.39 -1.99 0.26 114.58 119.21 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 1.20 -0.02 -0.00 0.00 -0.10 0.00 0.00 28.75 29.82 3gor h GLU 27 CO 0.62 0.07 -0.11 0.00 -1.16 0.00 0.00 179.01 178.43 3gor h ALA 28 N 1.47 1.20 -0.25 3.43 0.00 -2.02 -2.58 119.26 120.51 3gor h ALA 28 Ca 0.59 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.40 3gor h ALA 28 Cb 2.09 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 19.86 3gor h ALA 28 CO -0.10 0.13 0.00 0.72 0.00 0.00 0.00 179.25 180.00 3gor n HIS 29 N -3.51 0.33 -0.31 0.00 8.25 0.89 -4.61 115.22 116.25 3gor n HIS 29 Ca -0.01 -0.28 0.20 0.00 -0.26 0.00 0.00 57.72 57.36 3gor n HIS 29 Cb 0.25 -0.01 0.47 0.00 1.12 0.00 0.00 29.99 31.82 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 2.63 0.72 -0.61 4.41 -1.99 -1.29 -0.13 116.97 120.71 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 0.70 -0.21 0.00 0.00 2.00 0.00 0.00 36.73 39.22 3gor h TYR 30 CO 0.16 0.11 0.00 -0.40 -0.00 0.00 0.00 178.16 178.04 3gor n ASP 31 N -4.63 4.79 -4.76 3.88 5.75 -1.26 -0.45 116.55 119.86 3gor n ASP 31 Ca 0.24 -2.52 -0.39 0.00 -0.01 0.00 0.00 54.79 52.11 3gor n ASP 31 Cb 0.78 -0.58 0.01 0.00 -1.03 0.00 0.00 41.12 40.30 3gor n ASP 31 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 3gor s TYR 32 N -1.98 2.55 -0.07 2.11 5.04 -0.06 -4.70 117.35 120.24 3gor s TYR 32 Ca 0.50 1.36 -0.03 0.00 -2.44 0.00 0.00 57.07 56.46 3gor s TYR 32 Cb 0.33 -3.77 0.04 0.00 0.35 0.00 0.00 41.96 38.91 3gor s TYR 32 CO 0.23 -2.57 0.15 0.15 -1.34 0.00 0.00 175.55 172.16 3gor s LYS 33 N -2.53 0.07 0.34 4.97 1.02 -1.26 -0.97 119.74 121.38 3gor s LYS 33 Ca 0.63 0.42 0.05 0.00 0.02 0.00 0.00 55.97 57.09 3gor s LYS 33 Cb -0.40 -0.21 0.62 0.00 -0.52 0.00 0.00 37.83 37.32 3gor s LYS 33 CO 0.50 -0.21 1.88 -1.35 -0.92 0.00 0.00 175.35 175.26 3gor h PRO 34 N 7.57 0.51 -4.67 -1.68 0.11 -1.95 -3.44 132.00 128.45 3gor h PRO 34 Ca -0.35 -0.11 -0.23 0.00 0.11 0.00 0.00 66.00 65.43 3gor h PRO 34 Cb 1.13 -0.08 -0.15 0.00 0.11 0.00 0.00 31.00 32.02 3gor h PRO 34 CO 0.34 0.53 -0.69 0.95 -0.21 0.00 0.00 178.00 178.93 3gor s THR 35 N -4.98 0.66 0.44 -1.15 -4.23 -1.26 -5.04 115.64 100.08 3gor s THR 35 Ca -0.07 -1.94 0.31 0.00 -1.18 0.00 0.00 61.69 58.80 3gor s THR 35 Cb 0.16 -1.78 0.33 0.00 1.34 0.00 0.00 72.50 72.55 3gor s THR 35 CO 0.76 -0.78 2.13 -0.65 -0.54 0.00 0.00 174.62 175.54 3gor h PRO 36 N 2.91 0.00 -0.53 3.99 0.11 -2.04 -2.43 132.00 134.01 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 1.17 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.28 3gor h PRO 36 CO 0.64 0.08 0.00 0.25 -0.21 0.00 0.00 178.00 178.76 3gor n THR 37 N -3.53 0.89 0.00 -1.15 -2.24 -1.26 -5.13 114.28 101.87 3gor n THR 37 Ca -0.02 -0.95 0.00 0.00 -2.27 0.00 0.00 64.05 60.81 3gor n THR 37 Cb 0.20 0.59 0.00 0.00 -2.10 0.00 0.00 70.33 69.03 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 1.22 0.00 -4.77 3.42 7.64 -0.92 -5.16 113.62 115.05 3gor n SER 38 Ca 0.19 0.00 -0.22 0.00 1.01 0.00 0.00 58.87 59.85 3gor n SER 38 Cb 0.54 0.00 -0.05 0.00 -1.01 0.00 0.00 64.21 63.69 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 1.69 4.17 0.24 0.44 -4.23 -1.26 -4.89 115.64 111.80 3gor s THR 40 Ca 0.00 -1.53 -0.05 0.00 -1.18 0.00 0.00 61.69 58.93 3gor s THR 40 Cb 0.00 -3.24 0.20 0.00 1.34 0.00 0.00 72.50 70.80 3gor s THR 40 CO 0.00 -0.35 1.78 0.00 -0.54 0.00 0.00 174.62 175.52 3gor h ALA 41 N 1.64 1.11 -0.66 3.99 0.00 -0.98 0.41 119.26 124.78 3gor h ALA 41 Ca -0.47 0.06 -0.07 0.00 0.00 0.00 0.00 54.91 54.42 3gor h ALA 41 Cb 1.24 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 18.95 3gor h ALA 41 CO 0.61 -0.02 0.13 -0.22 0.00 0.00 0.00 179.25 179.74 3gor h LYS 42 N 0.66 1.06 -0.46 0.00 3.64 -1.04 -1.45 116.57 118.98 3gor h LYS 42 Ca 0.39 -0.26 -0.05 0.00 -1.27 0.00 0.00 60.65 59.46 3gor h LYS 42 Cb 0.45 -0.13 -0.02 0.00 -0.41 0.00 0.00 32.23 32.11 3gor h LYS 42 CO -0.29 0.96 0.10 1.96 -2.27 0.00 0.00 179.45 179.91 3gor h GLN 43 N 1.00 0.73 0.01 1.90 4.20 -1.54 -1.43 115.11 119.99 3gor h GLN 43 Ca 0.20 -0.18 -0.00 0.00 0.06 0.00 0.00 58.65 58.73 3gor h GLN 43 Cb 0.40 -0.09 0.00 0.00 0.30 0.00 0.00 27.48 28.09 3gor h GLN 43 CO 0.01 0.73 -0.01 1.25 -0.67 0.00 0.00 178.83 180.15 3gor h LEU 44 N 0.61 -0.01 -0.89 1.46 5.85 -0.73 -0.18 115.31 121.41 3gor h LEU 44 Ca 0.14 -0.13 -0.04 0.00 0.84 0.00 0.00 57.88 58.69 3gor h LEU 44 Cb 0.33 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 41.34 3gor h LEU 44 CO 0.00 0.12 0.28 0.00 -0.34 0.00 0.00 178.44 178.50 3gor h ALA 45 N 0.84 1.12 -0.30 1.25 0.00 -1.26 -2.68 119.26 118.22 3gor h ALA 45 Ca -0.00 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.64 3gor h ALA 45 Cb 0.14 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.64 3gor h ALA 45 CO 0.00 0.63 -0.10 1.15 0.00 0.00 0.00 179.25 180.92 3gor h THR 46 N 1.06 1.29 0.00 0.00 2.02 -1.10 -2.51 112.91 113.66 3gor h THR 46 Ca 0.24 -1.17 0.00 0.00 0.77 0.00 0.00 66.41 66.25 3gor h THR 46 Cb 0.22 1.41 0.00 0.00 -1.74 0.00 0.00 68.15 68.04 3gor h THR 46 CO -0.02 0.38 0.00 1.57 0.37 0.00 0.00 175.52 177.82 3gor n HIS 47 N -4.44 0.00 0.00 3.16 -0.00 -0.09 -1.05 115.22 112.80 3gor n HIS 47 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.69 3gor n HIS 47 Cb 0.35 -0.05 0.00 0.00 -0.00 0.00 0.00 29.99 30.29 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 0.75 0.00 -0.06 0.27 4.77 -0.95 -0.84 117.00 120.95 3gor n LEU 49 Ca 0.00 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 55.85 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 0.64 -0.26 -1.33 0.00 0.00 177.39 176.44 3gor h PHE 50 N 0.00 0.43 -0.47 -1.77 0.04 -1.37 -2.50 116.94 111.30 3gor h PHE 50 Ca 0.00 -0.11 0.04 0.00 2.80 0.00 0.00 57.97 60.70 3gor h PHE 50 Cb 0.00 -0.10 -0.04 0.00 2.20 0.00 0.00 35.95 38.01 3gor h PHE 50 CO 0.00 0.70 0.23 0.66 -0.60 0.00 0.00 178.31 179.30 3gor h SER 51 N 0.03 0.32 -0.52 2.17 4.64 -1.21 -1.00 113.55 117.98 3gor h SER 51 Ca 0.03 0.03 -0.03 0.00 -0.47 0.00 0.00 61.79 61.35 3gor h SER 51 Cb 0.60 -0.03 -0.02 0.00 -0.31 0.00 0.00 62.40 62.64 3gor h SER 51 CO 0.03 0.23 0.20 0.15 -0.87 0.00 0.00 176.83 176.56 3gor h PHE 52 N 0.45 0.81 -0.93 4.77 3.04 -1.77 -1.36 116.94 121.95 3gor h PHE 52 Ca 0.21 -0.07 0.15 0.00 3.98 0.00 0.00 57.97 62.24 3gor h PHE 52 Cb 0.13 -0.24 -0.09 0.00 2.56 0.00 0.00 35.95 38.31 3gor h PHE 52 CO -0.11 0.67 0.54 -0.92 -2.02 0.00 0.00 178.31 176.47 3gor h TYR 53 N 0.71 0.96 -0.47 0.41 3.20 -0.95 -0.55 116.97 120.27 3gor h TYR 53 Ca 0.17 0.03 -0.09 0.00 3.14 0.00 0.00 58.73 61.99 3gor h TYR 53 Cb 0.22 -0.29 -0.02 0.00 1.54 0.00 0.00 36.73 38.19 3gor h TYR 53 CO 0.01 0.28 -0.05 -0.91 -1.64 0.00 0.00 178.16 175.84 3gor h ASN 54 N 0.77 0.87 -0.04 -2.11 2.35 -0.16 0.15 115.58 117.41 3gor h ASN 54 Ca 0.50 -0.33 0.02 0.00 -0.55 0.00 0.00 56.30 55.94 3gor h ASN 54 Cb 0.66 -0.23 -0.03 0.00 0.05 0.00 0.00 38.32 38.77 3gor h ASN 54 CO -0.34 0.99 -0.10 -0.26 -1.65 0.00 0.00 177.43 176.08 3gor h PHE 55 N 0.72 -0.25 -0.23 1.19 0.04 -0.55 -0.31 116.94 117.54 3gor h PHE 55 Ca 0.13 0.01 -0.01 0.00 2.80 0.00 0.00 57.97 60.89 3gor h PHE 55 Cb 0.58 0.12 -0.01 0.00 2.20 0.00 0.00 35.95 38.84 3gor h PHE 55 CO 0.04 -0.15 0.08 0.00 -0.60 0.00 0.00 178.31 177.68 3gor h ALA 56 N 0.85 0.30 -0.41 2.45 0.00 -0.98 0.11 119.26 121.59 3gor h ALA 56 Ca 0.05 -0.12 0.08 0.00 0.00 0.00 0.00 54.91 54.92 3gor h ALA 56 Cb 0.22 -0.09 -0.07 0.00 0.00 0.00 0.00 17.79 17.85 3gor h ALA 56 CO -0.13 -0.10 -0.05 -0.97 0.00 0.00 0.00 179.25 178.00 3gor h ASN 57 N 0.21 -0.28 -0.54 0.00 -1.24 -0.58 0.26 115.58 113.41 3gor h ASN 57 Ca 0.08 0.11 -0.06 0.00 0.71 0.00 0.00 56.30 57.13 3gor h ASN 57 Cb 0.20 0.21 -0.02 0.00 0.73 0.00 0.00 38.32 39.44 3gor h ASN 57 CO -0.00 -0.09 0.09 0.74 -1.29 0.00 0.00 177.43 176.87 3gor h THR 58 N 0.05 1.25 -0.13 -3.57 2.02 -0.79 -2.47 112.91 109.27 3gor h THR 58 Ca 0.20 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.42 3gor h THR 58 Cb 0.30 0.82 -0.01 0.00 -1.74 0.00 0.00 68.15 67.52 3gor h THR 58 CO -0.38 0.34 0.04 0.00 0.37 0.00 0.00 175.52 175.89 3gor h ALA 59 N 0.99 0.17 -0.44 6.16 0.00 -0.04 0.12 119.26 126.22 3gor h ALA 59 Ca 0.16 -0.13 0.05 0.00 0.00 0.00 0.00 54.91 55.00 3gor h ALA 59 Cb 0.40 -0.05 -0.04 0.00 0.00 0.00 0.00 17.79 18.10 3gor h ALA 59 CO 0.01 -0.21 0.18 -0.22 0.00 0.00 0.00 179.25 179.01 3gor h LYS 60 N 0.02 0.36 -0.50 0.00 3.11 -0.43 -2.59 116.57 116.54 3gor h LYS 60 Ca 0.04 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 3gor h LYS 60 Cb 0.23 -0.08 0.00 0.00 -1.00 0.00 0.00 32.23 31.38 3gor h LYS 60 CO -0.00 0.24 0.00 0.72 -2.81 0.00 0.00 179.45 177.60 3gor n HIS 61 N -4.97 0.66 -2.24 1.91 8.25 -0.94 -4.93 115.22 112.97 3gor n HIS 61 Ca 0.03 -0.33 -0.08 0.00 -0.26 0.00 0.00 57.72 57.08 3gor n HIS 61 Cb 0.15 0.00 -0.01 0.00 1.12 0.00 0.00 29.99 31.25 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 1.42 -0.26 3.07 -1.41 0.00 -0.03 -4.91 105.19 103.08 3gor n GLY 62 Ca 0.19 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.89 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 -1.96 4.82 0.61 1.61 -1.08 -0.85 -4.96 116.67 114.86 3gor s ASP 63 Ca 0.00 -1.86 0.34 0.00 -0.52 0.00 0.00 52.55 50.51 3gor s ASP 63 Cb 0.00 -1.66 2.02 0.00 -1.46 0.00 0.00 42.92 41.81 3gor s ASP 63 CO 0.00 -0.36 2.30 -0.65 0.52 0.00 0.00 175.17 176.98 3gor h PRO 64 N 7.78 0.00 -0.24 4.34 0.11 -1.88 -2.53 132.00 139.59 3gor h PRO 64 Ca -0.11 0.00 -0.10 0.00 0.11 0.00 0.00 66.00 65.90 3gor h PRO 64 Cb 1.04 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.13 3gor h PRO 64 CO 0.55 0.00 -0.27 0.66 -0.21 0.00 0.00 178.00 178.73 3gor h SER 65 N 0.00 0.46 -0.24 -2.05 4.64 -1.94 -2.56 113.55 111.86 3gor h SER 65 Ca 0.00 -0.16 0.07 0.00 -0.47 0.00 0.00 61.79 61.23 3gor h SER 65 Cb 0.00 -0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 61.95 3gor h SER 65 CO -0.00 0.72 0.25 -0.07 -0.87 0.00 0.00 176.83 176.86 3gor h LEU 66 N 0.41 0.00 -0.65 5.97 3.38 -1.85 -3.30 115.31 119.26 3gor h LEU 66 Ca 0.06 0.00 0.05 0.00 0.09 0.00 0.00 57.88 58.07 3gor h LEU 66 Cb 0.68 0.00 -0.05 0.00 0.09 0.00 0.00 40.66 41.38 3gor h LEU 66 CO 0.05 0.00 0.38 0.15 0.09 0.00 0.00 178.44 179.11 3gor h PHE 67 N 0.00 0.69 -0.43 1.13 3.57 -1.62 -2.29 116.94 117.99 3gor h PHE 67 Ca 0.12 0.02 0.00 0.00 3.53 0.00 0.00 57.97 61.64 3gor h PHE 67 Cb 0.61 -0.22 0.00 0.00 2.79 0.00 0.00 35.95 39.13 3gor h PHE 67 CO 0.00 0.36 0.00 0.54 -2.23 0.00 0.00 178.31 176.98 3gor n ARG 68 N -4.76 3.96 -1.69 1.11 1.74 -1.24 -4.82 116.66 110.96 3gor n ARG 68 Ca 0.07 -3.01 -0.42 0.00 -0.77 0.00 0.00 57.85 53.73 3gor n ARG 68 Cb 0.14 -2.06 -0.03 0.00 -1.02 0.00 0.00 32.46 29.49 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 -2.75 4.14 0.12 5.56 0.74 -0.86 -4.92 119.66 121.68 3gor s GLN 69 Ca 0.49 2.60 -0.31 0.00 0.05 0.00 0.00 55.36 58.19 3gor s GLN 69 Cb 0.38 -4.05 -0.08 0.00 1.10 0.00 0.00 33.01 30.35 3gor s GLN 69 CO 0.13 -0.93 1.44 0.21 -0.55 0.00 0.00 175.29 175.59 3gor s LYS 70 N 4.13 4.29 -0.25 1.67 2.20 -1.26 -4.99 119.74 125.53 3gor s LYS 70 Ca 0.87 2.15 -0.16 0.00 -0.36 0.00 0.00 55.97 58.46 3gor s LYS 70 Cb -0.43 -3.26 -0.03 0.00 -1.51 0.00 0.00 37.83 32.60 3gor s LYS 70 CO 0.40 -0.50 0.44 0.42 -0.36 0.00 0.00 175.35 175.75 3gor s ILE 71 N 1.26 5.14 -0.28 5.43 1.01 -1.26 -5.05 121.20 127.45 3gor s ILE 71 Ca 0.66 0.73 -0.06 0.00 0.00 0.00 0.00 60.65 61.99 3gor s ILE 71 Cb -0.38 -3.76 0.01 0.00 0.01 0.00 0.00 42.46 38.34 3gor s ILE 71 CO 0.30 0.15 0.05 -0.70 0.00 0.00 0.00 174.94 174.74 3gor s GLU 72 N 1.96 3.13 -0.04 2.79 2.12 -1.26 -5.08 118.70 122.32 3gor s GLU 72 Ca 0.19 -0.82 -0.00 0.00 0.36 0.00 0.00 54.97 54.69 3gor s GLU 72 Cb -0.15 -3.27 0.03 0.00 0.26 0.00 0.00 34.13 30.99 3gor s GLU 72 CO 0.09 -0.39 0.01 -2.00 -0.54 0.00 0.00 175.26 172.43 3gor s GLU 73 N 1.48 0.36 0.02 4.30 2.56 -1.26 -5.03 118.70 121.14 3gor s GLU 73 Ca 0.03 0.12 0.29 0.00 0.00 0.00 0.00 54.97 55.41 3gor s GLU 73 Cb -0.17 -0.65 1.18 0.00 2.00 0.00 0.00 34.13 36.49 3gor s GLU 73 CO 0.01 -0.21 1.90 -2.30 -0.56 0.00 0.00 175.26 174.10 3gor n PRO 74 N 4.61 0.03 -0.25 4.30 -0.02 -1.26 -4.62 135.00 137.79 3gor n