#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3gn1 s ALA 3 N 0.00 3.26 0.90 4.31 0.00 -1.26 -5.04 121.76 123.93 3gn1 s ALA 3 Ca 0.00 0.68 -0.12 0.00 0.00 0.00 0.00 51.96 52.52 3gn1 s ALA 3 Cb 0.00 -3.24 0.13 0.00 0.00 0.00 0.00 23.12 20.01 3gn1 s ALA 3 CO 0.00 0.02 1.10 -1.25 0.00 0.00 0.00 175.76 175.63 3gn1 s PRO 4 N -1.80 1.21 0.02 0.00 0.04 -1.26 -4.76 135.00 128.45 3gn1 s PRO 4 Ca 0.48 0.58 0.06 0.00 0.04 0.00 0.00 61.00 62.17 3gn1 s PRO 4 Cb -0.24 -1.82 -0.02 0.00 0.04 0.00 0.00 34.50 32.45 3gn1 s PRO 4 CO 0.31 -2.21 -0.19 0.00 0.04 0.00 0.00 177.00 174.94 3gn1 s ALA 5 N -3.07 1.62 0.02 8.56 0.00 -1.26 -0.52 121.76 127.11 3gn1 s ALA 5 Ca 0.63 -0.93 0.06 0.00 0.00 0.00 0.00 51.96 51.72 3gn1 s ALA 5 Cb -0.17 -0.35 -0.02 0.00 0.00 0.00 0.00 23.12 22.58 3gn1 s ALA 5 CO 0.56 0.37 -0.18 0.00 0.00 0.00 0.00 175.76 176.51 3gn1 s ALA 6 N -0.65 1.52 -0.20 0.00 0.00 0.74 -0.37 121.76 122.80 3gn1 s ALA 6 Ca 0.07 -0.89 -0.11 0.00 0.00 0.00 0.00 51.96 51.03 3gn1 s ALA 6 Cb -0.08 -0.32 -0.05 0.00 0.00 0.00 0.00 23.12 22.67 3gn1 s ALA 6 CO 0.01 0.35 0.16 0.08 0.00 0.00 0.00 175.76 176.35 3gn1 s VAL 7 N -0.65 5.38 -0.17 0.00 1.01 0.55 -1.07 120.40 125.45 3gn1 s VAL 7 Ca 0.06 0.25 0.01 0.00 0.00 0.00 0.00 61.98 62.30 3gn1 s VAL 7 Cb -0.08 -3.50 0.02 0.00 0.00 0.00 0.00 36.38 32.82 3gn1 s VAL 7 CO 0.01 0.42 -0.19 -0.69 0.00 0.00 0.00 175.10 174.64 3gn1 s VAL 8 N 0.50 1.98 0.31 2.92 1.01 -0.88 0.25 120.40 126.49 3gn1 s VAL 8 Ca 0.09 -0.89 -0.12 0.00 0.00 0.00 0.00 61.98 61.06 3gn1 s VAL 8 Cb -0.12 -1.79 -0.08 0.00 0.00 0.00 0.00 36.38 34.39 3gn1 s VAL 8 CO -0.00 0.53 0.68 0.42 0.00 0.00 0.00 175.10 176.73 3gn1 s THR 9 N 1.28 4.78 -1.34 3.92 -4.23 -0.67 -1.90 115.64 117.48 3gn1 s THR 9 Ca 0.04 0.73 -0.03 0.00 -1.18 0.00 0.00 61.69 61.25 3gn1 s THR 9 Cb -0.13 -3.64 0.02 0.00 1.34 0.00 0.00 72.50 70.09 3gn1 s THR 9 CO -0.12 -0.21 0.85 0.61 -0.54 0.00 0.00 174.62 175.21 3gn1 n GLY 10 N -0.48 -0.36 0.68 3.99 0.00 -0.99 -2.65 105.19 105.37 3gn1 n GLY 10 Ca 0.02 0.15 0.13 0.00 0.00 0.00 0.00 46.02 46.32 3gn1 n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3gn1 n ALA 11 N -4.39 2.63 -0.01 4.61 0.00 -0.02 -4.04 120.51 119.29 3gn1 n ALA 11 Ca -0.21 -0.57 -0.04 0.00 0.00 0.00 0.00 53.44 52.63 3gn1 n ALA 11 Cb 0.64 -0.98 0.19 0.00 0.00 0.00 0.00 19.45 19.30 3gn1 n ALA 11 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3gn1 h ALA 12 N 4.43 1.10 -2.37 0.00 0.00 -1.88 -2.81 119.26 117.73 3gn1 h ALA 12 Ca 0.00 -0.32 -0.27 0.00 0.00 0.00 0.00 54.91 54.32 3gn1 h ALA 12 Cb 0.74 -0.14 -0.15 0.00 0.00 0.00 0.00 17.79 18.25 3gn1 h ALA 12 CO 0.00 0.56 -0.64 0.15 0.00 0.00 0.00 179.25 179.31 3gn1 s LYS 13 N -4.62 1.15 4.49 0.00 1.02 -1.26 -4.54 119.74 115.98 3gn1 s LYS 13 Ca -0.08 -1.58 0.00 0.00 0.02 0.00 0.00 55.97 54.34 3gn1 s LYS 13 Cb 0.14 -0.06 0.00 0.00 -0.52 0.00 0.00 37.83 37.39 3gn1 s LYS 13 CO 0.80 -0.24 0.00 0.54 -0.92 0.00 0.00 175.35 175.53 3gn1 n ARG 14 N -0.26 0.00 -0.22 1.68 1.74 -1.26 -1.70 116.66 116.63 3gn1 n ARG 14 Ca -0.03 0.00 -0.07 0.00 -0.77 0.00 0.00 57.85 56.97 3gn1 n ARG 14 Cb 0.64 0.00 0.03 0.00 -1.02 0.00 0.00 32.46 32.12 3gn1 n ARG 14 CO 0.00 0.00 0.00 0.82 -1.52 0.00 0.00 177.63 176.93 3gn1 h ILE 15 N 0.00 1.24 -0.59 0.55 2.04 -1.90 -2.30 117.51 116.54 3gn1 h ILE 15 Ca 0.00 -0.75 0.09 0.00 1.00 0.00 0.00 64.86 65.19 3gn1 h ILE 15 Cb 0.00 0.56 -0.07 0.00 -0.74 0.00 0.00 36.82 36.58 3gn1 h ILE 15 CO 0.00 0.29 0.23 1.23 0.00 0.00 0.00 178.15 179.90 3gn1 h GLY 16 N 0.87 0.82 0.92 5.37 0.00 -1.66 -0.62 103.07 108.78 3gn1 h GLY 16 Ca 0.21 -0.13 -0.03 0.00 0.00 0.00 0.00 47.33 47.38 3gn1 h GLY 16 CO -0.01 0.00 0.11 -0.09 0.00 0.00 0.00 176.54 176.55 3gn1 h ARG 17 N 0.42 0.52 -0.30 4.80 2.43 -0.96 -0.94 114.38 120.35 3gn1 h ARG 17 Ca 0.29 -0.11 -0.03 0.00 -0.81 0.00 0.00 59.98 59.32 3gn1 h ARG 17 Cb 0.34 -0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 29.79 3gn1 h ARG 17 CO -0.28 0.55 0.05 0.00 -1.51 0.00 0.00 179.97 178.78 3gn1 h ALA 18 N 0.95 1.53 -0.30 2.80 0.00 -0.96 0.16 119.26 123.44 3gn1 h ALA 18 Ca 0.11 -0.14 -0.03 0.00 0.00 0.00 0.00 54.91 54.85 3gn1 h ALA 18 Cb 0.24 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 3gn1 h ALA 18 CO -0.00 0.35 0.07 0.82 0.00 0.00 0.00 179.25 180.49 3gn1 h ILE 19 N 0.43 1.22 -0.39 0.00 2.04 -0.79 -1.06 117.51 118.96 3gn1 h ILE 19 Ca 0.10 -0.73 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 3gn1 h ILE 19 Cb 0.20 1.12 -0.02 0.00 -0.74 0.00 0.00 36.82 37.39 3gn1 h ILE 19 CO -0.00 0.24 0.23 0.00 0.00 0.00 0.00 178.15 178.62 3gn1 h ALA 20 N 0.90 0.50 -0.35 1.87 0.00 -0.53 -0.30 119.26 121.36 3gn1 h ALA 20 Ca 0.09 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.93 3gn1 h ALA 20 Cb 0.30 -0.16 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gn1 h ALA 20 CO 0.00 0.01 0.19 0.28 0.00 0.00 0.00 179.25 179.73 3gn1 h VAL 21 N 0.51 1.14 -0.65 0.00 2.07 -0.68 -1.70 116.25 116.95 3gn1 h VAL 21 Ca 0.14 -0.38 -0.09 0.00 0.82 0.00 0.00 66.70 67.19 3gn1 h VAL 21 Cb 0.03 0.76 -0.02 0.00 -1.52 0.00 0.00 31.29 30.54 3gn1 h VAL 21 CO -0.02 0.15 0.06 0.11 0.02 0.00 0.00 177.57 177.88 3gn1 h LYS 22 N 0.43 1.10 -0.52 1.57 1.57 -1.01 -0.02 116.57 119.69 3gn1 h LYS 22 Ca 0.12 -0.32 0.03 0.00 -1.87 0.00 0.00 60.65 58.61 3gn1 h LYS 22 Cb 0.07 -0.12 -0.04 0.00 0.08 0.00 0.00 32.23 32.23 3gn1 h LYS 22 CO -0.02 1.03 0.30 -0.07 -0.57 0.00 0.00 179.45 180.12 3gn1 h LEU 23 N 1.01 0.47 -0.35 2.94 3.38 -0.97 -1.11 115.31 120.68 3gn1 h LEU 23 Ca 0.19 0.01 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 3gn1 h LEU 23 Cb 0.50 -0.09 -0.02 0.00 0.09 0.00 0.00 40.66 41.15 3gn1 h LEU 23 CO 0.02 0.33 0.19 -0.74 0.09 0.00 0.00 178.44 178.33 3gn1 h HIS 24 N 0.59 0.48 -0.50 1.13 2.76 -1.06 0.06 115.15 118.61 3gn1 h HIS 24 Ca 0.21 -0.01 0.06 0.00 -2.20 0.00 0.00 60.37 58.43 3gn1 h HIS 24 Cb 0.05 -0.15 -0.03 0.00 1.55 0.00 0.00 27.41 28.83 3gn1 h HIS 24 CO -0.07 0.38 0.34 1.96 -1.30 0.00 0.00 177.93 179.23 3gn1 h GLN 25 N 0.44 0.42 0.00 5.26 4.20 -0.81 -1.73 115.11 122.89 3gn1 h GLN 25 Ca 0.12 -0.03 0.00 0.00 0.06 0.00 0.00 58.65 58.81 3gn1 h GLN 25 Cb 0.06 -0.10 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gn1 h GLN 25 CO -0.02 0.28 0.00 2.41 -0.67 0.00 0.00 178.83 180.83 3gn1 n THR 26 N -4.47 0.34 0.00 -0.54 -1.04 -0.44 -4.89 114.28 103.24 3gn1 n THR 26 Ca 0.07 -0.07 0.00 0.00 -2.04 0.00 0.00 64.05 62.00 3gn1 n THR 26 Cb 0.25 -0.61 0.00 0.00 -1.82 0.00 0.00 70.33 68.15 3gn1 n THR 26 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 3gn1 n GLY 27 N 1.23 1.08 3.78 3.41 0.00 -0.65 -5.08 105.19 108.96 3gn1 n GLY 27 Ca 0.06 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.71 3gn1 n GLY 27 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3gn1 s TYR 28 N -2.00 3.44 0.27 1.61 1.51 -0.05 -4.38 117.35 117.75 3gn1 s TYR 28 Ca 0.00 1.69 -0.19 0.00 -1.01 0.00 0.00 57.07 57.57 3gn1 s TYR 28 Cb 0.00 -3.05 -0.09 0.00 -0.11 0.00 0.00 41.96 38.71 3gn1 s TYR 28 CO 0.00 -0.30 0.75 1.03 -1.11 0.00 0.00 175.55 175.92 3gn1 s ARG 29 N -2.31 4.19 -0.03 -0.62 0.52 0.32 -4.07 118.95 116.95 3gn1 s ARG 29 Ca 0.54 0.85 0.02 0.00 -0.52 0.00 0.00 55.73 56.62 3gn1 s ARG 29 Cb -0.21 -2.71 0.01 0.00 0.52 0.00 0.00 34.95 32.56 3gn1 s ARG 29 CO 0.26 0.30 -0.09 0.14 0.02 0.00 0.00 175.30 175.93 3gn1 s VAL 30 N -1.70 0.83 -0.27 3.52 -7.23 0.70 -0.18 120.40 116.07 3gn1 s VAL 30 Ca 0.48 -0.37 -0.19 0.00 -1.81 0.00 0.00 61.98 60.09 3gn1 s VAL 30 Cb -0.14 -0.75 -0.02 0.00 0.56 0.00 0.00 36.38 36.03 3gn1 s VAL 30 CO 0.20 0.26 0.56 -0.69 -0.31 0.00 0.00 175.10 175.12 3gn1 s VAL 31 N 0.32 5.02 -0.73 1.32 1.01 -0.24 -1.53 120.40 125.57 3gn1 s VAL 31 Ca -0.05 0.89 -0.19 0.00 0.00 0.00 0.00 61.98 62.63 3gn1 s VAL 31 Cb -0.10 -3.89 0.12 0.00 0.00 0.00 0.00 36.38 32.50 3gn1 s VAL 31 CO 0.01 0.01 0.90 -0.63 0.00 0.00 0.00 175.10 175.39 3gn1 s ILE 32 N 2.41 4.75 0.33 2.22 1.01 0.78 -2.07 121.20 130.63 3gn1 s ILE 32 Ca 0.23 -1.17 -0.26 0.00 0.00 0.00 0.00 60.65 59.45 3gn1 s ILE 32 Cb -0.15 -4.62 -0.10 0.00 0.01 0.00 0.00 42.46 37.60 3gn1 s ILE 32 CO 0.10 -1.31 0.97 -2.28 0.00 0.00 0.00 174.94 172.42 3gn1 s HIS 33 N 2.77 3.63 0.15 3.97 5.65 -0.80 -1.22 115.29 129.43 3gn1 s HIS 33 Ca 0.21 1.76 -0.12 0.00 0.25 0.00 0.00 55.06 57.16 3gn1 s HIS 33 Cb -0.15 -2.99 0.01 0.00 -1.18 0.00 0.00 32.58 28.27 3gn1 s HIS 33 CO 0.01 0.02 0.35 1.52 -0.65 0.00 0.00 174.74 175.99 3gn1 s TYR 34 N -1.57 0.12 -0.00 3.88 -0.85 -0.69 -0.84 117.35 117.40 3gn1 s TYR 34 Ca 0.51 -0.49 -0.01 0.00 -0.52 0.00 0.00 57.07 56.56 3gn1 s TYR 34 Cb -0.21 0.11 -0.00 0.00 0.38 0.00 0.00 41.96 42.24 3gn1 s TYR 34 CO 0.26 -0.73 -0.01 1.58 -1.52 0.00 0.00 175.55 175.13 3gn1 n HIS 35 N -0.22 0.00 -0.03 -3.49 -0.00 -1.26 -1.50 115.22 108.72 3gn1 n HIS 35 Ca -0.11 0.00 0.04 0.00 -0.00 0.00 0.00 57.72 57.66 3gn1 n HIS 35 Cb 0.63 -0.01 -0.15 0.00 -0.00 0.00 0.00 29.99 30.46 3gn1 n HIS 35 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.34 176.43 3gn1 n ASN 36 N -2.60 0.65 -3.62 0.26 3.02 -1.26 -4.75 115.26 106.96 3gn1 n ASN 36 Ca -0.00 0.00 -0.41 0.00 -0.03 0.00 0.00 54.58 54.14 3gn1 n ASN 36 Cb 0.02 1.61 -0.01 0.00 -0.61 0.00 0.00 39.78 40.79 3gn1 n ASN 36 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3gn1 n SER 37 N -2.30 6.43 -0.07 6.41 7.64 -1.26 -4.72 113.62 125.75 3gn1 n SER 37 Ca -0.11 -2.96 -0.11 0.00 1.01 0.00 0.00 58.87 56.70 3gn1 n SER 37 Cb 0.66 -1.49 -0.05 0.00 -1.01 0.00 0.00 64.21 62.32 3gn1 n SER 37 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gn1 h ALA 38 N 5.31 0.29 -0.23 -0.43 0.00 -1.97 -2.16 119.26 120.07 3gn1 h ALA 38 Ca 0.61 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.34 3gn1 h ALA 38 Cb 0.47 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.17 3gn1 h ALA 38 CO 1.67 -0.04 0.11 0.93 0.00 0.00 0.00 179.25 181.91 3gn1 h GLU 39 N 0.16 0.34 -0.87 0.00 5.08 -2.00 -2.20 114.58 115.08 3gn1 h GLU 39 Ca 0.07 -0.05 0.01 0.00 -1.00 0.00 0.00 59.36 58.38 3gn1 h GLU 39 Cb 0.31 -0.06 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 3gn1 h GLU 39 CO 0.00 0.35 0.58 0.00 -1.00 0.00 0.00 179.01 178.95 3gn1 h ALA 40 N 0.96 1.10 -0.08 3.43 0.00 -1.90 -0.94 119.26 121.84 3gn1 h ALA 40 Ca 0.08 -0.06 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 3gn1 h ALA 40 Cb 0.13 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.57 3gn1 h ALA 40 CO -0.01 0.51 -0.01 0.00 0.00 0.00 0.00 179.25 179.74 3gn1 h ALA 41 N 1.32 0.11 -0.85 0.00 0.00 -1.23 0.36 119.26 118.97 3gn1 h ALA 41 Ca 0.32 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 55.02 3gn1 h ALA 41 Cb -0.14 -0.03 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 3gn1 h ALA 41 CO -0.07 -0.18 0.49 0.28 0.00 0.00 0.00 179.25 179.77 3gn1 h VAL 42 N -0.17 1.24 -0.57 0.00 2.07 -1.41 0.32 116.25 117.74 3gn1 h VAL 42 Ca 0.02 -0.56 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 3gn1 h VAL 42 Cb 0.39 0.06 -0.02 0.00 -1.52 0.00 0.00 31.29 30.20 3gn1 h VAL 42 CO 0.01 0.26 0.16 -1.28 0.02 0.00 0.00 177.57 176.74 3gn1 h SER 43 N 1.18 0.84 -0.20 0.57 0.87 -1.10 -1.23 113.55 114.49 3gn1 h SER 43 Ca 0.30 -0.22 -0.01 0.00 -1.23 0.00 0.00 61.79 60.63 3gn1 h SER 43 Cb -0.02 -0.22 -0.01 0.00 -0.44 0.00 0.00 62.40 61.71 3gn1 h SER 43 CO -0.05 0.84 0.08 0.25 -0.53 0.00 0.00 176.83 177.42 3gn1 h LEU 44 N 0.80 0.27 -0.87 2.23 5.85 -0.29 -1.48 115.31 121.82 3gn1 h LEU 44 Ca 0.18 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.79 3gn1 h LEU 44 Cb 0.31 -0.07 -0.06 0.00 0.37 0.00 0.00 40.66 41.21 3gn1 h LEU 44 CO -0.00 0.37 0.55 0.00 -0.34 0.00 0.00 178.44 179.01 3gn1 h ALA 45 N 0.92 1.18 0.18 1.25 0.00 -0.92 -0.96 119.26 120.91 3gn1 h ALA 45 Ca 0.07 -0.02 0.01 0.00 0.00 0.00 0.00 54.91 54.96 3gn1 h ALA 45 Cb 0.18 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gn1 h ALA 45 CO -0.01 0.33 -0.21 -0.44 0.00 0.00 0.00 179.25 178.93 3gn1 h ASP 46 N 1.03 -0.57 -0.13 0.00 5.19 -1.15 0.14 116.42 120.93 3gn1 h ASP 46 Ca 0.37 0.06 0.04 0.00 -0.62 0.00 0.00 57.03 56.88 3gn1 h ASP 46 Cb 0.11 0.20 -0.05 0.00 0.18 0.00 0.00 39.33 39.78 3gn1 h ASP 46 CO -0.15 -0.31 -0.16 -0.08 -3.12 0.00 0.00 179.24 175.42 3gn1 h GLU 47 N -0.44 -0.20 -0.59 3.56 4.81 -0.88 -0.88 114.58 119.97 3gn1 h GLU 47 Ca 0.01 0.01 -0.08 0.00 -0.13 0.00 0.00 59.36 59.17 3gn1 h GLU 47 Cb 0.42 0.04 -0.02 0.00 0.63 0.00 0.00 28.75 29.82 3gn1 h GLU 47 CO -0.07 -0.13 0.06 -0.07 -0.73 0.00 0.00 179.01 178.07 3gn1 h LEU 48 N -0.20 0.94 -1.30 1.64 3.38 -1.12 -2.76 115.31 115.89 3gn1 h LEU 48 Ca 0.10 -0.23 -0.06 0.00 0.09 0.00 0.00 57.88 57.78 3gn1 h LEU 48 Cb 0.34 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 40.84 3gn1 h LEU 48 CO -0.25 0.97 -0.29 0.78 0.09 0.00 0.00 178.44 179.74 3gn1 h ASN 49 N 0.91 0.00 -0.79 -0.43 2.35 -0.51 -2.18 115.58 114.93 3gn1 h ASN 49 Ca 0.18 0.00 -0.02 0.00 -0.55 0.00 0.00 56.30 55.91 3gn1 h ASN 49 Cb 0.46 0.00 -0.04 0.00 0.05 0.00 0.00 38.32 38.79 3gn1 h ASN 49 CO 0.02 0.29 0.41 0.11 -1.65 0.00 0.00 177.43 176.61 3gn1 h LYS 50 N 0.00 1.12 -0.04 0.81 1.57 -0.86 -2.66 116.57 116.51 3gn1 h LYS 50 Ca -0.00 -0.14 -0.05 0.00 -1.87 0.00 0.00 60.65 58.59 3gn1 h LYS 50 Cb 0.67 -0.22 0.00 0.00 0.08 0.00 0.00 32.23 32.77 3gn1 h LYS 50 CO 0.04 0.84 -0.17 0.93 -0.57 0.00 0.00 179.45 180.51 3gn1 h GLU 51 N 1.12 0.19 -3.04 3.15 4.39 -1.36 -3.43 114.58 115.60 3gn1 h GLU 51 Ca 0.28 -0.15 -0.39 0.00 0.34 0.00 0.00 59.36 59.44 3gn1 h GLU 51 Cb 0.06 0.03 -0.39 0.00 -0.10 0.00 0.00 28.75 28.35 3gn1 h GLU 51 CO -0.04 0.79 -0.71 1.03 -1.16 0.00 0.00 179.01 178.92 3gn1 s ARG 52 N -3.63 0.04 0.60 2.33 0.52 -0.87 -5.14 118.95 112.80 3gn1 s ARG 52 Ca -0.15 0.16 -0.19 0.00 -0.52 0.00 0.00 55.73 55.03 3gn1 s ARG 52 Cb 0.02 -1.20 -0.03 0.00 0.52 0.00 0.00 34.95 34.26 3gn1 s ARG 52 CO 0.73 -0.54 1.26 -1.54 0.02 0.00 0.00 175.30 175.24 3gn1 s SER 53 N 2.20 5.01 -1.45 0.23 1.04 -1.00 -3.25 113.70 116.48 3gn1 s SER 53 Ca 0.04 2.53 -0.08 0.00 0.48 0.00 0.00 55.95 58.92 3gn1 s SER 53 Cb -0.14 -2.61 0.05 0.00 0.10 0.00 0.00 66.02 63.41 3gn1 s SER 53 CO -0.08 -1.72 0.84 0.59 0.98 0.00 0.00 173.24 173.85 3gn1 n ASN 54 N -1.59 -3.15 0.00 7.02 3.02 -1.26 -4.91 115.26 114.40 3gn1 n ASN 54 Ca 0.14 -0.81 0.00 0.00 -0.03 0.00 0.00 54.58 53.87 3gn1 n ASN 54 Cb 0.48 -3.87 0.00 0.00 -0.61 0.00 0.00 39.78 35.78 3gn1 n ASN 54 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 3gn1 n THR 55 N -4.51 0.27 -3.74 3.41 -2.24 -1.20 -5.03 114.28 101.23 3gn1 n THR 55 Ca -0.11 -0.62 -0.12 0.00 -2.27 0.00 0.00 64.05 60.93 3gn1 n THR 55 Cb 0.59 0.88 -0.11 0.00 -2.10 0.00 0.00 70.33 69.59 3gn1 n THR 55 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3gn1 s ALA 56 N -0.27 -0.77 0.09 6.98 0.00 -1.26 -0.21 121.76 126.32 3gn1 s ALA 56 Ca 0.00 1.02 0.02 0.00 0.00 0.00 0.00 51.96 53.00 3gn1 s ALA 56 Cb 0.00 -0.61 -0.04 0.00 0.00 0.00 0.00 23.12 22.47 3gn1 s ALA 56 CO 0.00 -0.18 -0.07 0.14 0.00 0.00 0.00 175.76 175.65 3gn1 s VAL 57 N 0.63 0.69 0.23 0.00 -7.23 -0.58 -4.93 120.40 109.21 3gn1 s VAL 57 Ca -0.04 -1.76 -0.01 0.00 -1.81 0.00 0.00 61.98 58.36 3gn1 s VAL 57 Cb -0.05 -1.47 -0.04 0.00 0.56 0.00 0.00 36.38 35.38 3gn1 s VAL 57 CO -0.04 -0.76 0.44 0.68 -0.31 0.00 0.00 175.10 175.10 3gn1 s VAL 58 N -3.13 5.16 -0.13 1.32 -7.23 -1.26 -0.16 120.40 114.97 3gn1 s VAL 58 Ca 0.07 -0.32 -0.04 0.00 -1.81 0.00 0.00 61.98 59.89 3gn1 s VAL 58 Cb 0.02 -3.75 0.06 0.00 0.56 0.00 0.00 36.38 33.27 3gn1 s VAL 58 CO -0.03 -0.25 0.19 0.00 -0.31 0.00 0.00 175.10 174.70 3gn1 s GLN 60 N 2.32 4.20 -0.28 0.00 -0.44 -1.26 -1.71 119.66 122.49 3gn1 s GLN 60 Ca 0.04 0.53 -0.22 0.00 -2.50 0.00 0.00 55.36 53.20 3gn1 s GLN 60 Cb -0.13 -3.33 0.11 0.00 -1.64 0.00 0.00 33.01 28.02 3gn1 s GLN 60 CO -0.08 0.41 0.92 0.00 0.50 0.00 0.00 175.29 177.04 3gn1 s ALA 61 N -0.23 -1.98 -0.03 1.58 0.00 -0.56 -4.96 121.76 115.58 3gn1 s ALA 61 Ca 0.27 2.03 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 3gn1 s ALA 61 Cb -0.17 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.48 3gn1 s ALA 61 CO 0.14 -0.29 1.15 0.34 0.00 0.00 0.00 175.76 177.10 3gn1 s ASP 62 N 0.61 7.12 -0.01 0.00 -1.08 -1.26 -4.23 116.67 117.82 3gn1 s ASP 62 Ca -0.01 1.81 0.17 0.00 -0.52 0.00 0.00 52.55 54.00 3gn1 s ASP 62 Cb -0.05 -2.56 0.50 0.00 -1.46 0.00 0.00 42.92 39.35 3gn1 s ASP 62 CO -0.08 -0.51 1.42 0.18 0.52 0.00 0.00 175.17 176.71 3gn1 n LEU 63 N 4.74 3.56 -4.69 -1.34 4.77 -1.26 -4.96 117.00 117.82 3gn1 n LEU 63 Ca 0.10 -2.03 -0.41 0.00 -0.03 0.00 0.00 56.01 53.63 3gn1 n LEU 63 Cb 0.47 -0.39 0.01 0.00 -2.33 0.00 0.00 43.42 41.18 3gn1 n LEU 63 CO 0.55 0.87 0.85 0.41 -1.33 0.00 0.00 177.39 178.74 3gn1 n THR 64 N 1.11 2.43 -2.42 -5.08 -1.04 -1.26 -2.91 114.28 105.11 3gn1 n THR 64 Ca 0.19 -0.50 -0.40 0.00 -2.04 0.00 0.00 64.05 61.30 3gn1 n THR 64 Cb 0.55 -1.52 -0.04 0.00 -1.82 0.00 0.00 70.33 67.50 3gn1 n THR 64 CO 0.00 0.00 0.00 0.21 -0.64 0.00 0.00 175.07 174.64 3gn1 s ASN 65 N -0.51 7.19 0.15 8.00 2.47 -0.18 -4.76 114.94 127.30 3gn1 s ASN 65 Ca 0.60 2.31 -0.24 0.00 0.42 0.00 0.00 52.86 55.95 3gn1 s ASN 65 Cb -0.53 -2.63 0.08 0.00 -1.45 0.00 0.00 41.25 36.72 3gn1 s ASN 65 CO 0.59 -0.22 1.05 -0.94 -3.72 0.00 0.00 177.10 173.85 3gn1 s SER 66 N -0.68 -0.05 0.22 -4.21 1.04 -1.26 -4.83 113.70 103.92 3gn1 s SER 66 Ca 0.46 -0.54 0.20 0.00 0.48 0.00 0.00 55.95 56.55 3gn1 s SER 66 Cb -0.33 0.46 0.90 0.00 0.10 0.00 0.00 66.02 67.15 3gn1 s SER 66 CO 0.42 -0.89 1.60 0.59 0.98 0.00 0.00 173.24 175.94 3gn1 n ASN 67 N -0.94 0.49 -0.53 7.02 5.03 -1.26 -2.01 115.26 123.06 3gn1 n ASN 67 Ca -0.04 0.66 0.10 0.00 0.87 0.00 0.00 54.58 56.16 3gn1 n ASN 67 Cb 0.60 -0.75 0.02 0.00 -1.02 0.00 0.00 39.78 38.63 3gn1 n ASN 67 CO 0.00 0.00 0.00 0.52 -1.83 0.00 0.00 177.26 175.95 3gn1 n VAL 68 N -2.08 0.00 -0.25 2.41 0.31 -1.26 -4.51 118.33 112.94 3gn1 n VAL 68 Ca 0.01 -0.34 -0.02 0.00 -0.01 0.00 0.00 64.34 63.97 3gn1 n VAL 68 Cb 0.15 1.28 0.09 0.00 -0.91 0.00 0.00 33.84 34.45 3gn1 n VAL 68 CO 0.00 0.00 0.00 0.25 -1.32 0.00 0.00 176.83 175.76 3gn1 h LEU 69 N 2.61 0.70 -0.43 7.52 5.85 -1.70 -1.06 115.31 128.80 3gn1 h LEU 69 Ca 0.00 0.01 0.06 0.00 0.84 0.00 0.00 57.88 58.79 3gn1 h LEU 69 Cb 0.71 -0.14 -0.05 0.00 0.37 0.00 0.00 40.66 41.55 3gn1 h LEU 69 CO 0.00 0.47 0.11 -0.65 -0.34 0.00 0.00 178.44 178.04 3gn1 h PRO 70 N 0.84 0.25 -0.56 5.25 0.11 -1.79 0.11 132.00 136.21 3gn1 h PRO 70 Ca 0.30 -0.01 0.08 0.00 0.11 0.00 0.00 66.00 66.48 3gn1 h PRO 70 Cb 0.08 -0.06 -0.07 0.00 0.11 0.00 0.00 31.00 31.07 3gn1 h PRO 70 CO -0.14 0.16 0.20 0.00 -0.21 0.00 0.00 178.00 178.02 3gn1 h ALA 71 N 1.31 0.70 -0.39 -0.75 0.00 -1.73 0.10 119.26 118.50 3gn1 h ALA 71 Ca 0.21 0.08 -0.02 0.00 0.00 0.00 0.00 54.91 55.18 3gn1 h ALA 71 Cb 0.23 0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gn1 h ALA 71 CO -0.25 -0.21 0.17 0.77 0.00 0.00 0.00 179.25 179.74 3gn1 h SER 72 N 0.37 0.53 -0.67 0.00 0.02 -0.31 -1.13 113.55 112.36 3gn1 h SER 72 Ca 0.28 -0.15 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 3gn1 h SER 72 Cb 0.33 -0.14 -0.03 0.00 0.14 0.00 0.00 62.40 62.71 3gn1 h SER 72 CO -0.29 0.53 0.22 0.00 -1.14 0.00 0.00 176.83 176.14 3gn1 h GLU 74 N 1.02 1.15 -0.23 0.00 4.57 -0.57 -2.77 114.58 117.75 3gn1 h GLU 74 Ca 0.22 -0.15 -0.12 0.00 -1.18 0.00 0.00 59.36 58.13 3gn1 h GLU 74 Cb 0.28 -0.22 -0.01 0.00 -0.16 0.00 0.00 28.75 28.65 3gn1 h GLU 74 CO -0.01 0.87 -0.37 1.49 -1.18 0.00 0.00 179.01 179.81 3gn1 h GLU 75 N 1.14 0.51 -0.37 1.92 4.57 -1.01 0.82 114.58 122.16 3gn1 h GLU 75 Ca 0.28 -0.24 -0.02 0.00 -1.18 0.00 0.00 59.36 58.20 3gn1 h GLU 75 Cb 0.08 -0.01 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 3gn1 h GLU 75 CO -0.04 0.80 0.13 0.82 -1.18 0.00 0.00 179.01 179.54 3gn1 h ILE 76 N 0.43 1.20 -0.00 2.32 2.04 -1.10 0.13 117.51 122.52 3gn1 h ILE 76 Ca 0.04 -0.63 -0.00 0.00 1.00 0.00 0.00 64.86 65.27 3gn1 h ILE 76 Cb 0.84 0.93 -0.00 0.00 -0.74 0.00 0.00 36.82 37.85 3gn1 h ILE 76 CO 0.07 0.22 0.00 0.40 0.00 0.00 0.00 178.15 178.84 3gn1 h ILE 77 N 0.44 1.19 -0.97 -0.67 1.08 -1.36 -2.66 117.51 114.56 3gn1 h ILE 77 Ca 0.12 -0.55 0.26 0.00 -0.39 0.00 0.00 64.86 64.29 3gn1 h ILE 77 Cb 0.22 1.56 -0.13 0.00 -3.07 0.00 0.00 36.82 35.40 3gn1 h ILE 77 CO -0.01 0.14 0.52 0.78 -0.69 0.00 0.00 178.15 178.89 3gn1 h ASN 78 N -0.23 0.51 -0.16 1.72 2.35 -0.68 -0.91 115.58 118.18 3gn1 h ASN 78 Ca 0.00 0.16 -0.04 0.00 -0.55 0.00 0.00 56.30 55.87 3gn1 h ASN 78 Cb 0.24 0.10 -0.01 0.00 0.05 0.00 0.00 38.32 38.69 3gn1 h ASN 78 CO 0.00 0.01 0.00 0.28 -1.65 0.00 0.00 177.43 176.07 3gn1 h SER 79 N 0.45 0.37 -0.14 5.81 0.02 -0.40 0.21 113.55 119.87 3gn1 h SER 79 Ca 0.64 -0.06 -0.03 0.00 -0.84 0.00 0.00 61.79 61.51 3gn1 h SER 79 Cb 1.28 -0.10 -0.00 0.00 0.14 0.00 0.00 62.40 63.72 3gn1 h SER 79 CO -0.53 0.43 -0.01 0.00 -1.14 0.00 0.00 176.83 175.57 3gn1 h PHE 81 N -0.03 0.97 -0.24 0.00 -1.00 -1.07 0.24 116.94 115.81 3gn1 h PHE 81 Ca 0.04 -0.02 -0.01 0.00 2.81 0.00 0.00 57.97 60.78 3gn1 h PHE 81 Cb 0.40 -0.31 -0.01 0.00 3.61 0.00 0.00 35.95 39.64 3gn1 h PHE 81 CO 0.04 0.68 0.09 -0.09 -1.61 0.00 0.00 178.31 177.43 3gn1 h ARG 82 N 0.99 0.36 -0.06 1.51 2.43 -0.51 0.21 114.38 119.30 3gn1 h ARG 82 Ca 0.25 -0.07 -0.11 0.00 -0.81 0.00 0.00 59.98 59.25 3gn1 h ARG 82 Cb 0.05 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 29.55 3gn1 h ARG 82 CO -0.04 0.41 -0.38 0.00 -1.51 0.00 0.00 179.97 178.46 3gn1 h ALA 83 N 0.93 0.13 0.00 2.80 0.00 -1.06 -3.41 119.26 118.66 3gn1 h ALA 83 Ca 0.08 -0.47 0.00 0.00 0.00 0.00 0.00 54.91 54.52 3gn1 h ALA 83 Cb 0.19 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.98 3gn1 h ALA 83 CO -0.01 0.23 0.00 1.19 0.00 0.00 0.00 179.25 180.66 3gn1 n PHE 84 N -4.38 0.00 -0.94 0.00 0.99 0.84 -5.01 117.46 108.95 3gn1 n PHE 84 Ca -0.09 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.36 3gn1 n PHE 84 Cb 0.54 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 39.02 3gn1 n PHE 84 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 3gn1 n GLY 85 N 0.60 0.51 3.49 1.37 0.00 0.72 -4.95 105.19 106.93 3gn1 n GLY 85 Ca 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.91 3gn1 n GLY 85 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 3gn1 s ARG 86 N -0.44 1.33 -0.20 1.61 1.70 -1.26 -4.94 118.95 116.75 3gn1 s ARG 86 Ca 0.00 -0.54 -0.04 0.00 -0.47 0.00 0.00 55.73 54.68 3gn1 s ARG 86 Cb 0.00 0.58 0.09 0.00 -0.57 0.00 0.00 34.95 35.04 3gn1 s ARG 86 CO 0.00 -0.59 0.18 0.00 -1.08 0.00 0.00 175.30 173.81 3gn1 n ASP 88 N 5.30 0.37 -3.85 0.00 9.92 0.50 -4.96 116.55 123.84 3gn1 n ASP 88 Ca -0.06 -0.02 -0.17 0.00 -0.53 0.00 0.00 54.79 54.01 3gn1 n ASP 88 Cb 0.49 0.78 -0.16 0.00 -0.64 0.00 0.00 41.12 41.59 3gn1 n ASP 88 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 3gn1 s VAL 89 N -2.49 0.24 -0.14 2.53 1.01 -0.94 -1.97 120.40 118.65 3gn1 s VAL 89 Ca -0.14 0.01 0.01 0.00 0.00 0.00 0.00 61.98 61.86 3gn1 s VAL 89 Cb 0.06 -0.30 -0.01 0.00 0.00 0.00 0.00 36.38 36.13 3gn1 s VAL 89 CO 0.78 0.14 -0.16 -0.22 0.00 0.00 0.00 175.10 175.65 3gn1 s LEU 90 N 0.79 2.52 -0.28 3.92 2.96 -0.76 -0.33 118.68 127.50 3gn1 s LEU 90 Ca -0.08 -0.42 -0.05 0.00 -0.22 0.00 0.00 54.13 53.36 3gn1 s LEU 90 Cb -0.11 -1.56 0.02 0.00 0.50 0.00 0.00 46.19 45.03 3gn1 s LEU 90 CO -0.01 0.13 0.03 -0.69 -1.32 0.00 0.00 176.35 174.49 3gn1 s VAL 91 N 0.54 3.59 -0.90 1.68 1.01 0.14 -0.94 120.40 125.52 3gn1 s VAL 91 Ca -0.10 -0.82 -0.18 0.00 0.00 0.00 0.00 61.98 60.88 3gn1 s VAL 91 Cb -0.16 -2.85 0.14 0.00 0.00 0.00 0.00 36.38 33.51 3gn1 s VAL 91 CO 0.04 0.11 1.06 0.20 0.00 0.00 0.00 175.10 176.52 3gn1 s ASN 92 N 1.44 6.61 -0.14 3.32 0.01 0.03 -1.67 114.94 124.54 3gn1 s ASN 92 Ca 0.02 -2.06 -0.00 0.00 -0.71 0.00 0.00 52.86 50.10 3gn1 s ASN 92 Cb -0.17 -2.37 -0.09 0.00 0.41 0.00 0.00 41.25 39.03 3gn1 s ASN 92 CO 0.00 -1.02 -0.13 -3.20 -1.51 0.00 0.00 177.10 171.24 3gn1 n ASN 93 N 6.27 2.66 -4.57 -1.22 5.15 -1.25 -0.56 115.26 121.74 3gn1 n ASN 93 Ca 0.21 -0.04 -0.47 0.00 -0.60 0.00 0.00 54.58 53.68 3gn1 n ASN 93 Cb 0.48 -0.25 -0.03 0.00 -0.53 0.00 0.00 39.78 39.46 3gn1 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gn1 n ALA 94 N -3.01 -0.71 -3.61 5.20 0.00 -1.09 -4.90 120.51 112.39 3gn1 n ALA 94 Ca -0.26 0.42 -0.02 0.00 0.00 0.00 0.00 53.44 53.58 3gn1 n ALA 94 Cb 0.76 -1.98 -0.05 0.00 0.00 0.00 0.00 19.45 18.18 3gn1 n ALA 94 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 3gn1 s SER 95 N -0.38 -0.95 0.15 0.00 0.15 -1.26 -4.39 113.70 107.02 3gn1 s SER 95 Ca 0.65 1.37 -0.23 0.00 0.70 0.00 0.00 55.95 58.44 3gn1 s SER 95 Cb -0.78 1.85 -0.08 0.00 -1.71 0.00 0.00 66.02 65.30 3gn1 s SER 95 CO 0.57 -0.20 0.71 0.00 1.20 0.00 0.00 173.24 175.51 3gn1 s ALA 96 N 2.34 3.48 -0.27 5.45 0.00 -1.26 -5.04 121.76 126.45 3gn1 s ALA 96 Ca -0.07 0.23 -0.01 0.00 0.00 0.00 0.00 51.96 52.11 3gn1 s ALA 96 Cb -0.08 -2.84 0.13 0.00 0.00 0.00 0.00 23.12 20.32 3gn1 s ALA 96 CO -0.19 0.33 0.28 0.12 0.00 0.00 0.00 175.76 176.30 3gn1 s PHE 97 N -1.21 -0.40 0.10 0.00 2.19 -1.26 -4.84 117.98 112.56 3gn1 s PHE 97 Ca 0.35 -0.12 -0.23 0.00 0.33 0.00 0.00 56.93 57.26 3gn1 s PHE 97 Cb -0.21 -0.46 0.06 0.00 -1.31 0.00 0.00 43.02 41.10 3gn1 s PHE 97 CO 0.23 -0.86 0.56 1.52 1.83 0.00 0.00 175.22 178.50 3gn1 s