#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 3.30 0.92 -1.84 0.00 -1.26 -5.05 121.76 117.82 3gn1 s ALA 3 Ca 0.00 0.70 -0.12 0.00 0.00 0.00 0.00 51.96 52.54 3gn1 s ALA 3 Cb 0.00 -3.34 0.14 0.00 0.00 0.00 0.00 23.12 19.92 3gn1 s ALA 3 CO 0.00 -0.18 1.12 -1.25 0.00 0.00 0.00 175.76 175.45 3gn1 s PRO 4 N 0.16 1.09 -0.01 0.00 0.04 -1.26 -4.81 135.00 130.21 3gn1 s PRO 4 Ca 0.50 0.39 0.02 0.00 0.04 0.00 0.00 61.00 61.95 3gn1 s PRO 4 Cb -0.26 -1.82 -0.00 0.00 0.04 0.00 0.00 34.50 32.45 3gn1 s PRO 4 CO 0.31 -2.25 -0.06 0.00 0.04 0.00 0.00 177.00 175.04 3gn1 s ALA 5 N -3.19 0.50 0.03 8.56 0.00 -1.26 -1.55 121.76 124.85 3gn1 s ALA 5 Ca 0.64 -0.25 0.07 0.00 0.00 0.00 0.00 51.96 52.41 3gn1 s ALA 5 Cb -0.16 -0.14 -0.02 0.00 0.00 0.00 0.00 23.12 22.81 3gn1 s ALA 5 CO 0.54 0.12 -0.19 0.00 0.00 0.00 0.00 175.76 176.23 3gn1 s ALA 6 N -0.10 1.62 -0.22 0.00 0.00 -0.08 -0.81 121.76 122.17 3gn1 s ALA 6 Ca 0.02 -0.97 -0.09 0.00 0.00 0.00 0.00 51.96 50.92 3gn1 s ALA 6 Cb -0.03 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.72 3gn1 s ALA 6 CO -0.00 0.36 0.11 0.08 0.00 0.00 0.00 175.76 176.32 3gn1 s VAL 7 N -0.73 5.03 -0.25 0.00 1.01 0.89 -0.75 120.40 125.60 3gn1 s VAL 7 Ca 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 61.98 62.11 3gn1 s VAL 7 Cb -0.08 -3.32 0.04 0.00 0.00 0.00 0.00 36.38 33.01 3gn1 s VAL 7 CO 0.01 0.38 -0.09 -0.69 0.00 0.00 0.00 175.10 174.72 3gn1 s VAL 8 N 0.89 2.59 0.46 2.92 1.01 -0.55 -0.16 120.40 127.56 3gn1 s VAL 8 Ca 0.06 -1.21 -0.20 0.00 0.00 0.00 0.00 61.98 60.63 3gn1 s VAL 8 Cb -0.13 -2.36 -0.10 0.00 0.00 0.00 0.00 36.38 33.79 3gn1 s VAL 8 CO 0.03 0.16 0.97 0.42 0.00 0.00 0.00 175.10 176.68 3gn1 s THR 9 N 1.26 4.34 -1.48 3.92 -4.23 -0.97 -1.25 115.64 117.22 3gn1 s THR 9 Ca -0.02 1.37 -0.07 0.00 -1.18 0.00 0.00 61.69 61.78 3gn1 s THR 9 Cb -0.17 -3.61 0.06 0.00 1.34 0.00 0.00 72.50 70.12 3gn1 s THR 9 CO -0.05 -0.40 0.69 0.61 -0.54 0.00 0.00 174.62 174.92 3gn1 n GLY 10 N -0.83 -0.35 0.70 3.99 0.00 -1.18 -2.98 105.19 104.54 3gn1 n GLY 10 Ca 0.07 0.15 0.11 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 -4.44 2.50 0.13 4.61 0.00 -0.34 -4.21 120.51 118.75 3gn1 n ALA 11 Ca -0.14 -0.62 -0.00 0.00 0.00 0.00 0.00 53.44 52.67 3gn1 n ALA 11 Cb 0.60 -1.03 0.12 0.00 0.00 0.00 0.00 19.45 19.14 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 4.21 0.78 -2.39 0.00 0.00 -1.88 -2.93 119.26 117.06 3gn1 h ALA 12 Ca 0.00 -0.58 -0.18 0.00 0.00 0.00 0.00 54.91 54.16 3gn1 h ALA 12 Cb 0.62 -0.10 -0.15 0.00 0.00 0.00 0.00 17.79 18.16 3gn1 h ALA 12 CO 0.00 0.79 -0.65 0.15 0.00 0.00 0.00 179.25 179.54 3gn1 s LYS 13 N -3.29 0.88 6.86 0.00 1.02 -1.26 -4.58 119.74 119.36 3gn1 s LYS 13 Ca 0.00 -1.41 0.00 0.00 0.02 0.00 0.00 55.97 54.59 3gn1 s LYS 13 Cb 0.11 0.21 0.00 0.00 -0.52 0.00 0.00 37.83 37.63 3gn1 s LYS 13 CO 0.75 -0.23 0.00 0.54 -0.92 0.00 0.00 175.35 175.50 3gn1 n ARG 14 N -0.07 0.00 -0.10 1.68 1.74 -1.26 -1.95 116.66 116.70 3gn1 n ARG 14 Ca -0.07 0.00 -0.14 0.00 -0.77 0.00 0.00 57.85 56.87 3gn1 n ARG 14 Cb 0.63 0.00 -0.03 0.00 -1.02 0.00 0.00 32.46 32.04 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 1.28 -0.58 0.55 2.04 -1.91 -2.49 117.51 116.40 3gn1 h ILE 15 Ca 0.00 -1.56 0.06 0.00 1.00 0.00 0.00 64.86 64.36 3gn1 h ILE 15 Cb 0.00 1.50 -0.05 0.00 -0.74 0.00 0.00 36.82 37.53 3gn1 h ILE 15 CO 0.00 0.51 0.28 1.23 0.00 0.00 0.00 178.15 180.18 3gn1 h GLY 16 N 0.63 0.83 0.97 5.37 0.00 -1.69 -0.47 103.07 108.71 3gn1 h GLY 16 Ca 0.05 -0.19 -0.01 0.00 0.00 0.00 0.00 47.33 47.18 3gn1 h GLY 16 CO 0.09 0.09 -0.05 -0.09 0.00 0.00 0.00 176.54 176.58 3gn1 h ARG 17 N 0.53 -0.14 -0.82 4.80 2.43 -1.19 -1.44 114.38 118.54 3gn1 h ARG 17 Ca 0.27 0.01 0.11 0.00 -0.81 0.00 0.00 59.98 59.56 3gn1 h ARG 17 Cb 0.21 0.03 -0.08 0.00 -0.42 0.00 0.00 29.97 29.72 3gn1 h ARG 17 CO -0.20 -0.07 0.45 0.00 -1.51 0.00 0.00 179.97 178.64 3gn1 h ALA 18 N 0.71 1.20 -0.18 2.80 0.00 -1.20 0.99 119.26 123.57 3gn1 h ALA 18 Ca -0.02 0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 3gn1 h ALA 18 Cb 0.14 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 3gn1 h ALA 18 CO 0.03 0.02 0.10 0.82 0.00 0.00 0.00 179.25 180.22 3gn1 h ILE 19 N 0.72 1.09 -0.47 0.00 2.04 -0.95 -1.17 117.51 118.76 3gn1 h ILE 19 Ca 0.42 -0.22 -0.00 0.00 1.00 0.00 0.00 64.86 66.05 3gn1 h ILE 19 Cb 0.47 0.92 -0.02 0.00 -0.74 0.00 0.00 36.82 37.44 3gn1 h ILE 19 CO -0.29 0.08 0.28 0.00 0.00 0.00 0.00 178.15 178.22 3gn1 h ALA 20 N 1.01 0.60 0.16 1.87 0.00 -0.71 0.12 119.26 122.32 3gn1 h ALA 20 Ca 0.06 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 3gn1 h ALA 20 Cb 0.04 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.64 3gn1 h ALA 20 CO -0.01 0.10 -0.08 0.28 0.00 0.00 0.00 179.25 179.54 3gn1 h VAL 21 N 0.63 0.86 -0.68 0.00 2.07 -0.77 -0.97 116.25 117.38 3gn1 h VAL 21 Ca 0.17 -0.10 0.02 0.00 0.82 0.00 0.00 66.70 67.61 3gn1 h VAL 21 Cb 0.01 0.92 -0.04 0.00 -1.52 0.00 0.00 31.29 30.66 3gn1 h VAL 21 CO -0.03 0.02 0.44 0.50 0.02 0.00 0.00 177.57 178.52 3gn1 h LYS 22 N -0.27 0.84 -0.30 1.57 3.64 -1.05 0.78 116.57 121.78 3gn1 h LYS 22 Ca -0.02 -0.05 0.04 0.00 -1.27 0.00 0.00 60.65 59.35 3gn1 h LYS 22 Cb 0.21 -0.19 -0.04 0.00 -0.41 0.00 0.00 32.23 31.80 3gn1 h LYS 22 CO 0.04 0.56 0.06 -0.07 -2.27 0.00 0.00 179.45 177.76 3gn1 h LEU 23 N 0.87 0.01 -0.38 5.20 3.38 -0.60 -0.91 115.31 122.87 3gn1 h LEU 23 Ca 0.27 0.05 0.03 0.00 0.09 0.00 0.00 57.88 58.32 3gn1 h LEU 23 Cb -0.03 0.07 -0.03 0.00 0.09 0.00 0.00 40.66 40.75 3gn1 h LEU 23 CO -0.09 0.04 0.17 -0.74 0.09 0.00 0.00 178.44 177.92 3gn1 h HIS 24 N 0.17 0.32 -0.56 1.13 2.76 -0.71 -1.47 115.15 116.78 3gn1 h HIS 24 Ca 0.14 0.02 0.03 0.00 -2.20 0.00 0.00 60.37 58.36 3gn1 h HIS 24 Cb 0.15 -0.09 -0.03 0.00 1.55 0.00 0.00 27.41 28.99 3gn1 h HIS 24 CO -0.17 0.16 0.37 1.96 -1.30 0.00 0.00 177.93 178.95 3gn1 h GLN 25 N 0.36 0.62 0.00 5.26 4.20 -0.59 -0.84 115.11 124.12 3gn1 h GLN 25 Ca 0.17 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.84 3gn1 h GLN 25 Cb 0.10 -0.14 0.00 0.00 0.30 0.00 0.00 27.48 27.74 3gn1 h GLN 25 CO -0.13 0.41 0.00 1.15 -0.67 0.00 0.00 178.83 179.59 3gn1 h THR 26 N 0.64 0.00 0.00 -0.54 2.02 -0.43 -3.47 112.91 111.13 3gn1 h THR 26 Ca 0.23 -0.39 0.00 0.00 0.77 0.00 0.00 66.41 67.02 3gn1 h THR 26 Cb 0.11 1.25 0.00 0.00 -1.74 0.00 0.00 68.15 67.77 3gn1 h THR 26 CO -0.06 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.44 3gn1 n GLY 27 N 0.33 0.94 3.78 2.16 0.00 -0.32 -5.09 105.19 106.99 3gn1 n GLY 27 Ca 0.03 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.68 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 -1.67 3.18 0.15 1.61 1.51 -0.62 -4.43 117.35 117.07 3gn1 s TYR 28 Ca 0.00 1.61 -0.21 0.00 -1.01 0.00 0.00 57.07 57.46 3gn1 s TYR 28 Cb 0.00 -3.20 -0.08 0.00 -0.11 0.00 0.00 41.96 38.57 3gn1 s TYR 28 CO 0.00 -0.86 0.68 1.03 -1.11 0.00 0.00 175.55 175.28 3gn1 s ARG 29 N -2.50 4.32 -0.02 -0.62 0.52 -0.60 -4.11 118.95 115.93 3gn1 s ARG 29 Ca 0.59 0.89 0.05 0.00 -0.52 0.00 0.00 55.73 56.74 3gn1 s ARG 29 Cb -0.24 -3.13 -0.01 0.00 0.52 0.00 0.00 34.95 32.09 3gn1 s ARG 29 CO 0.30 0.54 -0.18 0.14 0.02 0.00 0.00 175.30 176.12 3gn1 s VAL 30 N -1.26 1.43 -0.32 3.52 -7.23 -0.00 -0.90 120.40 115.63 3gn1 s VAL 30 Ca 0.36 -0.76 -0.14 0.00 -1.81 0.00 0.00 61.98 59.62 3gn1 s VAL 30 Cb -0.20 -1.19 -0.02 0.00 0.56 0.00 0.00 36.38 35.53 3gn1 s VAL 30 CO 0.22 0.40 0.32 -0.69 -0.31 0.00 0.00 175.10 175.04 3gn1 s VAL 31 N -0.33 5.21 -0.64 1.32 1.01 0.07 -1.30 120.40 125.74 3gn1 s VAL 31 Ca 0.05 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.94 3gn1 s VAL 31 Cb -0.08 -3.74 0.10 0.00 0.00 0.00 0.00 36.38 32.66 3gn1 s VAL 31 CO -0.00 0.01 0.82 -0.63 0.00 0.00 0.00 175.10 175.30 3gn1 s ILE 32 N 1.94 4.66 0.36 2.22 1.01 0.29 -1.48 121.20 130.21 3gn1 s ILE 32 Ca 0.11 -0.84 -0.19 0.00 0.00 0.00 0.00 60.65 59.73 3gn1 s ILE 32 Cb -0.16 -4.57 -0.10 0.00 0.01 0.00 0.00 42.46 37.63 3gn1 s ILE 32 CO 0.11 -1.26 0.85 -2.28 0.00 0.00 0.00 174.94 172.36 3gn1 s HIS 33 N 3.11 3.40 0.10 3.97 5.65 -0.38 -1.16 115.29 129.99 3gn1 s HIS 33 Ca 0.16 1.47 -0.13 0.00 0.25 0.00 0.00 55.06 56.81 3gn1 s HIS 33 Cb -0.20 -2.72 0.02 0.00 -1.18 0.00 0.00 32.58 28.49 3gn1 s HIS 33 CO 0.06 0.03 0.31 1.52 -0.65 0.00 0.00 174.74 176.02 3gn1 s TYR 34 N -2.00 -0.06 0.00 3.88 -0.85 -0.54 -1.20 117.35 116.57 3gn1 s TYR 34 Ca 0.56 -0.28 0.00 0.00 -0.52 0.00 0.00 57.07 56.83 3gn1 s TYR 34 Cb -0.11 0.13 0.00 0.00 0.38 0.00 0.00 41.96 42.36 3gn1 s TYR 34 CO 0.16 -0.63 0.00 1.58 -1.52 0.00 0.00 175.55 175.15 3gn1 n HIS 35 N -0.10 0.00 0.02 -3.49 -0.00 -1.26 -1.79 115.22 108.60 3gn1 n HIS 35 Ca -0.16 0.00 0.11 0.00 -0.00 0.00 0.00 57.72 57.67 3gn1 n HIS 35 Cb 0.63 0.00 -0.13 0.00 -0.00 0.00 0.00 29.99 30.49 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 -2.42 0.21 -3.45 0.26 3.02 -1.26 -4.73 115.26 106.90 3gn1 n ASN 36 Ca 0.00 0.08 -0.40 0.00 -0.03 0.00 0.00 54.58 54.24 3gn1 n ASN 36 Cb 0.00 1.59 0.01 0.00 -0.61 0.00 0.00 39.78 40.76 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 -2.38 7.61 -0.20 6.41 7.64 -1.26 -4.75 113.62 126.68 3gn1 n SER 37 Ca -0.04 -3.44 -0.08 0.00 1.01 0.00 0.00 58.87 56.32 3gn1 n SER 37 Cb 0.58 -1.25 0.02 0.00 -1.01 0.00 0.00 64.21 62.56 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 4.20 0.74 -0.16 -0.43 0.00 -1.96 -1.28 119.26 120.38 3gn1 h ALA 38 Ca 0.60 -0.17 -0.00 0.00 0.00 0.00 0.00 54.91 55.34 3gn1 h ALA 38 Cb 0.32 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.88 3gn1 h ALA 38 CO 1.30 0.36 0.09 1.49 0.00 0.00 0.00 179.25 182.50 3gn1 h GLU 39 N 0.79 0.21 -0.60 0.00 4.81 -2.00 -1.71 114.58 116.08 3gn1 h GLU 39 Ca 0.19 -0.02 -0.04 0.00 -0.13 0.00 0.00 59.36 59.36 3gn1 h GLU 39 Cb 0.22 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.52 3gn1 h GLU 39 CO -0.01 0.19 0.22 0.00 -0.73 0.00 0.00 179.01 178.68 3gn1 h ALA 40 N 1.01 1.26 -0.03 2.92 0.00 -1.89 -0.75 119.26 121.78 3gn1 h ALA 40 Ca 0.06 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.79 3gn1 h ALA 40 Cb 0.03 -0.24 -0.00 0.00 0.00 0.00 0.00 17.79 17.58 3gn1 h ALA 40 CO -0.01 0.54 -0.01 0.00 0.00 0.00 0.00 179.25 179.77 3gn1 h ALA 41 N 1.37 0.05 -0.66 0.00 0.00 -1.00 -0.98 119.26 118.04 3gn1 h ALA 41 Ca 0.20 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 54.87 3gn1 h ALA 41 Cb 0.20 -0.01 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 3gn1 h ALA 41 CO -0.02 -0.24 0.27 0.28 0.00 0.00 0.00 179.25 179.54 3gn1 h VAL 42 N -0.31 1.23 -0.77 0.00 2.07 -1.30 0.10 116.25 117.27 3gn1 h VAL 42 Ca 0.01 -0.69 -0.00 0.00 0.82 0.00 0.00 66.70 66.83 3gn1 h VAL 42 Cb 0.41 0.43 -0.04 0.00 -1.52 0.00 0.00 31.29 30.57 3gn1 h VAL 42 CO 0.00 0.28 0.47 -1.28 0.02 0.00 0.00 177.57 177.06 3gn1 h SER 43 N 0.94 0.92 -0.08 0.57 0.87 -0.99 0.13 113.55 115.91 3gn1 h SER 43 Ca 0.22 -0.06 -0.00 0.00 -1.23 0.00 0.00 61.79 60.72 3gn1 h SER 43 Cb 0.17 -0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 61.89 3gn1 h SER 43 CO -0.02 0.71 0.03 0.25 -0.53 0.00 0.00 176.83 177.26 3gn1 h LEU 44 N 1.05 0.11 -0.76 2.23 5.85 -0.67 -2.63 115.31 120.49 3gn1 h LEU 44 Ca 0.28 -0.17 0.04 0.00 0.84 0.00 0.00 57.88 58.86 3gn1 h LEU 44 Cb -0.05 -0.03 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 3gn1 h LEU 44 CO -0.05 0.25 0.47 0.00 -0.34 0.00 0.00 178.44 178.77 3gn1 h ALA 45 N 0.86 1.01 -0.52 1.25 0.00 -0.71 -0.94 119.26 120.20 3gn1 h ALA 45 Ca 0.03 -0.02 0.02 0.00 0.00 0.00 0.00 54.91 54.94 3gn1 h ALA 45 Cb 0.18 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 3gn1 h ALA 45 CO -0.00 0.24 0.31 -0.44 0.00 0.00 0.00 179.25 179.36 3gn1 h ASP 46 N 0.90 0.51 -0.26 0.00 3.32 -0.67 0.18 116.42 120.40 3gn1 h ASP 46 Ca 0.32 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 57.34 3gn1 h ASP 46 Cb 0.07 -0.11 -0.01 0.00 0.22 0.00 0.00 39.33 39.50 3gn1 h ASP 46 CO -0.13 0.36 0.04 -0.08 -1.72 0.00 0.00 179.24 177.71 3gn1 h GLU 47 N 0.63 0.44 -0.68 3.56 4.81 -1.06 -0.64 114.58 121.64 3gn1 h GLU 47 Ca 0.21 -0.12 -0.04 0.00 -0.13 0.00 0.00 59.36 59.27 3gn1 h GLU 47 Cb 0.01 -0.05 -0.03 0.00 0.63 0.00 0.00 28.75 29.31 3gn1 h GLU 47 CO -0.09 0.56 0.25 -0.07 -0.73 0.00 0.00 179.01 178.93 3gn1 h LEU 48 N 0.25 0.96 -0.66 1.64 3.38 -0.93 -2.76 115.31 117.19 3gn1 h LEU 48 Ca 0.08 -0.19 -0.13 0.00 0.09 0.00 0.00 57.88 57.73 3gn1 h LEU 48 Cb 0.34 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.82 3gn1 h LEU 48 CO 0.01 0.89 -0.63 0.78 0.09 0.00 0.00 178.44 179.57 3gn1 h ASN 49 N 0.97 0.00 -0.87 -0.43 2.35 -0.55 -1.99 115.58 115.07 3gn1 h ASN 49 Ca 0.22 0.00 0.04 0.00 -0.55 0.00 0.00 56.30 56.01 3gn1 h ASN 49 Cb 0.24 0.00 -0.05 0.00 0.05 0.00 0.00 38.32 38.56 3gn1 h ASN 49 CO -0.01 0.63 0.56 0.50 -1.65 0.00 0.00 177.43 177.46 3gn1 h LYS 50 N 0.00 1.05 0.26 0.81 3.64 -1.06 -2.85 116.57 118.41 3gn1 h LYS 50 Ca -0.01 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.30 3gn1 h LYS 50 Cb 1.17 -0.24 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 3gn1 h LYS 50 CO 0.08 0.70 -0.12 1.49 -2.27 0.00 0.00 179.45 179.33 3gn1 h GLU 51 N 1.08 -0.33 -3.48 1.90 4.57 -1.18 -3.44 114.58 113.71 3gn1 h GLU 51 Ca 0.35 0.02 -0.36 0.00 -1.18 0.00 0.00 59.36 58.20 3gn1 h GLU 51 Cb 0.02 0.08 -0.37 0.00 -0.16 0.00 0.00 28.75 28.32 3gn1 h GLU 51 CO -0.12 -0.04 -0.74 1.03 -1.18 0.00 0.00 179.01 177.96 3gn1 s ARG 52 N -4.95 0.08 0.26 1.92 0.52 -0.78 -5.13 118.95 110.88 3gn1 s ARG 52 Ca -0.15 0.25 -0.31 0.00 -0.52 0.00 0.00 55.73 55.01 3gn1 s ARG 52 Cb 0.03 -0.51 -0.13 0.00 0.52 0.00 0.00 34.95 34.86 3gn1 s ARG 52 CO 0.59 -0.26 1.51 0.43 0.02 0.00 0.00 175.30 177.59 3gn1 n SER 53 N 4.85 3.30 -3.71 0.23 7.64 -1.09 -3.33 113.62 121.51 3gn1 n SER 53 Ca -0.13 1.14 -0.23 0.00 1.01 0.00 0.00 58.87 60.66 3gn1 n SER 53 Cb 0.50 -1.51 0.04 0.00 -1.01 0.00 0.00 64.21 62.24 3gn1 n SER 53 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 3gn1 n ASN 54 N 2.31 -2.31 -0.11 6.43 4.13 -1.26 -4.90 115.26 119.55 3gn1 n ASN 54 Ca 0.11 -0.77 0.01 0.00 1.68 0.00 0.00 54.58 55.61 3gn1 n ASN 54 Cb 0.34 -4.20 0.03 0.00 -1.54 0.00 0.00 39.78 34.41 3gn1 n ASN 54 CO 0.00 0.00 0.00 0.35 0.28 0.00 0.00 177.26 177.89 3gn1 n THR 55 N -4.39 1.04 -3.69 3.41 -2.24 -1.21 -5.01 114.28 102.20 3gn1 n THR 55 Ca -0.21 -1.05 -0.10 0.00 -2.27 0.00 0.00 64.05 60.42 3gn1 n THR 55 Cb 0.64 0.47 -0.10 0.00 -2.10 0.00 0.00 70.33 69.23 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 -1.18 0.15 6.98 0.00 -1.26 -0.82 121.76 124.54 3gn1 s ALA 56 Ca 0.05 1.67 0.05 0.00 0.00 0.00 0.00 51.96 53.73 3gn1 s ALA 56 Cb 0.03 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.10 3gn1 s ALA 56 CO 0.03 -0.28 -0.12 0.14 0.00 0.00 0.00 175.76 175.52 3gn1 s VAL 57 N 1.42 1.30 0.19 0.00 -7.23 -0.42 -4.92 120.40 110.74 3gn1 s VAL 57 Ca -0.09 -1.96 0.05 0.00 -1.81 0.00 0.00 61.98 58.16 3gn1 s VAL 57 Cb -0.08 -1.76 -0.04 0.00 0.56 0.00 0.00 36.38 35.06 3gn1 s VAL 57 CO -0.14 -0.62 0.19 0.68 -0.31 0.00 0.00 175.10 174.91 3gn1 s VAL 58 N -2.87 4.69 -0.13 1.32 -7.23 -1.26 -0.55 120.40 114.37 3gn1 s VAL 58 Ca 0.15 -1.08 -0.04 0.00 -1.81 0.00 0.00 61.98 59.20 3gn1 s VAL 58 Cb -0.00 -3.44 0.06 0.00 0.56 0.00 0.00 36.38 33.56 3gn1 s VAL 58 CO 0.02 -0.18 0.25 0.00 -0.31 0.00 0.00 175.10 174.88 3gn1 s GLN 60 N 2.40 4.30 -0.28 0.00 -0.44 -1.26 -1.47 119.66 122.91 3gn1 s GLN 60 Ca 0.02 0.73 -0.24 0.00 -2.50 0.00 0.00 55.36 53.37 3gn1 s GLN 60 Cb -0.12 -3.33 0.10 0.00 -1.64 0.00 0.00 33.01 28.01 3gn1 s GLN 60 CO -0.08 0.40 0.88 0.00 0.50 0.00 0.00 175.29 176.98 3gn1 s ALA 61 N -0.29 -1.89 -0.03 1.58 0.00 -0.74 -4.96 121.76 115.42 3gn1 s ALA 61 Ca 0.31 1.98 -0.30 0.00 0.00 0.00 0.00 51.96 53.95 3gn1 s ALA 61 Cb -0.18 -1.33 -0.03 0.00 0.00 0.00 0.00 23.12 21.58 3gn1 s ALA 61 CO 0.17 -0.29 1.02 0.34 0.00 0.00 0.00 175.76 177.00 3gn1 s ASP 62 N 0.40 7.28 -0.02 0.00 -1.08 -1.26 -4.23 116.67 117.77 3gn1 s ASP 62 Ca 0.01 1.66 0.19 0.00 -0.52 0.00 0.00 52.55 53.88 3gn1 s ASP 62 Cb -0.05 -2.57 0.57 0.00 -1.46 0.00 0.00 42.92 39.41 3gn1 s ASP 62 CO -0.04 -0.36 1.48 0.18 0.52 0.00 0.00 175.17 176.95 3gn1 n LEU 63 N 4.36 3.80 -4.70 -1.34 4.77 -1.26 -4.93 117.00 117.70 3gn1 n LEU 63 Ca 0.07 -2.08 -0.43 0.00 -0.03 0.00 0.00 56.01 53.55 3gn1 n LEU 63 Cb 0.50 -0.44 -0.01 0.00 -2.33 0.00 0.00 43.42 41.13 3gn1 n LEU 63 CO 0.52 0.90 1.00 0.41 -1.33 0.00 0.00 177.39 178.89 3gn1 n THR 64 N 1.26 1.53 -2.01 -5.08 -1.04 -1.26 -2.89 114.28 104.78 3gn1 n THR 64 Ca 0.21 -0.38 -0.40 0.00 -2.04 0.00 0.00 64.05 61.44 3gn1 n THR 64 Cb 0.61 -1.62 -0.01 0.00 -1.82 0.00 0.00 70.33 67.49 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 0.00 6.43 0.15 8.00 2.47 -0.30 -4.70 114.94 127.00 3gn1 s ASN 65 Ca 0.60 2.75 -0.24 0.00 0.42 0.00 0.00 52.86 56.40 3gn1 s ASN 65 Cb -0.58 -2.65 0.08 0.00 -1.45 0.00 0.00 41.25 36.65 3gn1 s ASN 65 CO 0.56 -0.78 1.05 -0.94 -3.72 0.00 0.00 177.10 173.28 3gn1 s SER 66 N -0.54 -0.03 0.55 -4.21 1.04 -1.26 -4.84 113.70 104.41 3gn1 s SER 66 Ca 0.54 -0.56 0.25 0.00 0.48 0.00 0.00 55.95 56.66 3gn1 s SER 66 Cb -0.40 0.46 1.48 0.00 0.10 0.00 0.00 66.02 67.65 3gn1 s SER 66 CO 0.53 -0.89 2.07 -0.55 0.98 0.00 0.00 173.24 175.38 3gn1 h ASN 67 N 2.00 0.00 0.15 7.02 -1.07 -2.05 -2.62 115.58 119.00 3gn1 h ASN 67 Ca -0.27 0.00 0.00 0.00 0.07 0.00 0.00 56.30 56.10 3gn1 h ASN 67 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 3gn1 h ASN 67 CO 0.33 0.00 -0.58 1.33 0.07 0.00 0.00 177.43 178.58 3gn1 n VAL 68 N -4.16 0.00 -0.19 6.14 0.24 -1.26 -4.53 118.33 114.56 3gn1 n VAL 68 Ca 0.04 -0.10 -0.00 0.00 -2.04 0.00 0.00 64.34 62.23 3gn1 n VAL 68 Cb 0.38 0.79 0.10 0.00 -1.47 0.00 0.00 33.84 33.64 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 0.99 0.12 -0.65 1.34 5.85 -1.74 -1.73 115.31 119.49 3gn1 h LEU 69 Ca 0.00 0.09 0.06 0.00 0.84 0.00 0.00 57.88 58.87 3gn1 h LEU 69 Cb 0.58 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.65 3gn1 h LEU 69 CO 0.00 0.08 0.35 -0.65 -0.34 0.00 0.00 178.44 177.88 3gn1 h PRO 70 N 0.33 0.63 -0.52 5.25 0.11 -1.80 0.25 132.00 136.25 3gn1 h PRO 70 Ca 0.30 -0.04 0.03 0.00 0.11 0.00 0.00 66.00 66.40 3gn1 h PRO 70 Cb 0.41 -0.14 -0.04 0.00 0.11 0.00 0.00 31.00 31.34 3gn1 h PRO 70 CO -0.34 0.42 0.31 0.00 -0.21 0.00 0.00 178.00 178.18 3gn1 h ALA 71 N 1.35 0.67 -0.71 -0.75 0.00 -1.81 0.18 119.26 118.19 3gn1 h ALA 71 Ca 0.29 -0.01 0.04 0.00 0.00 0.00 0.00 54.91 55.24 3gn1 h ALA 71 Cb 0.20 -0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.79 3gn1 h ALA 71 CO -0.19 0.01 0.43 0.77 0.00 0.00 0.00 179.25 180.27 3gn1 h SER 72 N 0.61 0.68 -0.41 0.00 0.02 -0.60 -1.64 113.55 112.21 3gn1 h SER 72 Ca 0.21 0.01 -0.15 0.00 -0.84 0.00 0.00 61.79 61.03 3gn1 h SER 72 Cb 0.03 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.43 3gn1 h SER 72 CO -0.10 0.46 -0.31 0.00 -1.14 0.00 0.00 176.83 175.74 3gn1 h GLU 74 N 0.76 1.05 -0.01 0.00 4.81 -0.70 -2.80 114.58 117.70 3gn1 h GLU 74 Ca 0.08 -0.06 -0.18 0.00 -0.13 0.00 0.00 59.36 59.07 3gn1 h GLU 74 Cb 0.90 -0.24 -0.01 0.00 0.63 0.00 0.00 28.75 30.03 3gn1 h GLU 74 CO 0.08 0.69 -0.80 1.49 -0.73 0.00 0.00 179.01 179.74 3gn1 h GLU 75 N 1.08 0.15 -0.37 1.92 4.57 -1.05 -0.04 114.58 120.85 3gn1 h GLU 75 Ca 0.38 -0.15 -0.00 0.00 -1.18 0.00 0.00 59.36 58.40 3gn1 h GLU 75 Cb 0.12 0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 28.73 3gn1 h GLU 75 CO -0.13 0.87 0.21 0.82 -1.18 0.00 0.00 179.01 179.60 3gn1 h ILE 76 N 0.09 1.13 -0.22 2.32 2.04 -1.10 0.57 117.51 122.35 3gn1 h ILE 76 Ca -0.03 -0.33 -0.02 0.00 1.00 0.00 0.00 64.86 65.48 3gn1 h ILE 76 Cb 1.40 0.69 -0.01 0.00 -0.74 0.00 0.00 36.82 38.16 3gn1 h ILE 76 CO 0.12 0.14 0.05 0.40 0.00 0.00 0.00 178.15 178.86 3gn1 h ILE 77 N 0.47 1.21 -0.95 -0.67 1.08 -1.35 -2.88 117.51 114.42 3gn1 h ILE 77 Ca 0.13 -0.68 0.11 0.00 -0.39 0.00 0.00 64.86 64.03 3gn1 h ILE 77 Cb 0.03 1.24 -0.07 0.00 -3.07 0.00 0.00 36.82 34.95 3gn1 h ILE 77 CO -0.02 0.21 0.61 0.78 -0.69 0.00 0.00 178.15 179.04 3gn1 h ASN 78 N 0.17 0.87 0.36 1.72 2.35 -0.95 -1.74 115.58 118.36 3gn1 h ASN 78 Ca 0.07 0.03 -0.06 0.00 -0.55 0.00 0.00 56.30 55.80 3gn1 h ASN 78 Cb 0.28 -0.14 -0.01 0.00 0.05 0.00 0.00 38.32 38.49 3gn1 h ASN 78 CO 0.00 0.49 -0.26 0.77 -1.65 0.00 0.00 177.43 176.77 3gn1 h SER 79 N 0.94 0.00 -0.07 5.81 4.64 -0.66 0.11 113.55 124.32 3gn1 h SER 79 Ca 0.45 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.75 3gn1 h SER 79 Cb 0.45 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 3gn1 h SER 79 CO -0.22 0.26 -0.05 0.00 -0.87 0.00 0.00 176.83 175.96 3gn1 h PHE 81 N -0.25 0.83 0.08 0.00 -1.00 -1.17 0.42 116.94 115.85 3gn1 h PHE 81 Ca 0.01 0.02 0.01 0.00 2.81 0.00 0.00 57.97 60.83 3gn1 h PHE 81 Cb 0.52 -0.27 -0.02 0.00 3.61 0.00 0.00 35.95 39.79 3gn1 h PHE 81 CO 0.08 0.46 -0.12 -0.09 -1.61 0.00 0.00 178.31 177.04 3gn1 h ARG 82 N 0.86 -0.23 -0.27 1.51 2.43 -0.82 0.29 114.38 118.15 3gn1 h ARG 82 Ca 0.29 0.02 -0.11 0.00 -0.81 0.00 0.00 59.98 59.37 3gn1 h ARG 82 Cb 0.05 0.05 -0.00 0.00 -0.42 0.00 0.00 29.97 29.65 3gn1 h ARG 82 CO -0.12 -0.15 -0.26 0.00 -1.51 0.00 0.00 179.97 177.92 3gn1 h ALA 83 N 0.66 0.39 0.00 2.80 0.00 -1.21 -3.40 119.26 118.51 3gn1 h ALA 83 Ca 0.02 -0.39 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3gn1 h ALA 83 Cb 0.25 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.95 3gn1 h ALA 83 CO -0.06 0.39 -0.08 1.19 0.00 0.00 0.00 179.25 180.68 3gn1 n PHE 84 N -4.31 0.00 -0.76 0.00 0.99 0.13 -5.02 117.46 108.49 3gn1 n PHE 84 Ca -0.04 0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.41 3gn1 n PHE 84 Cb 0.45 0.00 0.00 0.00 -1.00 0.00 0.00 39.48 38.93 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 0.86 0.74 3.55 1.37 0.00 1.00 -4.98 105.19 107.73 3gn1 n GLY 85 Ca 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 45.94 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 -0.24 1.02 -0.26 1.61 1.70 -1.26 -4.94 118.95 116.58 3gn1 s ARG 86 Ca 0.00 -0.43 -0.01 0.00 -0.47 0.00 0.00 55.73 54.82 3gn1 s ARG 86 Cb 0.00 0.43 0.13 0.00 -0.57 0.00 0.00 34.95 34.94 3gn1 s ARG 86 CO 0.00 -0.45 0.32 0.00 -1.08 0.00 0.00 175.30 174.09 3gn1 n ASP 88 N 5.33 0.80 -3.91 0.00 9.92 0.01 -4.97 116.55 123.74 3gn1 n ASP 88 Ca -0.03 0.14 -0.19 0.00 -0.53 0.00 0.00 54.79 54.19 3gn1 n ASP 88 Cb 0.49 0.24 -0.16 0.00 -0.64 0.00 0.00 41.12 41.05 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 0.49 -0.13 2.53 1.01 -0.93 -1.89 120.40 118.94 3gn1 s VAL 89 Ca -0.13 -0.14 0.02 0.00 0.00 0.00 0.00 61.98 61.73 3gn1 s VAL 89 Cb 0.07 -0.50 -0.00 0.00 0.00 0.00 0.00 36.38 35.95 3gn1 s VAL 89 CO 0.79 0.19 -0.19 -0.22 0.00 0.00 0.00 175.10 175.68 3gn1 s LEU 90 N 0.64 2.35 -0.27 3.92 2.96 -0.88 -0.08 118.68 127.33 3gn1 s LEU 90 Ca -0.08 -0.48 -0.03 0.00 -0.22 0.00 0.00 54.13 53.31 3gn1 s LEU 90 Cb -0.11 -1.51 0.02 0.00 0.50 0.00 0.00 46.19 45.09 3gn1 s LEU 90 CO -0.00 0.13 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.46 3gn1 s VAL 91 N 0.52 3.23 -0.81 1.68 1.01 0.77 -0.57 120.40 126.23 3gn1 s VAL 91 Ca -0.12 -0.93 -0.18 0.00 0.00 0.00 0.00 61.98 60.75 3gn1 s VAL 91 Cb -0.16 -2.66 0.14 0.00 0.00 0.00 0.00 36.38 33.69 3gn1 s VAL 91 CO 0.05 