PRO 74 Ca -0.17 0.02 0.03 0.00 -2.02 0.00 0.00 63.50 61.36 3gor n PRO 74 Cb 0.50 -1.53 0.11 0.00 -0.02 0.00 0.00 33.50 32.57 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 0.00 0.04 0.00 -0.52 4.57 -2.02 -3.45 114.58 113.20 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 0.52 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 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 -5.41 0.00 -2.20 0.32 -1.04 -1.26 -4.88 114.28 99.80 3gor n THR 76 Ca 0.11 0.00 -0.43 0.00 -2.04 0.00 0.00 64.05 61.69 3gor n THR 76 Cb 0.41 0.00 -0.02 0.00 -1.82 0.00 0.00 70.33 68.90 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 6.14 0.15 8.00 3.84 -1.26 -4.92 114.94 126.88 3gor s ASN 77 Ca 0.00 1.02 -0.27 0.00 0.21 0.00 0.00 52.86 53.82 3gor s ASN 77 Cb 0.00 -2.53 -0.01 0.00 -0.55 0.00 0.00 41.25 38.15 3gor s ASN 77 CO 0.00 -1.56 1.58 -0.07 -2.79 0.00 0.00 177.10 174.26 3gor h LEU 78 N 12.87 -1.30 -0.74 3.21 3.38 -1.96 -1.41 115.31 129.35 3gor h LEU 78 Ca -0.30 0.19 0.10 0.00 0.09 0.00 0.00 57.88 57.97 3gor h LEU 78 Cb 1.13 0.56 -0.08 0.00 0.09 0.00 0.00 40.66 42.37 3gor h LEU 78 CO 1.07 -0.38 0.36 0.00 0.09 0.00 0.00 178.44 179.58 3gor h ALA 79 N 0.37 1.03 -0.21 1.53 0.00 -1.91 0.50 119.26 120.58 3gor h ALA 79 Ca 0.12 0.06 -0.06 0.00 0.00 0.00 0.00 54.91 55.03 3gor h ALA 79 Cb 0.59 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 3gor h ALA 79 CO -0.49 -0.06 -0.12 -0.22 0.00 0.00 0.00 179.25 178.36 3gor h LYS 80 N 0.60 0.45 -0.69 0.00 3.64 -1.88 -1.79 116.57 116.90 3gor h LYS 80 Ca 0.37 -0.20 0.12 0.00 -1.27 0.00 0.00 60.65 59.67 3gor h LYS 80 Cb 0.43 -0.01 -0.09 0.00 -0.41 0.00 0.00 32.23 32.15 3gor h LYS 80 CO -0.29 0.75 0.25 1.25 -2.27 0.00 0.00 179.45 179.13 3gor h LEU 81 N 0.15 0.21 0.10 5.20 5.85 -0.15 -0.79 115.31 125.88 3gor h LEU 81 Ca 0.05 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gor h LEU 81 Cb 0.62 0.09 -0.01 0.00 0.37 0.00 0.00 40.66 41.74 3gor h LEU 81 CO 0.03 0.09 -0.08 0.00 -0.34 0.00 0.00 178.44 178.15 3gor h ALA 82 N 1.51 -0.17 -0.53 1.25 0.00 0.38 -1.50 119.26 120.20 3gor h ALA 82 Ca 0.37 -0.03 -0.07 0.00 0.00 0.00 0.00 54.91 55.18 3gor h ALA 82 Cb 0.54 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 3gor h ALA 82 CO -0.38 -0.61 0.03 0.93 0.00 0.00 0.00 179.25 179.22 3gor h GLU 83 N -0.19 0.87 0.46 0.00 5.08 -0.93 -0.33 114.58 119.54 3gor h GLU 83 Ca -0.00 -0.23 -0.02 0.00 -1.00 0.00 0.00 59.36 58.10 3gor h GLU 83 Cb 0.18 -0.10 0.00 0.00 0.50 0.00 0.00 28.75 29.33 3gor h GLU 83 CO -0.01 0.85 -0.22 1.15 -1.00 0.00 0.00 179.01 179.78 3gor h THR 84 N 0.82 0.55 0.00 1.13 2.02 -0.90 -2.38 112.91 114.15 3gor h THR 84 Ca 0.16 -0.06 -0.06 0.00 0.77 0.00 0.00 66.41 67.23 3gor h THR 84 Cb 0.44 0.57 -0.01 0.00 -1.74 0.00 0.00 68.15 67.42 3gor h THR 84 CO 0.02 0.01 -0.27 1.88 0.37 0.00 0.00 175.52 177.53 3gor h TYR 85 N -0.65 0.00 -0.48 3.16 0.05 -1.17 -1.81 116.97 116.07 3gor h TYR 85 Ca -0.06 0.00 -0.12 0.00 0.05 0.00 0.00 58.73 58.60 3gor h TYR 85 Cb 0.49 0.00 -0.02 0.00 1.01 0.00 0.00 36.73 38.22 3gor h TYR 85 CO -0.04 0.27 -0.17 1.15 -1.05 0.00 0.00 178.16 178.32 3gor h THR 86 N 0.00 1.27 -0.28 -2.88 2.02 -1.01 -0.69 112.91 111.35 3gor h THR 86 Ca -0.00 -1.32 -0.14 0.00 0.77 0.00 0.00 66.41 65.72 3gor h THR 86 Cb 0.94 1.08 -0.00 0.00 -1.74 0.00 0.00 68.15 68.43 3gor h THR 86 CO 0.04 0.45 -0.37 -0.08 0.37 0.00 0.00 175.52 175.93 3gor h GLU 87 N 0.82 0.74 -0.26 6.66 4.57 -1.12 -0.48 114.58 125.51 3gor h GLU 87 Ca 0.12 -0.42 -0.00 0.00 -1.18 0.00 0.00 59.36 57.87 3gor h GLU 87 Cb 0.72 0.03 -0.01 0.00 -0.16 0.00 0.00 28.75 29.33 3gor h GLU 87 CO 0.06 1.05 0.15 0.87 -1.18 0.00 0.00 179.01 179.95 3gor h LYS 88 N 0.48 0.35 -0.44 1.92 1.57 -1.28 -1.38 116.57 117.79 3gor h LYS 88 Ca 0.03 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3gor h LYS 88 Cb 0.96 -0.07 -0.02 0.00 0.08 0.00 0.00 32.23 33.17 3gor h LYS 88 CO 0.09 0.30 0.29 1.15 -0.57 0.00 0.00 179.45 180.70 3gor h THR 89 N 0.31 1.11 -0.58 -0.16 2.02 -1.07 -2.00 112.91 112.54 3gor h THR 89 Ca 0.09 -0.21 0.03 0.00 0.77 0.00 0.00 66.41 67.09 3gor h THR 89 Cb 0.04 0.47 -0.04 0.00 -1.74 0.00 0.00 68.15 66.88 3gor h THR 89 CO -0.02 0.11 0.34 -0.09 0.37 0.00 0.00 175.52 176.24 3gor h ARG 90 N 0.59 0.65 -0.53 6.66 2.43 -0.87 -2.59 114.38 120.72 3gor h ARG 90 Ca 0.16 -0.04 -0.10 0.00 -0.81 0.00 0.00 59.98 59.19 3gor h ARG 90 Cb -0.07 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.32 3gor h ARG 90 CO -0.03 0.43 -0.05 1.96 -1.51 0.00 0.00 179.97 180.77 3gor h GLN 91 N 0.67 0.97 -0.10 0.20 4.20 -1.03 -1.04 115.11 118.98 3gor h GLN 91 Ca 0.24 -0.33 0.03 0.00 0.06 0.00 0.00 58.65 58.65 3gor h GLN 91 Cb 0.06 -0.07 -0.03 0.00 0.30 0.00 0.00 27.48 27.73 3gor h GLN 91 CO -0.12 1.00 -0.08 -0.07 -0.67 0.00 0.00 178.83 178.89 3gor h LEU 92 N 0.84 -0.26 -0.54 1.46 3.38 -1.16 -2.25 115.31 116.77 3gor h LEU 92 Ca 0.14 0.06 -0.08 0.00 0.09 0.00 0.00 57.88 58.09 3gor h LEU 92 Cb 0.60 0.13 -0.02 0.00 0.09 0.00 0.00 40.66 41.46 3gor h LEU 92 CO 0.04 -0.12 0.03 0.40 0.09 0.00 0.00 178.44 178.88 3gor h ILE 93 N -0.10 1.26 0.00 1.22 2.04 -1.36 -2.80 117.51 117.77 3gor h ILE 93 Ca 0.07 -1.05 -0.01 0.00 1.00 0.00 0.00 64.86 64.86 3gor h ILE 93 Cb 0.20 0.88 -0.00 0.00 -0.74 0.00 0.00 36.82 37.16 3gor h ILE 93 CO -0.16 0.38 -0.06 -0.08 0.00 0.00 0.00 178.15 178.22 3gor h GLU 94 N 0.81 0.00 -3.74 2.37 4.81 -0.99 -3.44 114.58 114.39 3gor h GLU 94 Ca 0.16 0.00 -0.75 0.00 -0.13 0.00 0.00 59.36 58.63 3gor h GLU 94 Cb 0.49 0.00 -0.16 0.00 0.63 0.00 0.00 28.75 29.71 3gor h GLU 94 CO 0.02 0.06 1.86 -1.13 -0.73 0.00 0.00 179.01 179.10 3gor n SER 95 N -3.44 5.15 -4.35 1.04 3.41 -0.87 -4.88 113.62 109.69 3gor n SER 95 Ca -0.02 -3.09 -0.20 0.00 -0.26 0.00 0.00 58.87 55.30 3gor n SER 95 Cb 0.20 -1.49 -0.10 0.00 -0.26 0.00 0.00 64.21 62.56 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 1.19 2.01 0.36 4.04 1.04 -1.26 -5.09 113.70 115.99 3gor s SER 97 Ca 0.40 -1.43 0.19 0.00 0.48 0.00 0.00 55.95 55.60 3gor s SER 97 Cb 0.07 0.09 0.49 0.00 0.10 0.00 0.00 66.02 66.77 3gor s SER 97 CO 0.01 -0.70 1.64 0.44 0.98 0.00 0.00 173.24 175.60 3gor h ASP 98 N 2.16 0.00 0.78 7.02 5.19 -1.96 -2.97 116.42 126.64 3gor h ASP 98 Ca -0.39 0.00 -0.14 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 0.64 0.35 -0.69 0.44 -3.12 0.00 0.00 179.24 176.87 3gor h ASP 99 N 0.00 0.00 -0.80 6.45 5.19 -2.04 -3.13 116.42 122.10 3gor h ASP 99 Ca -0.00 0.00 0.10 0.00 -0.62 0.00 0.00 57.03 56.51 3gor h ASP 99 Cb 1.05 0.00 -0.06 0.00 0.18 0.00 0.00 39.33 40.51 3gor h ASP 99 CO 0.05 0.69 0.52 0.44 -3.12 0.00 0.00 179.24 177.81 3gor h ASP 100 N 0.00 0.64 0.46 6.45 3.32 -1.94 0.86 116.42 126.21 3gor h ASP 100 Ca -0.01 0.02 0.00 0.00 0.02 0.00 0.00 57.03 57.06 3gor h ASP 100 Cb 1.26 -0.11 0.00 0.00 0.22 0.00 0.00 39.33 40.69 3gor h ASP 100 CO 0.09 0.38 0.00 0.49 -1.72 0.00 0.00 179.24 178.48 3gor n PHE 101 N -4.51 0.00 0.65 4.55 3.01 -1.18 -2.05 117.46 117.93 3gor n PHE 101 Ca 0.14 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.68 3gor n PHE 101 Cb 0.35 -0.50 -0.11 0.00 -0.01 0.00 0.00 39.48 39.21 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 -1.50 0.83 -4.73 4.37 8.00 0.27 -2.54 116.55 121.25 3gor n ASP 102 Ca 0.03 -0.72 -0.41 0.00 0.71 0.00 0.00 54.79 54.40 3gor n ASP 102 Cb 0.16 1.18 0.01 0.00 -0.02 0.00 0.00 41.12 42.44 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 -1.57 2.24 -3.28 -1.24 0.63 -0.87 -4.65 116.66 107.92 3gor n ARG 103 Ca 0.02 0.79 -0.38 0.00 -0.92 0.00 0.00 57.85 57.36 3gor n ARG 103 Cb 0.32 -2.50 -0.06 0.00 0.45 0.00 0.00 32.46 30.67 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 -1.15 5.04 -0.19 5.15 2.01 -1.26 -0.72 115.64 124.52 3gor s THR 104 Ca 0.58 1.09 -0.06 0.00 0.31 0.00 0.00 61.69 63.61 3gor s THR 104 Cb -0.50 -3.86 -0.03 0.00 0.01 0.00 0.00 72.50 68.12 3gor s THR 104 CO 0.60 0.40 0.01 -0.76 -0.69 0.00 0.00 174.62 174.18 3gor s LEU 105 N 0.06 3.43 -0.78 4.42 1.43 -1.26 -4.94 118.68 121.04 3gor s LEU 105 Ca 0.28 -0.10 -0.22 0.00 -1.03 0.00 0.00 54.13 53.06 3gor s LEU 105 Cb -0.17 -1.86 0.08 0.00 