TYR 98 N 2.35 -0.48 0.44 10.12 -0.85 -1.26 -5.16 117.35 122.51 3gn1 s TYR 98 Ca 0.09 0.40 -0.23 0.00 -0.52 0.00 0.00 57.07 56.82 3gn1 s TYR 98 Cb -0.14 0.44 -0.08 0.00 0.38 0.00 0.00 41.96 42.56 3gn1 s TYR 98 CO -0.29 -0.75 1.10 -1.25 -1.52 0.00 0.00 175.55 172.84 3gn1 s PRO 99 N -3.10 3.90 -0.46 -3.49 0.04 -1.26 -4.69 135.00 125.94 3gn1 s PRO 99 Ca -0.02 1.60 0.03 0.00 0.04 0.00 0.00 61.00 62.66 3gn1 s PRO 99 Cb -0.00 -2.39 0.16 0.00 0.04 0.00 0.00 34.50 32.30 3gn1 s PRO 99 CO -0.07 -0.39 0.34 0.95 0.04 0.00 0.00 177.00 177.87 3gn1 s THR 100 N -1.66 0.86 0.39 1.26 -4.23 0.14 -4.98 115.64 107.42 3gn1 s THR 100 Ca 0.62 -2.81 -0.28 0.00 -1.18 0.00 0.00 61.69 58.05 3gn1 s THR 100 Cb -0.24 -1.60 -0.11 0.00 1.34 0.00 0.00 72.50 71.90 3gn1 s THR 100 CO 0.29 -1.13 1.48 -2.84 -0.54 0.00 0.00 174.62 171.88 3gn1 s PRO 101 N -0.05 4.04 0.21 3.99 0.02 -1.23 -4.25 135.00 137.74 3gn1 s PRO 101 Ca 0.28 2.55 0.04 0.00 0.02 0.00 0.00 61.00 63.90 3gn1 s PRO 101 Cb -0.04 -2.92 0.16 0.00 0.02 0.00 0.00 34.50 31.72 3gn1 s PRO 101 CO -0.15 -0.58 1.49 -0.07 -0.33 0.00 0.00 177.00 177.36 3gn1 h LEU 102 N 2.89 0.24 -8.63 -5.54 3.38 -2.00 -3.44 115.31 102.21 3gn1 h LEU 102 Ca -0.51 -0.16 -0.70 0.00 0.09 0.00 0.00 57.88 56.60 3gn1 h LEU 102 Cb 1.24 -0.07 -0.29 0.00 0.09 0.00 0.00 40.66 41.63 3gn1 h LEU 102 CO 0.64 0.87 -0.89 -0.69 0.09 0.00 0.00 178.44 178.46 3gn1 s VAL 103 N -3.54 2.06 0.54 1.22 1.01 -1.26 -5.26 120.40 115.17 3gn1 s VAL 103 Ca -0.03 -1.16 0.08 0.00 0.00 0.00 0.00 61.98 60.87 3gn1 s VAL 103 Cb 0.11 -1.72 0.05 0.00 0.00 0.00 0.00 36.38 34.82 3gn1 s VAL 103 CO 0.81 0.54 0.57 -1.10 0.00 0.00 0.00 175.10 175.92 3gn1 s GLN 104 N -0.72 2.34 0.22 2.72 -0.21 -1.26 -5.19 119.66 117.56 3gn1 s GLN 104 Ca 0.10 -1.77 0.23 0.00 0.02 0.00 0.00 55.36 53.95 3gn1 s GLN 104 Cb -0.10 -2.39 0.21 0.00 1.00 0.00 0.00 33.01 31.73 3gn1 s GLN 104 CO -0.00 -0.65 1.27 0.78 -2.12 0.00 0.00 175.29 174.56 3gn1 h GLY 113 N 0.54 0.00 -3.21 3.09 0.00 -2.08 -3.55 103.07 97.87 3gn1 h GLY 113 Ca -0.35 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.43 3gn1 h GLY 113 CO 0.50 0.00 0.65 0.28 0.00 0.00 0.00 176.54 177.96 3gn1 n LYS 114 N -2.54 2.00 -1.76 4.80 5.02 -1.26 -5.01 118.16 119.41 3gn1 n LYS 114 Ca 0.02 0.72 -0.32 0.00 -2.02 0.00 0.00 58.31 56.71 3gn1 n LYS 114 Cb 0.50 -2.59 0.04 0.00 -0.02 0.00 0.00 35.03 32.96 3gn1 n LYS 114 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3gn1 s THR 115 N -1.23 3.62 0.33 -0.18 -4.23 -1.26 -4.87 115.64 107.82 3gn1 s THR 115 Ca 0.65 0.68 0.02 0.00 -1.18 0.00 0.00 61.69 61.87 3gn1 s THR 115 Cb -0.44 -3.24 0.28 0.00 1.34 0.00 0.00 72.50 70.44 3gn1 s THR 115 CO 0.54 -0.54 1.96 1.62 -0.54 0.00 0.00 174.62 177.66 3gn1 h VAL 116 N -0.12 1.11 -0.17 2.29 3.04 -1.99 -1.43 116.25 118.98 3gn1 h VAL 116 Ca -0.46 -0.32 -0.08 0.00 -1.01 0.00 0.00 66.70 64.83 3gn1 h VAL 116 Cb 1.23 0.09 -0.01 0.00 -2.01 0.00 0.00 31.29 30.59 3gn1 h VAL 116 CO 0.55 0.17 -0.25 -0.33 -1.01 0.00 0.00 177.57 176.71 3gn1 h GLU 117 N 0.93 0.31 -0.56 4.17 4.39 -1.99 0.16 114.58 121.98 3gn1 h GLU 117 Ca 0.31 -0.10 -0.07 0.00 0.34 0.00 0.00 59.36 59.84 3gn1 h GLU 117 Cb 0.08 -0.02 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3gn1 h GLU 117 CO -0.09 0.54 0.06 1.15 -1.16 0.00 0.00 179.01 179.50 3gn1 h THR 118 N 0.28 1.26 -0.67 1.13 2.02 -1.72 -0.86 112.91 114.34 3gn1 h THR 118 Ca 0.04 -1.03 -0.07 0.00 0.77 0.00 0.00 66.41 66.12 3gn1 h THR 118 Cb 0.59 0.83 -0.03 0.00 -1.74 0.00 0.00 68.15 67.80 3gn1 h THR 118 CO 0.04 0.37 0.14 1.56 0.37 0.00 0.00 175.52 178.00 3gn1 h GLN 119 N 0.84 1.10 0.16 6.66 4.20 -0.81 -0.28 115.11 126.97 3gn1 h GLN 119 Ca 0.17 -0.28 0.01 0.00 0.06 0.00 0.00 58.65 58.61 3gn1 h GLN 119 Cb 0.46 -0.14 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 3gn1 h GLN 119 CO 0.02 0.99 -0.19 0.28 -0.67 0.00 0.00 178.83 179.25 3gn1 h VAL 120 N 1.02 0.57 -0.83 -0.54 2.07 -0.89 -0.36 116.25 117.30 3gn1 h VAL 120 Ca 0.21 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.82 3gn1 h VAL 120 Cb 0.41 0.57 -0.07 0.00 -1.52 0.00 0.00 31.29 30.67 3gn1 h VAL 120 CO 0.01 0.00 0.48 0.00 0.02 0.00 0.00 177.57 178.08 3gn1 h ALA 121 N 0.38 1.17 0.01 1.67 0.00 -0.90 0.97 119.26 122.57 3gn1 h ALA 121 Ca 0.01 0.03 -0.05 0.00 0.00 0.00 0.00 54.91 54.90 3gn1 h ALA 121 Cb 0.39 -0.14 0.00 0.00 0.00 0.00 0.00 17.79 18.04 3gn1 h ALA 121 CO -0.07 0.12 -0.21 0.93 0.00 0.00 0.00 179.25 180.02 3gn1 h GLU 122 N 0.81 0.13 -0.01 0.00 5.08 -0.93 -0.14 114.58 119.51 3gn1 h GLU 122 Ca 0.39 -0.15 -0.19 0.00 -1.00 0.00 0.00 59.36 58.42 3gn1 h GLU 122 Cb 0.34 0.04 0.01 0.00 0.50 0.00 0.00 28.75 29.65 3gn1 h GLU 122 CO -0.24 0.93 -0.72 -0.07 -1.00 0.00 0.00 179.01 177.91 3gn1 h LEU 123 N -0.61 0.65 0.18 1.33 3.38 -1.01 -2.27 115.31 116.96 3gn1 h LEU 123 Ca -0.03 -0.75 -0.30 0.00 0.09 0.00 0.00 57.88 56.89 3gn1 h LEU 123 Cb 1.00 -0.20 0.02 0.00 0.09 0.00 0.00 40.66 41.57 3gn1 h LEU 123 CO 0.04 1.31 -1.35 0.40 0.09 0.00 0.00 178.44 178.93 3gn1 h ILE 124 N 0.06 1.40 0.61 1.22 1.08 -0.97 -3.03 117.51 117.88 3gn1 h ILE 124 Ca -0.09 -2.91 -0.03 0.00 -0.39 0.00 0.00 64.86 61.44 3gn1 h ILE 124 Cb 1.41 2.99 0.00 0.00 -3.07 0.00 0.00 36.82 38.15 3gn1 h ILE 124 CO 0.14 0.86 -0.30 1.23 -0.69 0.00 0.00 178.15 179.39 3gn1 h GLY 125 N 0.99 -0.87 0.92 5.37 0.00 -1.28 -0.49 103.07 107.71 3gn1 h GLY 125 Ca -0.19 0.33 -0.03 0.00 0.00 0.00 0.00 47.33 47.43 3gn1 h GLY 125 CO 0.23 -0.32 0.09 -0.91 0.00 0.00 0.00 176.54 175.63 3gn1 h THR 126 N -0.83 1.22 0.00 4.70 1.35 -1.27 0.66 112.91 118.75 3gn1 h THR 126 Ca -0.08 -0.75 -0.01 0.00 -0.55 0.00 0.00 66.41 65.01 3gn1 h THR 126 Cb 0.64 1.05 -0.00 0.00 -1.73 0.00 0.00 68.15 68.11 3gn1 h THR 126 CO 0.13 0.26 -0.08 0.78 -0.25 0.00 0.00 175.52 176.36 3gn1 h ASN 127 N 0.41 0.00 0.00 5.36 2.35 -1.60 -3.40 115.58 118.71 3gn1 h ASN 127 Ca 0.11 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.86 3gn1 h ASN 127 Cb 0.30 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.67 3gn1 h ASN 127 CO 0.00 0.05 -0.14 0.00 -1.65 0.00 0.00 177.43 175.69 3gn1 n ALA 128 N -2.11 3.00 0.01 -0.83 0.00 -0.32 -4.39 120.51 115.86 3gn1 n ALA 128 Ca 0.04 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.30 3gn1 n ALA 128 Cb 0.55 0.08 -0.11 0.00 0.00 0.00 0.00 19.45 19.97 3gn1 n ALA 128 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 3gn1 h ILE 129 N 0.00 1.40 -0.17 0.00 1.08 -0.19 -2.45 117.51 117.18 3gn1 h ILE 129 Ca 0.00 -2.12 0.00 0.00 -0.39 0.00 0.00 64.86 62.36 3gn1 h ILE 129 Cb 0.14 2.57 -0.01 0.00 -3.07 0.00 0.00 36.82 36.45 3gn1 h ILE 129 CO 0.00 0.62 0.11 0.00 -0.69 0.00 0.00 178.15 178.19 3gn1 h ALA 130 N 0.33 0.21 -0.91 1.87 0.00 0.04 -0.41 119.26 120.38 3gn1 h ALA 130 Ca -0.09 -0.01 0.16 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 130 Cb 1.39 -0.06 -0.10 0.00 0.00 0.00 0.00 17.79 19.02 3gn1 h ALA 130 CO 0.13 -0.31 0.51 -1.35 0.00 0.00 0.00 179.25 178.23 3gn1 h PRO 131 N 0.22 0.67 -0.05 0.00 0.11 -1.76 0.11 132.00 131.29 3gn1 h PRO 131 Ca 0.06 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.13 3gn1 h PRO 131 Cb -0.02 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 30.94 3gn1 h PRO 131 CO -0.02 0.44 0.03 0.35 -0.21 0.00 0.00 178.00 178.59 3gn1 h PHE 132 N 0.69 0.06 -0.45 0.65 3.57 -0.89 -0.90 116.94 119.66 3gn1 h PHE 132 Ca 0.51 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.87 3gn1 h PHE 132 Cb 0.74 -0.02 -0.01 0.00 2.79 0.00 0.00 35.95 39.45 3gn1 h PHE 132 CO -0.06 0.04 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.73 3gn1 h LEU 133 N 0.07 1.01 -0.92 0.59 3.38 -0.76 -1.12 115.31 117.56 3gn1 h LEU 133 Ca 0.02 -0.40 -0.04 0.00 0.09 0.00 0.00 57.88 57.54 3gn1 h LEU 133 Cb -0.01 -0.28 -0.03 0.00 0.09 0.00 0.00 40.66 40.43 3gn1 h LEU 133 CO -0.00 1.20 0.26 -0.07 0.09 0.00 0.00 178.44 179.92 3gn1 h LEU 134 N 0.82 0.97 -0.44 1.67 3.38 -0.79 -0.97 115.31 119.96 3gn1 h LEU 134 Ca 0.10 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.92 3gn1 h LEU 134 Cb 0.84 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 41.32 3gn1 h LEU 134 CO 0.07 0.88 0.29 0.74 0.09 0.00 0.00 178.44 180.51 3gn1 h THR 135 N 1.03 1.11 0.23 0.22 2.02 -0.94 0.38 112.91 116.96 3gn1 h THR 135 Ca 0.24 -0.21 -0.00 0.00 0.77 0.00 0.00 66.41 67.21 3gn1 h THR 135 Cb 0.22 0.47 -0.01 0.00 -1.74 0.00 0.00 68.15 67.09 3gn1 h THR 135 CO -0.02 0.11 -0.17 0.24 0.37 0.00 0.00 