0.15 0.95 0.20 0.00 0.00 0.00 175.10 176.44 3gn1 s ASN 92 N 1.38 6.51 -0.09 3.32 0.01 0.53 -2.28 114.94 124.33 3gn1 s ASN 92 Ca 0.01 -1.93 0.02 0.00 -0.71 0.00 0.00 52.86 50.25 3gn1 s ASN 92 Cb -0.17 -2.34 -0.07 0.00 0.41 0.00 0.00 41.25 39.08 3gn1 s ASN 92 CO -0.02 -1.02 -0.05 -3.20 -1.51 0.00 0.00 177.10 171.29 3gn1 n ASN 93 N 6.13 3.28 -4.61 -1.22 5.15 -1.26 -0.75 115.26 121.99 3gn1 n ASN 93 Ca 0.12 -0.04 -0.42 0.00 -0.60 0.00 0.00 54.58 53.64 3gn1 n ASN 93 Cb 0.47 0.06 0.00 0.00 -0.53 0.00 0.00 39.78 39.78 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 -2.64 0.10 -3.52 5.20 0.00 -1.16 -4.88 120.51 113.61 3gn1 n ALA 94 Ca -0.15 0.28 -0.00 0.00 0.00 0.00 0.00 53.44 53.57 3gn1 n ALA 94 Cb 0.69 -2.07 -0.05 0.00 0.00 0.00 0.00 19.45 18.02 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 -0.66 -0.64 0.19 0.00 0.15 -1.26 -4.52 113.70 106.96 3gn1 s SER 95 Ca 0.61 0.93 -0.20 0.00 0.70 0.00 0.00 55.95 57.99 3gn1 s SER 95 Cb -0.60 1.58 -0.08 0.00 -1.71 0.00 0.00 66.02 65.21 3gn1 s SER 95 CO 0.58 -0.14 0.70 0.00 1.20 0.00 0.00 173.24 175.59 3gn1 s ALA 96 N 2.12 3.45 -0.25 5.45 0.00 -1.26 -5.05 121.76 126.22 3gn1 s ALA 96 Ca -0.05 0.16 -0.02 0.00 0.00 0.00 0.00 51.96 52.04 3gn1 s ALA 96 Cb -0.06 -2.80 0.14 0.00 0.00 0.00 0.00 23.12 20.40 3gn1 s ALA 96 CO -0.17 0.34 0.39 0.12 0.00 0.00 0.00 175.76 176.44 3gn1 s PHE 97 N -1.41 -0.88 -0.08 0.00 2.19 -1.26 -4.88 117.98 111.65 3gn1 s PHE 97 Ca 0.40 0.88 -0.32 0.00 0.33 0.00 0.00 56.93 58.22 3gn1 s PHE 97 Cb -0.18 0.05 0.12 0.00 -1.31 0.00 0.00 43.02 41.70 3gn1 s PHE 97 CO 0.21 -0.74 1.07 1.52 1.83 0.00 0.00 175.22 179.12 3gn1 s TYR 98 N 2.57 -0.21 0.57 10.12 -0.85 -1.26 -5.17 117.35 123.12 3gn1 s TYR 98 Ca 0.13 0.11 -0.14 0.00 -0.52 0.00 0.00 57.07 56.64 3gn1 s TYR 98 Cb -0.15 0.53 -0.05 0.00 0.38 0.00 0.00 41.96 42.67 3gn1 s TYR 98 CO -0.17 -0.38 1.02 -1.25 -1.52 0.00 0.00 175.55 173.25 3gn1 s PRO 99 N -2.75 3.66 -0.42 -3.49 0.04 -1.26 -4.69 135.00 126.10 3gn1 s PRO 99 Ca 0.08 0.94 0.04 0.00 0.04 0.00 0.00 61.00 62.11 3gn1 s PRO 99 Cb -0.01 -2.09 0.17 0.00 0.04 0.00 0.00 34.50 32.61 3gn1 s PRO 99 CO -0.06 -0.51 0.39 0.95 0.04 0.00 0.00 177.00 177.81 3gn1 s THR 100 N -2.78 0.10 0.43 1.26 -4.23 0.73 -4.99 115.64 106.16 3gn1 s THR 100 Ca 0.59 -2.29 -0.25 0.00 -1.18 0.00 0.00 61.69 58.55 3gn1 s THR 100 Cb -0.12 -1.04 -0.09 0.00 1.34 0.00 0.00 72.50 72.59 3gn1 s THR 100 CO 0.40 -1.02 1.32 -2.65 -0.54 0.00 0.00 174.62 172.13 3gn1 n PRO 101 N 2.98 2.03 0.19 3.99 -0.02 -1.23 -4.34 135.00 138.61 3gn1 n PRO 101 Ca 0.26 0.72 0.08 0.00 -2.02 0.00 0.00 63.50 62.55 3gn1 n PRO 101 Cb 0.48 -2.46 0.20 0.00 -0.02 0.00 0.00 33.50 31.71 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 2.16 0.00 -3.74 2.45 3.38 -2.01 -3.51 115.31 114.03 3gn1 h LEU 102 Ca -0.49 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 56.94 3gn1 h LEU 102 Cb 1.29 0.00 -0.42 0.00 0.09 0.00 0.00 40.66 41.62 3gn1 h LEU 102 CO 0.60 0.25 -0.75 0.52 0.09 0.00 0.00 178.44 179.15 3gn1 n VAL 103 N -3.21 2.56 -3.78 1.22 0.31 -1.26 -5.26 118.33 108.90 3gn1 n VAL 103 Ca 0.02 -4.15 -0.28 0.00 -0.01 0.00 0.00 64.34 59.92 3gn1 n VAL 103 Cb 0.58 -1.12 -0.11 0.00 -0.91 0.00 0.00 33.84 32.28 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 -0.73 3.77 3.76 2.92 0.00 -1.26 -5.19 105.19 108.47 3gn1 n GLY 113 Ca 0.44 -2.40 -0.40 0.00 0.00 0.00 0.00 46.02 43.66 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 -1.30 4.67 0.80 1.61 1.02 -1.26 -5.05 119.74 120.23 3gn1 s LYS 114 Ca 0.27 1.74 -0.12 0.00 0.02 0.00 0.00 55.97 57.89 3gn1 s LYS 114 Cb -0.01 -3.21 0.08 0.00 -0.52 0.00 0.00 37.83 34.16 3gn1 s LYS 114 CO -0.16 0.25 1.13 0.95 -0.92 0.00 0.00 175.35 176.59 3gn1 s THR 115 N -1.08 2.77 0.26 2.17 -4.23 -1.26 -4.88 115.64 109.40 3gn1 s THR 115 Ca 0.44 0.28 -0.04 0.00 -1.18 0.00 0.00 61.69 61.19 3gn1 s THR 115 Cb -0.31 -2.63 0.22 0.00 1.34 0.00 0.00 72.50 71.12 3gn1 s THR 115 CO 0.39 -0.30 1.89 1.62 -0.54 0.00 0.00 174.62 177.68 3gn1 h VAL 116 N -1.11 1.24 -0.14 2.29 3.04 -1.99 -1.94 116.25 117.63 3gn1 h VAL 116 Ca -0.44 -0.59 -0.06 0.00 -1.01 0.00 0.00 66.70 64.60 3gn1 h VAL 116 Cb 1.25 0.13 -0.01 0.00 -2.01 0.00 0.00 31.29 30.66 3gn1 h VAL 116 CO 0.48 0.27 -0.20 -0.33 -1.01 0.00 0.00 177.57 176.77 3gn1 h GLU 117 N 1.14 0.24 -0.26 4.17 4.39 -1.99 0.22 114.58 122.48 3gn1 h GLU 117 Ca 0.29 -0.07 -0.01 0.00 0.34 0.00 0.00 59.36 59.91 3gn1 h GLU 117 Cb 0.02 -0.03 -0.01 0.00 -0.10 0.00 0.00 28.75 28.63 3gn1 h GLU 117 CO -0.05 0.44 0.11 1.15 -1.16 0.00 0.00 179.01 179.51 3gn1 h THR 118 N 0.22 1.16 -0.50 1.13 2.02 -1.80 0.02 112.91 115.16 3gn1 h THR 118 Ca 0.04 -0.49 0.01 0.00 0.77 0.00 0.00 66.41 66.75 3gn1 h THR 118 Cb 0.49 0.99 -0.03 0.00 -1.74 0.00 0.00 68.15 67.87 3gn1 h THR 118 CO 0.03 0.17 0.32 1.56 0.37 0.00 0.00 175.52 177.96 3gn1 h GLN 119 N 0.28 0.62 -0.34 6.66 4.20 -0.74 0.13 115.11 125.92 3gn1 h GLN 119 Ca 0.09 -0.04 0.07 0.00 0.06 0.00 0.00 58.65 58.83 3gn1 h GLN 119 Cb 0.16 -0.14 -0.07 0.00 0.30 0.00 0.00 27.48 27.72 3gn1 h GLN 119 CO -0.01 0.41 -0.13 0.28 -0.67 0.00 0.00 178.83 178.71 3gn1 h VAL 120 N 0.64 0.56 -0.61 -0.54 2.07 -0.87 0.39 116.25 117.88 3gn1 h VAL 120 Ca 0.19 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.72 3gn1 h VAL 120 Cb -0.03 0.56 -0.03 0.00 -1.52 0.00 0.00 31.29 30.27 3gn1 h VAL 120 CO -0.06 0.00 0.40 0.00 0.02 0.00 0.00 177.57 177.93 3gn1 h ALA 121 N 1.23 0.78 0.01 1.67 0.00 -0.27 0.33 119.26 123.02 3gn1 h ALA 121 Ca 0.17 -0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 3gn1 h ALA 121 Cb 0.33 -0.24 0.00 0.00 0.00 0.00 0.00 17.79 17.88 3gn1 h ALA 121 CO -0.39 0.20 -0.01 0.93 0.00 0.00 0.00 179.25 179.98 3gn1 h GLU 122 N 0.82 -0.02 -0.05 0.00 5.08 -0.48 -0.46 114.58 119.47 3gn1 h GLU 122 Ca 0.23 0.00 -0.08 0.00 -1.00 0.00 0.00 59.36 58.51 3gn1 h GLU 122 Cb -0.07 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.18 3gn1 h GLU 122 CO -0.06 0.66 -0.29 -0.07 -1.00 0.00 0.00 179.01 178.25 3gn1 h LEU 123 N -0.72 0.34 -0.27 1.33 3.38 -0.19 -1.11 115.31 118.06 3gn1 h LEU 123 Ca -0.00 -0.67 -0.21 0.00 0.09 0.00 0.00 57.88 57.09 3gn1 h LEU 123 Cb 0.68 -0.10 0.00 0.00 0.09 0.00 0.00 40.66 41.33 3gn1 h LEU 123 CO 0.00 0.95 -0.83 0.40 0.09 0.00 0.00 178.44 179.06 3gn1 h ILE 124 N -0.25 1.37 0.74 1.22 1.08 -1.08 -3.06 117.51 117.52 3gn1 h ILE 124 Ca -0.02 -2.24 -0.04 0.00 -0.39 0.00 0.00 64.86 62.18 3gn1 h ILE 124 Cb 0.95 2.22 0.01 0.00 -3.07 0.00 0.00 36.82 36.93 3gn1 h ILE 124 CO 0.06 0.68 -0.35 1.23 -0.69 0.00 0.00 178.15 179.07 3gn1 h GLY 125 N 1.14 -1.03 1.00 5.37 0.00 -1.24 -0.96 103.07 107.35 3gn1 h GLY 125 Ca -0.06 0.38 -0.04 0.00 0.00 0.00 0.00 47.33 47.62 3gn1 h GLY 125 CO 0.15 -0.38 0.24 -0.91 0.00 0.00 0.00 176.54 175.64 3gn1 h THR 126 N -1.03 1.24 0.00 4.70 1.35 -1.06 0.30 112.91 118.41 3gn1 h THR 126 Ca -0.10 -0.75 0.00 0.00 -0.55 0.00 0.00 66.41 65.01 3gn1 h THR 126 Cb 0.77 0.56 0.00 0.00 -1.73 0.00 0.00 68.15 67.75 3gn1 h THR 126 CO 0.17 0.29 -0.31 0.78 -0.25 0.00 0.00 175.52 176.20 3gn1 h ASN 127 N 0.87 0.00 0.00 5.36 2.35 -1.57 -3.40 115.58 119.20 3gn1 h ASN 127 Ca 0.21 -0.02 0.00 0.00 -0.55 0.00 0.00 56.30 55.93 3gn1 h ASN 127 Cb 0.22 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.59 3gn1 h ASN 127 CO -0.01 0.01 0.00 0.00 -1.65 0.00 0.00 177.43 175.78 3gn1 n ALA 128 N -2.04 2.88 -0.05 -0.83 0.00 -0.47 -4.46 120.51 115.54 3gn1 n ALA 128 Ca 0.03 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.35 3gn1 n ALA 128 Cb 0.51 0.00 -0.07 0.00 0.00 0.00 0.00 19.45 19.89 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 1.30 -0.03 0.00 1.08 -1.09 -1.47 117.51 117.30 3gn1 h ILE 129 Ca 0.00 -1.06 