0.03 0.00 0.00 46.19 44.27 3gor s LEU 105 CO 0.14 0.12 1.10 -0.62 0.23 0.00 0.00 176.35 177.32 3gor s ASP 106 N 0.69 6.32 -0.16 2.29 -1.08 -1.26 -4.42 116.67 119.05 3gor s ASP 106 Ca 0.01 -1.23 0.17 0.00 -0.52 0.00 0.00 52.55 50.98 3gor s ASP 106 Cb -0.14 -2.45 0.37 0.00 -1.46 0.00 0.00 42.92 39.25 3gor s ASP 106 CO 0.02 -1.41 1.24 0.18 0.52 0.00 0.00 175.17 175.72 3gor n LEU 107 N 7.78 2.87 -0.31 -1.34 4.77 -1.02 -4.71 117.00 125.04 3gor n LEU 107 Ca 0.08 -3.18 0.00 0.00 -0.03 0.00 0.00 56.01 52.88 3gor n LEU 107 Cb 0.47 -0.48 0.13 0.00 -2.33 0.00 0.00 43.42 41.22 3gor n LEU 107 CO 0.62 0.79 1.20 0.74 -1.33 0.00 0.00 177.39 179.41 3gor h THR 108 N 0.60 1.07 0.00 -5.08 2.02 -1.81 0.42 112.91 110.13 3gor h THR 108 Ca 0.01 -0.35 0.00 0.00 0.77 0.00 0.00 66.41 66.85 3gor h THR 108 Cb 1.15 -0.02 0.00 0.00 -1.74 0.00 0.00 68.15 67.54 3gor h THR 108 CO 0.08 0.18 0.08 0.00 0.37 0.00 0.00 175.52 176.23 3gor h ALA 109 N 1.39 1.08 0.00 6.16 0.00 -1.90 0.23 119.26 126.22 3gor h ALA 109 Ca 0.37 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.26 3gor h ALA 109 Cb 0.12 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 3gor h ALA 109 CO -0.16 -0.08 -0.54 -0.89 0.00 0.00 0.00 179.25 177.59 3gor n ILE 110 N -2.91 0.75 0.37 0.00 5.41 0.03 -4.74 119.36 118.26 3gor n ILE 110 Ca -0.03 0.20 0.10 0.00 1.00 0.00 0.00 62.75 64.03 3gor n ILE 110 Cb 0.14 -1.59 0.16 0.00 -0.71 0.00 0.00 39.64 37.64 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 -3.36 0.34 -3.61 1.39 3.72 0.13 -4.97 117.46 111.10 3gor n PHE 111 Ca -0.02 -0.20 -0.23 0.00 -0.05 0.00 0.00 57.45 56.95 3gor n PHE 111 Cb 0.26 -0.00 0.07 0.00 -0.94 0.00 0.00 39.48 38.86 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 1.21 -0.47 3.63 1.37 0.00 0.81 -4.91 105.19 106.83 3gor n GLY 112 Ca 0.15 0.19 -0.03 0.00 0.00 0.00 0.00 46.02 46.34 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 -3.36 0.00 0.50 2.61 -1.32 -1.22 -4.80 115.64 108.06 3gor s THR 113 Ca 0.39 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.89 3gor s THR 113 Cb -0.18 -1.00 0.02 0.00 -1.51 0.00 0.00 72.50 69.84 3gor s THR 113 CO 0.75 0.00 0.71 -1.10 -2.21 0.00 0.00 174.62 172.77 3gor s GLN 114 N -1.39 2.68 0.16 7.08 -0.21 -1.26 -2.42 119.66 124.29 3gor s GLN 114 Ca 0.08 -0.86 -0.01 0.00 0.02 0.00 0.00 55.36 54.59 3gor s GLN 114 Cb -0.01 -2.56 -0.04 0.00 1.00 0.00 0.00 33.01 31.39 3gor s GLN 114 CO -0.06 -0.55 0.35 -1.54 -2.12 0.00 0.00 175.29 171.38 3gor s SER 116 N -4.38 6.40 0.50 5.90 1.04 -1.26 -4.94 113.70 116.95 3gor s SER 116 Ca 0.55 0.40 0.17 0.00 0.48 0.00 0.00 55.95 57.56 3gor s SER 116 Cb -0.10 -2.01 1.22 0.00 0.10 0.00 0.00 66.02 65.23 3gor s SER 116 CO 0.37 0.02 2.06 0.74 0.98 0.00 0.00 173.24 177.41 3gor h THR 117 N 1.75 0.91 -0.19 2.02 2.02 -1.04 -1.30 112.91 117.08 3gor h THR 117 Ca -0.47 -0.05 -0.19 0.00 0.77 0.00 0.00 66.41 66.47 3gor h THR 117 Cb 1.18 0.76 0.01 0.00 -1.74 0.00 0.00 68.15 68.36 3gor h THR 117 CO 0.70 0.02 -0.62 0.00 0.37 0.00 0.00 175.52 176.00 3gor h ALA 118 N 1.83 0.34 -0.60 6.16 0.00 -1.78 -0.20 119.26 125.01 3gor h ALA 118 Ca 0.15 -0.54 -0.05 0.00 0.00 0.00 0.00 54.91 54.46 3gor h ALA 118 Cb 0.40 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.13 3gor h ALA 118 CO -0.02 0.60 0.16 1.96 0.00 0.00 0.00 179.25 181.95 3gor h GLN 119 N 0.49 0.93 -0.31 0.00 4.20 -1.73 -0.43 115.11 118.25 3gor h GLN 119 Ca -0.02 -0.19 -0.01 0.00 0.06 0.00 0.00 58.65 58.48 3gor h GLN 119 Cb 1.24 -0.14 -0.01 0.00 0.30 0.00 0.00 27.48 28.87 3gor h GLN 119 CO 0.13 0.81 0.14 0.35 -0.67 0.00 0.00 178.83 179.59 3gor h PHE 120 N 0.89 0.46 -0.13 2.96 3.57 -1.09 -1.16 116.94 122.44 3gor h PHE 120 Ca 0.20 -0.03 -0.08 0.00 3.53 0.00 0.00 57.97 61.59 3gor h PHE 120 Cb 0.29 -0.14 -0.01 0.00 2.79 0.00 0.00 35.95 38.88 3gor h PHE 120 CO 0.02 0.43 -0.28 -0.07 -2.23 0.00 0.00 178.31 176.17 3gor h LEU 121 N 0.37 0.24 -0.82 0.59 3.38 -0.78 -1.75 115.31 116.54 3gor h LEU 121 Ca 0.11 -0.08 -0.09 0.00 0.09 0.00 0.00 57.88 57.91 3gor h LEU 121 Cb 0.15 -0.06 