175.52 176.05 3gn1 h MET 136 N 0.59 -0.39 -0.44 6.66 2.86 -0.91 -1.15 114.93 122.15 3gn1 h MET 136 Ca 0.16 0.03 -0.01 0.00 -2.06 0.00 0.00 59.70 57.81 3gn1 h MET 136 Cb -0.07 0.09 -0.02 0.00 0.06 0.00 0.00 31.60 31.66 3gn1 h MET 136 CO -0.03 -0.26 0.22 0.77 1.06 0.00 0.00 176.91 178.66 3gn1 h SER 137 N -0.41 0.57 -0.34 1.22 0.02 -1.06 0.35 113.55 113.91 3gn1 h SER 137 Ca -0.01 -0.12 0.04 0.00 -0.84 0.00 0.00 61.79 60.86 3gn1 h SER 137 Cb 0.36 -0.15 -0.04 0.00 0.14 0.00 0.00 62.40 62.71 3gn1 h SER 137 CO -0.00 0.53 0.10 0.15 -1.14 0.00 0.00 176.83 176.47 3gn1 h PHE 138 N 0.57 0.17 -0.08 3.45 3.57 -0.20 -1.87 116.94 122.57 3gn1 h PHE 138 Ca 0.15 0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.52 3gn1 h PHE 138 Cb 0.11 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 38.81 3gn1 h PHE 138 CO -0.01 0.06 -0.61 0.00 -2.23 0.00 0.00 178.31 175.52 3gn1 h ALA 139 N 1.23 0.83 -0.23 2.41 0.00 -0.92 -3.14 119.26 119.44 3gn1 h ALA 139 Ca 0.16 -0.54 -0.11 0.00 0.00 0.00 0.00 54.91 54.41 3gn1 h ALA 139 Cb 0.15 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gn1 h ALA 139 CO -0.18 0.73 -0.33 0.37 0.00 0.00 0.00 179.25 179.84 3gn1 h GLN 140 N 0.20 0.48 0.00 0.00 5.75 -0.03 -2.74 115.11 118.77 3gn1 h GLN 140 Ca -0.01 -0.21 0.00 0.00 -0.15 0.00 0.00 58.65 58.28 3gn1 h GLN 140 Cb 1.12 -0.01 0.00 0.00 1.07 0.00 0.00 27.48 29.65 3gn1 h GLN 140 CO 0.10 0.75 0.00 0.54 -2.65 0.00 0.00 178.83 177.57 3gn1 n ARG 141 N -4.07 0.20 -2.09 1.69 5.12 -0.73 -5.08 116.66 111.70 3gn1 n ARG 141 Ca -0.01 0.25 -0.28 0.00 -1.93 0.00 0.00 57.85 55.88 3gn1 n ARG 141 Cb 0.46 -1.77 0.17 0.00 -1.16 0.00 0.00 32.46 30.15 3gn1 n ARG 141 CO 0.00 0.00 0.00 -0.65 -1.93 0.00 0.00 177.63 175.05 3gn1 s GLN 142 N -3.15 0.88 0.00 5.56 -1.52 -1.04 -5.06 119.66 115.33 3gn1 s GLN 142 Ca 0.09 -0.59 0.00 0.00 -1.95 0.00 0.00 55.36 52.91 3gn1 s GLN 142 Cb 0.12 -1.96 0.00 0.00 -0.22 0.00 0.00 33.01 30.95 3gn1 s GLN 142 CO 0.51 -2.19 0.00 -1.13 -0.25 0.00 0.00 175.29 172.23 3gn1 n SER 152 N -3.55 0.00 -3.43 5.90 3.41 -1.26 -5.11 113.62 109.58 3gn1 n SER 152 Ca 0.15 0.00 -0.27 0.00 -0.26 0.00 0.00 58.87 58.49 3gn1 n SER 152 Cb 0.60 0.00 -0.10 0.00 -0.26 0.00 0.00 64.21 64.44 3gn1 n SER 152 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 3gn1 s ASN 153 N 0.00 1.73 -0.10 4.04 2.47 -1.26 -5.11 114.94 116.71 3gn1 s ASN 153 Ca 0.00 -3.05 -0.19 0.00 0.42 0.00 0.00 52.86 50.04 3gn1 s ASN 153 Cb 0.00 -0.50 -0.04 0.00 -1.45 0.00 0.00 41.25 39.25 3gn1 s ASN 153 CO 0.00 -0.18 0.51 -0.76 -3.72 0.00 0.00 177.10 172.96 3gn1 s LEU 154 N 0.05 4.30 0.12 3.21 1.43 -1.26 -4.80 118.68 121.72 3gn1 s LEU 154 Ca 0.31 0.89 -0.17 0.00 -1.03 0.00 0.00 54.13 54.13 3gn1 s LEU 154 Cb 0.01 -2.76 0.04 0.00 0.03 0.00 0.00 46.19 43.52 3gn1 s LEU 154 CO -0.18 0.00 0.43 -0.94 0.23 0.00 0.00 176.35 175.89 3gn1 s SER 155 N 0.53 -0.29 -0.06 2.29 1.04 -0.83 -1.72 113.70 114.66 3gn1 s SER 155 Ca 0.28 -0.22 0.05 0.00 0.48 0.00 0.00 55.95 56.54 3gn1 s SER 155 Cb -0.16 0.48 -0.02 0.00 0.10 0.00 0.00 66.02 66.43 3gn1 s SER 155 CO 0.12 -0.84 -0.21 -0.63 0.98 0.00 0.00 173.24 172.66 3gn1 s ILE 156 N -3.57 2.42 -0.15 -1.02 1.01 0.75 -1.82 121.20 118.82 3gn1 s ILE 156 Ca 0.01 -0.94 0.02 0.00 0.00 0.00 0.00 60.65 59.74 3gn1 s ILE 156 Cb 0.01 -1.91 0.02 0.00 0.01 0.00 0.00 42.46 40.59 3gn1 s ILE 156 CO -0.10 0.57 -0.19 -0.69 0.00 0.00 0.00 174.94 174.52 3gn1 s VAL 157 N -0.29 1.93 -0.15 2.92 1.01 -0.12 -1.06 120.40 124.64 3gn1 s VAL 157 Ca 0.01 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 60.98 3gn1 s VAL 157 Cb -0.13 -1.74 -0.05 0.00 0.00 0.00 0.00 36.38 34.47 3gn1 s VAL 157 CO 0.03 0.52 0.27 0.20 0.00 0.00 0.00 175.10 176.11 3gn1 s ASN 158 N 1.10 6.43 -0.52 3.32 0.01 0.47 -0.79 114.94 124.96 3gn1 s ASN 158 Ca -0.01 0.50 -0.29 0.00 -0.71 0.00 0.00 52.86 52.35 3gn1 s ASN 158 Cb -0.14 -2.17 0.03 0.00 0.41 0.00 0.00 41.25 39.38 3gn1 s ASN 158 CO -0.07 0.15 1.18 -0.76 -1.51 0.00 0.00 177.10 176.09 3gn1 s LEU 159 N 0.22 3.55 0.00 0.60 2.01 0.27 -1.37 118.68 123.97 3gn1 s LEU 159 Ca 0.16 0.33 0.00 0.00 0.01 0.00 0.00 54.13 54.63 3gn1 s LEU 159 Cb -0.13 -3.39 0.00 0.00 0.01 0.00 0.00 46.19 42.68 3gn1 s LEU 159 CO 0.04 -1.36 0.00 0.00 1.01 0.00 0.00 176.35 176.03 3gn1 s ASP 161 N -0.85 -0.05 0.29 0.00 -1.08 -1.26 -4.27 116.67 109.45 3gn1 s ASP 161 Ca 0.00 0.81 0.22 0.00 -0.52 0.00 0.00 52.55 53.06 3gn1 s ASP 161 Cb 0.00 1.17 1.08 0.00 -1.46 0.00 0.00 42.92 43.71 3gn1 s ASP 161 CO 0.00 -0.24 1.68 0.00 0.52 0.00 0.00 175.17 177.13 3gn1 n ALA 162 N 5.38 1.32 -0.34 3.66 0.00 -0.45 -2.25 120.51 127.83 3gn1 n ALA 162 Ca -0.07 0.15 0.08 0.00 0.00 0.00 0.00 53.44 53.60 3gn1 n ALA 162 Cb 0.50 -1.35 0.32 0.00 0.00 0.00 0.00 19.45 18.92 3gn1 n ALA 162 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.50 176.17 3gn1 n MET 163 N -2.25 3.40 0.10 0.00 2.81 -1.26 -4.57 117.12 115.35 3gn1 n MET 163 Ca 0.00 -2.54 0.17 0.00 -1.81 0.00 0.00 57.70 53.52 3gn1 n MET 163 Cb 0.12 -1.82 0.71 0.00 -0.71 0.00 0.00 33.22 31.52 3gn1 n MET 163 CO 0.00 0.00 0.00 -0.39 1.51 0.00 0.00 175.97 177.09 3gn1 h VAL 164 N 3.66 0.74 -0.02 2.03 -1.51 -1.86 0.13 116.25 119.43 3gn1 h VAL 164 Ca 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.47 3gn1 h VAL 164 Cb 1.30 0.81 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 3gn1 h VAL 164 CO 0.20 0.00 -0.11 0.47 -1.23 0.00 0.00 177.57 176.90 3gn1 n ASP 165 N -4.29 2.07 -3.19 4.19 8.00 -1.26 -4.29 116.55 117.78 3gn1 n ASP 165 Ca 0.05 -1.60 -0.21 0.00 0.71 0.00 0.00 54.79 53.73 3gn1 n ASP 165 Cb 0.43 0.09 -0.05 0.00 -0.02 0.00 0.00 41.12 41.58 3gn1 n ASP 165 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3gn1 n GLN 166 N 0.46 1.09 0.00 -1.24 6.02 0.02 -5.27 117.38 118.47 3gn1 n GLN 166 Ca 0.15 -3.48 0.00 0.00 -0.01 0.00 0.00 57.00 53.66 3gn1 n GLN 166 Cb 0.46 -1.57 0.00 0.00 1.02 0.00 0.00 30.24 30.15 3gn1 n GLN 166 CO 0.00 0.00 0.00 -0.35 -1.01 0.00 0.00 177.06 175.70 3gn1 n PRO 167 N 0.73 0.00 -4.43 -1.09 -0.04 -1.13 -4.89 135.00 124.16 3gn1 n PRO 167 Ca 0.24 0.00 -0.34 0.00 -0.04 0.00 0.00 63.50 63.36 3gn1 n PRO 167 Cb 0.58 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.91 3gn1 n PRO 167 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3gn1 s MET 169 N 0.00 3.59 -0.64 0.54 1.75 -1.26 -5.02 119.30 118.27 3gn1 s MET 169 Ca 0.00 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 53.88 3gn1 s MET 169 Cb 0.00 -2.87 0.00 0.00 2.84 0.00 0.00 34.83 34.80 3gn1 s MET 169 CO 0.00 0.20 0.00 0.00 -0.65 0.00 0.00 175.02 174.57 3gn1 n ALA 170 N 3.65 -0.13 -1.51 4.11 0.00 -1.26 -4.95 120.51 120.42 3gn1 n ALA 170 Ca -0.18 0.09 -0.19 0.00 0.00 0.00 0.00 53.44 53.16 3gn1 n ALA 170 Cb 0.52 -0.99 0.13 0.00 0.00 0.00 0.00 19.45 19.11 3gn1 n ALA 170 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 3gn1 n PHE 171 N -3.20 2.27 -0.05 0.00 3.01 -1.26 0.24 117.46 118.47 3gn1 n PHE 171 Ca -0.07 -2.12 -0.12 0.00 1.01 0.00 0.00 57.45 56.15 3gn1 n PHE 171 Cb 0.32 -0.77 -0.06 0.00 -0.01 0.00 0.00 39.48 38.96 3gn1 n PHE 171 CO 0.00 0.00 0.00 0.77 1.01 0.00 0.00 176.76 178.54 3gn1 h SER 172 N 1.48 -1.40 -0.55 4.37 0.02 -1.93 0.19 113.55 115.73 3gn1 h SER 172 Ca 0.42 0.19 0.03 0.00 -0.84 0.00 0.00 61.79 61.59 3gn1 h SER 172 Cb 1.64 0.58 -0.04 0.00 0.14 0.00 0.00 62.40 64.72 3gn1 h SER 172 CO 0.88 -0.41 0.32 -0.07 -1.14 0.00 0.00 176.83 176.41 3gn1 h LEU 173 N -0.44 0.52 -0.30 5.07 3.38 -1.90 0.22 115.31 121.86 3gn1 h LEU 173 Ca 0.09 0.01 0.04 0.00 0.09 0.00 0.00 57.88 58.11 3gn1 h LEU 173 Cb 0.61 -0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.22 3gn1 h LEU 173 CO -0.47 0.37 0.06 0.22 0.09 0.00 0.00 178.44 178.71 3gn1 h TYR 174 N 0.64 0.09 -0.30 1.13 3.20 -1.75 -0.59 116.97 119.40 3gn1 h TYR 174 Ca 0.22 0.02 -0.12 0.00 3.14 0.00 0.00 58.73 61.99 3gn1 h TYR 174 Cb 0.03 0.00 -0.01 0.00 1.54 0.00 0.00 36.73 38.29 3gn1 h TYR 174 CO -0.06 0.02 -0.30 -0.97 -1.64 0.00 0.00 178.16 175.20 3gn1 h ASN 175 N 0.17 0.64 -0.65 -2.11 -1.24 -0.21 -1.56 115.58 110.61 3gn1 h ASN 175 Ca 0.14 -0.25 -0.01 0.00 0.71 0.00 0.00 56.30 56.89 3gn1 h ASN 175 Cb 0.15 -0.18 -0.03 0.00 0.73 0.00 0.00 38.32 38.99 3gn1 h ASN 175 CO -0.19 0.91 0.35 0.24 -1.29 0.00 0.00 177.43 177.45 3gn1 h MET 176 N 0.53 0.92 -0.12 6.67 2.86 -0.42 -0.26 114.93 125.11 3gn1 h MET 176 Ca 0.06 -0.11 0.04 0.00 -2.06 0.00 0.00 59.70 57.63 3gn1 h MET 176 Cb 0.79 -0.18 -0.04 0.00 0.06 0.00 0.00 31.60 32.23 3gn1 h MET 176 CO 0.06 0.70 -0.10 0.78 1.06 0.00 0.00 176.91 179.41 3gn1 h GLY 177 N 0.89 -0.01 1.11 8.32 0.00 -0.60 -0.94 103.07 111.85 3gn1 h GLY 177 Ca 0.23 0.13 -0.10 0.00 0.00 0.00 0.00 47.33 47.58 3gn1 h GLY 177 CO -0.04 -0.11 -0.04 0.50 0.00 0.00 0.00 176.54 176.85 3gn1 h LYS 178 N -0.12 1.05 -0.69 4.80 1.79 -1.15 -1.02 116.57 121.23 3gn1 h LYS 178 Ca 0.08 -0.35 0.06 0.00 -2.18 0.00 0.00 60.65 58.26 3gn1 h LYS 178 Cb 0.24 -0.09 -0.06 0.00 -1.58 0.00 0.00 32.23 30.74 3gn1 h LYS 178 CO -0.20 1.05 0.38 0.45 -1.08 0.00 0.00 179.45 180.06 3gn1 h HIS 179 N 0.95 0.70 -0.61 -1.35 3.86 -0.90 -2.12 115.15 115.68 3gn1 h HIS 179 Ca 0.16 0.03 -0.05 0.00 -1.16 0.00 0.00 60.37 59.34 3gn1 h HIS 179 Cb 0.61 -0.21 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 3gn1 h HIS 179 CO 0.04 0.33 0.17 0.00 0.86 0.00 0.00 177.93 179.33 3gn1 h ALA 180 N 1.37 1.16 -0.92 2.45 0.00 -0.90 -2.21 119.26 120.19 3gn1 h ALA 180 Ca 0.32 -0.21 0.05 0.00 0.00 0.00 0.00 54.91 55.07 3gn1 h ALA 180 Cb 0.22 -0.24 -0.06 0.00 0.00 0.00 0.00 17.79 17.71 3gn1 h ALA 180 CO -0.20 0.58 0.60 1.25 0.00 0.00 0.00 179.25 181.49 3gn1 h LEU 181 N 0.90 0.97 0.05 0.00 5.85 -0.62 0.23 115.31 122.69 3gn1 h LEU 181 Ca 0.20 -0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.92 3gn1 h LEU 181 Cb 0.28 -0.21 0.00 0.00 0.37 0.00 0.00 40.66 41.10 3gn1 h LEU 181 CO -0.01 0.64 -0.03 0.58 -0.34 0.00 0.00 178.44 179.29 3gn1 h VAL 182 N 1.11 1.03 -0.54 1.05 2.07 -1.00 0.34 116.25 120.30 3gn1 h VAL 182 Ca 0.38 -0.27 0.11 0.00 0.82 0.00 0.00 66.70 67.74 3gn1 h VAL 182 Cb 0.11 1.21 -0.11 0.00 -1.52 0.00 0.00 31.29 30.98 3gn1 h VAL 182 CO -0.13 0.07 -0.17 1.23 0.02 0.00 0.00 177.57 178.59 3gn1 h GLY 183 N -0.19 0.32 0.98 2.17 0.00 -0.93 -1.25 103.07 104.17 3gn1 h GLY 183 Ca -0.01 0.22 0.00 0.00 0.00 0.00 0.00 47.33 47.54 3gn1 h GLY 183 CO 0.01 -0.22 0.18 -2.00 0.00 0.00 0.00 176.54 174.51 3gn1 h LEU 184 N -0.03 0.33 -0.49 3.11 5.85 -0.45 -0.95 115.31 122.68 3gn1 h LEU 184 Ca 0.26 -0.04 0.10 0.00 0.84 0.00 0.00 57.88 59.04 3gn1 h LEU 184 Cb 0.43 -0.08 -0.10 0.00 0.37 0.00 0.00 40.66 41.28 3gn1 h LEU 184 CO -0.58 0.27 -0.20 0.74 -0.34 0.00 0.00 178.44 178.34 3gn1 h THR 185 N 0.36 0.39 -0.29 1.05 2.02 -0.20 0.23 112.91 116.47 3gn1 h THR 185 Ca 0.10 0.00 -0.11 0.00 0.77 0.00 0.00 66.41 67.17 3gn1 h THR 185 Cb -0.01 0.39 -0.01 0.00 -1.74 0.00 0.00 68.15 66.78 3gn1 h THR 185 CO -0.02 0.00 -0.24 1.56 0.37 0.00 0.00 175.52 177.19 3gn1 h GLN 186 N -0.09 0.68 -0.12 6.66 4.20 -1.17 -0.66 115.11 124.61 3gn1 h GLN 186 Ca 0.23 -0.34 -0.00 0.00 0.06 0.00 0.00 58.65 58.60 3gn1 h GLN 186 Cb 0.44 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 3gn1 h GLN 186 CO -0.55 0.95 0.07 0.77 -0.67 0.00 0.00 178.83 179.39 3gn1 h SER 187 N 0.42 0.16 -0.07 1.46 0.02 -0.94 -2.28 113.55 112.32 3gn1 h SER 187 Ca 0.05 -0.09 -0.12 0.00 -0.84 0.00 0.00 61.79 60.78 3gn1 h SER 187 Cb 0.80 -0.04 -0.01 0.00 0.14 0.00 0.00 62.40 63.29 3gn1 h SER 187 CO 0.06 0.21 -0.36 0.00 -1.14 0.00 0.00 176.83 175.60 3gn1 h ALA 188 N 0.96 0.89 -0.47 3.77 0.00 -0.57 -2.16 119.26 121.68 3gn1 h ALA 188 Ca 0.04 -0.42 0.05 0.00 0.00 0.00 0.00 54.91 54.59 3gn1 h ALA 188 Cb 0.09 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.71 3gn1 h ALA 188 CO -0.01 0.63 0.21 0.00 0.00 0.00 0.00 179.25 180.08 3gn1 h ALA 189 N 1.13 0.59 -0.16 0.00 0.00 -1.04 -0.53 119.26 119.25 3gn1 h ALA 189 Ca 0.05 0.04 -0.02 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 189 Cb 0.85 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.61 3gn1 h ALA 189 CO 0.07 -0.17 0.01 1.25 0.00 0.00 0.00 179.25 180.41 3gn1 h LEU 190 N 0.41 0.27 -0.26 0.00 5.85 -1.26 -2.53 115.31 117.78 3gn1 h LEU 190 Ca 0.22 -0.29 -0.13 0.00 0.84 0.00 0.00 57.88 58.51 3gn1 h LEU 190 Cb 0.17 -0.07 -0.02 0.00 0.37 0.00 0.00 40.66 41.11 3gn1 h LEU 190 CO -0.18 0.50 -0.62 -0.08 -0.34 0.00 0.00 178.44 177.72 3gn1 h GLU 191 N 0.03 0.00 -0.01 1.25 4.81 -1.28 -3.26 114.58 116.12 3gn1 h GLU 191 Ca 0.05 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.28 3gn1 h GLU 191 Cb 0.35 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.73 3gn1 h GLU 191 CO 0.01 0.62 -0.70 1.28 -0.73 0.00 0.00 179.01 179.48 3gn1 n LEU 192 N -3.37 1.35 -0.27 1.64 4.77 -0.22 -4.34 117.00 116.56 3gn1 n LEU 192 Ca 0.01 -0.54 0.07 0.00 -0.03 0.00 0.00 56.01 55.52 3gn1 n LEU 192 Cb 0.73 -0.03 0.21 0.00 -2.33 0.00 0.00 43.42 42.00 3gn1 n LEU 192 CO 0.42 0.28 1.03 0.00 -1.33 0.00 0.00 177.39 177.79 3gn1 h ALA 193 N 3.39 1.15 -0.22 -1.18 0.00 -1.49 0.11 119.26 121.01 3gn1 h ALA 193 Ca 0.00 0.12 0.06 0.00 0.00 0.00 0.00 54.91 55.09 3gn1 h ALA 193 Cb 0.60 0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.46 3gn1 h ALA 193 CO 0.00 -0.21 0.33 -1.35 0.00 0.00 0.00 179.25 178.02 3gn1 h PRO 194 N 0.47 0.00 -0.01 0.00 0.11 -1.80 -1.40 132.00 129.37 3gn1 h PRO 194 Ca 0.44 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.55 3gn1 h PRO 194 Cb 0.69 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.80 3gn1 h PRO 194 CO -0.42 0.00 -0.42 0.66 -0.21 0.00 0.00 178.00 177.61 3gn1 n TYR 195 N -3.47 0.00 -0.99 0.65 4.02 0.34 -4.95 117.16 112.75 3gn1 n TYR 195 Ca 0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.90 57.92 3gn1 n TYR 195 Cb 0.45 -0.03 0.00 0.00 -0.02 0.00 0.00 39.34 39.75 3gn1 n TYR 195 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3gn1 n GLY 196 N 1.40 0.46 3.61 2.72 0.00 -0.53 -5.02 105.19 107.84 3gn1 n GLY 196 Ca 0.10 -0.39 -0.40 0.00 0.00 0.00 0.00 46.02 45.32 3gn1 n GLY 196 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3gn1 s ILE 197 N -2.00 5.06 0.14 -0.61 1.01 -1.14 -4.11 121.20 119.55 3gn1 s ILE 197 Ca 0.00 0.79 -0.16 0.00 0.00 0.00 0.00 60.65 61.28 3gn1 s ILE 197 Cb 0.00 -3.85 -0.07 0.00 0.01 0.00 0.00 42.46 38.55 3gn1 s ILE 197 CO 0.00 0.03 0.57 -0.13 0.00 0.00 0.00 174.94 175.42 3gn1 s ARG 198 N 2.33 4.06 -0.10 2.79 0.52 -0.70 -3.80 118.95 124.04 3gn1 s ARG 198 Ca 0.21 0.59 -0.01 0.00 -0.52 0.00 0.00 55.73 56.00 3gn1 s ARG 198 Cb -0.16 -2.99 0.03 0.00 0.52 0.00 0.00 34.95 32.35 3gn1 s ARG 198 CO 0.10 0.50 -0.04 0.08 0.02 0.00 0.00 175.30 175.96 3gn1 s VAL 199 N -1.40 0.77 0.32 3.52 1.01 -1.26 -0.17 120.40 123.18 3gn1 s VAL 199 Ca 0.37 -0.15 0.05 0.00 0.00 0.00 0.00 61.98 62.25 3gn1 s VAL 199 Cb -0.16 -0.86 -0.03 0.00 0.00 0.00 0.00 36.38 35.33 3gn1 s VAL 199 CO 0.19 0.30 0.22 0.20 0.00 0.00 0.00 175.10 176.02 3gn1 s ASN 200 N 1.81 1.63 0.08 3.32 0.01 -0.22 0.52 114.94 122.09 3gn1 s ASN 200 Ca 0.05 -1.68 0.01 0.00 -0.71 0.00 0.00 52.86 50.53 3gn1 s ASN 200 Cb -0.13 0.51 -0.04 0.00 0.41 0.00 0.00 41.25 42.00 3gn1 s ASN 200 CO -0.07 -1.00 -0.06 -0.83 -1.51 0.00 0.00 177.10 173.63 3gn1 s GLY 201 N -3.38 0.68 -0.07 0.66 0.00 -0.13 -0.39 107.32 104.68 3gn1 s GLY 201 Ca 0.38 -1.26 0.03 0.00 0.00 0.00 0.00 44.72 43.87 3gn1 s GLY 201 CO 0.23 -1.36 -0.17 0.14 0.00 0.00 0.00 173.10 171.94 3gn1 s VAL 202 N -3.44 1.50 -0.41 1.40 1.01 -0.47 -1.33 120.40 118.66 3gn1 s VAL 202 Ca 0.08 -0.71 0.03 0.00 0.00 0.00 0.00 61.98 61.38 3gn1 s VAL 202 Cb 0.04 -1.32 0.11 0.00 0.00 0.00 0.00 36.38 35.21 3gn1 s VAL 202 CO -0.05 0.44 0.14 0.00 0.00 0.00 0.00 175.10 175.62 3gn1 s ALA 203 N 0.41 3.07 0.53 5.51 0.00 0.29 0.18 121.76 131.74 3gn1 s ALA 203 Ca -0.13 -2.74 -0.21 0.00 0.00 0.00 0.00 51.96 48.88 3gn1 s ALA 203 Cb -0.15 -2.12 -0.06 0.00 0.00 0.00 0.00 23.12 20.79 3gn1 s ALA 203 CO 0.05 -1.80 1.17 -2.14 0.00 0.00 0.00 175.76 173.04 3gn1 s PRO 204 N 0.62 3.39 0.00 0.00 0.02 -1.26 -0.50 135.00 137.27 3gn1 s PRO 204 Ca 0.12 1.75 0.00 0.00 0.02 0.00 0.00 61.00 62.89 3gn1 s PRO 204 Cb -0.21 -2.14 0.00 0.00 0.02 0.00 0.00 34.50 32.17 3gn1 s PRO 204 CO -0.05 -0.85 0.00 0.41 -0.33 0.00 0.00 177.00 176.18 3gn1 n GLY 205 N 0.36 0.82 3.42 0.52 0.00 -1.20 -1.34 105.19 107.78 3gn1 n GLY 205 Ca 0.11 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.77 3gn1 n GLY 205 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3gn1 s VAL 206 N 0.04 4.08 0.00 1.61 1.01 -1.26 -4.86 120.40 121.02 3gn1 s VAL 206 Ca 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 61.98 61.73 3gn1 s VAL 206 Cb 0.00 -2.90 0.00 0.00 0.00 0.00 0.00 36.38 33.48 3gn1 s VAL 206 CO 0.00 0.36 0.00 -0.24 0.00 0.00 0.00 175.10 175.22 3gn1 n SER 207 N 4.84 0.00 -4.46 3.32 2.88 -1.26 -1.28 113.62 117.66 3gn1 n SER 207 Ca -0.17 0.00 -0.57 0.00 -1.33 0.00 0.00 58.87 56.81 3gn1 n SER 207 Cb 0.51 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.88 3gn1 n SER 207 CO 0.00 0.00 0.00 0.18 -1.23 0.00 0.00 175.04 173.99 3gn1 n LEU 208 N 0.00 1.64 -4.80 2.46 4.77 -1.16 -4.61 117.00 115.30 3gn1 n LEU 208 Ca 0.00 0.71 -0.33 0.00 -0.03 0.00 0.00 56.01 56.36 3gn1 n LEU 208 Cb 0.00 -1.08 0.00 0.00 -2.33 0.00 0.00 43.42 40.01 3gn1 n LEU 208 CO 0.00 -0.69 0.72 -0.76 -1.33 0.00 0.00 177.39 175.33 3gn1 s LEU 209 N 5.73 3.58 0.16 2.23 1.43 -1.26 -4.94 118.68 125.60 3gn1 s LEU 209 Ca 1.10 1.87 -0.34 0.00 -1.03 0.00 0.00 54.13 55.73 3gn1 s LEU 209 Cb -1.18 -4.54 -0.14 0.00 0.03 0.00 0.00 46.19 40.36 3gn1 s LEU 209 CO 0.61 -1.12 1.53 -2.65 0.23 0.00 0.00 176.35 174.95 3gn1 n PRO 210 N -1.79 2.00 -0.32 1.29 -0.02 -1.26 -4.87 135.00 130.02 3gn1 n PRO 210 Ca 0.09 0.72 0.24 0.00 -2.02 0.00 0.00 63.50 62.53 3gn1 n PRO 210 Cb 0.53 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 32.01 3gn1 n PRO 210 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 3gn1 h VAL 211 N 3.53 0.15 0.00 -1.45 2.07 -2.03 0.16 116.25 118.69 3gn1 h VAL 211 Ca -0.45 -0.05 0.00 0.00 0.82 0.00 0.00 66.70 67.02 3gn1 h VAL 211 Cb 1.27 -0.