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 3gn1 h ILE 129 Cb 0.00 1.70 -0.00 0.00 -3.07 0.00 0.00 36.82 35.45 3gn1 h ILE 129 CO 0.00 0.31 0.02 0.00 -0.69 0.00 0.00 178.15 177.79 3gn1 h ALA 130 N 0.68 0.04 -0.84 1.87 0.00 -1.18 0.19 119.26 120.02 3gn1 h ALA 130 Ca 0.03 -0.02 0.18 0.00 0.00 0.00 0.00 54.91 55.10 3gn1 h ALA 130 Cb 0.51 -0.01 -0.11 0.00 0.00 0.00 0.00 17.79 18.18 3gn1 h ALA 130 CO 0.02 -0.44 0.36 -1.35 0.00 0.00 0.00 179.25 177.83 3gn1 h PRO 131 N 0.01 0.43 -0.13 0.00 0.11 -1.76 0.32 132.00 130.99 3gn1 h PRO 131 Ca 0.01 -0.03 0.03 0.00 0.11 0.00 0.00 66.00 66.12 3gn1 h PRO 131 Cb 0.03 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 31.02 3gn1 h PRO 131 CO -0.00 0.29 -0.05 0.35 -0.21 0.00 0.00 178.00 178.38 3gn1 h PHE 132 N 0.45 -0.11 -0.52 0.65 3.57 -0.62 0.05 116.94 120.39 3gn1 h PHE 132 Ca 0.49 0.01 -0.09 0.00 3.53 0.00 0.00 57.97 61.91 3gn1 h PHE 132 Cb 0.82 0.07 -0.02 0.00 2.79 0.00 0.00 35.95 39.62 3gn1 h PHE 132 CO -0.15 -0.08 -0.01 -0.07 -2.23 0.00 0.00 178.31 175.77 3gn1 h LEU 133 N -0.03 0.92 -0.78 0.59 3.38 -0.14 -0.42 115.31 118.83 3gn1 h LEU 133 Ca 0.07 -0.31 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 3gn1 h LEU 133 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 3gn1 h LEU 133 CO -0.15 1.01 -0.05 -0.07 0.09 0.00 0.00 178.44 179.27 3gn1 h LEU 134 N 0.81 0.86 0.01 1.67 3.38 -0.34 -0.27 115.31 121.42 3gn1 h LEU 134 Ca 0.15 -0.24 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 3gn1 h LEU 134 Cb 0.55 -0.23 0.00 0.00 0.09 0.00 0.00 40.66 41.07 3gn1 h LEU 134 CO 0.03 0.95 -0.01 0.74 0.09 0.00 0.00 178.44 180.24 3gn1 h THR 135 N 0.80 1.03 -0.16 0.22 2.02 -0.75 0.23 112.91 116.30 3gn1 h THR 135 Ca 0.14 -0.12 0.05 0.00 0.77 0.00 0.00 66.41 67.25 3gn1 h THR 135 Cb 0.55 1.11 -0.07 0.00 -1.74 0.00 0.00 68.15 68.00 3gn1 h THR 135 CO 0.03 0.03 -0.38 0.24 0.37 0.00 0.00 175.52 175.82 3gn1 h MET 136 N -0.07 -0.42 -0.85 6.66 2.86 -0.89 -0.90 114.93 121.32 3gn1 h MET 136 Ca -0.00 0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.64 3gn1 h MET 136 Cb 0.06 0.10 -0.04 0.00 0.06 0.00 0.00 31.60 31.78 3gn1 h MET 136 CO 0.00 -0.28 0.44 0.77 1.06 0.00 0.00 176.91 178.91 3gn1 h SER 137 N -0.43 1.08 -0.05 1.22 0.02 -0.89 -0.23 113.55 114.27 3gn1 h SER 137 Ca 0.09 -0.12 0.02 0.00 -0.84 0.00 0.00 61.79 60.94 3gn1 h SER 137 Cb 0.59 -0.28 -0.02 0.00 0.14 0.00 0.00 62.40 62.84 3gn1 h SER 137 CO -0.40 0.89 -0.04 0.15 -1.14 0.00 0.00 176.83 176.29 3gn1 h PHE 138 N 1.20 -0.10 -0.45 3.45 3.57 -0.36 -2.40 116.94 121.85 3gn1 h PHE 138 Ca 0.30 0.01 -0.12 0.00 3.53 0.00 0.00 57.97 61.68 3gn1 h PHE 138 Cb 0.07 0.05 -0.01 0.00 2.79 0.00 0.00 35.95 38.85 3gn1 h PHE 138 CO 0.01 -0.07 -0.19 0.00 -2.23 0.00 0.00 178.31 175.84 3gn1 h ALA 139 N 1.00 0.63 -0.97 2.41 0.00 -1.06 -3.20 119.26 118.07 3gn1 h ALA 139 Ca 0.04 -0.37 0.08 0.00 0.00 0.00 0.00 54.91 54.66 3gn1 h ALA 139 Cb 0.10 -0.16 -0.07 0.00 0.00 0.00 0.00 17.79 17.67 3gn1 h ALA 139 CO -0.08 0.59 0.61 0.37 0.00 0.00 0.00 179.25 180.74 3gn1 h GLN 140 N 0.76 1.03 -0.02 0.00 5.75 -0.93 -2.44 115.11 119.26 3gn1 h GLN 140 Ca 0.10 -0.06 0.00 0.00 -0.15 0.00 0.00 58.65 58.54 3gn1 h GLN 140 Cb 0.75 -0.23 0.00 0.00 1.07 0.00 0.00 27.48 29.07 3gn1 h GLN 140 CO 0.06 0.68 0.00 0.54 -2.65 0.00 0.00 178.83 177.46 3gn1 n ARG 141 N -4.57 1.21 -1.07 1.69 5.12 -0.91 -5.10 116.66 113.03 3gn1 n ARG 141 Ca 0.16 -0.31 -0.04 0.00 -1.93 0.00 0.00 57.85 55.73 3gn1 n ARG 141 Cb 0.24 -1.44 0.02 0.00 -1.16 0.00 0.00 32.46 30.12 3gn1 n ARG 141 CO 0.00 0.00 0.00 1.04 -1.93 0.00 0.00 177.63 176.74 3gn1 n GLN 142 N -0.58 0.61 -1.15 5.56 1.13 -0.92 -5.04 117.38 117.00 3gn1 n GLN 142 Ca 0.20 -0.50 -0.06 0.00 -1.94 0.00 0.00 57.00 54.70 3gn1 n GLN 142 Cb 0.17 -0.10 -0.06 0.00 0.11 0.00 0.00 30.24 30.36 3gn1 n GLN 142 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 3gn1 n ASN 153 N -2.96 -1.75 -4.76 1.08 5.15 -1.26 -5.14 115.26 105.63 3gn1 n ASN 153 Ca 0.03 -1.21 -0.37 0.00 -0.60 0.00 0.00 54.58 52.43 3gn1 n ASN 153 Cb 0.10 -0.62 -0.07 0.00 -0.53 0.00 0.00 39.78 38.67 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 0.57 4.29 0.06 1.20 1.43 -1.26 -4.81 118.68 120.15 3gn1 s LEU 154 Ca 0.38 0.53 -0.19 0.00 -1.03 0.00 0.00 54.13 53.81 3gn1 s LEU 154 Cb -0.23 -2.33 0.04 0.00 0.03 0.00 0.00 46.19 43.71 3gn1 s LEU 154 CO 0.16 0.18 0.45 -0.94 0.23 0.00 0.00 176.35 176.43 3gn1 s SER 155 N 0.05 -0.34 -0.05 2.29 1.04 -0.79 -1.58 113.70 114.32 3gn1 s SER 155 Ca 0.16 0.02 0.04 0.00 0.48 0.00 0.00 55.95 56.66 3gn1 s SER 155 Cb -0.13 0.46 -0.02 0.00 0.10 0.00 0.00 66.02 66.42 3gn1 s SER 155 CO 0.04 -0.71 -0.16 -0.63 0.98 0.00 0.00 173.24 172.77 3gn1 s ILE 156 N -2.64 2.95 -0.14 -1.02 1.01 0.64 -2.07 121.20 119.93 3gn1 s ILE 156 Ca -0.04 -0.76 0.01 0.00 0.00 0.00 0.00 60.65 59.86 3gn1 s ILE 156 Cb -0.00 -2.15 0.02 0.00 0.01 0.00 0.00 42.46 40.34 3gn1 s ILE 156 CO -0.03 0.59 -0.17 -0.69 0.00 0.00 0.00 174.94 174.63 3gn1 s VAL 157 N -0.67 1.71 -0.22 2.92 1.01 0.27 -1.35 120.40 124.07 3gn1 s VAL 157 Ca 0.10 -0.75 -0.10 0.00 0.00 0.00 0.00 61.98 61.24 3gn1 s VAL 157 Cb -0.11 -1.56 -0.05 0.00 0.00 0.00 0.00 36.38 34.67 3gn1 s VAL 157 CO 0.01 0.48 0.13 0.20 0.00 0.00 0.00 175.10 175.92 3gn1 s ASN 158 N 1.15 6.01 -0.46 3.32 0.01 0.44 -0.35 114.94 125.06 3gn1 s ASN 158 Ca -0.02 0.11 -0.29 0.00 -0.71 0.00 0.00 52.86 51.96 3gn1 s ASN 158 Cb -0.14 -2.07 0.02 0.00 0.41 0.00 0.00 41.25 39.47 3gn1 s ASN 158 CO -0.06 0.10 1.30 -0.76 -1.51 0.00 0.00 177.10 176.17 3gn1 s LEU 159 N 0.83 3.58 0.00 0.60 2.01 0.07 -1.44 118.68 124.33 3gn1 s LEU 159 Ca 0.07 0.60 0.00 0.00 0.01 0.00 0.00 54.13 54.81 3gn1 s LEU 159 Cb -0.13 -3.49 0.00 0.00 0.01 0.00 0.00 46.19 42.59 3gn1 s LEU 159 CO 0.02 -1.39 0.00 0.00 1.01 0.00 0.00 176.35 175.99 3gn1 s ASP 161 N -0.70 -0.96 0.64 0.00 -1.08 -1.26 -4.27 116.67 109.03 3gn1 s ASP 161 Ca 0.00 1.15 0.39 0.00 -0.52 0.00 0.00 52.55 53.58 3gn1 s ASP 161 Cb 0.00 2.01 2.19 0.00 -1.46 0.00 0.00 42.92 45.66 3gn1 s ASP 161 CO 0.00 -0.24 2.32 0.00 0.52 0.00 0.00 175.17 177.77 3gn1 h ALA 162 N 8.04 1.16 -0.44 3.66 0.00 -1.24 -2.37 119.26 128.09 3gn1 h ALA 162 Ca -0.19 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.71 3gn1 h ALA 162 Cb 1.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.91 3gn1 h ALA 162 CO 0.17 0.01 0.00 -1.33 0.00 0.00 0.00 179.25 178.09 3gn1 n MET 163 N -3.32 3.50 -0.09 0.00 2.81 -1.26 -4.51 117.12 114.24 3gn1 n MET 163 Ca -0.03 -2.19 0.08 0.00 -1.81 0.00 0.00 57.70 53.75 3gn1 n MET 163 Cb 0.09 -1.93 0.44 0.00 -0.71 0.00 0.00 33.22 31.11 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 2.91 0.98 -0.00 2.03 -1.51 -1.83 -2.45 116.25 116.38 3gn1 h VAL 164 Ca 0.00 -0.19 0.00 0.00 -1.23 0.00 0.00 66.70 65.28 3gn1 h VAL 164 Cb 1.40 0.39 0.00 0.00 -2.13 0.00 0.00 31.29 30.95 3gn1 h VAL 164 CO 0.29 0.10 -0.21 0.47 -1.23 0.00 0.00 177.57 176.98 3gn1 n ASP 165 N -4.48 0.24 -3.23 4.19 8.00 -1.26 -4.25 116.55 115.76 3gn1 n ASP 165 Ca 0.08 0.11 -0.25 0.00 0.71 0.00 0.00 54.79 55.45 3gn1 n ASP 165 Cb 0.25 -0.16 -0.07 0.00 -0.02 0.00 0.00 41.12 41.12 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 -1.46 0.77 0.00 -1.24 3.00 -0.94 -5.27 117.38 112.24 3gn1 n GLN 166 Ca 0.07 -3.31 0.00 0.00 -0.01 0.00 0.00 57.00 53.75 3gn1 n GLN 166 Cb 0.33 -1.33 0.00 0.00 0.00 0.00 0.00 30.24 29.24 3gn1 n GLN 166 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.06 176.71 3gn1 n PRO 167 N 1.54 0.00 -4.59 -1.09 -0.04 -1.15 -4.89 135.00 124.78 3gn1 n PRO 167 Ca 0.23 0.00 -0.33 0.00 -0.04 0.00 0.00 63.50 63.35 3gn1 n PRO 167 Cb 0.52 0.00 -0.13 0.00 -0.04 0.00 0.00 33.50 33.85 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 