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gor h LEU 121 CO -0.01 0.52 -0.11 -0.61 0.09 0.00 0.00 178.44 178.32 3gor h GLN 122 N 0.21 0.77 -0.79 1.13 5.75 -0.74 -2.12 115.11 119.32 3gor h GLN 122 Ca 0.03 -0.25 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3gor h GLN 122 Cb 0.62 -0.06 -0.04 0.00 1.07 0.00 0.00 27.48 29.06 3gor h GLN 122 CO 0.04 0.85 0.50 1.25 -2.65 0.00 0.00 178.83 178.82 3gor h LEU 123 N 0.70 0.93 -1.23 -2.39 5.85 -0.66 0.37 115.31 118.87 3gor h LEU 123 Ca 0.12 -0.05 0.00 0.00 0.84 0.00 0.00 57.88 58.79 3gor h LEU 123 Cb 0.59 -0.23 0.00 0.00 0.37 0.00 0.00 40.66 41.38 3gor h LEU 123 CO 0.04 0.71 0.00 0.00 -0.34 0.00 0.00 178.44 178.84 3gor n ALA 124 N -2.34 1.16 0.00 1.25 0.00 -0.71 -1.15 120.51 118.73 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 0.04 -1.00 0.00 0.00 0.00 0.00 0.00 19.45 18.49 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 0.60 0.00 0.02 0.00 8.00 0.12 -1.10 116.55 124.19 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 0.01 0.00 -0.09 0.00 -0.02 0.00 0.00 41.12 41.02 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 -0.08 -0.39 1.24 2.76 -1.39 0.39 115.15 117.68 3gor h HIS 127 Ca 0.00 -0.00 0.08 0.00 -2.20 0.00 0.00 60.37 58.25 3gor h HIS 127 Cb 0.00 0.03 -0.08 0.00 1.55 0.00 0.00 27.41 28.91 3gor h HIS 127 CO 0.00 0.34 -0.11 1.49 -1.30 0.00 0.00 177.93 178.36 3gor h GLU 128 N -0.54 -0.01 -0.85 5.26 4.57 -1.38 -0.81 114.58 120.82 3gor h GLU 128 Ca -0.01 0.00 -0.03 0.00 -1.18 0.00 0.00 59.36 58.14 3gor h GLU 128 Cb 0.47 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.02 3gor h GLU 128 CO 0.02 -0.01 0.40 0.82 -1.18 0.00 0.00 179.01 179.05 3gor h ILE 129 N -0.01 1.26 0.07 2.32 2.04 -1.80 0.18 117.51 121.57 3gor h ILE 129 Ca 0.19 -0.75 0.00 0.00 1.00 0.00 0.00 64.86 65.30 3gor h ILE 129 Cb 0.30 0.19 -0.01 0.00 -0.74 0.00 0.00 36.82 36.56 3gor h ILE 129 CO -0.41 0.32 -0.08 -0.74 0.00 0.00 0.00 178.15 177.25 3gor h HIS 130 N 1.21 -0.19 -0.11 1.37 2.76 -0.45 -1.92 115.15 117.82 3gor h HIS 130 Ca 0.29 0.00 -0.13 0.00 -2.20 0.00 0.00 60.37 58.33 3gor h HIS 130 Cb 0.14 0.08 -0.01 0.00 1.55 0.00 0.00 27.41 29.16 3gor h HIS 130 CO 0.02 -0.12 -0.51 0.45 -1.30 0.00 0.00 177.93 176.46 3gor h HIS 131 N -0.17 0.38 -0.41 5.26 3.86 -0.88 -2.72 115.15 120.47 3gor h HIS 131 Ca 0.01 -0.13 -0.02 0.00 -1.16 0.00 0.00 60.37 59.07 3gor h HIS 131 Cb 0.17 -0.08 -0.02 0.00 1.06 0.00 0.00 27.41 28.54 3gor h HIS 131 CO -0.11 0.76 0.15 -0.22 0.86 0.00 0.00 177.93 179.37 3gor h LYS 132 N 0.24 0.59 -0.80 2.45 3.64 -0.84 0.98 116.57 122.83 3gor h LYS 132 Ca 0.01 -0.08 0.01 0.00 -1.27 0.00 0.00 60.65 59.32 3gor h LYS 132 Cb 0.99 -0.11 -0.04 0.00 -0.41 0.00 0.00 32.23 32.66 3gor h LYS 132 CO 0.08 0.50 0.52 0.78 -2.27 0.00 0.00 179.45 179.06 3gor h GLY 133 N 0.75 1.13 0.95 5.01 0.00 -1.03 -1.46 103.07 108.42 3gor h GLY 133 Ca 0.14 -0.41 -0.09 0.00 0.00 0.00 0.00 47.33 46.97 3gor h GLY 133 CO -0.01 0.39 -0.13 1.46 0.00 0.00 0.00 176.54 178.25 3gor h GLN 134 N 1.06 0.69 -0.95 4.80 4.20 -1.17 -2.95 115.11 120.79 3gor h GLN 134 Ca 0.30 -0.29 0.12 0.00 0.06 0.00 0.00 58.65 58.84 3gor h GLN 134 Cb -0.10 -0.03 -0.08 0.00 0.30 0.00 0.00 27.48 27.58 3gor h GLN 134 CO -0.07 0.88 0.61 1.25 -0.67 0.00 0.00 178.83 180.83 3gor h LEU 135 N 0.47 0.84 -0.71 1.46 5.85 -0.46 0.10 115.31 122.87 3gor h LEU 135 Ca 0.08 0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3gor h LEU 135 Cb 0.66 -0.13 -0.06 0.00 0.37 0.00 0.00 40.66 41.50 3gor h LEU 135 CO 0.04 0.45 0.39 -0.26 -0.34 0.00 0.00 178.44 178.73 3gor h PHE 136 N 0.90 0.72 -0.50 1.25 -1.00 -1.10 -0.32 116.94 116.89 3gor h PHE 136 Ca 0.47 0.03 -0.05 0.00 2.81 0.00 0.00 57.97 61.22 3gor h PHE 136 Cb 0.53 -0.22 -0.02 0.00 3.61 0.00 0.00 35.95 39.85 3gor h PHE 136 CO -0.00 0.32 0.09 0.28 -1.61 0.00 0.00 178.31 177.40 3gor h VAL 137 N 0.70 1.25 0.34 -0.55 2.07 -0.81 -2.33 116.25 116.93 3gor h VAL 137 Ca 0.33 -0.90 -0.00 0.00 0.82 0.00 0.00 66.70 66.95 3gor h VAL 137 Cb 0.24 0.88 -0.03 0.00 -1.52 0.00 0.00 31.29 30.86 3gor