#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 3.40 0.83 4.31 0.00 -1.26 -5.06 121.76 123.98 3gn1 s ALA 3 Ca 0.00 0.35 -0.11 0.00 0.00 0.00 0.00 51.96 52.20 3gn1 s ALA 3 Cb 0.00 -2.97 0.09 0.00 0.00 0.00 0.00 23.12 20.24 3gn1 s ALA 3 CO 0.00 0.28 1.09 -1.25 0.00 0.00 0.00 175.76 175.88 3gn1 s PRO 4 N -1.47 1.81 0.06 0.00 0.04 -1.26 -4.78 135.00 129.39 3gn1 s PRO 4 Ca 0.40 0.78 0.09 0.00 0.04 0.00 0.00 61.00 62.31 3gn1 s PRO 4 Cb -0.21 -1.88 -0.03 0.00 0.04 0.00 0.00 34.50 32.42 3gn1 s PRO 4 CO 0.25 -1.85 -0.26 0.00 0.04 0.00 0.00 177.00 175.19 3gn1 s ALA 5 N -3.04 2.19 0.01 8.56 0.00 -1.26 -1.08 121.76 127.14 3gn1 s ALA 5 Ca 0.62 -1.28 0.03 0.00 0.00 0.00 0.00 51.96 51.33 3gn1 s ALA 5 Cb -0.16 -0.43 -0.01 0.00 0.00 0.00 0.00 23.12 22.52 3gn1 s ALA 5 CO 0.56 0.51 -0.09 0.00 0.00 0.00 0.00 175.76 176.73 3gn1 s ALA 6 N -0.86 0.77 -0.20 0.00 0.00 0.12 -1.21 121.76 120.37 3gn1 s ALA 6 Ca 0.11 -0.49 -0.07 0.00 0.00 0.00 0.00 51.96 51.51 3gn1 s ALA 6 Cb -0.10 -0.15 -0.04 0.00 0.00 0.00 0.00 23.12 22.83 3gn1 s ALA 6 CO 0.03 0.16 0.07 0.08 0.00 0.00 0.00 175.76 176.09 3gn1 s VAL 7 N -0.46 4.64 -0.17 0.00 1.01 -0.05 -0.05 120.40 125.33 3gn1 s VAL 7 Ca 0.01 -0.08 0.01 0.00 0.00 0.00 0.00 61.98 61.93 3gn1 s VAL 7 Cb -0.05 -3.12 0.02 0.00 0.00 0.00 0.00 36.38 33.24 3gn1 s VAL 7 CO 0.00 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.63 3gn1 s VAL 8 N 0.77 2.03 0.46 2.92 1.01 -0.89 -0.02 120.40 126.68 3gn1 s VAL 8 Ca 0.03 -0.92 -0.19 0.00 0.00 0.00 0.00 61.98 60.90 3gn1 s VAL 8 Cb -0.13 -1.83 -0.10 0.00 0.00 0.00 0.00 36.38 34.32 3gn1 s VAL 8 CO 0.02 0.54 0.97 0.42 0.00 0.00 0.00 175.10 177.04 3gn1 s THR 9 N 1.26 4.41 -1.44 3.92 -4.23 -0.75 -1.55 115.64 117.26 3gn1 s THR 9 Ca 0.04 1.37 -0.04 0.00 -1.18 0.00 0.00 61.69 61.88 3gn1 s THR 9 Cb -0.13 -3.63 0.03 0.00 1.34 0.00 0.00 72.50 70.11 3gn1 s THR 9 CO -0.12 -0.45 0.58 0.61 -0.54 0.00 0.00 174.62 174.71 3gn1 n GLY 10 N -0.95 -0.29 0.85 3.99 0.00 -1.06 -3.06 105.19 104.66 3gn1 n GLY 10 Ca 0.07 0.15 0.12 0.00 0.00 0.00 0.00 46.02 46.36 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 -4.41 2.48 0.21 4.61 0.00 0.54 -4.20 120.51 119.74 3gn1 n ALA 11 Ca -0.22 -0.70 0.05 0.00 0.00 0.00 0.00 53.44 52.56 3gn1 n ALA 11 Cb 0.64 -0.95 0.47 0.00 0.00 0.00 0.00 19.45 19.61 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 4.44 1.64 -2.94 0.00 0.00 -1.88 -2.74 119.26 117.78 3gn1 h ALA 12 Ca 0.00 -0.19 -0.16 0.00 0.00 0.00 0.00 54.91 54.56 3gn1 h ALA 12 Cb 0.79 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.49 3gn1 h ALA 12 CO 0.00 0.27 -0.03 -1.59 0.00 0.00 0.00 179.25 177.90 3gn1 s LYS 13 N -4.60 1.96 6.72 0.00 -2.85 -1.26 -4.39 119.74 115.33 3gn1 s LYS 13 Ca -0.04 -1.57 0.00 0.00 -1.00 0.00 0.00 55.97 53.36 3gn1 s LYS 13 Cb 0.16 0.51 0.00 0.00 -2.06 0.00 0.00 37.83 36.43 3gn1 s LYS 13 CO 0.70 -0.85 0.00 0.54 0.10 0.00 0.00 175.35 175.84 3gn1 n ARG 14 N -0.53 0.00 -0.10 1.78 1.74 -1.26 -1.99 116.66 116.31 3gn1 n ARG 14 Ca -0.02 0.00 -0.12 0.00 -0.77 0.00 0.00 57.85 56.93 3gn1 n ARG 14 Cb 0.61 0.00 -0.04 0.00 -1.02 0.00 0.00 32.46 32.01 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 1.30 -0.91 0.55 2.04 -1.91 -2.10 117.51 116.49 3gn1 h ILE 15 Ca 0.00 -1.29 0.02 0.00 1.00 0.00 0.00 64.86 64.58 3gn1 h ILE 15 Cb 0.00 1.52 -0.05 0.00 -0.74 0.00 0.00 36.82 37.55 3gn1 h ILE 15 CO 0.00 0.41 0.60 1.23 0.00 0.00 0.00 178.15 180.39 3gn1 h GLY 16 N 0.37 1.29 0.96 5.37 0.00 -1.69 -0.48 103.07 108.88 3gn1 h GLY 16 Ca 0.06 -0.47 -0.00 0.00 0.00 0.00 0.00 47.33 46.92 3gn1 h GLY 16 CO 0.05 0.44 0.15 -0.09 0.00 0.00 0.00 176.54 177.09 3gn1 h ARG 17 N 1.21 0.35 -0.95 4.80 2.43 -1.08 -1.38 114.38 119.76 3gn1 h ARG 17 Ca 0.34 -0.04 0.10 0.00 -0.81 0.00 0.00 59.98 59.58 3gn1 h ARG 17 Cb -0.11 -0.07 -0.07 0.00 -0.42 0.00 0.00 29.97 29.30 3gn1 h ARG 17 CO -0.08 0.29 0.61 0.00 -1.51 0.00 0.00 179.97 179.28 3gn1 h ALA 18 N 1.04 1.57 -0.12 2.80 0.00 -0.63 -0.23 119.26 123.70 3gn1 h ALA 18 Ca 0.09 0.00 -0.03 0.00 0.00 0.00 0.00 54.91 54.98 3gn1 h ALA 18 Cb 0.04 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.60 3gn1 h ALA 18 CO -0.02 0.23 -0.04 0.82 0.00 0.00 0.00 179.25 180.24 3gn1 h ILE 19 N 0.96 1.30 -0.20 0.00 2.04 -0.97 -1.69 117.51 118.95 3gn1 h ILE 19 Ca 0.45 -1.00 -0.09 0.00 1.00 0.00 0.00 64.86 65.22 3gn1 h ILE 19 Cb 0.42 1.72 -0.01 0.00 -0.74 0.00 0.00 36.82 38.21 3gn1 h ILE 19 CO -0.21 0.29 -0.27 0.00 0.00 0.00 0.00 178.15 177.96 3gn1 h ALA 20 N 0.68 1.17 -0.06 1.87 0.00 -0.88 0.79 119.26 122.83 3gn1 h ALA 20 Ca 0.03 -0.34 -0.00 0.00 0.00 0.00 0.00 54.91 54.60 3gn1 h ALA 20 Cb 0.47 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 18.15 3gn1 h ALA 20 CO 0.01 0.53 0.02 0.28 0.00 0.00 0.00 179.25 180.10 3gn1 h VAL 21 N 0.33 1.15 -0.57 0.00 2.07 -1.07 -0.59 116.25 117.57 3gn1 h VAL 21 Ca 0.05 -0.45 -0.09 0.00 0.82 0.00 0.00 66.70 67.03 3gn1 h VAL 21 Cb 0.66 1.35 -0.02 0.00 -1.52 0.00 0.00 31.29 31.76 3gn1 h VAL 21 CO 0.05 0.13 0.01 0.50 0.02 0.00 0.00 177.57 178.28 3gn1 h LYS 22 N -0.08 0.98 -0.70 1.57 3.64 -1.05 0.42 116.57 121.34 3gn1 h LYS 22 Ca 0.02 -0.29 -0.00 0.00 -1.27 0.00 0.00 60.65 59.11 3gn1 h LYS 22 Cb 0.18 -0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.87 3gn1 h LYS 22 CO -0.00 0.95 0.43 -0.07 -2.27 0.00 0.00 179.45 178.49 3gn1 h LEU 23 N 0.90 0.83 -0.43 5.20 3.38 -0.84 -1.59 115.31 122.77 3gn1 h LEU 23 Ca 0.17 -0.05 -0.00 0.00 0.09 0.00 0.00 57.88 58.08 3gn1 h LEU 23 Cb 0.51 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 41.03 3gn1 h LEU 23 CO 0.02 0.64 0.26 -0.74 0.09 0.00 0.00 178.44 178.71 3gn1 h HIS 24 N 0.95 0.56 0.00 1.13 2.76 -0.54 -0.93 115.15 119.08 3gn1 h HIS 24 Ca 0.25 -0.00 -0.03 0.00 -2.20 0.00 0.00 60.37 58.39 3gn1 h HIS 24 Cb -0.05 -0.18 -0.00 0.00 1.55 0.00 0.00 27.41 28.72 3gn1 h HIS 24 CO -0.02 0.39 -0.15 1.96 -1.30 0.00 0.00 177.93 178.82 3gn1 h GLN 25 N 0.56 0.00 0.00 5.26 4.20 -0.68 -1.38 115.11 123.07 3gn1 h GLN 25 Ca 0.15 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.86 3gn1 h GLN 25 Cb -0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 3gn1 h GLN 25 CO -0.03 0.15 0.00 2.41 -0.67 0.00 0.00 178.83 180.69 3gn1 n THR 26 N -4.14 0.62 0.00 -0.54 -1.04 -0.62 -4.92 114.28 103.65 3gn1 n THR 26 Ca -0.02 -0.05 0.00 0.00 -2.04 0.00 0.00 64.05 61.94 3gn1 n THR 26 Cb 0.23 -0.79 0.00 0.00 -1.82 0.00 0.00 70.33 67.95 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 0.82 0.94 3.76 3.41 0.00 -0.52 -5.09 105.19 108.51 3gn1 n GLY 27 Ca 0.04 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.67 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 3.58 0.19 1.61 1.51 -0.39 -4.40 117.35 117.45 3gn1 s TYR 28 Ca 0.00 1.72 -0.29 0.00 -1.01 0.00 0.00 57.07 57.48 3gn1 s TYR 28 Cb 0.00 -3.23 -0.08 0.00 -0.11 0.00 0.00 41.96 38.55 3gn1 s TYR 28 CO 0.00 -0.44 0.93 1.03 -1.11 0.00 0.00 175.55 175.95 3gn1 s ARG 29 N -1.57 4.77 0.03 -0.62 0.52 -0.24 -4.10 118.95 117.74 3gn1 s ARG 29 Ca 0.46 1.43 0.09 0.00 -0.52 0.00 0.00 55.73 57.19 3gn1 s ARG 29 Cb -0.30 -3.31 -0.03 0.00 0.52 0.00 0.00 34.95 31.84 3gn1 s ARG 29 CO 0.38 0.43 -0.25 0.14 0.02 0.00 0.00 175.30 176.02 3gn1 s VAL 30 N -0.80 1.99 -0.32 3.52 -7.23 -0.57 0.14 120.40 117.13 3gn1 s VAL 30 Ca 0.42 -1.29 -0.10 0.00 -1.81 0.00 0.00 61.98 59.20 3gn1 s VAL 30 Cb -0.25 -1.70 -0.01 0.00 0.56 0.00 0.00 36.38 34.98 3gn1 s VAL 30 CO 0.31 0.36 0.18 -0.69 -0.31 0.00 0.00 175.10 174.94 3gn1 s VAL 31 N -0.76 4.77 -0.72 1.32 1.01 0.93 -1.90 120.40 125.05 3gn1 s VAL 31 Ca 0.10 -0.38 -0.21 0.00 0.00 0.00 0.00 61.98 61.50 3gn1 s VAL 31 Cb -0.10 -3.44 0.10 0.00 0.00 0.00 0.00 36.38 32.94 3gn1 s VAL 31 CO 0.01 0.04 0.95 -0.63 0.00 0.00 0.00 175.10 175.48 3gn1 s ILE 32 N 1.64 4.55 0.33 2.22 1.01 0.60 -2.10 121.20 129.44 3gn1 s ILE 32 Ca 0.05 -0.85 -0.25 0.00 0.00 0.00 0.00 60.65 59.60 3gn1 s ILE 32 Cb -0.17 -4.67 -0.10 0.00 0.01 0.00 0.00 42.46 37.53 3gn1 s ILE 32 CO 0.07 -1.40 0.92 -2.28 0.00 0.00 0.00 174.94 172.25 3gn1 s HIS 33 N 3.36 3.63 0.13 3.97 5.65 -0.59 -0.97 115.29 130.47 3gn1 s HIS 33 Ca 0.23 1.71 -0.15 0.00 0.25 0.00 0.00 55.06 57.10 3gn1 s HIS 33 Cb -0.15 -2.87 0.03 0.00 -1.18 0.00 0.00 32.58 28.40 3gn1 s HIS 33 CO 0.04 0.18 0.39 1.52 -0.65 0.00 0.00 174.74 176.22 3gn1 s TYR 34 N -1.69 -0.12 0.00 3.88 -0.85 -0.80 -0.34 117.35 117.44 3gn1 s TYR 34 Ca 0.51 -0.22 0.00 0.00 -0.52 0.00 0.00 57.07 56.84 3gn1 s TYR 34 Cb -0.17 0.23 0.00 0.00 0.38 0.00 0.00 41.96 42.40 3gn1 s TYR 34 CO 0.22 -0.72 0.00 1.58 -1.52 0.00 0.00 175.55 175.11 3gn1 n HIS 35 N -0.22 0.00 0.01 -3.49 -0.00 -1.26 -1.58 115.22 108.67 3gn1 n HIS 35 Ca -0.15 0.00 0.10 0.00 -0.00 0.00 0.00 57.72 57.68 3gn1 n HIS 35 Cb 0.63 0.00 -0.15 0.00 -0.00 0.00 0.00 29.99 30.47 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 -2.48 0.44 -3.58 0.26 3.02 -1.26 -4.75 115.26 106.91 3gn1 n ASN 36 Ca 0.00 -0.02 -0.41 0.00 -0.03 0.00 0.00 54.58 54.12 3gn1 n ASN 36 Cb 0.00 1.89 -0.00 0.00 -0.61 0.00 0.00 39.78 41.06 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 -2.18 7.12 -0.05 6.41 7.64 -1.26 -4.72 113.62 126.59 3gn1 n SER 37 Ca -0.03 -3.05 -0.11 0.00 1.01 0.00 0.00 58.87 56.68 3gn1 n SER 37 Cb 0.52 -1.43 -0.05 0.00 -1.01 0.00 0.00 64.21 62.23 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 5.03 0.22 -0.64 -0.43 0.00 -1.97 -1.99 119.26 119.49 3gn1 h ALA 38 Ca 0.63 -0.13 0.03 0.00 0.00 0.00 0.00 54.91 55.45 3gn1 h ALA 38 Cb 0.41 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 3gn1 h ALA 38 CO 1.58 -0.16 0.38 1.49 0.00 0.00 0.00 179.25 182.54 3gn1 h GLU 39 N 0.09 0.72 -0.29 0.00 4.81 -2.00 -2.08 114.58 115.84 3gn1 h GLU 39 Ca 0.05 -0.04 -0.16 0.00 -0.13 0.00 0.00 59.36 59.08 3gn1 h GLU 39 Cb 0.23 -0.16 -0.00 0.00 0.63 0.00 0.00 28.75 29.44 3gn1 h GLU 39 CO -0.00 0.48 -0.48 0.00 -0.73 0.00 0.00 179.01 178.28 3gn1 h ALA 40 N 1.29 0.61 -0.30 2.92 0.00 -1.87 -1.76 119.26 120.15 3gn1 h ALA 40 Ca 0.26 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.66 3gn1 h ALA 40 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.73 3gn1 h ALA 40 CO -0.12 0.68 0.09 0.00 0.00 0.00 0.00 179.25 179.90 3gn1 h ALA 41 N 0.84 0.39 -0.53 0.00 0.00 -1.13 -1.02 119.26 117.80 3gn1 h ALA 41 Ca 0.03 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 3gn1 h ALA 41 Cb 1.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.71 3gn1 h ALA 41 CO 0.10 0.02 0.01 0.28 0.00 0.00 0.00 179.25 179.66 3gn1 h VAL 42 N 0.32 1.26 -0.33 0.00 2.07 -1.41 -0.63 116.25 117.53 3gn1 h VAL 42 Ca 0.10 -1.10 0.05 0.00 0.82 0.00 0.00 66.70 66.57 3gn1 h VAL 42 Cb 0.24 0.91 -0.04 0.00 -1.52 0.00 0.00 31.29 30.88 3gn1 h VAL 42 CO -0.00 0.39 0.07 -1.28 0.02 0.00 0.00 177.57 176.76 3gn1 h SER 43 N 0.81 0.01 -0.20 0.57 0.87 -1.23 -0.97 113.55 113.41 3gn1 h SER 43 Ca 0.15 0.05 -0.00 0.00 -1.23 0.00 0.00 61.79 60.76 3gn1 h SER 43 Cb 0.52 0.07 -0.01 0.00 -0.44 0.00 0.00 62.40 62.55 3gn1 h SER 43 CO 0.03 0.04 0.11 0.25 -0.53 0.00 0.00 176.83 176.73 3gn1 h LEU 44 N 0.18 0.25 -0.94 2.23 5.85 -0.94 -2.22 115.31 119.73 3gn1 h LEU 44 Ca 0.15 -0.08 -0.02 0.00 0.84 0.00 0.00 57.88 58.77 3gn1 h LEU 44 Cb 0.17 -0.06 -0.04 0.00 0.37 0.00 0.00 40.66 41.10 3gn1 h LEU 44 CO -0.20 0.26 0.43 0.00 -0.34 0.00 0.00 178.44 178.59 3gn1 h ALA 45 N 1.00 1.18 -0.08 1.25 0.00 -0.97 -1.67 119.26 119.98 3gn1 h ALA 45 Ca 0.07 -0.14 0.04 0.00 0.00 0.00 0.00 54.91 54.88 3gn1 h ALA 45 Cb 0.06 -0.33 -0.04 0.00 0.00 0.00 0.00 17.79 17.48 3gn1 h ALA 45 CO -0.01 0.64 -0.18 -0.44 0.00 0.00 0.00 179.25 179.26 3gn1 h ASP 46 N 1.18 -0.55 -0.29 0.00 3.32 -1.07 0.14 116.42 119.16 3gn1 h ASP 46 Ca 0.29 0.09 0.06 0.00 0.02 0.00 0.00 57.03 57.49 3gn1 h ASP 46 Cb 0.07 0.24 -0.05 0.00 0.22 0.00 0.00 39.33 39.81 3gn1 h ASP 46 CO -0.04 -0.23 -0.06 -0.33 -1.72 0.00 0.00 179.24 176.85 3gn1 h GLU 47 N -0.25 0.01 -0.47 3.56 5.08 -0.94 0.56 114.58 122.13 3gn1 h GLU 47 Ca 0.08 -0.00 -0.12 0.00 -1.00 0.00 0.00 59.36 58.32 3gn1 h GLU 47 Cb 0.37 -0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 3gn1 h GLU 47 CO -0.23 0.01 -0.17 -0.07 -1.00 0.00 0.00 179.01 177.55 3gn1 h LEU 48 N 0.01 0.96 -1.58 1.33 3.38 -1.20 -2.28 115.31 115.93 3gn1 h LEU 48 Ca 0.14 -0.38 -0.04 0.00 0.09 0.00 0.00 57.88 57.68 3gn1 h LEU 48 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.69 3gn1 h LEU 48 CO -0.29 1.13 -0.21 0.78 0.09 0.00 0.00 178.44 179.94 3gn1 h ASN 49 N 0.79 0.00 1.28 -0.43 2.35 -0.59 -0.64 115.58 118.33 3gn1 h ASN 49 Ca 0.11 0.00 -0.04 0.00 -0.55 0.00 0.00 56.30 55.82 3gn1 h ASN 49 Cb 0.74 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.10 3gn1 h ASN 49 CO 0.06 0.21 -0.19 0.50 -1.65 0.00 0.00 177.43 176.36 3gn1 h LYS 50 N 0.00 0.00 0.00 0.81 3.64 -0.54 -2.83 116.57 117.64 3gn1 h LYS 50 Ca -0.00 0.00 -0.05 0.00 -1.27 0.00 0.00 60.65 59.33 3gn1 h LYS 50 Cb 0.49 0.00 -0.01 0.00 -0.41 0.00 0.00 32.23 32.31 3gn1 h LYS 50 CO 0.03 0.19 -0.26 1.49 -2.27 0.00 0.00 179.45 178.63 3gn1 h GLU 51 N 0.00 0.00 -3.17 1.90 4.57 -0.83 -3.45 114.58 113.60 3gn1 h GLU 51 Ca -0.00 0.00 -0.33 0.00 -1.18 0.00 0.00 59.36 57.85 3gn1 h GLU 51 Cb 0.88 0.00 -0.37 0.00 -0.16 0.00 0.00 28.75 29.10 3gn1 h GLU 51 CO 0.03 0.95 -0.68 1.03 -1.18 0.00 0.00 179.01 179.15 3gn1 s ARG 52 N -2.22 -0.01 0.30 1.92 0.52 -0.31 -5.11 118.95 114.04 3gn1 s ARG 52 Ca -0.20 0.46 -0.30 0.00 -0.52 0.00 0.00 55.73 55.18 3gn1 s ARG 52 Cb -0.01 -0.43 -0.12 0.00 0.52 0.00 0.00 34.95 34.91 3gn1 s ARG 52 CO 0.64 -0.33 1.47 -1.13 0.02 0.00 0.00 175.30 175.96 3gn1 n SER 53 N 5.31 3.34 -3.61 0.23 3.41 -1.07 -3.09 113.62 118.13 3gn1 n SER 53 Ca -0.04 1.17 -0.24 0.00 -0.26 0.00 0.00 58.87 59.50 3gn1 n SER 53 Cb 0.50 -1.53 0.07 0.00 -0.26 0.00 0.00 64.21 62.99 3gn1 n SER 53 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3gn1 n ASN 54 N 1.63 -5.52 -0.05 4.04 3.02 -1.26 -4.92 115.26 112.19 3gn1 n ASN 54 Ca 0.08 -0.58 0.01 0.00 -0.03 0.00 0.00 54.58 54.05 3gn1 n ASN 54 Cb 0.35 -4.91 0.02 0.00 -0.61 0.00 0.00 39.78 34.63 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 -4.85 1.05 -3.70 3.41 -2.24 -1.18 -5.01 114.28 101.77 3gn1 n THR 55 Ca -0.04 -1.06 -0.11 0.00 -2.27 0.00 0.00 64.05 60.58 3gn1 n THR 55 Cb 0.57 0.46 -0.11 0.00 -2.10 0.00 0.00 70.33 69.16 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 -1.09 -1.08 0.12 6.98 0.00 -1.26 -1.51 121.76 123.92 3gn1 s ALA 56 Ca 0.03 1.52 0.06 0.00 0.00 0.00 0.00 51.96 53.57 3gn1 s ALA 56 Cb 0.02 -0.92 -0.04 0.00 0.00 0.00 0.00 23.12 22.19 3gn1 s ALA 56 CO 0.01 -0.26 -0.15 0.14 0.00 0.00 0.00 175.76 175.51 3gn1 s VAL 57 N 1.25 1.38 0.27 0.00 -7.23 -0.80 -4.90 120.40 110.37 3gn1 s VAL 57 Ca -0.08 -1.72 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 3gn1 s VAL 57 Cb -0.08 -1.55 -0.04 0.00 0.56 0.00 0.00 36.38 35.27 3gn1 s VAL 57 CO -0.11 -0.39 0.45 0.68 -0.31 0.00 0.00 175.10 175.42 3gn1 s VAL 58 N -2.09 5.17 -0.18 1.32 -7.23 -1.26 -0.30 120.40 115.83 3gn1 s VAL 58 Ca 0.09 -0.49 -0.04 0.00 -1.81 0.00 0.00 61.98 59.74 3gn1 s VAL 58 Cb -0.05 -3.80 0.09 0.00 0.56 0.00 0.00 36.38 33.17 3gn1 s VAL 58 CO 0.03 -0.35 0.25 0.00 -0.31 0.00 0.00 175.10 174.72 3gn1 s GLN 60 N 2.38 4.52 -0.28 0.00 -0.44 -1.26 -1.90 119.66 122.69 3gn1 s GLN 60 Ca 0.06 1.12 -0.25 0.00 -2.50 0.00 0.00 55.36 53.80 3gn1 s GLN 60 Cb -0.14 -3.37 0.10 0.00 -1.64 0.00 0.00 33.01 27.95 3gn1 s GLN 60 CO -0.11 0.25 0.89 0.00 0.50 0.00 0.00 175.29 176.82 3gn1 s ALA 61 N 0.04 -1.90 -0.02 1.58 0.00 -0.62 -4.95 121.76 115.88 3gn1 s ALA 61 Ca 0.40 1.96 -0.30 0.00 0.00 0.00 0.00 51.96 54.02 3gn1 s ALA 61 Cb -0.21 -1.34 -0.04 0.00 0.00 0.00 0.00 23.12 21.54 3gn1 s ALA 61 CO 0.24 -0.28 1.15 0.34 0.00 0.00 0.00 175.76 177.20 3gn1 s ASP 62 N 0.34 7.12 0.00 0.00 2.15 -1.26 -4.24 116.67 120.78 3gn1 s ASP 62 Ca 0.01 1.81 0.21 0.00 0.43 0.00 0.00 52.55 55.02 3gn1 s ASP 62 Cb -0.05 -2.56 0.49 0.00 -0.30 0.00 0.00 42.92 40.50 3gn1 s ASP 62 CO -0.04 -0.50 1.42 0.18 -0.17 0.00 0.00 175.17 176.07 3gn1 n LEU 63 N 4.68 3.57 -4.71 -1.34 4.77 -1.26 -4.96 117.00 117.74 3gn1 n LEU 63 Ca 0.09 -1.75 -0.42 0.00 -0.03 0.00 0.00 56.01 53.90 3gn1 n LEU 63 Cb 0.47 -0.34 -0.01 0.00 -2.33 0.00 0.00 43.42 41.21 3gn1 n LEU 63 CO 0.54 0.84 0.95 0.41 -1.33 0.00 0.00 177.39 178.80 3gn1 n THR 64 N 1.42 1.95 -1.99 -5.08 -1.04 -1.26 -2.99 114.28 105.28 3gn1 n THR 64 Ca 0.20 -0.49 -0.41 0.00 -2.04 0.00 0.00 64.05 61.32 3gn1 n THR 64 Cb 0.58 -1.64 -0.01 0.00 -1.82 0.00 0.00 70.33 67.44 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 -0.25 6.61 0.13 8.00 2.47 -0.35 -4.75 114.94 126.80 3gn1 s ASN 65 Ca 0.56 2.83 -0.25 0.00 0.42 0.00 0.00 52.86 56.41 3gn1 s ASN 65 Cb -0.56 -2.66 0.08 0.00 -1.45 0.00 0.00 41.25 36.66 3gn1 s ASN 65 CO 0.62 -0.67 1.04 -0.94 -3.72 0.00 0.00 177.10 173.43 3gn1 s SER 66 N -0.35 -0.10 0.58 -4.21 1.04 -1.26 -4.87 113.70 104.54 3gn1 s SER 66 Ca 0.50 -0.44 0.38 0.00 0.48 0.00 0.00 55.95 56.87 3gn1 s SER 66 Cb -0.42 0.44 1.89 0.00 0.10 0.00 0.00 66.02 68.02 3gn1 s SER 66 CO 0.57 -0.83 2.15 0.78 0.98 0.00 0.00 173.24 176.89 3gn1 h ASN 67 N 2.00 0.00 0.10 7.02 2.35 -2.06 -2.36 115.58 122.64 3gn1 h ASN 67 Ca -0.26 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.49 3gn1 h ASN 67 Cb 1.