3.34 -1.21 0.54 1.75 -1.26 -5.01 119.30 117.45 3gn1 s MET 169 Ca 0.00 -0.59 0.00 0.00 -1.25 0.00 0.00 55.69 53.85 3gn1 s MET 169 Cb 0.00 -2.73 0.00 0.00 2.84 0.00 0.00 34.83 34.94 3gn1 s MET 169 CO 0.00 0.34 0.00 0.00 -0.65 0.00 0.00 175.02 174.71 3gn1 n ALA 170 N 3.21 -0.27 -1.72 4.11 0.00 -1.26 -4.94 120.51 119.64 3gn1 n ALA 170 Ca -0.18 0.16 -0.28 0.00 0.00 0.00 0.00 53.44 53.14 3gn1 n ALA 170 Cb 0.53 -1.47 0.05 0.00 0.00 0.00 0.00 19.45 18.55 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 -3.26 2.91 0.02 0.00 3.01 -1.26 -0.20 117.46 118.68 3gn1 n PHE 171 Ca -0.14 -2.54 -0.11 0.00 1.01 0.00 0.00 57.45 55.67 3gn1 n PHE 171 Cb 0.50 -0.81 -0.05 0.00 -0.01 0.00 0.00 39.48 39.12 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 2.07 -1.01 -0.16 4.37 0.02 -1.93 -0.04 113.55 116.87 3gn1 h SER 172 Ca 0.47 0.14 0.00 0.00 -0.84 0.00 0.00 61.79 61.56 3gn1 h SER 172 Cb 1.24 0.42 -0.01 0.00 0.14 0.00 0.00 62.40 64.20 3gn1 h SER 172 CO 1.10 -0.37 0.10 -0.07 -1.14 0.00 0.00 176.83 176.45 3gn1 h LEU 173 N -0.43 0.18 -0.25 5.07 3.38 -1.90 0.41 115.31 121.78 3gn1 h LEU 173 Ca 0.08 -0.02 0.06 0.00 0.09 0.00 0.00 57.88 58.09 3gn1 h LEU 173 Cb 0.56 -0.05 -0.06 0.00 0.09 0.00 0.00 40.66 41.20 3gn1 h LEU 173 CO -0.33 0.14 -0.14 0.22 0.09 0.00 0.00 178.44 178.42 3gn1 h TYR 174 N 0.21 -0.35 -0.85 1.13 3.20 -1.80 0.07 116.97 118.57 3gn1 h TYR 174 Ca 0.06 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.95 3gn1 h TYR 174 Cb -0.01 0.19 -0.04 0.00 1.54 0.00 0.00 36.73 38.41 3gn1 h TYR 174 CO -0.06 -0.21 0.49 -0.97 -1.64 0.00 0.00 178.16 175.76 3gn1 h ASN 175 N -0.12 1.05 -0.75 -2.11 -0.00 -0.61 -0.72 115.58 112.32 3gn1 h ASN 175 Ca 0.13 -0.09 0.05 0.00 -0.00 0.00 0.00 56.30 56.40 3gn1 h ASN 175 Cb 0.32 -0.27 -0.05 0.00 -0.00 0.00 0.00 38.32 38.32 3gn1 h ASN 175 CO -0.32 0.83 0.45 0.24 -0.00 0.00 0.00 177.43 178.63 3gn1 h MET 176 N 1.18 0.81 -0.39 6.67 2.86 0.19 -0.64 114.93 125.62 3gn1 h MET 176 Ca 0.30 -0.05 -0.01 0.00 -2.06 0.00 0.00 59.70 57.88 3gn1 h MET 176 Cb -0.00 -0.18 -0.02 0.00 0.06 0.00 0.00 31.60 31.46 3gn1 h MET 176 CO -0.05 0.54 0.19 0.78 1.06 0.00 0.00 176.91 179.43 3gn1 h GLY 177 N 0.84 0.59 1.56 8.32 0.00 -0.10 0.26 103.07 114.53 3gn1 h GLY 177 Ca 0.32 -0.29 -0.17 0.00 0.00 0.00 0.00 47.33 47.20 3gn1 h GLY 177 CO -0.16 0.28 -0.61 0.50 0.00 0.00 0.00 176.54 176.54 3gn1 h LYS 178 N 0.49 0.46 -0.08 4.80 1.79 -1.03 -1.89 116.57 121.11 3gn1 h LYS 178 Ca 0.13 -0.32 0.00 0.00 -2.18 0.00 0.00 60.65 58.29 3gn1 h LYS 178 Cb 0.11 0.05 -0.00 0.00 -1.58 0.00 0.00 32.23 30.80 3gn1 h LYS 178 CO -0.02 0.93 0.05 0.45 -1.08 0.00 0.00 179.45 179.78 3gn1 h HIS 179 N 0.34 0.10 -0.70 -1.35 3.86 -0.94 -2.36 115.15 114.10 3gn1 h HIS 179 Ca -0.01 0.00 0.12 0.00 -1.16 0.00 0.00 60.37 59.32 3gn1 h HIS 179 Cb 1.16 -0.03 -0.05 0.00 1.06 0.00 0.00 27.41 29.55 3gn1 h HIS 179 CO 0.04 0.08 0.47 0.00 0.86 0.00 0.00 177.93 179.38 3gn1 h ALA 180 N 1.01 2.01 -0.58 2.45 0.00 -0.79 -2.22 119.26 121.13 3gn1 h ALA 180 Ca 0.03 -0.01 -0.09 0.00 0.00 0.00 0.00 54.91 54.84 3gn1 h ALA 180 Cb 0.01 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 17.69 3gn1 h ALA 180 CO -0.01 -0.17 -0.00 1.25 0.00 0.00 0.00 179.25 180.32 3gn1 h LEU 181 N 0.47 1.01 -0.21 0.00 5.85 -1.06 0.22 115.31 121.60 3gn1 h LEU 181 Ca 0.33 -0.31 0.04 0.00 0.84 0.00 0.00 57.88 58.79 3gn1 h LEU 181 Cb 0.65 -0.27 -0.04 0.00 0.37 0.00 0.00 40.66 41.36 3gn1 h LEU 181 CO -0.11 1.07 -0.06 0.58 -0.34 0.00 0.00 178.44 179.58 3gn1 h VAL 182 N 0.93 0.76 -0.47 1.05 2.07 -1.04 0.60 116.25 120.14 3gn1 h VAL 182 Ca 0.17 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.77 3gn1 h VAL 182 Cb 0.55 0.76 -0.07 0.00 -1.52 0.00 0.00 31.29 31.02 3gn1 h VAL 182 CO 0.03 0.00 0.07 1.23 0.02 0.00 0.00 177.57 178.92 3gn1 h GLY 183 N -0.02 0.55 1.00 2.17 0.00 -0.89 -1.65 103.07 104.23 3gn1 h GLY 183 Ca 0.10 0.00 -0.01 0.00 0.00 0.00 0.00 47.33 47.42 3gn1 h GLY 183 CO -0.23 -0.08 0.37 -2.00 0.00 0.00 0.00 176.54 174.60 3gn1 h LEU 184 N 0.19 0.87 -0.60 3.11 5.85 -0.41 -0.33 115.31 123.98 3gn1 h LEU 184 Ca 0.24 -0.10 0.05 0.00 0.84 0.00 0.00 57.88 58.91 3gn1 h LEU 184 Cb 0.33 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.09 3gn1 h LEU 184 CO -0.34 0.72 0.32 0.74 -0.34 0.00 0.00 178.44 179.54 3gn1 h THR 185 N 0.95 0.96 -0.06 1.05 2.02 -0.26 0.16 112.91 117.73 3gn1 h THR 185 Ca 0.24 -0.21 -0.07 0.00 0.77 0.00 0.00 66.41 67.15 3gn1 h THR 185 Cb 0.05 0.30 0.00 0.00 -1.74 0.00 0.00 68.15 66.76 3gn1 h THR 185 CO -0.04 0.11 -0.23 1.56 0.37 0.00 0.00 175.52 177.29 3gn1 h GLN 186 N 0.61 0.27 -0.41 6.66 4.20 -1.21 -1.10 115.11 124.12 3gn1 h GLN 186 Ca 0.27 -0.20 0.00 0.00 0.06 0.00 0.00 58.65 58.78 3gn1 h GLN 186 Cb 0.16 0.04 -0.02 0.00 0.30 0.00 0.00 27.48 27.96 3gn1 h GLN 186 CO -0.17 0.84 0.27 0.77 -0.67 0.00 0.00 178.83 179.86 3gn1 h SER 187 N -0.25 0.47 -0.06 1.46 0.02 -0.88 -2.24 113.55 112.07 3gn1 h SER 187 Ca -0.01 -0.02 -0.18 0.00 -0.84 0.00 0.00 61.79 60.74 3gn1 h SER 187 Cb 0.87 -0.12 -0.00 0.00 0.14 0.00 0.00 62.40 63.29 3gn1 h SER 187 CO 0.05 0.35 -0.59 0.00 -1.14 0.00 0.00 176.83 175.50 3gn1 h ALA 188 N 1.14 0.58 -0.52 3.77 0.00 -0.74 -2.12 119.26 121.38 3gn1 h ALA 188 Ca 0.15 -0.53 0.06 0.00 0.00 0.00 0.00 54.91 54.59 3gn1 h ALA 188 Cb -0.05 -0.07 -0.05 0.00 0.00 0.00 0.00 17.79 17.61 3gn1 h ALA 188 CO -0.03 0.69 0.23 0.00 0.00 0.00 0.00 179.25 180.14 3gn1 h ALA 189 N 0.84 0.66 0.20 0.00 0.00 -1.05 -1.10 119.26 118.81 3gn1 h ALA 189 Ca 0.00 0.05 -0.01 0.00 0.00 0.00 0.00 54.91 54.95 3gn1 h ALA 189 Cb 1.16 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.94 3gn1 h ALA 189 CO 0.12 -0.15 -0.10 1.25 0.00 0.00 0.00 179.25 180.37 3gn1 h LEU 190 N 0.44 -0.23 -0.68 0.00 5.85 -1.29 -2.56 115.31 116.83 3gn1 h LEU 190 Ca 0.24 -0.07 -0.08 0.00 0.84 0.00 0.00 57.88 58.81 3gn1 h LEU 190 Cb 0.21 0.06 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 3gn1 h LEU 190 CO -0.21 -0.08 -0.39 -0.08 -0.34 0.00 0.00 178.44 177.34 3gn1 h GLU 191 N -0.37 0.00 -0.00 1.25 4.81 -1.29 -3.22 114.58 115.75 3gn1 h GLU 191 Ca -0.03 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.20 3gn1 h GLU 191 Cb 0.28 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.66 3gn1 h GLU 191 CO 0.05 0.39 -0.65 1.28 -0.73 0.00 0.00 179.01 179.35 3gn1 n LEU 192 N -3.42 1.12 -0.23 1.64 4.77 -0.43 -4.47 117.00 115.98 3gn1 n LEU 192 Ca 0.00 -0.59 0.02 0.00 -0.03 0.00 0.00 56.01 55.41 3gn1 n LEU 192 Cb 0.57 0.00 0.14 0.00 -2.33 0.00 0.00 43.42 41.80 3gn1 n LEU 192 CO 0.37 0.24 1.01 0.00 -1.33 0.00 0.00 177.39 177.69 3gn1 h ALA 193 N 2.62 0.91 -0.02 -1.18 0.00 -1.46 -1.65 119.26 118.47 3gn1 h ALA 193 Ca 0.00 0.09 0.01 0.00 0.00 0.00 0.00 54.91 55.00 3gn1 h ALA 193 Cb 0.47 0.05 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 3gn1 h ALA 193 CO 0.00 -0.17 0.06 -1.35 0.00 0.00 0.00 179.25 177.79 3gn1 h PRO 194 N 0.46 0.00 -0.01 0.00 0.11 -1.80 0.11 132.00 130.86 3gn1 h PRO 194 Ca 0.35 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.46 3gn1 h PRO 194 Cb 0.46 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.57 3gn1 h PRO 194 CO -0.33 0.00 -0.02 0.66 -0.21 0.00 0.00 178.00 178.09 3gn1 n TYR 195 N -3.30 0.00 -1.15 0.65 4.02 -0.65 -4.94 117.16 111.79 3gn1 n TYR 195 Ca -0.02 0.00 -0.05 0.00 -0.01 0.00 0.00 57.90 57.81 3gn1 n TYR 195 Cb 0.13 -0.02 -0.02 0.00 -0.02 0.00 0.00 39.34 39.42 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 1.17 0.76 3.54 2.72 0.00 0.38 -5.01 105.19 108.76 3gn1 n GLY 196 Ca 0.19 -0.54 -0.41 0.00 0.00 0.00 0.00 46.02 45.26 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 -2.10 5.20 0.27 -0.61 1.01 -1.02 -4.26 121.20 119.68 3gn1 s