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.03 3gn1 h VAL 211 CO 0.86 0.03 -0.27 0.00 0.02 0.00 0.00 177.57 178.21 3gn1 h ALA 212 N 1.91 0.82 -2.72 1.67 0.00 -2.04 -3.46 119.26 115.45 3gn1 h ALA 212 Ca 0.73 0.00 -0.52 0.00 0.00 0.00 0.00 54.91 55.12 3gn1 h ALA 212 Cb 1.74 0.00 0.05 0.00 0.00 0.00 0.00 17.79 19.58 3gn1 h ALA 212 CO -0.72 0.00 0.72 1.41 0.00 0.00 0.00 179.25 180.66 3gn1 s MET 213 N -3.14 4.31 0.75 0.00 0.00 0.57 -5.00 119.30 116.79 3gn1 s MET 213 Ca 0.08 2.21 -0.11 0.00 0.00 0.00 0.00 55.69 57.88 3gn1 s MET 213 Cb 0.12 -3.14 0.04 0.00 0.00 0.00 0.00 34.83 31.86 3gn1 s MET 213 CO 0.65 -0.36 1.08 0.20 0.00 0.00 0.00 175.02 176.60 3gn1 s GLY 214 N 0.35 1.67 0.31 2.11 0.00 -1.26 -4.86 107.32 105.62 3gn1 s GLY 214 Ca 0.58 0.16 0.03 0.00 0.00 0.00 0.00 44.72 45.50 3gn1 s GLY 214 CO 0.41 0.50 1.78 0.83 0.00 0.00 0.00 173.10 176.63 3gn1 h GLU 215 N -1.00 0.48 -0.25 2.90 4.39 -1.98 -1.68 114.58 117.45 3gn1 h GLU 215 Ca -0.44 -0.15 -0.02 0.00 0.34 0.00 0.00 59.36 59.09 3gn1 h GLU 215 Cb 1.23 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.82 3gn1 h GLU 215 CO 0.54 0.63 0.06 0.93 -1.16 0.00 0.00 179.01 180.01 3gn1 h GLU 216 N 0.44 0.39 -0.73 2.33 4.39 -1.99 -1.70 114.58 117.71 3gn1 h GLU 216 Ca 0.08 -0.09 0.01 0.00 0.34 0.00 0.00 59.36 59.69 3gn1 h GLU 216 Cb 0.54 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 29.10 3gn1 h GLU 216 CO 0.03 0.49 0.48 0.93 -1.16 0.00 0.00 179.01 179.78 3gn1 h GLU 217 N 0.22 0.95 -0.81 2.33 5.08 -1.92 -0.96 114.58 119.47 3gn1 h GLU 217 Ca 0.08 -0.06 0.02 0.00 -1.00 0.00 0.00 59.36 58.40 3gn1 h GLU 217 Cb 0.27 -0.21 -0.04 0.00 0.50 0.00 0.00 28.75 29.26 3gn1 h GLU 217 CO 0.00 0.63 0.53 0.87 -1.00 0.00 0.00 179.01 180.04 3gn1 h LYS 218 N 0.98 1.04 0.00 2.33 1.57 -1.07 -1.72 116.57 119.70 3gn1 h LYS 218 Ca 0.27 -0.06 -0.11 0.00 -1.87 0.00 0.00 60.65 58.87 3gn1 h LYS 218 Cb -0.11 -0.23 -0.02 0.00 0.08 0.00 0.00 32.23 31.95 3gn1 h LYS 218 CO -0.06 0.69 -0.53 -0.44 -0.57 0.00 0.00 179.45 178.53 3gn1 h ASP 219 N 1.07 0.00 -0.23 0.86 3.32 -1.06 -1.17 116.42 119.22 3gn1 h ASP 219 Ca 0.31 0.00 -0.04 0.00 0.02 0.00 0.00 57.03 57.32 3gn1 h ASP 219 Cb -0.07 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 39.47 3gn1 h ASP 219 CO -0.08 0.53 -0.03 0.50 -1.72 0.00 0.00 179.24 178.44 3gn1 h LYS 220 N 0.00 0.42 -0.49 3.56 3.64 -0.71 -1.78 116.57 121.20 3gn1 h LYS 220 Ca -0.01 -0.15 -0.07 0.00 -1.27 0.00 0.00 60.65 59.16 3gn1 h LYS 220 Cb 1.21 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 3gn1 h LYS 220 CO 0.07 0.63 0.05 -1.49 -2.27 0.00 0.00 179.45 176.44 3gn1 h TRP 221 N 0.17 0.90 -0.51 1.91 4.06 -1.16 -3.08 115.95 118.25 3gn1 h TRP 221 Ca 0.06 -0.14 0.04 0.00 2.06 0.00 0.00 58.89 60.92 3gn1 h TRP 221 Cb 0.46 -0.24 -0.04 0.00 -1.00 0.00 0.00 29.16 28.33 3gn1 h TRP 221 CO 0.04 0.84 0.25 0.00 -3.56 0.00 0.00 178.44 176.01 3gn1 h ARG 222 N 0.71 0.48 -0.00 0.49 3.08 -1.23 -2.46 114.38 115.45 3gn1 h ARG 222 Ca 0.15 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.17 3gn1 h ARG 222 Cb 0.44 -0.11 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gn1 h ARG 222 CO 0.02 0.32 0.02 0.00 -1.07 0.00 0.00 179.97 179.26 3gn1 h ARG 223 N 0.50 0.00 0.00 0.04 3.08 -1.23 -2.69 114.38 114.07 3gn1 h ARG 223 Ca 0.22 0.00 -0.02 0.00 0.07 0.00 0.00 59.98 60.26 3gn1 h ARG 223 Cb 0.13 0.00 -0.00 0.00 0.08 0.00 0.00 29.97 30.18 3gn1 h ARG 223 CO -0.16 0.00 -0.19 0.87 -1.07 0.00 0.00 179.97 179.42 3gn1 h LYS 224 N 0.00 0.00 -6.20 0.04 1.57 -1.40 -3.46 116.57 107.12 3gn1 h LYS 224 Ca 0.00 0.00 -0.58 0.00 -1.87 0.00 0.00 60.65 58.20 3gn1 h LYS 224 Cb 0.05 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.29 3gn1 h LYS 224 CO -0.00 0.07 0.78 0.08 -0.57 0.00 0.00 179.45 179.81 3gn1 s VAL 225 N -3.19 4.57 0.19 0.50 1.01 -1.02 -4.80 120.40 117.67 3gn1 s VAL 225 Ca 0.06 1.71 -0.11 0.00 0.00 0.00 0.00 61.98 63.64 3gn1 s VAL 225 Cb 0.06 -4.36 0.11 0.00 0.00 0.00 0.00 36.38 32.19 3gn1 s VAL 225 CO 0.69 -0.40 1.76 -0.65 0.00 0.00 0.00 175.10 176.50 3gn1 h PRO 226 N 7.99 0.42 -5.36 2.72 0.11 -1.84 -2.16 132.00 133.87 3gn1 h PRO 226 Ca -0.21 -0.03 -0.68 0.00 0.11 0.00 0.00 66.00 65.20 3gn1 h PRO 226 Cb 1.06 -0.09 -0.14 0.00 0.11 0.00 0.00 31.00 31.94 3gn1 h PRO 226 CO 1.00 0.28 1.38 -1.17 -0.21 0.00 0.00 178.00 179.28 3gn1 s LEU 227 N -10.35 4.47 0.00 2.35 2.96 -0.50 -4.17 118.68 113.44 3gn1 s LEU 227 Ca -0.13 -2.23 0.00 0.00 -0.22 0.00 0.00 54.13 51.55 3gn1 s LEU 227 Cb 0.16 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.37 3gn1 s LEU 227 CO 0.74 -1.10 0.00 0.61 -1.32 0.00 0.00 176.35 175.28 3gn1 n GLY 228 N 5.44 0.75 3.88 7.98 0.00 -1.26 -4.40 105.19 117.57 3gn1 n GLY 228 Ca 0.34 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 3gn1 n GLY 228 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gn1 n ARG 229 N -2.19 -5.54 -3.66 1.61 3.00 -0.81 -4.94 116.66 104.13 3gn1 n ARG 229 Ca 0.00 0.61 -0.12 0.00 -0.01 0.00 0.00 57.85 58.33 3gn1 n ARG 229 Cb 0.00 -5.46 -0.06 0.00 0.00 0.00 0.00 32.46 26.94 3gn1 n ARG 229 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.63 176.65 3gn1 s ARG 230 N -6.54 0.97 0.77 5.56 1.70 -1.20 -4.34 118.95 115.88 3gn1 s ARG 230 Ca 0.58 -0.48 -0.11 0.00 -0.47 0.00 0.00 55.73 55.25 3gn1 s ARG 230 Cb -0.29 0.43 0.06 0.00 -0.57 0.00 0.00 34.95 34.58 3gn1 s ARG 230 CO 0.83 -0.35 1.08 -1.83 -1.08 0.00 0.00 175.30 173.95 3gn1 s GLU 231 N -2.91 2.25 0.28 3.89 1.03 -1.26 -4.86 118.70 117.11 3gn1 s GLU 231 Ca -0.03 1.01 -0.29 0.00 0.03 0.00 0.00 54.97 55.69 3gn1 s GLU 231 Cb 0.00 -1.91 -0.09 0.00 -0.80 0.00 0.00 34.13 31.33 3gn1 s GLU 231 CO -0.06 -1.60 1.11 0.00 -1.33 0.00 0.00 175.26 173.39 3gn1 s ALA 232 N -2.97 3.41 0.75 -0.84 0.00 -0.41 -4.93 121.76 116.78 3gn1 s ALA 232 Ca 0.61 0.92 -0.14 0.00 0.00 0.00 0.00 51.96 53.35 3gn1 s ALA 232 Cb -0.16 -3.34 0.05 0.00 0.00 0.00 0.00 23.12 19.67 3gn1 s ALA 232 CO 0.56 -0.19 1.16 -1.54 0.00 0.00 0.00 175.76 175.74 3gn1 s SER 233 N -0.80 4.25 0.43 0.00 1.04 -1.26 -2.97 113.70 114.38 3gn1 s SER 233 Ca 0.45 2.17 0.12 0.00 0.48 0.00 0.00 55.95 59.17 3gn1 s SER 233 Cb -0.32 -2.57 0.98 0.00 0.10 0.00 0.00 66.02 64.21 3gn1 s SER 233 CO 0.41 -2.22 2.01 0.00 0.98 0.00 0.00 173.24 174.43 3gn1 h ALA 234 N -0.59 1.92 -0.19 5.32 0.00 -1.95 -2.48 119.26 121.28 3gn1 h ALA 234 Ca -0.46 -0.02 -0.12 0.00 0.00 0.00 0.00 54.91 54.31 3gn1 h ALA 234 Cb 1.27 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 3gn1 h ALA 234 CO 0.50 -0.01 -0.40 0.93 0.00 0.00 0.00 179.25 180.27 3gn1 h GLU 235 N 0.44 0.44 -0.28 0.00 3.07 -1.91 -0.83 114.58 115.50 3gn1 h GLU 235 Ca 0.23 -0.21 -0.13 0.00 -0.50 0.00 0.00 59.36 58.74 3gn1 h GLU 235 Cb 0.32 -0.00 -0.01 0.00 -0.84 0.00 0.00 28.75 28.22 3gn1 h GLU 235 CO -0.06 0.77 -0.35 1.96 -1.40 0.00 0.00 179.01 179.93 3gn1 h GLN 236 N 0.36 0.62 -0.15 2.33 4.20 -1.82 0.11 115.11 120.77 3gn1 h GLN 236 Ca 0.03 -0.29 -0.02 0.00 0.06 0.00 0.00 58.65 58.43 3gn1 h GLN 236 Cb 0.86 -0.01 -0.01 0.00 0.30 0.00 0.00 27.48 28.63 3gn1 h GLN 236 CO 0.07 0.88 0.01 0.82 -0.67 0.00 0.00 178.83 179.95 3gn1 h ILE 237 N 0.52 1.24 -0.95 2.54 1.08 -1.26 -3.18 117.51 117.51 3gn1 h