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 39.59 3gn1 h ASN 67 CO 0.29 0.00 -0.26 1.33 -1.65 0.00 0.00 177.43 177.14 3gn1 n VAL 68 N -2.98 0.00 -0.22 2.81 0.24 -1.26 -4.46 118.33 112.47 3gn1 n VAL 68 Ca -0.01 -0.22 -0.01 0.00 -2.04 0.00 0.00 64.34 62.06 3gn1 n VAL 68 Cb 0.16 0.76 0.10 0.00 -1.47 0.00 0.00 33.84 33.39 3gn1 n VAL 68 CO 0.00 0.00 0.00 0.25 -2.14 0.00 0.00 176.83 174.94 3gn1 h LEU 69 N 2.04 0.44 -1.09 1.34 5.85 -1.72 -1.02 115.31 121.14 3gn1 h LEU 69 Ca 0.00 0.04 0.12 0.00 0.84 0.00 0.00 57.88 58.88 3gn1 h LEU 69 Cb 0.62 -0.03 -0.08 0.00 0.37 0.00 0.00 40.66 41.54 3gn1 h LEU 69 CO 0.00 0.28 0.61 -0.65 -0.34 0.00 0.00 178.44 178.34 3gn1 h PRO 70 N 0.58 0.91 -0.51 5.25 0.11 -1.79 -0.08 132.00 136.48 3gn1 h PRO 70 Ca 0.30 -0.05 -0.10 0.00 0.11 0.00 0.00 66.00 66.25 3gn1 h PRO 70 Cb 0.25 -0.21 -0.02 0.00 0.11 0.00 0.00 31.00 31.14 3gn1 h PRO 70 CO -0.22 0.60 -0.06 0.00 -0.21 0.00 0.00 178.00 178.11 3gn1 h ALA 71 N 1.55 0.69 -0.48 -0.75 0.00 -1.63 -0.62 119.26 118.02 3gn1 h ALA 71 Ca 0.47 -0.32 -0.01 0.00 0.00 0.00 0.00 54.91 55.05 3gn1 h ALA 71 Cb 0.48 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 18.07 3gn1 h ALA 71 CO -0.23 0.56 0.28 0.77 0.00 0.00 0.00 179.25 180.63 3gn1 h SER 72 N 0.80 0.59 -0.41 0.00 0.02 -0.50 -1.47 113.55 112.57 3gn1 h SER 72 Ca 0.14 -0.07 -0.11 0.00 -0.84 0.00 0.00 61.79 60.91 3gn1 h SER 72 Cb 0.61 -0.15 -0.01 0.00 0.14 0.00 0.00 62.40 62.99 3gn1 h SER 72 CO 0.04 0.49 -0.16 0.00 -1.14 0.00 0.00 176.83 176.06 3gn1 h GLU 74 N 0.65 0.57 0.06 0.00 4.81 -1.04 -2.69 114.58 116.93 3gn1 h GLU 74 Ca 0.10 -0.03 -0.25 0.00 -0.13 0.00 0.00 59.36 59.04 3gn1 h GLU 74 Cb 0.71 -0.13 0.01 0.00 0.63 0.00 0.00 28.75 29.97 3gn1 h GLU 74 CO 0.05 0.38 -1.07 1.49 -0.73 0.00 0.00 179.01 179.12 3gn1 h GLU 75 N 0.58 0.41 -0.56 1.92 4.57 -0.54 -0.29 114.58 120.68 3gn1 h GLU 75 Ca 0.27 -0.51 0.08 0.00 -1.18 0.00 0.00 59.36 58.02 3gn1 h GLU 75 Cb 0.30 0.16 -0.07 0.00 -0.16 0.00 0.00 28.75 28.99 3gn1 h GLU 75 CO -0.08 1.18 0.21 0.82 -1.18 0.00 0.00 179.01 179.96 3gn1 h ILE 76 N 0.20 0.79 -0.25 2.32 2.04 -0.98 0.21 117.51 121.85 3gn1 h ILE 76 Ca -0.11 -0.13 -0.07 0.00 1.00 0.00 0.00 64.86 65.55 3gn1 h ILE 76 Cb 1.74 0.37 -0.01 0.00 -0.74 0.00 0.00 36.82 38.19 3gn1 h ILE 76 CO 0.19 0.07 -0.11 0.40 0.00 0.00 0.00 178.15 178.70 3gn1 h ILE 77 N 0.39 1.30 -0.76 -0.67 1.08 -1.34 -2.91 117.51 114.59 3gn1 h ILE 77 Ca 0.28 -1.18 0.14 0.00 -0.39 0.00 0.00 64.86 63.70 3gn1 h ILE 77 Cb 0.32 1.55 -0.05 0.00 -3.07 0.00 0.00 36.82 35.58 3gn1 h ILE 77 CO -0.28 0.37 0.50 0.78 -0.69 0.00 0.00 178.15 178.83 3gn1 h ASN 78 N 0.23 0.45 0.31 1.72 2.35 -0.74 -1.95 115.58 117.96 3gn1 h ASN 78 Ca 0.06 0.02 -0.08 0.00 -0.55 0.00 0.00 56.30 55.75 3gn1 h ASN 78 Cb 0.61 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.90 3gn1 h ASN 78 CO 0.03 0.24 -0.35 0.28 -1.65 0.00 0.00 177.43 175.99 3gn1 h SER 79 N 0.49 0.06 -0.09 5.81 0.02 -0.76 0.13 113.55 119.20 3gn1 h SER 79 Ca 0.37 -0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.25 3gn1 h SER 79 Cb 0.75 -0.02 -0.00 0.00 0.14 0.00 0.00 62.40 63.28 3gn1 h SER 79 CO -0.13 0.41 -0.15 0.00 -1.14 0.00 0.00 176.83 175.82 3gn1 h PHE 81 N -0.18 0.08 -0.12 0.00 -1.00 -1.29 0.42 116.94 114.86 3gn1 h PHE 81 Ca 0.01 -0.01 -0.07 0.00 2.81 0.00 0.00 57.97 60.71 3gn1 h PHE 81 Cb 0.72 -0.02 0.00 0.00 3.61 0.00 0.00 35.95 40.25 3gn1 h PHE 81 CO 0.10 0.24 -0.21 0.00 -1.61 0.00 0.00 178.31 176.83 3gn1 h ARG 82 N 0.08 0.35 -0.33 1.51 3.08 -0.64 -0.66 114.38 117.77 3gn1 h ARG 82 Ca 0.02 -0.22 -0.14 0.00 0.07 0.00 0.00 59.98 59.71 3gn1 h ARG 82 Cb 0.32 0.02 -0.00 0.00 0.08 0.00 0.00 29.97 30.39 3gn1 h ARG 82 CO 0.02 0.81 -0.34 0.00 -1.07 0.00 0.00 179.97 179.39 3gn1 h ALA 83 N 0.54 0.49 0.00 0.04 0.00 -1.11 -3.42 119.26 115.80 3gn1 h ALA 83 Ca 0.01 -0.43 0.00 0.00 0.00 0.00 0.00 54.91 54.49 3gn1 h ALA 83 Cb 0.79 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.47 3gn1 h ALA 83 CO 0.05 0.55 0.00 1.19 0.00 0.00 0.00 179.25 181.04 3gn1 n PHE 84 N -4.17 0.00 -0.52 0.00 0.99 0.15 -5.02 117.46 108.88 3gn1 n PHE 84 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.42 3gn1 n PHE 84 Cb 0.51 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.99 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 0.56 1.20 3.61 1.37 0.00 -0.26 -4.96 105.19 106.70 3gn1 n GLY 85 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 45.92 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 -0.29 1.49 -0.24 1.61 1.70 -1.26 -4.94 118.95 117.03 3gn1 s ARG 86 Ca 0.00 -0.69 -0.03 0.00 -0.47 0.00 0.00 55.73 54.54 3gn1 s ARG 86 Cb 0.00 0.60 0.11 0.00 -0.57 0.00 0.00 34.95 35.09 3gn1 s ARG 86 CO 0.00 -0.67 0.25 0.00 -1.08 0.00 0.00 175.30 173.80 3gn1 n ASP 88 N 5.32 0.49 -3.83 0.00 9.92 -0.35 -4.97 116.55 123.12 3gn1 n ASP 88 Ca -0.04 0.19 -0.13 0.00 -0.53 0.00 0.00 54.79 54.28 3gn1 n ASP 88 Cb 0.48 0.44 -0.14 0.00 -0.64 0.00 0.00 41.12 41.26 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 -2.54 -0.02 -0.08 2.53 1.01 -1.00 -1.79 120.40 118.52 3gn1 s VAL 89 Ca -0.08 0.06 0.03 0.00 0.00 0.00 0.00 61.98 61.98 3gn1 s VAL 89 Cb 0.07 -0.07 0.01 0.00 0.00 0.00 0.00 36.38 36.39 3gn1 s VAL 89 CO 0.82 0.02 -0.16 -0.22 0.00 0.00 0.00 175.10 175.56 3gn1 s LEU 90 N 0.31 1.79 -0.23 3.92 2.96 -0.76 -0.87 118.68 125.79 3gn1 s LEU 90 Ca -0.02 -0.39 0.01 0.00 -0.22 0.00 0.00 54.13 53.50 3gn1 s LEU 90 Cb -0.04 -1.03 0.04 0.00 0.50 0.00 0.00 46.19 45.66 3gn1 s LEU 90 CO -0.01 0.07 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.28 3gn1 s VAL 91 N 0.61 2.35 -0.90 1.68 1.01 0.96 -0.62 120.40 125.50 3gn1 s VAL 91 Ca -0.15 -1.26 -0.20 0.00 0.00 0.00 0.00 61.98 60.37 3gn1 s VAL 91 Cb -0.16 -2.22 0.11 0.00 0.00 0.00 0.00 36.38 34.11 3gn1 s VAL 91 CO 0.05 0.20 1.15 0.20 0.00 0.00 0.00 175.10 176.69 3gn1 s ASN 92 N 1.22 6.53 -0.14 3.32 0.01 0.35 -1.80 114.94 124.44 3gn1 s ASN 92 Ca -0.02 -1.77 0.07 0.00 -0.71 0.00 0.00 52.86 50.42 3gn1 s ASN 92 Cb -0.17 -2.43 -0.13 0.00 0.41 0.00 0.00 41.25 38.93 3gn1 s ASN 92 CO -0.07 -1.19 -0.04 -3.20 -1.51 0.00 0.00 177.10 171.09 3gn1 n ASN 93 N 7.09 2.31 -4.78 -1.22 5.15 -1.26 -0.83 115.26 121.72 3gn1 n ASN 93 Ca 0.20 -0.04 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 3gn1 n ASN 93 Cb 0.49 0.35 -0.00 0.00 -0.53 0.00 0.00 39.78 40.09 3gn1 n ASN 93 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3gn1 s ALA 94 N -2.31 3.59 -0.28 5.20 0.00 -1.17 -4.88 121.76 121.90 3gn1 s ALA 94 Ca -0.13 1.59 -0.13 0.00 0.00 0.00 0.00 51.96 53.30 3gn1 s ALA 94 Cb 0.04 -3.62 0.10 0.00 0.00 0.00 0.00 23.12 19.65 3gn1 s ALA 94 CO 0.44 -1.08 0.65 0.45 0.00 0.00 0.00 175.76 176.23 3gn1 s SER 95 N -0.10 -1.02 0.15 0.00 0.15 -1.26 -4.53 113.70 107.09 3gn1 s SER 95 Ca 0.53 1.52 -0.22 0.00 0.70 0.00 0.00 55.95 58.48 3gn1 s SER 95 Cb -0.47 1.82 -0.08 0.00 -1.71 0.00 0.00 66.02 65.59 3gn1 s SER 95 CO 0.63 -0.23 0.70 0.00 1.20 0.00 0.00 173.24 175.54 3gn1 s ALA 96 N 2.28 3.48 -0.28 5.45 0.00 -1.26 -5.06 121.76 126.37 3gn1 s ALA 96 Ca -0.08 0.21 0.01 0.00 0.00 0.00 0.00 51.96 52.10 3gn1 s ALA 96 Cb -0.09 -2.82 0.15 0.00 0.00 0.00 0.00 23.12 20.36 3gn1 s ALA 96 CO -0.19 0.34 0.39 0.12 0.00 0.00 0.00 175.76 176.41 3gn1 s PHE 97 N -1.24 -0.89 0.05 0.00 2.19 -1.26 -4.84 117.98 111.98 3gn1 s PHE 97 Ca 0.36 0.30 -0.27 0.00 0.33 0.00 0.00 56.93 57.65 3gn1 s PHE 97 Cb -0.20 -0.19 0.08 0.00 -1.31 0.00 0.00 43.02 41.40 3gn1 s PHE 97 CO 0.23 -0.94 0.68 1.52 1.83 0.00 0.00 175.22 178.54 3gn1 s TYR 98 N 2.51 -0.55 0.53 10.12 -0.85 -1.26 -5.17 117.35 122.68 3gn1 s TYR 98 Ca 0.10 0.62 -0.20 0.00 -0.52 0.00 0.00 57.07 57.07 3gn1 s TYR 98 Cb -0.13 0.50 -0.06 0.00 0.38 0.00 0.00 41.96 42.64 3gn1 s TYR 98 CO -0.29 -0.70 1.12 -1.25 -1.52 0.00 0.00 175.55 172.91 3gn1 s PRO 99 N -2.61 3.44 -0.40 -3.49 0.04 -1.26 -4.67 135.00 126.04 3gn1 s PRO 99 Ca -0.03 1.58 0.05 0.00 0.04 0.00 0.00 61.00 62.65 3gn1 s PRO 99 Cb -0.01 -2.03 0.20 0.00 0.04 0.00 0.00 34.50 32.70 3gn1 s PRO 99 CO -0.04 -0.78 0.41 0.25 0.04 0.00 0.00 177.00 176.89 3gn1 n THR 100 N -1.22 -1.02 -1.70 1.26 -2.24 0.76 -5.00 114.28 105.13 3gn1 n THR 100 Ca 0.11 -3.58 -0.43 0.00 -2.27 0.00 0.00 64.05 57.88 3gn1 n THR 100 Cb 0.51 -1.70 -0.02 0.00 -2.10 0.00 0.00 70.33 67.02 3gn1 n THR 100 CO 0.00 0.00 0.00 -2.65 -0.57 0.00 0.00 175.07 171.85 3gn1 n PRO 101 N 2.33 2.23 0.21 -0.78 -0.02 -1.23 -4.38 135.00 133.35 3gn1 n PRO 101 Ca 0.27 0.79 0.06 0.00 -2.02 0.00 0.00 63.50 62.60 3gn1 n PRO 101 Cb 0.50 -2.46 0.46 0.00 -0.02 0.00 0.00 33.50 31.98 3gn1 n PRO 101 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 3gn1 h LEU 102 N 3.91 0.00 -4.60 2.45 3.38 -2.01 -3.52 115.31 114.93 3gn1 h LEU 102 Ca -0.46 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 56.96 3gn1 h LEU 102 Cb 1.26 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.60 3gn1 h LEU 102 CO 0.73 0.29 -0.82 0.52 0.09 0.00 0.00 178.44 179.26 3gn1 n VAL 103 N -3.84 2.13 -1.32 1.22 0.31 -1.26 -5.26 118.33 110.31 3gn1 n VAL 103 Ca -0.01 -4.59 -0.29 0.00 -0.01 0.00 0.00 64.34 59.43 3gn1 n VAL 103 Cb 0.38 -0.92 0.04 0.00 -0.91 0.00 0.00 33.84 32.43 3gn1 n VAL 103 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3gn1 n GLY 113 N -0.41 5.07 3.72 2.92 0.00 -1.26 -5.20 105.19 110.03 3gn1 n GLY 113 Ca 0.34 -1.92 -0.42 0.00 0.00 0.00 0.00 46.02 44.02 3gn1 n GLY 113 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3gn1 s LYS 114 N -2.96 4.36 0.82 1.61 1.02 -1.26 -5.02 119.74 118.32 3gn1 s LYS 114 Ca 0.52 1.99 -0.12 0.00 0.02 0.00 0.00 55.97 58.38 3gn1 s LYS 114 Cb 0.40 -3.26 0.09 0.00 -0.52 0.00 0.00 37.83 34.54 3gn1 s LYS 114 CO -0.11 -0.35 1.18 0.95 -0.92 0.00 0.00 175.35 176.10 3gn1 s THR 115 N 0.90 2.19 0.30 2.17 -4.23 -1.26 -4.89 115.64 110.83 3gn1 s THR 115 Ca 0.61 0.08 -0.01 0.00 -1.18 0.00 0.00 61.69 61.20 3gn1 s THR 115 Cb -0.35 -2.39 0.21 0.00 1.34 0.00 0.00 72.50 71.31 3gn1 s THR 115 CO 0.31 -0.07 1.92 1.62 -0.54 0.00 0.00 174.62 177.86 3gn1 h VAL 116 N -1.11 1.20 -0.02 2.29 3.04 -1.99 -2.30 116.25 117.36 3gn1 h VAL 116 Ca -0.45 -0.55 -0.09 0.00 -1.01 0.00 0.00 66.70 64.60 3gn1 h VAL 116 Cb 1.28 0.35 -0.01 0.00 -2.01 0.00 0.00 31.29 30.90 3gn1 h VAL 116 CO 0.46 0.24 -0.42 -0.33 -1.01 0.00 0.00 177.57 176.50 3gn1 h GLU 117 N 0.91 0.04 -0.56 4.17 4.39 -1.99 0.36 114.58 121.91 3gn1 h GLU 117 Ca 0.23 -0.02 -0.04 0.00 0.34 0.00 0.00 59.36 59.87 3gn1 h GLU 117 Cb 0.06 -0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.69 3gn1 h GLU 117 CO -0.03 0.46 0.19 1.15 -1.16 0.00 0.00 179.01 179.61 3gn1 h THR 118 N 0.03 1.23 -0.61 1.13 2.02 -1.87 -1.26 112.91 113.58 3gn1 h THR 118 Ca 0.00 -0.78 -0.04 0.00 0.77 0.00 0.00 66.41 66.36 3gn1 h THR 118 Cb 0.76 0.69 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 3gn1 h THR 118 CO 0.06 0.29 0.23 1.56 0.37 0.00 0.00 175.52 178.02 3gn1 h GLN 119 N 0.77 0.93 0.06 6.66 4.20 -0.81 0.31 115.11 127.23 3gn1 h GLN 119 Ca 0.18 -0.18 0.03 0.00 0.06 0.00 0.00 58.65 58.74 3gn1 h GLN 119 Cb 0.26 -0.14 -0.04 0.00 0.30 0.00 0.00 27.48 27.86 3gn1 h GLN 119 CO -0.01 0.81 -0.28 0.28 -0.67 0.00 0.00 178.83 178.96 3gn1 h VAL 120 N 0.87 0.39 -0.64 -0.54 2.07 -0.89 0.25 116.25 117.75 3gn1 h VAL 120 Ca 0.20 0.00 0.09 0.00 0.82 0.00 0.00 66.70 67.81 3gn1 h VAL 120 Cb 0.24 0.39 -0.07 0.00 -1.52 0.00 0.00 31.29 30.32 3gn1 h VAL 120 CO -0.01 0.00 0.29 0.00 0.02 0.00 0.00 177.57 177.87 3gn1 h ALA 121 N 0.30 0.86 -0.01 1.67 0.00 -0.88 0.87 119.26 122.07 3gn1 h ALA 121 Ca 0.05 0.06 -0.03 0.00 0.00 0.00 0.00 54.91 54.99 3gn1 h ALA 121 Cb 0.51 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gn1 h ALA 121 CO -0.20 -0.11 -0.11 0.93 0.00 0.00 0.00 179.25 179.76 3gn1 h GLU 122 N 0.51 0.08 -0.02 0.00 5.08 -0.80 -0.59 114.58 118.83 3gn1 h GLU 122 Ca 0.32 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.49 3gn1 h GLU 122 Cb 0.35 0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.62 3gn1 h GLU 122 CO -0.27 0.82 -0.42 -0.07 -1.00 0.00 0.00 179.01 178.07 3gn1 h LEU 123 N -0.62 0.41 -0.16 1.33 3.38 -0.36 -2.14 115.31 117.16 3gn1 h LEU 123 Ca -0.01 -0.73 -0.22 0.00 0.09 0.00 0.00 57.88 57.01 3gn1 h LEU 123 Cb 0.85 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.47 3gn1 h LEU 123 CO 0.02 1.08 -0.97 0.40 0.09 0.00 0.00 178.44 179.06 3gn1 h ILE 124 N -0.22 1.51 0.82 1.22 1.08 -0.99 -2.89 117.51 118.04 3gn1 h ILE 124 Ca -0.05 -2.77 -0.04 0.00 -0.39 0.00 0.00 64.86 61.62 3gn1 h ILE 124 Cb 1.12 2.59 0.01 0.00 -3.07 0.00 0.00 36.82 37.47 3gn1 h ILE 124 CO 0.08 0.81 -0.40 1.23 -0.69 0.00 0.00 178.15 179.18 3gn1 h GLY 125 N 1.83 -1.16 1.03 5.37 0.00 -1.20 -1.14 103.07 107.81 3gn1 h GLY 125 Ca -0.06 0.43 -0.03 0.00 0.00 0.00 0.00 47.33 47.67 3gn1 h GLY 125 CO 0.15 -0.42 0.38 -0.91 0.00 0.00 0.00 176.54 175.74 3gn1 h THR 126 N -1.17 1.25 0.00 4.70 1.35 -1.28 0.20 112.91 117.96 3gn1 h THR 126 Ca -0.11 -0.71 0.00 0.00 -0.55 0.00 0.00 66.41 65.04 3gn1 h THR 126 Cb 0.85 0.26 0.00 0.00 -1.73 0.00 0.00 68.15 67.53 3gn1 h THR 126 CO 0.19 0.30 -0.38 0.78 -0.25 0.00 0.00 175.52 176.15 3gn1 h ASN 127 N 1.12 0.00 0.00 5.36 2.35 -1.58 -3.40 115.58 119.43 3gn1 h ASN 127 Ca 0.27 -0.03 0.00 0.00 -0.55 0.00 0.00 56.30 55.99 3gn1 h ASN 127 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 3gn1 h ASN 127 CO -0.03 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.76 3gn1 n ALA 128 N -2.05 2.66 -0.04 -0.83 0.00 -0.83 -4.44 120.51 114.99 3gn1 n ALA 128 Ca 0.03 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.33 3gn1 n ALA 128 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 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 1.41 -0.01 0.00 1.08 -0.72 -1.20 117.51 118.07 3gn1 h ILE 129 Ca 0.00 -1.41 0.01 0.00 -0.39 0.00 0.00 64.86 63.07 3gn1 h ILE 129 Cb 0.00 2.18 -0.01 0.00 -3.07 0.00 0.00 36.82 35.92 3gn1 h ILE 129 CO 0.00 0.39 -0.02 0.00 -0.69 0.00 0.00 178.15 177.83 3gn1 h ALA 130 N 0.50 -0.01 -0.85 1.87 0.00 -0.88 0.60 119.26 120.49 3gn1 h ALA 130 Ca 0.00 0.01 0.19 0.00 0.00 0.00 0.00 54.91 55.11 3gn1 h ALA 130 Cb 0.69 0.04 -0.11 0.00 0.00 0.00 0.00 17.79 18.41 3gn1 h ALA 130 CO 0.03 -0.51 0.35 -1.35 0.00 0.00 0.00 179.25 177.77 3gn1 h PRO 131 N -0.03 0.41 -0.68 0.00 0.11 -1.77 0.40 132.00 130.44 3gn1 h PRO 131 Ca 0.01 -0.02 -0.06 0.00 0.11 0.00 0.00 66.00 66.04 3gn1 h PRO 131 Cb 0.05 -0.09 -0.03 0.00 0.11 0.00 0.00 31.00 31.04 3gn1 h PRO 131 CO -0.03 0.27 0.20 0.35 -0.21 0.00 0.00 178.00 178.58 3gn1 h PHE 132 N 0.43 1.12 -0.04 0.65 3.57 -0.63 -0.90 116.94 121.13 3gn1 h PHE 132 Ca 0.50 -0.12 -0.24 0.00 3.53 0.00 0.00 57.97 61.64 3gn1 h PHE 132 Cb 0.87 -0.32 0.01 0.00 2.79 0.00 0.00 35.95 39.30 3gn1 h PHE 132 CO -0.15 0.90 -0.93 -0.07 -2.23 0.00 0.00 178.31 175.83 3gn1 h LEU 133 N 1.01 0.76 -1.46 0.59 3.38 -0.00 -2.15 115.31 117.44 3gn1 h LEU 133 Ca 0.22 -0.57 -0.01 0.00 0.09 0.00 0.00 57.88 57.61 3gn1 h LEU 133 Cb 0.32 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gn1 h LEU 133 CO -0.00 1.37 0.26 -0.07 0.09 0.00 0.00 178.44 180.08 3gn1 h LEU 134 N 0.36 0.55 -0.10 1.67 3.38 -0.20 -1.49 115.31 119.48 3gn1 h LEU 134 Ca -0.09 -0.03 -0.03 0.00 0.09 0.00 0.00 57.88 57.82 3gn1 h LEU 134 Cb 1.56 -0.14 -0.00 0.00 0.09 0.00 0.00 40.66 42.17 3gn1 h LEU 134 CO 0.18 0.44 -0.06 0.74 0.09 0.00 0.00 178.44 179.82 3gn1 h THR 135 N 0.64 1.33 -0.13 0.22 2.02 -1.01 0.15 112.91 116.13 3gn1 h THR 135 Ca 0.17 -1.13 0.05 0.00 0.77 0.00 0.00 66.41 66.26 3gn1 h THR 135 Cb 0.01 1.87 -0.06 0.00 -1.74 0.00 0.00 68.15 68.22 3gn1 