ILE 197 Ca 0.00 -0.02 -0.24 0.00 0.00 0.00 0.00 60.65 60.39 3gn1 s ILE 197 Cb 0.00 -3.80 -0.09 0.00 0.01 0.00 0.00 42.46 38.58 3gn1 s ILE 197 CO 0.00 -0.07 0.84 -0.13 0.00 0.00 0.00 174.94 175.58 3gn1 s ARG 198 N 1.94 4.46 -0.14 2.79 0.52 -0.61 -3.84 118.95 124.07 3gn1 s ARG 198 Ca 0.10 1.13 -0.01 0.00 -0.52 0.00 0.00 55.73 56.44 3gn1 s ARG 198 Cb -0.17 -2.88 0.04 0.00 0.52 0.00 0.00 34.95 32.46 3gn1 s ARG 198 CO 0.11 0.35 -0.03 0.08 0.02 0.00 0.00 175.30 175.84 3gn1 s VAL 199 N -1.54 0.81 0.28 3.52 1.01 -1.26 -0.26 120.40 122.96 3gn1 s VAL 199 Ca 0.46 -0.36 0.03 0.00 0.00 0.00 0.00 61.98 62.10 3gn1 s VAL 199 Cb -0.18 -1.01 -0.04 0.00 0.00 0.00 0.00 36.38 35.15 3gn1 s VAL 199 CO 0.23 0.15 0.16 0.20 0.00 0.00 0.00 175.10 175.84 3gn1 s ASN 200 N 1.77 1.21 0.07 3.32 0.01 -0.45 0.14 114.94 121.01 3gn1 s ASN 200 Ca 0.02 -1.53 0.02 0.00 -0.71 0.00 0.00 52.86 50.66 3gn1 s ASN 200 Cb -0.14 0.39 -0.03 0.00 0.41 0.00 0.00 41.25 41.87 3gn1 s ASN 200 CO -0.07 -0.89 -0.07 -0.83 -1.51 0.00 0.00 177.10 173.73 3gn1 s GLY 201 N -3.32 0.63 -0.12 0.66 0.00 0.47 -0.42 107.32 105.22 3gn1 s GLY 201 Ca 0.37 -1.09 0.03 0.00 0.00 0.00 0.00 44.72 44.03 3gn1 s GLY 201 CO 0.17 -1.18 -0.20 0.14 0.00 0.00 0.00 173.10 172.04 3gn1 s VAL 202 N -2.70 1.82 -0.48 1.40 1.01 -0.52 -0.96 120.40 119.96 3gn1 s VAL 202 Ca 0.02 -0.85 -0.02 0.00 0.00 0.00 0.00 61.98 61.13 3gn1 s VAL 202 Cb -0.01 -1.62 0.13 0.00 0.00 0.00 0.00 36.38 34.88 3gn1 s VAL 202 CO -0.03 0.50 0.27 0.00 0.00 0.00 0.00 175.10 175.85 3gn1 s ALA 203 N 0.76 3.29 0.64 5.51 0.00 0.37 -0.56 121.76 131.77 3gn1 s ALA 203 Ca -0.10 -2.82 -0.16 0.00 0.00 0.00 0.00 51.96 48.88 3gn1 s ALA 203 Cb -0.16 -2.45 -0.01 0.00 0.00 0.00 0.00 23.12 20.50 3gn1 s ALA 203 CO 0.01 -1.91 1.14 -2.14 0.00 0.00 0.00 175.76 172.86 3gn1 s PRO 204 N 0.65 2.83 0.00 0.00 0.02 -1.26 -1.03 135.00 136.21 3gn1 s PRO 204 Ca 0.12 1.56 0.00 0.00 0.02 0.00 0.00 61.00 62.69 3gn1 s PRO 204 Cb -0.22 -1.94 0.00 0.00 0.02 0.00 0.00 34.50 32.36 3gn1 s PRO 204 CO -0.04 -1.26 0.00 0.41 -0.33 0.00 0.00 177.00 175.78 3gn1 n GLY 205 N -0.08 0.24 3.31 0.52 0.00 -1.21 -1.07 105.19 106.90 3gn1 n GLY 205 Ca 0.12 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.78 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 0.01 3.43 0.00 1.61 -7.23 -1.26 -4.86 120.40 112.11 3gn1 s VAL 206 Ca 0.00 -0.52 0.00 0.00 -1.81 0.00 0.00 61.98 59.65 3gn1 s VAL 206 Cb 0.00 -2.59 0.00 0.00 0.56 0.00 0.00 36.38 34.35 3gn1 s VAL 206 CO 0.00 0.38 0.00 -0.24 -0.31 0.00 0.00 175.10 174.93 3gn1 n SER 207 N 4.80 0.00 -4.45 4.85 2.88 -1.26 -1.39 113.62 119.06 3gn1 n SER 207 Ca -0.18 0.00 -0.55 0.00 -1.33 0.00 0.00 58.87 56.81 3gn1 n SER 207 Cb 0.50 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 1.76 -4.78 2.46 4.77 -1.21 -4.59 117.00 115.42 3gn1 n LEU 208 Ca 0.00 0.64 -0.34 0.00 -0.03 0.00 0.00 56.01 56.28 3gn1 n LEU 208 Cb 0.00 -1.13 0.02 0.00 -2.33 0.00 0.00 43.42 39.99 3gn1 n LEU 208 CO 0.00 -0.69 0.75 -0.76 -1.33 0.00 0.00 177.39 175.37 3gn1 s LEU 209 N 6.10 3.56 0.47 2.23 1.43 -1.26 -4.94 118.68 126.27 3gn1 s LEU 209 Ca 1.10 2.04 -0.24 0.00 -1.03 0.00 0.00 54.13 55.99 3gn1 s LEU 209 Cb -1.10 -4.56 -0.07 0.00 0.03 0.00 0.00 46.19 40.49 3gn1 s LEU 209 CO 0.58 -1.38 1.40 -2.84 0.23 0.00 0.00 176.35 174.34 3gn1 s PRO 210 N -3.76 3.56 0.45 1.29 0.02 -1.26 -4.89 135.00 130.42 3gn1 s PRO 210 Ca 0.69 2.35 0.12 0.00 0.02 0.00 0.00 61.00 64.17 3gn1 s PRO 210 Cb -0.21 -2.56 1.02 0.00 0.02 0.00 0.00 34.50 32.78 3gn1 s PRO 210 CO 0.35 -0.89 2.06 -0.39 -0.33 0.00 0.00 177.00 177.80 3gn1 h VAL 211 N 2.08 1.08 0.00 3.83 -1.51 -2.03 -2.02 116.25 117.68 3gn1 h VAL 211 Ca -0.51 -0.25 -0.08 0.00 -1.23 0.00 0.00 66.70 64.63 3gn1 h VAL 211 Cb 1.27 0.89 -0.01 0.00 -2.13 0.00 0.00 31.29 31.32 3gn1 h VAL 211 CO 0.60 0.09 -0.37 0.00 -1.23 0.00 0.00 177.57 176.66 3gn1 h ALA 212 N 1.83 1.12 -2.78 5.19 0.00 -2.04 -3.46 119.26 119.13 3gn1 h ALA 212 Ca 0.06 -0.34 -0.53 0.00 0.00 0.00 0.00 54.91 54.10 3gn1 h ALA 212 Cb 0.07 -0.06 0.07 0.00 0.00 0.00 0.00 17.79 17.87 3gn1 h ALA 212 CO -0.01 0.47 0.81 1.41 0.00 0.00 0.00 179.25 181.94 3gn1 s MET 213 N -3.82 4.20 0.69 0.00 0.00 -0.76 -4.99 119.30 114.61 3gn1 s MET 213 Ca -0.01 2.44 -0.13 0.00 0.00 0.00 0.00 55.69 57.98 3gn1 s MET 213 Cb 0.12 -3.06 0.01 0.00 0.00 0.00 0.00 34.83 31.90 3gn1 s MET 213 CO 0.69 -0.51 1.09 0.20 0.00 0.00 0.00 175.02 176.49 3gn1 s GLY 214 N 0.38 1.92 0.27 2.11 0.00 -1.26 -4.89 107.32 105.85 3gn1 s GLY 214 Ca 0.61 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.68 3gn1 s GLY 214 CO 0.46 0.70 1.78 -2.09 0.00 0.00 0.00 173.10 173.96 3gn1 h GLU 215 N -0.40 0.75 -0.01 2.90 4.57 -1.98 -1.82 114.58 118.59 3gn1 h GLU 215 Ca -0.45 -0.19 -0.20 0.00 -1.18 0.00 0.00 59.36 57.34 3gn1 h GLU 215 Cb 1.23 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.72 3gn1 h GLU 215 CO 0.54 0.76 -0.86 1.49 -1.18 0.00 0.00 179.01 179.76 3gn1 h GLU 216 N 0.71 0.26 0.00 1.92 4.81 -1.99 -2.45 114.58 117.84 3gn1 h GLU 216 Ca 0.14 -0.27 -0.12 0.00 -0.13 0.00 0.00 59.36 58.98 3gn1 h GLU 216 Cb 0.42 0.07 -0.02 0.00 0.63 0.00 0.00 28.75 29.86 3gn1 h GLU 216 CO 0.02 0.98 -0.55 1.49 -0.73 0.00 0.00 179.01 180.21 3gn1 h GLU 217 N 0.15 0.00 -0.14 1.92 4.81 -1.89 -1.48 114.58 117.95 3gn1 h GLU 217 Ca -0.05 0.00 -0.02 0.00 -0.13 0.00 0.00 59.36 59.16 3gn1 h GLU 217 Cb 1.48 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.85 3gn1 h GLU 217 CO 0.14 0.55 0.02 0.87 -0.73 0.00 0.00 179.01 179.86 3gn1 h LYS 218 N 0.00 0.24 -0.29 1.92 1.57 -1.20 -3.02 116.57 115.79 3gn1 h LYS 218 Ca -0.01 -0.07 -0.04 0.00 -1.87 0.00 0.00 60.65 58.66 3gn1 h LYS 218 Cb 1.04 -0.03 -0.02 0.00 0.08 0.00 0.00 32.23 33.31 3gn1 h LYS 218 CO 0.07 0.44 -0.00 -0.44 -0.57 0.00 0.00 179.45 178.94 3gn1 h ASP 219 N 0.01 0.42 -0.53 0.86 3.32 -1.35 -1.82 116.42 117.32 3gn1 h ASP 219 Ca 0.04 -0.07 0.03 0.00 0.02 0.00 0.00 57.03 57.05 3gn1 h ASP 219 Cb 0.32 -0.11 -0.04 0.00 0.22 0.00 0.00 39.33 39.72 3gn1 h ASP 219 CO 0.00 0.49 0.31 0.11 -1.72 0.00 0.00 179.24 178.43 3gn1 h LYS 220 N 0.43 0.60 -0.11 3.56 1.57 -1.22 -1.39 116.57 120.02 3gn1 h LYS 220 Ca 0.10 -0.04 -0.02 0.00 -1.87 0.00 0.00 60.65 58.82 3gn1 h LYS 220 Cb 0.29 -0.14 -0.00 0.00 0.08 0.00 0.00 32.23 32.46 3gn1 h LYS 220 CO 0.01 0.40 -0.00 -1.49 -0.57 0.00 0.00 179.45 177.80 3gn1 h TRP 221 N 0.62 0.21 -0.71 -1.35 4.06 -1.36 -3.19 115.95 114.23 3gn1 h TRP 221 Ca 0.22 -0.04 0.12 0.00 2.06 0.00 0.00 58.89 61.25 3gn1 h TRP 221 Cb 0.04 -0.05 -0.09 0.00 -1.00 0.00 0.00 29.16 28.06 3gn1 h TRP 221 CO -0.07 0.44 0.28 0.00 -3.56 0.00 0.00 178.44 175.53 3gn1 h ARG 222 N -0.08 0.43 -0.00 0.49 3.08 -1.22 0.43 114.38 117.50 3gn1 h ARG 222 Ca 0.03 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 60.06 3gn1 h ARG 222 Cb 0.35 -0.10 -0.00 0.00 0.08 0.00 0.00 29.97 30.31 3gn1 h ARG 222 CO 0.01 0.28 0.01 0.00 -1.07 0.00 0.00 179.97 179.20 3gn1 h ARG 223 N 0.44 0.00 0.00 0.04 3.08 -1.24 -2.56 114.38 114.14 3gn1 h ARG 223 Ca 0.38 0.00 -0.07 0.00 0.07 0.00 0.00 59.98 60.35 3gn1 h ARG 223 Cb 0.53 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.57 3gn1 h ARG 223 CO -0.37 0.00 -0.35 0.87 -1.07 0.00 0.00 179.97 179.05 3gn1 h LYS 224 N 0.00 0.00 -6.38 0.04 1.57 -0.91 -3.46 116.57 107.43 3gn1 h LYS 224 Ca 0.00 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 58.21 3gn1 h LYS 224 Cb 0.03 0.00 -0.04 0.00 0.08 0.00 0.00 32.23 32.30 3gn1 h LYS 224 CO -0.00 0.34 1.08 0.08 -0.57 0.00 0.00 179.45 180.37 3gn1 s VAL 225 N -3.04 3.87 0.14 0.50 1.01 -0.97 -4.81 120.40 117.10 3gn1 s VAL 225 Ca 0.05 0.95 -0.20 0.00 0.00 0.00 0.00 61.98 62.78 3gn1 s VAL 225 Cb 0.07 -3.99 0.02 0.00 0.00 0.00 