ILE 237 Ca 0.06 -0.77 0.05 0.00 -0.39 0.00 0.00 64.86 63.81 3gn1 h ILE 237 Cb 0.85 1.46 -0.06 0.00 -3.07 0.00 0.00 36.82 35.99 3gn1 h ILE 237 CO 0.07 0.23 0.61 0.00 -0.69 0.00 0.00 178.15 178.37 3gn1 h ALA 238 N 0.79 1.28 -1.03 1.87 0.00 -0.89 -1.42 119.26 119.86 3gn1 h ALA 238 Ca 0.04 -0.03 0.29 0.00 0.00 0.00 0.00 54.91 55.21 3gn1 h ALA 238 Cb 0.34 -0.30 -0.13 0.00 0.00 0.00 0.00 17.79 17.69 3gn1 h ALA 238 CO 0.01 0.43 0.62 -0.44 0.00 0.00 0.00 179.25 179.87 3gn1 h ASP 239 N 1.14 0.56 0.16 0.00 3.32 -0.76 0.04 116.42 120.88 3gn1 h ASP 239 Ca 0.40 0.14 -0.25 0.00 0.02 0.00 0.00 57.03 57.34 3gn1 h ASP 239 Cb 0.09 0.07 0.01 0.00 0.22 0.00 0.00 39.33 39.72 3gn1 h ASP 239 CO -0.15 0.01 -1.02 0.00 -1.72 0.00 0.00 179.24 176.36 3gn1 h ALA 240 N 1.74 0.22 -0.01 3.45 0.00 -1.29 -2.59 119.26 120.77 3gn1 h ALA 240 Ca 0.68 -0.71 0.01 0.00 0.00 0.00 0.00 54.91 54.89 3gn1 h ALA 240 Cb 1.51 0.03 -0.02 0.00 0.00 0.00 0.00 17.79 19.31 3gn1 h ALA 240 CO -0.48 0.75 -0.07 0.28 0.00 0.00 0.00 179.25 179.73 3gn1 h VAL 241 N 0.32 0.82 -0.67 0.00 2.07 -1.09 -2.47 116.25 115.23 3gn1 h VAL 241 Ca -0.11 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.52 3gn1 h VAL 241 Cb 1.67 0.82 -0.08 0.00 -1.52 0.00 0.00 31.29 32.18 3gn1 h VAL 241 CO 0.19 0.00 0.24 0.40 0.02 0.00 0.00 177.57 178.42 3gn1 h ILE 242 N -0.11 0.70 0.13 4.57 1.08 -1.04 -1.93 117.51 120.90 3gn1 h ILE 242 Ca 0.03 -0.14 0.00 0.00 -0.39 0.00 0.00 64.86 64.37 3gn1 h ILE 242 Cb 0.15 0.26 -0.01 0.00 -3.07 0.00 0.00 36.82 34.16 3gn1 h ILE 242 CO -0.08 0.07 -0.12 0.15 -0.69 0.00 0.00 178.15 177.48 3gn1 h PHE 243 N 0.40 -0.31 -0.14 1.37 3.57 -1.42 -2.57 116.94 117.84 3gn1 h PHE 243 Ca 0.35 0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.87 3gn1 h PHE 243 Cb 0.50 0.12 -0.01 0.00 2.79 0.00 0.00 35.95 39.35 3gn1 h PHE 243 CO -0.18 -0.19 0.10 -0.07 -2.23 0.00 0.00 178.31 175.74 3gn1 h LEU 244 N -0.27 0.10 0.00 0.59 3.38 -0.94 -1.91 115.31 116.26 3gn1 h LEU 244 Ca 0.00 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3gn1 h LEU 244 Cb 0.26 -0.02 0.00 0.00 0.09 0.00 0.00 40.66 40.98 3gn1 h LEU 244 CO -0.03 0.07 -0.37 -0.37 0.09 0.00 0.00 178.44 177.84 3gn1 h VAL 245 N 0.12 0.00 -4.35 1.22 -1.51 -1.32 -3.45 116.25 106.97 3gn1 h VAL 245 Ca 0.06 -0.70 -0.50 0.00 -1.23 0.00 0.00 66.70 64.33 3gn1 h VAL 245 Cb 0.09 1.49 0.10 0.00 -2.13 0.00 0.00 31.29 30.83 3gn1 h VAL 245 CO -0.01 0.00 0.37 -0.94 -1.23 0.00 0.00 177.57 175.76 3gn1 s SER 246 N -5.00 5.11 0.45 4.19 1.04 -0.72 -4.93 113.70 113.85 3gn1 s SER 246 Ca 0.06 1.38 0.28 0.00 0.48 0.00 0.00 55.95 58.15 3gn1 s SER 246 Cb 0.10 -2.20 1.51 0.00 0.10 0.00 0.00 66.02 65.53 3gn1 s SER 246 CO 0.69 -1.58 1.84 1.23 0.98 0.00 0.00 173.24 176.39 3gn1 h GLY 247 N -0.82 0.00 1.52 7.32 0.00 -1.91 -1.67 103.07 107.50 3gn1 h GLY 247 Ca -0.45 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.88 3gn1 h GLY 247 CO 0.60 0.00 -0.02 1.44 0.00 0.00 0.00 176.54 178.55 3gn1 n SER 248 N -2.52 0.06 -0.80 0.19 7.64 -1.26 -3.35 113.62 113.59 3gn1 n SER 248 Ca -0.02 -0.14 0.02 0.00 1.01 0.00 0.00 58.87 59.74 3gn1 n SER 248 Cb 0.11 -0.27 0.20 0.00 -1.01 0.00 0.00 64.21 63.25 3gn1 n SER 248 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3gn1 n ALA 249 N -1.27 3.79 0.25 -0.43 0.00 -0.63 -4.87 120.51 117.36 3gn1 n ALA 249 Ca 0.14 -3.15 0.12 0.00 0.00 0.00 0.00 53.44 50.55 3gn1 n ALA 249 Cb 0.26 -0.52 0.65 0.00 0.00 0.00 0.00 19.45 19.83 3gn1 n ALA 249 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3gn1 h GLN 250 N 0.95 0.00 -0.28 0.00 1.08 -1.66 -2.29 115.11 112.91 3gn1 h GLN 250 Ca 0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.29 3gn1 h GLN 250 Cb 1.28 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.71 3gn1 h GLN 250 CO 0.16 0.15 0.00 0.98 -0.95 0.00 0.00 178.83 179.17 3gn1 n TYR 251 N -3.49 0.35 -3.30 2.96 9.36 -1.26 -4.92 117.16 116.86 3gn1 n TYR 251 Ca -0.01 -0.19 -0.41 0.00 3.32 0.00 0.00 57.90 60.61 3gn1 n TYR 251 Cb 0.31 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.93 3gn1 n TYR 251 CO 0.00 0.00 0.00 0.42 0.22 0.00 0.00 176.86 177.50 3gn1 s ILE 252 N -1.53 5.07 -0.02 2.97 1.01 -0.86 -5.05 121.20 122.80 3gn1 s ILE 252 Ca 0.33 0.13 -0.06 0.00 0.00 0.00 0.00 60.65 61.06 3gn1 s ILE 252 Cb 0.21 -3.93 0.01 0.00 0.01 0.00 0.00 42.46 38.75 3gn1 s ILE 252 CO 0.29 -0.22 0.14 0.28 0.00 0.00 0.00 174.94 175.43 3gn1 s THR 253 N 2.24 0.05 0.00 2.92 -1.32 -1.26 -4.68 115.64 113.59 3gn1 s THR 253 Ca 0.15 -0.43 0.00 0.00 -1.21 0.00 0.00 61.69 60.20 3gn1 s THR 253 Cb -0.16 -0.34 0.00 0.00 -1.51 0.00 0.00 72.50 70.49 3gn1 s THR 253 CO 0.13 -0.24 0.00 0.61 -2.21 0.00 0.00 174.62 172.91 3gn1 n GLY 254 N 2.06 0.70 3.86 6.08 0.00 0.18 -4.95 105.19 113.13 3gn1 n GLY 254 Ca -0.19 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.46 3gn1 n GLY 254 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3gn1 s SER 255 N -2.39 6.40 -0.21 1.61 0.01 -1.26 -4.82 113.70 113.05 3gn1 s SER 255 Ca 0.00 0.48 -0.01 0.00 1.31 0.00 0.00 55.95 57.73 3gn1 s SER 255 Cb 0.00 -2.08 0.01 0.00 0.21 0.00 0.00 66.02 64.16 3gn1 s SER 255 CO 0.00 0.38 -0.11 -0.63 0.41 0.00 0.00 173.24 173.29 3gn1 s ILE 256 N -0.90 2.73 -0.29 1.44 1.01 -1.26 -0.96 121.20 122.96 3gn1 s ILE 256 Ca 0.15 -0.81 -0.15 0.00 0.00 0.00 0.00 60.65 59.84 3gn1 s ILE 256 Cb -0.12 -2.25 -0.03 0.00 0.01 0.00 0.00 42.46 40.07 3gn1 s ILE 256 CO 0.04 0.41 0.38 -0.63 0.00 0.00 0.00 174.94 175.14 3gn1 s ILE 257 N 1.36 5.16 0.23 2.92 1.01 -0.44 -4.92 121.20 126.53 3gn1 s ILE 257 Ca 0.04 0.43 -0.30 0.00 0.00 0.00 0.00 60.65 60.82 3gn1 s ILE 257 Cb -0.14 -3.75 -0.09 0.00 0.01 0.00 0.00 42.46 38.49 3gn1 s ILE 257 CO -0.07 0.07 1.26 -0.54 0.00 0.00 0.00 174.94 175.65 3gn1 s LYS 258 N 2.09 4.44 -0.56 2.79 1.02 -1.26 -0.54 119.74 127.71 3gn1 s LYS 258 Ca 0.14 2.01 0.06 0.00 0.02 0.00 0.00 55.97 58.21 3gn1 s LYS 258 Cb -0.16 -3.18 0.21 0.00 -0.52 0.00 0.00 37.83 34.18 3gn1 s LYS 258 CO 0.11 -0.14 0.55 0.28 -0.92 0.00 0.00 175.35 175.23 3gn1 n VAL 259 N 2.07 0.78 -0.50 3.17 0.31 0.34 -4.86 118.33 119.64 3gn1 n VAL 259 Ca 0.04 -4.50 0.00 0.00 -0.01 0.00 0.00 64.34 59.86 3gn1 n VAL 259 Cb 0.43 -2.00 0.00 0.00 -0.91 0.00 0.00 33.84 31.36 3gn1 n VAL 259 CO 0.00 0.00 0.00 -0.90 -1.32 0.00 0.00 176.83 174.61 3gn1 n ASP 260 N 1.65 0.75 -1.94 4.52 5.75 -1.26 -3.20 116.55 122.82 3gn1 n ASP 260 Ca 0.25 -1.25 -0.18 0.00 -0.01 0.00 0.00 54.79 53.60 3gn1 n ASP 260 Cb 0.44 0.00 -0.04 0.00 -1.03 0.00 0.00 41.12 40.48 3gn1 n ASP 260 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3gn1 n GLY 261 N -0.13 0.67 2.04 6.12 0.00 -1.26 -1.54 105.19 111.09 3gn1 n GLY 261 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3gn1 n GLY 261 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3gn1 n GLY 262 N -0.62 0.84 0.26 -0.02 0.00 -1.26 -1.41 105.19 102.97 3gn1 n GLY 262 Ca -0.20 0.00 0.02 0.00 0.00 0.00 0.00 46.02 45.84 3gn1 n GLY 262 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 3gn1 h LEU 263 N 0.00 0.32 -1.22 0.99 5.85 -1.59 0.42 115.31 120.08 3gn1 h LEU 263 Ca 0.00 0.08 0.00 0.00 0.84 0.00 0.00 57.88 58.80 3gn1 h LEU 263 Cb 0.00 0.04 0.00 0.00 0.37 0.00 0.00 40.66 41.07 3gn1 h LEU 263 CO 0.00 0.17 0.00 0.77 -0.34 0.00 0.00 178.44 179.04 3gn1 h SER 264 N 0.48 0.00 0.56 1.25 4.64 -1.87 -2.45 113.55 116.16 3gn1 h SER 264 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3gn1 h SER 264 Cb 0.43 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.52 3gn1 h SER 264 CO -0.32 0.00 -0.28 0.18 -0.87 0.00 0.00 176.83 175.54 3gn1 n LEU 265 N -2.29 0.44 -4.63 5.97 4.77 0.14 -4.88 117.00 116.52 3gn1 n LEU 265 Ca -0.00 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.65 3gn1 n LEU 265 Cb 0.11 -0.28 -0.05 0.00 -2.33 0.00 0.00 43.42 40.87 3gn1 n LEU 265 CO 0.14 0.10 0.54 -0.69 -1.33 0.00 0.00 177.39 176.14 3gn1 s VAL 266 N -2.84 4.87 0.99 4.08 1.01 -0.93 -5.05 120.40 122.53 3gn1 s VAL 266 Ca 0.17 1.27 -0.11 0.00 0.00 0.00 0.00 61.98 63.30 3gn1 s VAL 266 Cb 0.19 -4.06 0.19 0.00 0.00 0.00 0.00 36.38 32.69 3gn1 s VAL 266 CO 0.60 -0.10 1.10 -1.38 0.00 0.00 0.00 175.10 175.31 3gn1 s HIS 267 N 2.76 1.66 -1.15 5.22 -3.43 -1.26 -5.09 115.29 114.00 3gn1 s HIS 267 Ca 0.31 1.51 0.00 0.00 -0.80 0.00 0.00 55.06 56.08 3gn1 s HIS 267 Cb -0.15 -3.22 0.00 0.00 -1.43 0.00 0.00 32.58 27.78 3gn1 s HIS 267 CO 0.10 -3.07 0.29 0.00 -2.00 0.00 0.00 174.74 170.05