h THR 135 CO -0.03 0.32 -0.26 0.24 0.37 0.00 0.00 175.52 176.16 3gn1 h MET 136 N -0.15 -0.32 -0.47 6.66 2.86 -1.29 -0.88 114.93 121.34 3gn1 h MET 136 Ca 0.02 0.02 -0.03 0.00 -2.06 0.00 0.00 59.70 57.65 3gn1 h MET 136 Cb 0.54 0.07 -0.02 0.00 0.06 0.00 0.00 31.60 32.25 3gn1 h MET 136 CO 0.02 -0.21 0.17 0.77 1.06 0.00 0.00 176.91 178.71 3gn1 h SER 137 N -0.33 0.67 -0.25 1.22 0.02 -1.24 0.26 113.55 113.89 3gn1 h SER 137 Ca 0.10 -0.19 0.06 0.00 -0.84 0.00 0.00 61.79 60.93 3gn1 h SER 137 Cb 0.48 -0.17 -0.07 0.00 0.14 0.00 0.00 62.40 62.78 3gn1 h SER 137 CO -0.32 0.68 -0.22 0.15 -1.14 0.00 0.00 176.83 175.98 3gn1 h PHE 138 N 0.62 -0.57 -0.15 3.45 3.57 -0.56 -1.27 116.94 122.03 3gn1 h PHE 138 Ca 0.15 0.04 -0.21 0.00 3.53 0.00 0.00 57.97 61.48 3gn1 h PHE 138 Cb 0.23 0.29 0.01 0.00 2.79 0.00 0.00 35.95 39.27 3gn1 h PHE 138 CO 0.01 -0.29 -0.74 0.00 -2.23 0.00 0.00 178.31 175.05 3gn1 h ALA 139 N 0.88 0.40 -0.72 2.41 0.00 -0.91 -3.04 119.26 118.28 3gn1 h ALA 139 Ca 0.14 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.56 3gn1 h ALA 139 Cb 0.43 -0.03 -0.07 0.00 0.00 0.00 0.00 17.79 18.12 3gn1 h ALA 139 CO -0.38 0.70 0.37 0.37 0.00 0.00 0.00 179.25 180.31 3gn1 h GLN 140 N 0.50 0.60 0.00 0.00 5.75 -0.38 -2.63 115.11 118.94 3gn1 h GLN 140 Ca -0.04 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 58.42 3gn1 h GLN 140 Cb 1.35 -0.13 0.00 0.00 1.07 0.00 0.00 27.48 29.77 3gn1 h GLN 140 CO 0.15 0.40 0.00 0.54 -2.65 0.00 0.00 178.83 177.26 3gn1 n ARG 141 N -4.86 0.19 -1.39 1.69 5.12 -0.49 -5.08 116.66 111.85 3gn1 n ARG 141 Ca 0.11 0.44 -0.30 0.00 -1.93 0.00 0.00 57.85 56.18 3gn1 n ARG 141 Cb 0.28 -1.88 0.21 0.00 -1.16 0.00 0.00 32.46 29.91 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 -3.34 -0.31 0.00 5.56 -1.52 -1.00 -5.05 119.66 114.01 3gn1 s GLN 142 Ca 0.04 -0.09 0.00 0.00 -1.95 0.00 0.00 55.36 53.36 3gn1 s GLN 142 Cb 0.09 -1.71 0.00 0.00 -0.22 0.00 0.00 33.01 31.17 3gn1 s GLN 142 CO 0.38 -3.10 0.00 0.45 -0.25 0.00 0.00 175.29 172.77 3gn1 n SER 152 N -4.32 0.00 -3.31 5.90 2.88 -1.26 -5.10 113.62 108.41 3gn1 n SER 152 Ca 0.12 0.00 -0.26 0.00 -1.33 0.00 0.00 58.87 57.41 3gn1 n SER 152 Cb 0.59 0.00 -0.09 0.00 -0.75 0.00 0.00 64.21 63.97 3gn1 n SER 152 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 3gn1 n ASN 153 N 0.00 -0.17 -4.74 -3.46 5.15 -1.26 -5.12 115.26 105.65 3gn1 n ASN 153 Ca 0.00 -2.51 -0.39 0.00 -0.60 0.00 0.00 54.58 51.08 3gn1 n ASN 153 Cb 0.00 -0.59 -0.06 0.00 -0.53 0.00 0.00 39.78 38.61 3gn1 n ASN 153 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 3gn1 s LEU 154 N -0.47 4.35 0.14 1.20 1.43 -1.26 -4.81 118.68 119.26 3gn1 s LEU 154 Ca 0.34 1.04 -0.18 0.00 -1.03 0.00 0.00 54.13 54.29 3gn1 s LEU 154 Cb 0.09 -2.86 0.05 0.00 0.03 0.00 0.00 46.19 43.50 3gn1 s LEU 154 CO -0.16 0.03 0.47 -0.94 0.23 0.00 0.00 176.35 175.98 3gn1 s SER 155 N 0.25 -0.34 -0.05 2.29 1.04 -0.74 -2.06 113.70 114.09 3gn1 s SER 155 Ca 0.30 -0.22 0.06 0.00 0.48 0.00 0.00 55.95 56.58 3gn1 s SER 155 Cb -0.17 0.52 -0.02 0.00 0.10 0.00 0.00 66.02 66.45 3gn1 s SER 155 CO 0.15 -0.90 -0.24 -0.63 0.98 0.00 0.00 173.24 172.60 3gn1 s ILE 156 N -3.79 2.15 -0.13 -1.02 1.01 0.18 -1.83 121.20 117.77 3gn1 s ILE 156 Ca 0.03 -1.05 0.02 0.00 0.00 0.00 0.00 60.65 59.65 3gn1 s ILE 156 Cb 0.01 -1.77 0.01 0.00 0.01 0.00 0.00 42.46 40.72 3gn1 s ILE 156 CO -0.12 0.57 -0.18 -0.69 0.00 0.00 0.00 174.94 174.52 3gn1 s VAL 157 N -0.35 1.80 -0.20 2.92 1.01 0.21 -1.63 120.40 124.16 3gn1 s VAL 157 Ca 0.02 -0.81 -0.09 0.00 0.00 0.00 0.00 61.98 61.10 3gn1 s VAL 157 Cb -0.12 -1.62 -0.05 0.00 0.00 0.00 0.00 36.38 34.59 3gn1 s VAL 157 CO 0.02 0.50 0.11 0.20 0.00 0.00 0.00 175.10 175.93 3gn1 s ASN 158 N 1.01 6.03 -0.43 3.32 0.01 -0.07 -0.49 114.94 124.32 3gn1 s ASN 158 Ca -0.04 0.17 -0.28 0.00 -0.71 0.00 0.00 52.86 52.00 3gn1 s ASN 158 Cb -0.15 -2.05 0.03 0.00 0.41 0.00 0.00 41.25 39.48 3gn1 s ASN 158 CO -0.04 0.17 1.07 -0.76 -1.51 0.00 0.00 177.10 176.02 3gn1 s LEU 159 N 0.43 3.80 0.00 0.60 2.01 -0.01 -1.24 118.68 124.27 3gn1 s LEU 159 Ca 0.07 0.54 0.00 0.00 0.01 0.00 0.00 54.13 54.74 3gn1 s LEU 159 Cb -0.12 -3.45 0.00 0.00 0.01 0.00 0.00 46.19 42.63 3gn1 s LEU 159 CO -0.01 -1.10 0.00 0.00 1.01 0.00 0.00 176.35 176.25 3gn1 s ASP 161 N -0.49 -0.41 0.26 0.00 -1.08 -1.26 -4.24 116.67 109.45 3gn1 s ASP 161 Ca 0.00 1.02 0.24 0.00 -0.52 0.00 0.00 52.55 53.28 3gn1 s ASP 161 Cb 0.00 1.53 0.98 0.00 -1.46 0.00 0.00 42.92 43.97 3gn1 s ASP 161 CO 0.00 -0.24 1.71 0.00 0.52 0.00 0.00 175.17 177.16 3gn1 n ALA 162 N 5.40 1.66 -0.34 3.66 0.00 0.14 -2.49 120.51 128.54 3gn1 n ALA 162 Ca -0.08 0.08 0.09 0.00 0.00 0.00 0.00 53.44 53.53 3gn1 n ALA 162 Cb 0.49 -1.39 0.32 0.00 0.00 0.00 0.00 19.45 18.88 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 -2.24 3.33 0.03 0.00 2.81 -1.26 -4.55 117.12 115.24 3gn1 n MET 163 Ca 0.02 -2.55 0.21 0.00 -1.81 0.00 0.00 57.70 53.57 3gn1 n MET 163 Cb 0.23 -1.79 0.73 0.00 -0.71 0.00 0.00 33.22 31.68 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 3.73 0.57 -0.01 2.03 -1.51 -1.88 -0.52 116.25 118.65 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 1.27 0.69 0.00 0.00 -2.13 0.00 0.00 31.29 31.12 3gn1 h VAL 164 CO 0.18 0.00 -0.53 0.47 -1.23 0.00 0.00 177.57 176.46 3gn1 n ASP 165 N -4.09 1.52 -3.22 4.19 8.00 -1.26 -4.28 116.55 117.41 3gn1 n ASP 165 Ca 0.09 -1.20 -0.25 0.00 0.71 0.00 0.00 54.79 54.14 3gn1 n ASP 165 Cb 0.63 0.49 -0.06 0.00 -0.02 0.00 0.00 41.12 42.15 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 -0.54 1.96 0.00 -1.24 6.02 -0.23 -5.27 117.38 118.09 3gn1 n GLN 166 Ca 0.09 -4.13 0.00 0.00 -0.01 0.00 0.00 57.00 52.95 3gn1 n GLN 166 Cb 0.41 -1.89 0.00 0.00 1.02 0.00 0.00 30.24 29.78 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 0.66 0.00 -4.71 -1.09 -0.04 -1.06 -4.89 135.00 123.86 3gn1 n PRO 167 Ca 0.27 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.40 3gn1 n PRO 167 Cb 0.48 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.81 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 3.04 -1.36 0.54 1.75 -1.26 -5.02 119.30 116.99 3gn1 s MET 169 Ca 0.00 -0.63 0.00 0.00 -1.25 0.00 0.00 55.69 53.81 3gn1 s MET 169 Cb 0.00 -2.60 0.00 0.00 2.84 0.00 0.00 34.83 35.07 3gn1 s MET 169 CO 0.00 0.44 0.00 0.00 -0.65 0.00 0.00 175.02 174.81 3gn1 n ALA 170 N 2.88 -0.21 -1.60 4.11 0.00 -1.26 -4.94 120.51 119.49 3gn1 n ALA 170 Ca -0.18 0.20 -0.27 0.00 0.00 0.00 0.00 53.44 53.20 3gn1 n ALA 170 Cb 0.53 -1.47 0.08 0.00 0.00 0.00 0.00 19.45 18.58 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 -2.71 2.78 -0.09 0.00 3.01 -1.26 -0.17 117.46 119.02 3gn1 n PHE 171 Ca -0.13 -2.50 -0.06 0.00 1.01 0.00 0.00 57.45 55.77 3gn1 n PHE 171 Cb 0.44 -0.90 0.00 0.00 -0.01 0.00 0.00 39.48 39.01 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 1.89 -0.51 -0.19 4.37 0.02 -1.92 0.62 113.55 117.83 3gn1 h SER 172 Ca 0.48 0.12 -0.09 0.00 -0.84 0.00 0.00 61.79 61.46 3gn1 h SER 172 Cb 1.30 0.28 -0.00 0.00 0.14 0.00 0.00 62.40 64.12 3gn1 h SER 172 CO 1.11 -0.18 -0.23 -0.07 -1.14 0.00 0.00 176.83 176.32 3gn1 h LEU 173 N -0.09 0.53 -0.52 5.07 3.38 -1.89 0.35 115.31 122.14 3gn1 h LEU 173 Ca 0.17 -0.50 0.10 0.00 0.09 0.00 0.00 57.88 57.75 3gn1 h LEU 173 Cb 0.35 -0.15 -0.09 0.00 0.09 0.00 0.00 40.66 40.86 3gn1 h LEU 173 CO -0.39 0.92 -0.02 0.22 0.09 0.00 0.00 178.44 179.25 3gn1 h TYR 174 N 0.15 -0.08 -0.64 1.13 3.20 -1.79 -0.33 116.97 118.62 3gn1 h TYR 174 Ca 0.03 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.85 3gn1 h TYR 174 Cb 0.78 0.11 -0.02 0.00 1.54 0.00 0.00 36.73 39.14 3gn1 h TYR 174 CO 0.08 -0.14 0.06 -0.97 -1.64 0.00 0.00 178.16 175.55 3gn1 h ASN 175 N 0.09 1.05 -0.86 -2.11 -0.00 -0.49 -0.58 115.58 112.67 3gn1 h ASN 175 Ca 0.26 -0.27 0.04 0.00 -0.00 0.00 0.00 56.30 56.33 3gn1 h ASN 175 Cb 0.40 -0.28 -0.05 0.00 -0.00 0.00 0.00 38.32 38.39 3gn1 h ASN 175 CO -0.45 1.06 0.57 0.24 -0.00 0.00 0.00 177.43 178.84 3gn1 h MET 176 N 1.00 1.03 -0.18 6.67 2.86 0.06 -0.55 114.93 125.83 3gn1 h MET 176 Ca 0.19 -0.06 -0.07 0.00 -2.06 0.00 0.00 59.70 57.69 3gn1 h MET 176 Cb 0.49 -0.23 -0.00 0.00 0.06 0.00 0.00 31.60 31.91 3gn1 h MET 176 CO 0.02 0.68 -0.18 0.78 1.06 0.00 0.00 176.91 179.27 3gn1 h GLY 177 N 1.06 0.47 1.75 8.32 0.00 -0.31 -0.69 103.07 113.68 3gn1 h GLY 177 Ca 0.35 -0.48 -0.09 0.00 0.00 0.00 0.00 47.33 47.11 3gn1 h GLY 177 CO -0.11 0.44 -0.30 0.50 0.00 0.00 0.00 176.54 177.07 3gn1 h LYS 178 N 0.09 0.29 -0.40 4.80 1.79 -1.04 -1.54 116.57 120.55 3gn1 h LYS 178 Ca 0.03 -0.11 -0.04 0.00 -2.18 0.00 0.00 60.65 58.35 3gn1 h LYS 178 Cb 0.72 -0.02 -0.02 0.00 -1.58 0.00 0.00 32.23 31.33 3gn1 h LYS 178 CO 0.04 0.56 0.09 0.45 -1.08 0.00 0.00 179.45 179.52 3gn1 h HIS 179 N 0.25 0.69 -0.34 -1.35 3.86 -1.00 -2.73 115.15 114.53 3gn1 h HIS 179 Ca 0.04 -0.09 -0.02 0.00 -1.16 0.00 0.00 60.37 59.14 3gn1 h HIS 179 Cb 0.66 -0.19 -0.02 0.00 1.06 0.00 0.00 27.41 28.92 3gn1 h HIS 179 CO 0.01 0.66 0.13 0.00 0.86 0.00 0.00 177.93 179.59 3gn1 h ALA 180 N 0.94 1.59 -0.62 2.45 0.00 -0.88 -2.13 119.26 120.61 3gn1 h ALA 180 Ca 0.13 -0.10 -0.06 0.00 0.00 0.00 0.00 54.91 54.87 3gn1 h ALA 180 Cb 0.33 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 17.94 3gn1 h ALA 180 CO 0.00 0.32 0.15 1.25 0.00 0.00 0.00 179.25 180.98 3gn1 h LEU 181 N 0.48 0.91 -0.22 0.00 5.85 -1.18 -0.08 115.31 121.08 3gn1 h LEU 181 Ca 0.12 -0.18 0.00 0.00 0.84 0.00 0.00 57.88 58.67 3gn1 h LEU 181 Cb 0.11 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 40.89 3gn1 h LEU 181 CO -0.01 0.88 0.14 0.58 -0.34 0.00 0.00 178.44 179.69 3gn1 h VAL 182 N 0.93 1.05 -0.49 1.05 2.07 -1.09 -1.19 116.25 118.58 3gn1 h VAL 182 Ca 0.20 -0.10 0.09 0.00 0.82 0.00 0.00 66.70 67.71 3gn1 h VAL 182 Cb 0.33 0.74 -0.07 0.00 -1.52 0.00 0.00 31.29 30.77 3gn1 h VAL 182 CO -0.00 0.05 0.06 1.23 0.02 0.00 0.00 177.57 178.93 3gn1 h GLY 183 N 0.28 0.55 1.00 2.17 0.00 -0.96 -1.53 103.07 104.59 3gn1 h GLY 183 Ca 0.08 0.01 -0.00 0.00 0.00 0.00 0.00 47.33 47.42 3gn1 h GLY 183 CO -0.02 -0.10 0.40 -2.00 0.00 0.00 0.00 176.54 174.82 3gn1 h LEU 184 N 0.18 0.77 -0.32 3.11 5.85 -0.91 0.42 115.31 124.41 3gn1 h LEU 184 Ca 0.25 -0.05 0.03 0.00 0.84 0.00 0.00 57.88 58.95 3gn1 h LEU 184 Cb 0.35 -0.19 -0.03 0.00 0.37 0.00 0.00 40.66 41.15 3gn1 h LEU 184 CO -0.36 0.59 0.12 0.74 -0.34 0.00 0.00 178.44 179.19 3gn1 h THR 185 N 0.88 0.92 -0.03 1.05 2.02 -0.44 0.16 112.91 117.46 3gn1 h THR 185 Ca 0.23 -0.09 -0.02 0.00 0.77 0.00 0.00 66.41 67.30 3gn1 h THR 185 Cb -0.05 0.64 0.00 0.00 -1.74 0.00 0.00 68.15 67.00 3gn1 h THR 185 CO -0.05 0.05 -0.08 1.56 0.37 0.00 0.00 175.52 177.38 3gn1 h GLN 186 N 0.26 0.11 -0.27 6.66 4.20 -1.16 -0.38 115.11 124.53 3gn1 h GLN 186 Ca 0.14 -0.07 0.06 0.00 0.06 0.00 0.00 58.65 58.84 3gn1 h GLN 186 Cb 0.11 0.01 -0.06 0.00 0.30 0.00 0.00 27.48 27.84 3gn1 h GLN 186 CO -0.14 0.67 -0.11 0.77 -0.67 0.00 0.00 178.83 179.35 3gn1 h SER 187 N -0.43 -0.37 -0.43 1.46 0.02 -0.76 -2.26 113.55 110.78 3gn1 h SER 187 Ca -0.00 0.10 -0.13 0.00 -0.84 0.00 0.00 61.79 60.92 3gn1 h SER 187 Cb 0.67 0.22 -0.01 0.00 0.14 0.00 0.00 62.40 63.41 3gn1 h SER 187 CO 0.02 -0.14 -0.22 0.00 -1.14 0.00 0.00 176.83 175.34 3gn1 h ALA 188 N 1.17 0.60 -0.63 3.77 0.00 -0.72 -1.70 119.26 121.76 3gn1 h ALA 188 Ca 0.14 -0.39 0.11 0.00 0.00 0.00 0.00 54.91 54.77 3gn1 h ALA 188 Cb 0.27 -0.14 -0.08 0.00 0.00 0.00 0.00 17.79 17.83 3gn1 h ALA 188 CO -0.31 0.59 0.18 0.00 0.00 0.00 0.00 179.25 179.70 3gn1 h ALA 189 N 0.83 0.79 -0.23 0.00 0.00 -0.97 0.60 119.26 120.27 3gn1 h ALA 189 Ca 0.09 0.12 -0.03 0.00 0.00 0.00 0.00 54.91 55.09 3gn1 h ALA 189 Cb 0.80 0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3gn1 h ALA 189 CO 0.07 -0.27 0.01 -0.07 0.00 0.00 0.00 179.25 178.99 3gn1 h LEU 190 N 0.32 0.39 -0.41 0.00 3.38 -1.26 -2.78 115.31 114.95 3gn1 h LEU 190 Ca 0.33 -0.29 -0.18 0.00 0.09 0.00 0.00 57.88 57.83 3gn1 h LEU 190 Cb 0.48 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.11 3gn1 h LEU 190 CO -0.38 0.59 -0.79 -0.08 0.09 0.00 0.00 178.44 177.87 3gn1 h GLU 191 N 0.18 0.19 -0.01 1.13 4.81 -0.83 -3.31 114.58 116.75 3gn1 h GLU 191 Ca 0.07 -0.18 0.00 0.00 -0.13 0.00 0.00 59.36 59.11 3gn1 h GLU 191 Cb 0.38 0.05 0.00 0.00 0.63 0.00 0.00 28.75 29.80 3gn1 h GLU 191 CO 0.01 0.88 -0.79 1.28 -0.73 0.00 0.00 179.01 179.66 3gn1 n LEU 192 N -3.72 1.34 -0.20 1.64 4.77 0.16 -4.35 117.00 116.64 3gn1 n LEU 192 Ca -0.03 -0.59 0.01 0.00 -0.03 0.00 0.00 56.01 55.37 3gn1 n LEU 192 Cb 0.74 0.00 0.11 0.00 -2.33 0.00 0.00 43.42 41.95 3gn1 n LEU 192 CO 0.46 0.29 0.89 0.00 -1.33 0.00 0.00 177.39 177.70 3gn1 h ALA 193 N 3.23 0.70 -0.39 -1.18 0.00 -1.54 -1.03 119.26 119.04 3gn1 h ALA 193 Ca 0.00 0.16 0.11 0.00 0.00 0.00 0.00 54.91 55.18 3gn1 h ALA 193 Cb 0.58 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.59 3gn1 h ALA 193 CO 0.00 -0.35 0.46 -1.35 0.00 0.00 0.00 179.25 178.01 3gn1 h PRO 194 N 0.20 0.00 -0.08 0.00 0.11 -1.80 0.86 132.00 131.29 3gn1 h PRO 194 Ca 0.33 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.44 3gn1 h PRO 194 Cb 0.52 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.63 3gn1 h PRO 194 CO -0.46 0.00 0.00 0.66 -0.21 0.00 0.00 178.00 177.99 3gn1 n TYR 195 N -3.62 0.09 -2.32 0.65 4.02 -0.44 -4.95 117.16 110.59 3gn1 n TYR 195 Ca 0.07 -0.05 -0.16 0.00 -0.01 0.00 0.00 57.90 57.75 3gn1 n TYR 195 Cb 0.63 0.00 -0.01 0.00 -0.02 0.00 0.00 39.34 39.94 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 1.23 -0.29 3.52 2.72 0.00 0.30 -5.00 105.19 107.67 3gn1 n GLY 196 Ca 0.17 -0.21 -0.41 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.80 5.25 0.16 -0.61 1.01 -0.92 -4.15 121.20 119.14 3gn1 s ILE 197 Ca 0.01 -0.25 -0.24 0.00 0.00 0.00 0.00 60.65 60.17 3gn1 s ILE 197 Cb -0.00 -3.79 -0.08 0.00 0.01 0.00 0.00 42.46 38.60 3gn1 s ILE 197 CO 0.01 -0.09 0.74 -0.13 0.00 0.00 0.00 174.94 175.46 3gn1 s ARG 198 N 1.79 4.46 -0.13 2.79 0.52 -0.87 -3.56 118.95 123.94 3gn1 s ARG 198 Ca 0.07 1.05 -0.01 0.00 -0.52 0.00 0.00 55.73 56.33 3gn1 s ARG 198 Cb -0.17 -3.20 0.03 0.00 0.52 0.00 0.00 34.95 32.13 3gn1 s ARG 198 CO 0.11 0.56 -0.06 0.08 0.02 0.00 0.00 175.30 176.00 3gn1 s VAL 199 N -1.20 1.01 0.26 3.52 1.01 -1.26 -0.64 120.40 123.10 3gn1 s VAL 199 Ca 0.36 -0.40 0.02 0.00 0.00 0.00 0.00 61.98 61.95 3gn1 s VAL 199 Cb -0.22 -1.11 -0.04 0.00 0.00 0.00 0.00 36.38 35.02 3gn1 s VAL 199 CO 0.24 0.26 0.15 0.20 0.00 0.00 0.00 175.10 175.95 3gn1 s ASN 200 N 1.70 0.96 0.09 3.32 0.01 -0.64 0.34 114.94 120.71 3gn1 s ASN 200 Ca 0.03 -1.49 0.02 0.00 -0.71 0.00 0.00 52.86 50.71 3gn1 s ASN 200 Cb -0.14 0.37 -0.04 0.00 0.41 0.00 0.00 41.25 41.85 3gn1 s ASN 200 CO -0.08 -0.86 -0.06 -0.83 -1.51 0.00 0.00 177.10 173.75 3gn1 s GLY 201 N -3.28 0.72 -0.08 0.66 0.00 0.11 -0.89 107.32 104.57 3gn1 s GLY 201 Ca 0.38 -1.28 0.01 0.00 0.00 0.00 0.00 44.72 43.83 3gn1 s GLY 201 CO 0.16 -1.39 -0.10 0.14 0.00 0.00 0.00 173.10 171.91 3gn1 s VAL 202 N -3.42 1.06 -0.39 1.40 1.01 -0.37 -0.94 120.40 118.75 3gn1 s VAL 202 Ca 0.09 -0.39 0.02 0.00 0.00 0.00 0.00 61.98 61.71 3gn1 s VAL 202 Cb 0.04 -1.01 0.11 0.00 0.00 0.00 0.00 36.38 35.52 3gn1 s VAL 202 CO -0.05 0.35 0.13 0.00 0.00 0.00 0.00 175.10 175.53 3gn1 s ALA 203 N 1.07 3.03 0.58 5.51 0.00 0.73 0.62 121.76 133.31 3gn1 s ALA 203 Ca -0.07 -2.66 -0.17 0.00 0.00 0.00 0.00 51.96 49.06 3gn1 s ALA 203 Cb -0.14 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.81 3gn1 s ALA 203 CO -0.01 -1.77 1.10 -2.14 0.00 0.00 0.00 175.76 172.93 3gn1 s PRO 204 N 0.78 3.23 0.00 0.00 0.02 -1.26 -0.83 135.00 136.93 3gn1 s PRO 204 Ca 0.11 1.42 0.00 0.00 0.02 0.00 0.00 61.00 62.56 3gn1 s PRO 204 Cb -0.21 -2.01 0.00 0.00 0.02 0.00 0.00 34.50 32.31 3gn1 s PRO 204 CO -0.06 -0.91 0.00 0.41 -0.33 0.00 0.00 177.00 176.11 3gn1 n GLY 205 N -0.34 0.93 3.33 0.52 0.00 -1.19 -0.69 105.19 107.74 3gn1 n GLY 205 Ca 0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.76 3gn1 n GLY 205 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3gn1 s VAL 206 N 0.08 3.80 0.00 1.61 -7.23 -1.26 -4.84 120.40 112.55 3gn1 s VAL 206 Ca 0.00 -0.71 0.00 0.00 -1.81 0.00 0.00 61.98 59.46 3gn1 s VAL 206 Cb 0.00 -2.94 0.00 0.00 0.56 0.00 0.00 36.38 34.00 3gn1 s VAL 206 CO 0.00 0.12 0.00 -0.24 -0.31 0.00 0.00 175.10 174.67 3gn1 n SER 207 N 4.84 0.00 -4.66 4.85 2.88 -1.26 -0.82 113.62 119.45 3gn1 n SER 207 Ca -0.15 