h VAL 137 CO -0.21 0.32 -0.44 1.88 0.02 0.00 0.00 177.57 179.15 3gor h TYR 138 N 0.69 -1.20 -0.77 1.57 -1.99 -0.47 -1.26 116.97 113.54 3gor h TYR 138 Ca 0.15 0.02 0.06 0.00 2.00 0.00 0.00 58.73 60.96 3gor h TYR 138 Cb 0.37 0.48 -0.06 0.00 2.00 0.00 0.00 36.73 39.53 3gor h TYR 138 CO 0.03 -0.57 0.45 0.28 -0.00 0.00 0.00 178.16 178.34 3gor h VAL 139 N -0.82 1.00 -0.81 -2.88 2.07 -1.03 0.49 116.25 114.26 3gor h VAL 139 Ca -0.02 -0.28 -0.01 0.00 0.82 0.00 0.00 66.70 67.20 3gor h VAL 139 Cb 0.75 0.10 -0.04 0.00 -1.52 0.00 0.00 31.29 30.58 3gor h VAL 139 CO -0.12 0.15 0.46 0.03 0.02 0.00 0.00 177.57 178.11 3gor h ARG 140 N 0.82 1.12 -1.99 1.57 3.08 -1.26 -2.81 114.38 114.91 3gor h ARG 140 Ca 0.34 -0.12 0.00 0.00 0.07 0.00 0.00 59.98 60.27 3gor h ARG 140 Cb 0.20 -0.23 0.00 0.00 0.08 0.00 0.00 29.97 30.02 3gor h ARG 140 CO -0.18 0.81 0.00 0.41 -1.07 0.00 0.00 179.97 179.94 3gor n GLY 141 N -1.20 0.20 0.00 0.04 0.00 0.16 -3.87 105.19 100.52 3gor n GLY 141 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 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 1.40 0.37 3.72 -0.02 0.00 -1.12 -5.10 105.19 104.44 3gor n GLY 143 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 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 -0.26 3.64 -0.01 1.61 3.76 -1.07 -4.94 115.29 118.02 3gor s HIS 144 Ca 0.00 1.62 0.04 0.00 -0.15 0.00 0.00 55.06 56.57 3gor s HIS 144 Cb 0.00 -3.19 -0.06 0.00 1.11 0.00 0.00 32.58 30.44 3gor s HIS 144 CO 0.00 -0.32 0.08 2.41 -0.85 0.00 0.00 174.74 176.06 3gor n THR 145 N 3.41 0.00 -3.08 1.30 -1.04 -1.26 -4.00 114.28 109.61 3gor n THR 145 Ca 0.05 -0.09 -0.45 0.00 -2.04 0.00 0.00 64.05 61.53 3gor n THR 145 Cb 0.49 0.39 -0.02 0.00 -1.82 0.00 0.00 70.33 69.36 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 -2.45 6.73 0.01 8.00 3.84 -1.26 -5.02 116.67 126.52 3gor s ASP 146 Ca -0.01 -2.38 0.02 0.00 -0.00 0.00 0.00 52.55 50.18 3gor s ASP 146 Cb 0.02 -2.33 -0.04 0.00 -1.38 0.00 0.00 42.92 39.20 3gor s ASP 146 CO 0.15 -0.85 -0.01 -0.76 -0.00 0.00 0.00 175.17 173.71 3gor s LEU 147 N 1.60 3.46 0.87 2.11 1.43 -1.26 -5.10 118.68 121.79 3gor s LEU 147 Ca 0.28 -0.05 -0.11 0.00 -1.03 0.00 0.00 54.13 53.22 3gor s LEU 147 Cb -0.07 -2.02 0.12 0.00 0.03 0.00 0.00 46.19 44.25 3gor s LEU 147 CO -0.09 0.26 1.15 -2.84 0.23 0.00 0.00 176.35 175.06 3gor s PRO 148 N -1.67 1.37 0.50 1.29 0.02 -1.26 -4.98 135.00 130.27 3gor s PRO 148 Ca 0.20 1.53 -0.23 0.00 0.02 0.00 0.00 61.00 62.52 3gor s PRO 148 Cb -0.11 -1.77 -0.07 0.00 0.02 0.00 0.00 34.50 32.57 3gor s PRO 148 CO 0.11 -2.37 1.37 1.28 -0.33 0.00 0.00 177.00 177.06 3gor n LEU 149 N -3.91 5.22 0.32 -5.54 4.32 -1.26 -4.88 117.00 111.26 3gor n LEU 149 Ca 0.12 1.04 0.20 0.00 -0.02 0.00 0.00 56.01 57.34 3gor n LEU 149 Cb 0.52 -1.58 1.08 0.00 -1.62 0.00 0.00 43.42 41.82 3gor n LEU 149 CO 0.50 -0.46 1.16 2.19 -1.22 0.00 0.00 177.39 179.56 3gor h PHE 150 N 1.77 0.00 -3.83 -1.77 -0.00 -1.98 -3.40 116.94 107.73 3gor h PHE 150 Ca -0.51 0.00 -0.27 0.00 -0.00 0.00 0.00 57.97 57.20 3gor h PHE 150 Cb 1.29 0.00 -0.27 0.00 -0.00 0.00 0.00 35.95 36.97 3gor h PHE 150 CO 0.47 0.00 -0.73 0.54 -0.00 0.00 0.00 178.31 178.59 3gor s VAL 151 N -4.32 0.21 -0.34 0.88 0.11 -1.26 -4.85 120.40 110.83 3gor s VAL 151 Ca -0.05 -0.21 -0.21 0.00 -2.93 0.00 0.00 61.98 58.58 3gor s VAL 151 Cb 0.13 -0.20 -0.00 0.00 -1.53 0.00 0.00 36.38 34.78 3gor s VAL 151 CO 0.45 -0.01 0.65 -0.54 -3.33 0.00 0.00 175.10 172.32 3gor s LYS 152 N -0.23 3.75 0.00 1.54 1.02 -0.07 -5.04 119.74 120.71 3gor s LYS 152 Ca -0.01 0.15 0.00 0.00 0.02 0.00 0.00 55.97 56.14 3gor s LYS 152 Cb -0.02 -3.78 0.00 0.00 -0.52 0.00 0.00 37.83 33.51 3gor s LYS 152 CO -0.00 -0.70 0.00 0.54 -0.92 0.00 0.00 175.35 174.27 3gor n ARG 153 N 6.03 1.26 0.00 1.68 1.74 -1.26 -4.62 116.66 121.48 3gor n ARG 153 Ca -0.01 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.07 3gor n ARG 153 Cb 0.49 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 31.93 3gor n ARG 153 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52