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 56.96 3gn1 n SER 207 Cb 0.48 0.00 -0.03 0.00 -0.75 0.00 0.00 64.21 63.91 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 4.01 -4.75 2.46 4.77 -1.24 -4.58 117.00 117.67 3gn1 n LEU 208 Ca 0.00 0.86 -0.32 0.00 -0.03 0.00 0.00 56.01 56.52 3gn1 n LEU 208 Cb 0.00 -1.51 0.09 0.00 -2.33 0.00 0.00 43.42 39.67 3gn1 n LEU 208 CO 0.00 0.11 0.73 -0.76 -1.33 0.00 0.00 177.39 176.14 3gn1 s LEU 209 N 4.69 3.19 0.47 2.23 2.01 -1.26 -4.95 118.68 125.06 3gn1 s LEU 209 Ca 0.90 2.05 -0.25 0.00 0.01 0.00 0.00 54.13 56.84 3gn1 s LEU 209 Cb -0.46 -4.55 -0.08 0.00 0.01 0.00 0.00 46.19 41.11 3gn1 s LEU 209 CO 0.43 -2.09 1.42 -2.84 1.01 0.00 0.00 176.35 174.29 3gn1 s PRO 210 N -4.38 3.60 0.59 1.29 0.02 -1.26 -4.88 135.00 129.99 3gn1 s PRO 210 Ca 0.67 2.41 0.32 0.00 0.02 0.00 0.00 61.00 64.42 3gn1 s PRO 210 Cb -0.22 -2.60 1.88 0.00 0.02 0.00 0.00 34.50 33.58 3gn1 s PRO 210 CO 0.49 -0.88 2.25 -0.39 -0.33 0.00 0.00 177.00 178.14 3gn1 h VAL 211 N 2.18 0.43 0.00 3.83 -1.51 -2.03 -1.95 116.25 117.20 3gn1 h VAL 211 Ca -0.51 -0.09 0.00 0.00 -1.23 0.00 0.00 66.70 64.88 3gn1 h VAL 211 Cb 1.27 1.06 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 3gn1 h VAL 211 CO 0.60 0.02 -0.12 0.00 -1.23 0.00 0.00 177.57 176.85 3gn1 h ALA 212 N 1.98 0.93 -2.47 5.19 0.00 -2.04 -3.45 119.26 119.41 3gn1 h ALA 212 Ca -0.00 0.00 -0.54 0.00 0.00 0.00 0.00 54.91 54.37 3gn1 h ALA 212 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.85 3gn1 h ALA 212 CO 0.00 0.00 0.65 1.41 0.00 0.00 0.00 179.25 181.31 3gn1 s MET 213 N -3.14 4.38 0.67 0.00 0.00 -0.73 -5.04 119.30 115.43 3gn1 s MET 213 Ca 0.09 1.85 -0.12 0.00 0.00 0.00 0.00 55.69 57.51 3gn1 s MET 213 Cb 0.11 -3.37 -0.00 0.00 0.00 0.00 0.00 34.83 31.56 3gn1 s MET 213 CO 0.63 -0.36 1.06 0.20 0.00 0.00 0.00 175.02 176.56 3gn1 s GLY 214 N 1.22 1.83 0.37 2.11 0.00 -1.26 -4.87 107.32 106.71 3gn1 s GLY 214 Ca 0.60 0.20 0.12 0.00 0.00 0.00 0.00 44.72 45.65 3gn1 s GLY 214 CO 0.28 0.52 1.84 -2.09 0.00 0.00 0.00 173.10 173.65 3gn1 h GLU 215 N -0.35 0.58 -0.38 2.90 4.57 -1.99 -2.40 114.58 117.51 3gn1 h GLU 215 Ca -0.45 -0.03 -0.05 0.00 -1.18 0.00 0.00 59.36 57.65 3gn1 h GLU 215 Cb 1.21 -0.13 -0.01 0.00 -0.16 0.00 0.00 28.75 29.66 3gn1 h GLU 215 CO 0.57 0.38 0.05 1.49 -1.18 0.00 0.00 179.01 180.32 3gn1 h GLU 216 N 0.59 0.64 -0.58 1.92 4.81 -1.99 -2.03 114.58 117.94 3gn1 h GLU 216 Ca 0.50 -0.18 -0.09 0.00 -0.13 0.00 0.00 59.36 59.46 3gn1 h GLU 216 Cb 0.97 -0.07 -0.02 0.00 0.63 0.00 0.00 28.75 30.25 3gn1 h GLU 216 CO -0.24 0.70 0.01 1.49 -0.73 0.00 0.00 179.01 180.24 3gn1 h GLU 217 N 0.48 1.02 -0.38 1.92 4.81 -1.87 -2.05 114.58 118.52 3gn1 h GLU 217 Ca 0.12 -0.32 0.07 0.00 -0.13 0.00 0.00 59.36 59.09 3gn1 h GLU 217 Cb 0.38 -0.09 -0.06 0.00 0.63 0.00 0.00 28.75 29.60 3gn1 h GLU 217 CO 0.01 1.01 -0.02 0.87 -0.73 0.00 0.00 179.01 180.15 3gn1 h LYS 218 N 0.92 0.08 -0.32 1.92 1.57 -1.29 -2.77 116.57 116.67 3gn1 h LYS 218 Ca 0.17 -0.00 -0.07 0.00 -1.87 0.00 0.00 60.65 58.87 3gn1 h LYS 218 Cb 0.54 -0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.82 3gn1 h LYS 218 CO 0.03 0.05 -0.10 -0.44 -0.57 0.00 0.00 179.45 178.42 3gn1 h ASP 219 N 0.08 0.52 -0.47 0.86 3.32 -1.23 0.11 116.42 119.61 3gn1 h ASP 219 Ca 0.19 -0.13 0.07 0.00 0.02 0.00 0.00 57.03 57.18 3gn1 h ASP 219 Cb 0.27 -0.14 -0.06 0.00 0.22 0.00 0.00 39.33 39.62 3gn1 h ASP 219 CO -0.33 0.67 0.11 0.50 -1.72 0.00 0.00 179.24 178.46 3gn1 h LYS 220 N 0.50 0.24 -0.28 3.56 3.64 -1.12 -0.74 116.57 122.38 3gn1 h LYS 220 Ca 0.09 -0.01 -0.06 0.00 -1.27 0.00 0.00 60.65 59.40 3gn1 h LYS 220 Cb 0.48 -0.05 -0.01 0.00 -0.41 0.00 0.00 32.23 32.24 3gn1 h LYS 220 CO 0.03 0.16 -0.07 -1.49 -2.27 0.00 0.00 179.45 175.80 3gn1 h TRP 221 N 0.25 0.61 -0.41 1.91 4.06 -1.18 -3.26 115.95 117.93 3gn1 h TRP 221 Ca 0.23 -0.13 0.07 0.00 2.06 0.00 0.00 58.89 61.11 3gn1 h TRP 221 Cb 0.29 -0.15 -0.06 0.00 -1.00 0.00 0.00 29.16 28.24 3gn1 h TRP 221 CO -0.21 0.75 0.06 0.00 -3.56 0.00 0.00 178.44 175.48 3gn1 h ARG 222 N 0.29 0.18 0.00 0.49 3.08 -0.77 -1.98 114.38 115.68 3gn1 h ARG 222 Ca 0.07 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.11 3gn1 h ARG 222 Cb 0.55 -0.04 0.00 0.00 0.08 0.00 0.00 29.97 30.56 3gn1 h ARG 222 CO 0.03 0.12 0.02 0.54 -1.07 0.00 0.00 179.97 179.61 3gn1 n ARG 223 N -5.12 0.09 0.13 0.04 1.74 -0.30 -2.14 116.66 111.09 3gn1 n ARG 223 Ca 0.03 0.58 0.12 0.00 -0.77 0.00 0.00 57.85 57.81 3gn1 n ARG 223 Cb 0.20 -1.82 0.08 0.00 -1.02 0.00 0.00 32.46 29.89 3gn1 n ARG 223 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 3gn1 h LYS 224 N 0.00 0.00 -6.64 5.56 1.57 -1.43 -3.46 116.57 112.17 3gn1 h LYS 224 Ca 0.00 0.00 -0.56 0.00 -1.87 0.00 0.00 60.65 58.22 3gn1 h LYS 224 Cb 0.04 0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 3gn1 h LYS 224 CO 0.00 0.00 0.96 0.08 -0.57 0.00 0.00 179.45 179.92 3gn1 s VAL 225 N -3.29 4.15 0.23 0.50 1.01 -0.91 -4.79 120.40 117.30 3gn1 s VAL 225 Ca 0.03 1.18 -0.06 0.00 0.00 0.00 0.00 61.98 63.13 3gn1 s VAL 225 Cb 0.09 -4.49 0.21 0.00 0.00 0.00 0.00 36.38 32.19 3gn1 s VAL 225 CO 0.74 -0.91 1.70 -0.65 0.00 0.00 0.00 175.10 175.99 3gn1 h PRO 226 N 9.51 0.31 -5.53 2.72 0.11 -1.83 -1.88 132.00 135.41 3gn1 h PRO 226 Ca -0.24 -0.02 -0.64 0.00 0.11 0.00 0.00 66.00 65.21 3gn1 h PRO 226 Cb 1.07 -0.07 -0.14 0.00 0.11 0.00 0.00 31.00 31.97 3gn1 h PRO 226 CO 1.11 0.20 1.01 -1.17 -0.21 0.00 0.00 178.00 178.94 3gn1 s LEU 227 N -10.52 4.33 0.00 2.35 2.96 -0.58 -4.18 118.68 113.03 3gn1 s LEU 227 Ca -0.13 -1.57 0.00 0.00 -0.22 0.00 0.00 54.13 52.21 3gn1 s LEU 227 Cb 0.20 -2.47 0.00 0.00 0.50 0.00 0.00 46.19 44.42 3gn1 s LEU 227 CO 0.75 -1.32 0.00 0.61 -1.32 0.00 0.00 176.35 175.07 3gn1 n GLY 228 N 5.89 0.90 3.82 7.98 0.00 -1.26 -4.36 105.19 118.16 3gn1 n GLY 228 Ca 0.21 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.99 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 -2.00 -4.13 -3.45 1.61 5.12 -0.71 -4.96 116.66 108.14 3gn1 n ARG 229 Ca 0.00 0.52 -0.12 0.00 -1.93 0.00 0.00 57.85 56.32 3gn1 n ARG 229 Cb 0.00 -4.87 -0.03 0.00 -1.16 0.00 0.00 32.46 26.40 3gn1 n ARG 229 CO 0.00 0.00 0.00 -0.98 -1.93 0.00 0.00 177.63 174.72 3gn1 s ARG 230 N -6.24 1.24 0.54 5.56 1.70 -1.11 -4.27 118.95 116.36 3gn1 s ARG 230 Ca 0.00 -0.46 -0.16 0.00 -0.47 0.00 0.00 55.73 54.64 3gn1 s ARG 230 Cb -0.00 0.57 -0.07 0.00 -0.57 0.00 0.00 34.95 34.88 3gn1 s ARG 230 CO 0.85 -0.53 1.01 -1.83 -1.08 0.00 0.00 175.30 173.71 3gn1 s GLU 231 N -3.60 3.77 0.37 3.89 1.03 -1.26 -4.84 118.70 118.05 3gn1 s GLU 231 Ca 0.00 1.04 -0.28 0.00 0.03 0.00 0.00 54.97 55.77 3gn1 s GLU 231 Cb -0.01 -2.11 -0.11 0.00 -0.80 0.00 0.00 34.13 31.11 3gn1 s GLU 231 CO -0.12 -0.43 1.45 0.00 -1.33 0.00 0.00 175.26 174.84 3gn1 s ALA 232 N -2.55 3.53 0.83 -0.84 0.00 0.00 -4.93 121.76 117.81 3gn1 s ALA 232 Ca 0.60 1.51 -0.11 0.00 0.00 0.00 0.00 51.96 53.96 3gn1 s ALA 232 Cb -0.12 -3.59 0.09 0.00 0.00 0.00 0.00 23.12 19.51 3gn1 s ALA 232 CO 0.32 -1.00 1.09 -1.54 0.00 0.00 0.00 175.76 174.64 3gn1 s SER 233 N -0.24 4.14 0.29 0.00 1.04 -1.26 -3.71 113.70 113.96 3gn1 s SER 233 Ca 0.53 1.44 0.01 0.00 0.48 0.00 0.00 55.95 58.40 3gn1 s SER 233 Cb -0.45 -2.16 0.46 0.00 0.10 0.00 0.00 66.02 63.97 3gn1 s SER 233 CO 0.61 -2.21 1.82 0.00 0.98 0.00 0.00 173.24 174.43 3gn1 h ALA 234 N -1.26 1.23 -0.76 5.32 0.00 -1.95 -2.78 119.26 119.07 3gn1 h ALA 234 Ca -0.47 -0.23 -0.01 0.00 0.00 0.00 0.00 54.91 54.20 3gn1 h ALA 234 Cb 1.27 -0.18 -0.04 0.00 0.00 0.00 0.00 17.79 18.84 3gn1 h ALA 234 CO 0.57 0.51 0.43 1.49 0.00 0.00 0.00 179.25 182.25 3gn1 h GLU 235 N 0.65 1.05 -0.94 0.00 4.81 -1.92 -1.49 114.58 116.74 3gn1 h GLU 235 Ca 0.14 -0.12 0.03 0.00 -0.13 0.00 0.00 59.36 59.28 3gn1 h GLU 235 Cb 0.37 -0.21 -0.05 0.00 0.63 0.00 0.00 28.75 29.49 3gn1 h GLU 235 CO 0.01 0.77 0.61 1.96 -0.73 0.00 0.00 179.01 181.64 3gn1 h GLN 236 N 1.05 1.17 -0.26 1.92 4.20 -1.87 0.33 115.11 121.64 3gn1 h GLN 236 Ca 0.27 -0.07 -0.05 0.00 0.06 0.00 0.00 58.65 58.86 3gn1 h GLN 236 Cb 0.02 -0.26 -0.01 0.00 0.30 0.00 0.00 27.48 27.52 3gn1 h GLN 236 CO -0.05 0.77 -0.02 0.82 -0.67 0.00 0.00 178.83 179.69 3gn1 h ILE 237 N 1.20 1.26 -0.95 2.54 1.08 -1.37 -3.14 117.51 118.14 3gn1 h ILE 237 Ca 0.37 -0.96 -0.00 0.00 -0.39 0.00 0.00 64.86 63.88 3gn1 h ILE 237 Cb -0.03 1.37 -0.05 0.00 -3.07 0.00 0.00 36.82 35.05 3gn1 h ILE 237 CO -0.11 0.30 0.59 0.00 -0.69 0.00 0.00 178.15 178.24 3gn1 h ALA 238 N 0.80 1.25 -0.88 1.87 0.00 -0.61 -2.28 119.26 119.41 3gn1 h ALA 238 Ca 0.07 -0.09 0.20 0.00 0.00 0.00 0.00 54.91 55.09 3gn1 h ALA 238 Cb 0.45 -0.38 -0.11 0.00 0.00 0.00 0.00 17.79 17.75 3gn1 h ALA 238 CO 0.02 0.66 0.41 -0.44 0.00 0.00 0.00 179.25 179.89 3gn1 h ASP 239 N 1.30 0.40 0.12 0.00 3.32 -0.33 0.34 116.42 121.57 3gn1 h ASP 239 Ca 0.34 0.13 -0.22 0.00 0.02 0.00 0.00 57.03 57.31 3gn1 h ASP 239 Cb -0.08 0.09 0.01 0.00 0.22 0.00 0.00 39.33 39.56 3gn1 h ASP 239 CO -0.07 0.07 -0.85 0.00 -1.72 0.00 0.00 179.24 176.68 3gn1 h ALA 240 N 1.66 0.38 -0.14 3.45 0.00 -1.40 -0.91 119.26 122.30 3gn1 h ALA 240 Ca 0.53 -0.65 0.03 0.00 0.00 0.00 0.00 54.91 54.82 3gn1 h ALA 240 Cb 0.93 -0.02 -0.03 0.00 0.00 0.00 0.00 17.79 18.67 3gn1 h ALA 240 CO -0.47 0.74 -0.05 0.28 0.00 0.00 0.00 179.25 179.75 3gn1 h VAL 241 N 0.36 0.83 -0.81 0.00 2.07 -0.97 -2.04 116.25 115.70 3gn1 h VAL 241 Ca -0.07 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.48 3gn1 h VAL 241 Cb 1.47 0.83 -0.05 0.00 -1.52 0.00 0.00 31.29 32.03 3gn1 h VAL 241 CO 0.16 0.00 0.53 0.40 0.02 0.00 0.00 177.57 178.67 3gn1 h ILE 242 N -0.02 1.16 -0.13 4.57 1.08 -0.26 -1.78 117.51 122.13 3gn1 h ILE 242 Ca 0.07 -0.36 0.02 0.00 -0.39 0.00 0.00 64.86 64.20 3gn1 h ILE 242 Cb 0.12 0.02 -0.02 0.00 -3.07 0.00 0.00 36.82 33.88 3gn1 h ILE 242 CO -0.15 0.19 0.01 0.15 -0.69 0.00 0.00 178.15 177.66 3gn1 h PHE 243 N 1.04 0.01 0.00 1.37 3.57 -1.04 -2.62 116.94 119.27 3gn1 h PHE 243 Ca 0.31 0.01 -0.05 0.00 3.53 0.00 0.00 57.97 61.77 3gn1 h PHE 243 Cb -0.04 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 38.71 3gn1 h PHE 243 CO -0.02 -0.01 -0.26 -0.07 -2.23 0.00 0.00 178.31 175.72 3gn1 h LEU 244 N 0.06 0.00 0.00 0.59 3.38 -0.75 -1.68 115.31 116.91 3gn1 h LEU 244 Ca 0.06 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.03 3gn1 h LEU 244 Cb 0.06 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.81 3gn1 h LEU 244 CO -0.09 0.26 -0.22 -0.37 0.09 0.00 0.00 178.44 178.11 3gn1 h VAL 245 N 0.00 0.00 -4.48 1.22 -1.51 -1.20 -3.44 116.25 106.83 3gn1 h VAL 245 Ca -0.00 -0.64 -0.49 0.00 -1.23 0.00 0.00 66.70 64.34 3gn1 h VAL 245 Cb 0.54 1.51 0.09 0.00 -2.13 0.00 0.00 31.29 31.30 3gn1 h VAL 245 CO 0.03 0.00 0.40 -0.94 -1.23 0.00 0.00 177.57 175.84 3gn1 s SER 246 N -4.92 5.08 0.41 4.19 1.04 -0.63 -4.94 113.70 113.92 3gn1 s SER 246 Ca 0.08 1.07 0.28 0.00 0.48 0.00 0.00 55.95 57.86 3gn1 s SER 246 Cb 0.11 -1.79 1.47 0.00 0.10 0.00 0.00 66.02 65.90 3gn1 s SER 246 CO 0.66 -1.57 1.84 1.23 0.98 0.00 0.00 173.24 176.38 3gn1 h GLY 247 N -0.81 0.00 1.45 7.32 0.00 -1.91 -1.37 103.07 107.74 3gn1 h GLY 247 Ca -0.46 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.87 3gn1 h GLY 247 CO 0.64 0.00 0.00 1.44 0.00 0.00 0.00 176.54 178.62 3gn1 n SER 248 N -2.47 0.00 -0.24 0.19 7.64 -1.26 -3.27 113.62 114.21 3gn1 n SER 248 Ca -0.01 -0.31 0.08 0.00 1.01 0.00 0.00 58.87 59.63 3gn1 n SER 248 Cb 0.07 -0.23 0.14 0.00 -1.01 0.00 0.00 64.21 63.18 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 -1.23 2.49 0.18 -0.43 0.00 -0.52 -4.85 120.51 116.15 3gn1 n ALA 249 Ca 0.16 -2.59 0.12 0.00 0.00 0.00 0.00 53.44 51.13 3gn1 n ALA 249 Cb 0.21 -0.39 0.65 0.00 0.00 0.00 0.00 19.45 19.91 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 0.20 0.00 -0.25 0.00 1.08 -1.64 -0.11 115.11 114.40 3gn1 h GLN 250 Ca -0.01 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.19 3gn1 h GLN 250 Cb 1.06 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.49 3gn1 h GLN 250 CO 0.00 0.00 0.00 0.98 -0.95 0.00 0.00 178.83 178.86 3gn1 n TYR 251 N -2.33 0.32 -3.41 2.96 9.36 -1.26 -4.95 117.16 117.85 3gn1 n TYR 251 Ca -0.02 -0.30 -0.40 0.00 3.32 0.00 0.00 57.90 60.50 3gn1 n TYR 251 Cb 0.04 -0.01 -0.09 0.00 -0.63 0.00 0.00 39.34 38.64 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 -1.03 5.17 -0.07 2.97 1.01 -0.05 -5.04 121.20 124.17 3gn1 s ILE 252 Ca 0.22 0.19 -0.12 0.00 0.00 0.00 0.00 60.65 60.94 3gn1 s ILE 252 Cb 0.13 -3.78 0.02 0.00 0.01 0.00 0.00 42.46 38.84 3gn1 s ILE 252 CO 0.17 -0.02 0.29 0.28 0.00 0.00 0.00 174.94 175.67 3gn1 s THR 253 N 2.03 0.03 -0.56 2.92 -1.32 -1.26 -4.70 115.64 112.78 3gn1 s THR 253 Ca 0.12 -0.24 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 3gn1 s THR 253 Cb -0.16 -0.50 0.00 0.00 -1.51 0.00 0.00 72.50 70.32 3gn1 s THR 253 CO 0.11 -0.13 0.00 0.61 -2.21 0.00 0.00 174.62 173.00 3gn1 n GLY 254 N 2.16 0.74 3.87 6.08 0.00 0.15 -4.95 105.19 113.24 3gn1 n GLY 254 Ca -0.17 -0.32 -0.37 0.00 0.00 0.00 0.00 46.02 45.16 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 -2.49 6.50 -0.25 1.61 0.01 -1.26 -4.85 113.70 112.98 3gn1 s SER 255 Ca 0.00 0.59 0.02 0.00 1.31 0.00 0.00 55.95 57.87 3gn1 s SER 255 Cb 0.00 -2.11 0.06 0.00 0.21 0.00 0.00 66.02 64.18 3gn1 s SER 255 CO 0.00 0.35 -0.10 -0.63 0.41 0.00 0.00 173.24 173.27 3gn1 s ILE 256 N -1.11 1.96 -0.32 1.44 1.01 -1.26 0.08 121.20 123.00 3gn1 s ILE 256 Ca 0.20 -1.45 -0.19 0.00 0.00 0.00 0.00 60.65 59.20 3gn1 s ILE 256 Cb -0.13 -2.09 -0.01 0.00 0.01 0.00 0.00 42.46 40.24 3gn1 s ILE 256 CO 0.09 -0.01 0.58 -0.63 0.00 0.00 0.00 174.94 174.98 3gn1 s ILE 257 N 1.21 4.97 0.06 2.92 1.01 -0.12 -4.89 121.20 126.36 3gn1 s ILE 257 Ca -0.07 0.66 -0.31 0.00 0.00 0.00 0.00 60.65 60.94 3gn1 s ILE 257 Cb -0.19 -3.98 -0.06 0.00 0.01 0.00 0.00 42.46 38.24 3gn1 s ILE 257 CO -0.06 -0.16 1.27 -0.75 0.00 0.00 0.00 174.94 175.23 3gn1 s LYS 258 N 2.53 4.38 -0.60 2.79 2.20 -1.26 -0.19 119.74 129.59 3gn1 s LYS 258 Ca 0.23 1.86 0.05 0.00 -0.36 0.00 0.00 55.97 57.75 3gn1 s LYS 258 Cb -0.15 -3.35 0.18 0.00 -1.51 0.00 0.00 37.83 33.00 3gn1 s LYS 258 CO 0.12 -0.34 0.48 0.28 -0.36 0.00 0.00 175.35 175.53 3gn1 n VAL 259 N 4.03 0.74 -0.66 4.02 0.31 -0.01 -4.87 118.33 121.89 3gn1 n VAL 259 Ca 0.10 -4.43 0.00 0.00 -0.01 0.00 0.00 64.34 60.00 3gn1 n VAL 259 Cb 0.45 -2.01 0.00 0.00 -0.91 0.00 0.00 33.84 31.37 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 2.09 0.59 -1.25 4.52 5.75 -1.26 -3.17 116.55 123.81 3gn1 n ASP 260 Ca 0.24 -1.24 -0.16 0.00 -0.01 0.00 0.00 54.79 53.61 3gn1 n ASP 260 Cb 0.40 0.00 -0.07 0.00 -1.03 0.00 0.00 41.12 40.42 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 -0.12 1.59 1.39 6.12 0.00 -1.26 -1.69 105.19 111.21 3gn1 n GLY 261 Ca 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.43 0.72 0.18 -0.02 0.00 -1.26 -1.53 105.19 102.85 3gn1 n GLY 262 Ca -0.16 0.00 -0.05 0.00 0.00 0.00 0.00 46.02 45.81 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 0.21 -1.02 0.99 5.85 -1.63 -1.91 115.31 117.81 3gn1 h LEU 263 Ca 0.00 0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.76 3gn1 h LEU 263 Cb 0.00 0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.04 3gn1 h LEU 263 CO 0.00 0.16 0.00 -1.54 -0.34 0.00 0.00 178.44 176.72 3gn1 n SER 264 N -4.98 0.47 -0.22 1.25 3.41 -1.26 -1.89 113.62 110.40 3gn1 n SER 264 Ca 0.03 0.69 0.12 0.00 -0.26 0.00 0.00 58.87 59.46 3gn1 n SER 264 Cb 0.15 -0.76 0.27 0.00 -0.26 0.00 0.00 64.21 63.60 3gn1 n SER 264 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 3gn1 n LEU 265 N -2.10 1.06 -4.60 1.04 4.77 -0.72 -4.87 117.00 111.59 3gn1 n LEU 265 Ca -0.00 -0.30 -0.41 0.00 -0.03 0.00 0.00 56.01 55.27 3gn1 n LEU 265 Cb 0.07 -0.12 -0.06 0.00 -2.33 0.00 0.00 43.42 40.97 3gn1 n LEU 265 CO 0.10 0.21 0.39 -0.69 -1.33 0.00 0.00 177.39 176.07 3gn1 s VAL 266 N -2.63 4.94 0.96 4.08 1.01 -0.79 -5.05 120.40 122.91 3gn1 s VAL 266 Ca 0.20 0.86 -0.11 0.00 0.00 0.00 0.00 61.98 62.93 3gn1 s VAL 266 Cb 0.19 -4.00 0.17 0.00 0.00 0.00 0.00 36.38 32.74 3gn1 s VAL 266 CO 0.59 -0.14 1.11 -1.38 0.00 0.00 0.00 175.10 175.28 3gn1 s HIS 267 N 2.61 1.63 -1.12 5.22 -3.43 -1.26 -5.09 115.29 113.86 3gn1 s HIS 267 Ca 0.25 1.63 0.00 0.00 -0.80 0.00 0.00 55.06 56.14 3gn1 s HIS 267 Cb -0.15 -3.26 0.00 0.00 -1.43 0.00 0.00 32.58 27.74 3gn1 s HIS 267 CO 0.12 -2.98 0.28 0.00 -2.00 0.00 0.00 174.74 170.15