0.00 36.38 32.47 3gn1 s VAL 225 CO 0.72 -0.50 1.67 -0.65 0.00 0.00 0.00 175.10 176.34 3gn1 h PRO 226 N 10.51 -0.10 -6.01 2.72 0.11 -1.84 -1.41 132.00 135.98 3gn1 h PRO 226 Ca -0.29 0.01 -0.61 0.00 0.11 0.00 0.00 66.00 65.21 3gn1 h PRO 226 Cb 1.12 0.02 -0.10 0.00 0.11 0.00 0.00 31.00 32.15 3gn1 h PRO 226 CO 1.04 -0.07 1.51 -1.17 -0.21 0.00 0.00 178.00 179.10 3gn1 s LEU 227 N -10.48 3.64 0.00 2.35 2.96 -0.25 -4.11 118.68 112.79 3gn1 s LEU 227 Ca -0.14 -1.58 0.00 0.00 -0.22 0.00 0.00 54.13 52.19 3gn1 s LEU 227 Cb 0.12 -2.56 0.00 0.00 0.50 0.00 0.00 46.19 44.25 3gn1 s LEU 227 CO 0.69 -1.45 0.00 0.61 -1.32 0.00 0.00 176.35 174.88 3gn1 n GLY 228 N 6.66 0.76 4.21 7.98 0.00 -1.26 -4.45 105.19 119.09 3gn1 n GLY 228 Ca 0.34 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 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 -1.82 -3.69 1.61 5.12 -0.53 -4.94 116.66 110.41 3gn1 n ARG 229 Ca 0.00 0.21 -0.12 0.00 -1.93 0.00 0.00 57.85 56.02 3gn1 n ARG 229 Cb 0.00 -4.05 -0.06 0.00 -1.16 0.00 0.00 32.46 27.19 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 -7.08 0.93 0.66 5.56 1.70 -1.16 -4.32 118.95 115.24 3gn1 s ARG 230 Ca 0.09 -0.52 -0.12 0.00 -0.47 0.00 0.00 55.73 54.71 3gn1 s ARG 230 Cb -0.05 0.41 -0.01 0.00 -0.57 0.00 0.00 34.95 34.73 3gn1 s ARG 230 CO 0.96 -0.33 1.05 -1.83 -1.08 0.00 0.00 175.30 174.08 3gn1 s GLU 231 N -2.92 3.14 0.25 3.89 1.03 -1.26 -4.84 118.70 117.98 3gn1 s GLU 231 Ca -0.02 0.99 -0.30 0.00 0.03 0.00 0.00 54.97 55.67 3gn1 s GLU 231 Cb 0.00 -2.02 -0.09 0.00 -0.80 0.00 0.00 34.13 31.22 3gn1 s GLU 231 CO -0.06 -0.94 1.29 0.00 -1.33 0.00 0.00 175.26 174.22 3gn1 s ALA 232 N -2.90 3.51 0.85 -0.84 0.00 -0.48 -4.95 121.76 116.95 3gn1 s ALA 232 Ca 0.59 1.13 -0.11 0.00 0.00 0.00 0.00 51.96 53.58 3gn1 s ALA 232 Cb -0.14 -3.47 0.11 0.00 0.00 0.00 0.00 23.12 19.62 3gn1 s ALA 232 CO 0.50 -0.53 1.14 -1.54 0.00 0.00 0.00 175.76 175.33 3gn1 s SER 233 N -0.02 3.47 0.31 0.00 1.04 -1.26 -3.31 113.70 113.92 3gn1 s SER 233 Ca 0.53 2.13 0.02 0.00 0.48 0.00 0.00 55.95 59.11 3gn1 s SER 233 Cb -0.37 -2.56 0.57 0.00 0.10 0.00 0.00 66.02 63.76 3gn1 s SER 233 CO 0.43 -2.74 1.90 0.00 0.98 0.00 0.00 173.24 173.81 3gn1 h ALA 234 N -1.47 1.55 -0.76 5.32 0.00 -1.96 -2.84 119.26 119.10 3gn1 h ALA 234 Ca -0.44 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.42 3gn1 h ALA 234 Cb 1.26 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.77 3gn1 h ALA 234 CO 0.45 0.29 0.31 0.93 0.00 0.00 0.00 179.25 181.23 3gn1 h GLU 235 N 0.98 1.12 -0.64 0.00 3.07 -1.91 -1.19 114.58 116.00 3gn1 h GLU 235 Ca 0.41 -0.19 -0.07 0.00 -0.50 0.00 0.00 59.36 59.01 3gn1 h GLU 235 Cb 0.29 -0.19 -0.03 0.00 -0.84 0.00 0.00 28.75 27.98 3gn1 h GLU 235 CO -0.17 0.90 0.15 1.96 -1.40 0.00 0.00 179.01 180.45 3gn1 h GLN 236 N 1.10 1.04 -0.49 2.33 4.20 -1.87 -0.22 115.11 121.19 3gn1 h GLN 236 Ca 0.26 -0.26 0.01 0.00 0.06 0.00 0.00 58.65 58.72 3gn1 h GLN 236 Cb 0.19 -0.13 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 3gn1 h GLN 236 CO -0.02 0.94 0.32 0.82 -0.67 0.00 0.00 178.83 180.22 3gn1 h ILE 237 N 0.96 1.11 -0.49 2.54 1.08 -1.36 -3.06 117.51 118.30 3gn1 h ILE 237 Ca 0.20 -0.22 -0.01 0.00 -0.39 0.00 0.00 64.86 64.43 3gn1 h ILE 237 Cb 0.37 0.40 -0.02 0.00 -3.07 0.00 0.00 36.82 34.50 3gn1 h ILE 237 CO 0.00 0.12 0.24 0.00 -0.69 0.00 0.00 178.15 177.83 3gn1 h ALA 238 N 1.19 1.52 -1.00 1.87 0.00 -0.75 -2.71 119.26 119.38 3gn1 h ALA 238 Ca 0.19 -0.09 0.08 0.00 0.00 0.00 0.00 54.91 55.08 3gn1 h ALA 238 Cb -0.05 -0.20 -0.07 0.00 0.00 0.00 0.00 17.79 17.46 3gn1 h ALA 238 CO -0.05 0.39 0.64 -0.44 0.00 0.00 0.00 179.25 179.79 3gn1 h ASP 239 N 0.68 1.01 -0.08 0.00 3.32 -0.94 0.85 116.42 121.25 3gn1 h ASP 239 Ca 0.17 0.02 -0.14 0.00 0.02 0.00 0.00 57.03 57.11 3gn1 h ASP 239 Cb 0.06 -0.19 -0.01 0.00 0.22 0.00 0.00 39.33 39.40 3gn1 h ASP 239 CO -0.02 0.62 -0.40 0.00 -1.72 0.00 0.00 179.24 177.71 3gn1 h ALA 240 N 1.47 0.82 -0.35 3.45 0.00 -1.53 -1.62 119.26 121.49 3gn1 h ALA 240 Ca 0.45 -0.44 -0.03 0.00 0.00 0.00 0.00 54.91 54.89 3gn1 h ALA 240 Cb 0.24 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 3gn1 h ALA 240 CO -0.20 0.65 0.12 0.28 0.00 0.00 0.00 179.25 180.10 3gn1 h VAL 241 N 0.50 1.20 -0.86 0.00 2.07 -1.14 -2.20 116.25 115.82 3gn1 h VAL 241 Ca 0.04 -0.66 0.02 0.00 0.82 0.00 0.00 66.70 66.92 3gn1 h VAL 241 Cb 0.91 0.97 -0.05 0.00 -1.52 0.00 0.00 31.29 31.61 3gn1 h VAL 241 CO 0.08 0.23 0.56 0.40 0.02 0.00 0.00 177.57 178.86 3gn1 h ILE 242 N 0.42 1.18 0.17 4.57 1.08 -0.67 -1.67 117.51 122.59 3gn1 h ILE 242 Ca 0.12 -0.39 -0.01 0.00 -0.39 0.00 0.00 64.86 64.19 3gn1 h ILE 242 Cb 0.24 -0.04 0.00 0.00 -3.07 0.00 0.00 36.82 33.95 3gn1 h ILE 242 CO -0.00 0.21 -0.08 0.15 -0.69 0.00 0.00 178.15 177.73 3gn1 h PHE 243 N 1.12 -0.21 -0.51 1.37 3.57 -1.19 -2.75 116.94 118.35 3gn1 h PHE 243 Ca 0.33 -0.00 0.02 0.00 3.53 0.00 0.00 57.97 61.84 3gn1 h PHE 243 Cb -0.07 0.07 -0.03 0.00 2.79 0.00 0.00 35.95 38.72 3gn1 h PHE 243 CO -0.02 -0.10 0.34 -0.07 -2.23 0.00 0.00 178.31 176.23 3gn1 h LEU 244 N -0.26 0.55 0.00 0.59 3.38 -0.95 -1.74 115.31 116.87 3gn1 h LEU 244 Ca -0.02 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 57.94 3gn1 h LEU 244 Cb 0.20 -0.13 0.00 0.00 0.09 0.00 0.00 40.66 40.82 3gn1 h LEU 244 CO 0.04 0.39 -0.12 1.33 0.09 0.00 0.00 178.44 180.17 3gn1 n VAL 245 N -4.47 0.54 -1.80 1.22 0.24 -0.67 -4.71 118.33 108.69 3gn1 n VAL 245 Ca 0.05 -0.28 -0.29 0.00 -2.04 0.00 0.00 64.34 61.78 3gn1 n VAL 245 Cb 0.09 -0.49 0.09 0.00 -1.47 0.00 0.00 33.84 32.06 3gn1 n VAL 245 CO 0.00 0.00 0.00 -0.94 -2.14 0.00 0.00 176.83 173.75 3gn1 s SER 246 N -4.46 4.51 0.23 -1.34 1.04 -0.65 -4.94 113.70 108.09 3gn1 s SER 246 Ca 0.10 0.92 0.21 0.00 0.48 0.00 0.00 55.95 57.67 3gn1 s SER 246 Cb 0.13 -1.51 0.93 0.00 0.10 0.00 0.00 66.02 65.67 3gn1 s SER 246 CO 0.62 -1.91 1.65 0.61 0.98 0.00 0.00 173.24 175.19 3gn1 n GLY 247 N -2.96 -1.16 0.00 7.32 0.00 -1.26 -1.68 105.19 105.45 3gn1 n GLY 247 Ca 0.07 0.08 0.12 0.00 0.00 0.00 0.00 46.02 46.29 3gn1 n GLY 247 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3gn1 n SER 248 N -2.13 0.00 -0.40 1.61 7.64 -1.26 -3.33 113.62 115.75 3gn1 n SER 248 Ca 0.02 -0.18 0.07 0.00 1.01 0.00 0.00 58.87 59.79 3gn1 n SER 248 Cb 0.19 -0.23 0.15 0.00 -1.01 0.00 0.00 64.21 63.30 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 2.80 0.29 -0.43 0.00 -0.68 -4.88 120.51 116.38 3gn1 n ALA 249 Ca 0.12 -2.76 0.16 0.00 0.00 0.00 0.00 53.44 50.97 3gn1 n ALA 249 Cb 0.17 -0.40 0.84 0.00 0.00 0.00 0.00 19.45 20.06 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 0.46 0.00 -0.02 0.00 4.20 -1.68 -1.05 115.11 117.02 3gn1 h GLN 250 Ca -0.01 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.70 3gn1 h GLN 250 Cb 1.09 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.87 3gn1 h GLN 250 CO 0.01 0.06 -0.07 0.98 -0.67 0.00 0.00 178.83 179.14 3gn1 n TYR 251 N -3.38 0.00 -3.24 2.96 9.36 -1.26 -4.94 117.16 116.67 3gn1 n TYR 251 Ca -0.02 0.00 -0.41 0.00 3.32 0.00 0.00 57.90 60.79 3gn1 n TYR 251 Cb 0.21 -0.00 -0.08 0.00 -0.63 0.00 0.00 39.34 38.84 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 -2.08 5.02 -0.03 2.97 1.01 -0.40 -5.04 121.20 122.64 3gn1 s ILE 252 Ca 0.28 0.47 -0.12 0.00 0.00 0.00 0.00 60.65 61.28 3gn1 s ILE 252 Cb 0.20 -3.94 0.02 0.00 0.01 0.00 0.00 42.46 38.75 3gn1 s ILE 252 CO 0.35 -0.15 0.27 0.28 0.00 0.00 0.00 174.94 175.68 3gn1 s THR 253 N 2.39 0.05 0.00 2.92 -1.32 -1.26 -4.66 115.64 113.75 3gn1 s THR 253 Ca 0.19 -0.40 0.00 0.00 -1.21 0.00 0.00 61.69 60.27 3gn1 s THR 253 Cb -0.15 -0.52 0.00 0.00 -1.51 0.00 0.00 72.50 70.31 3gn1 s THR 253 CO 0.13 -0.22 0.00 0.61 -2.21 0.00 0.00 174.62 172.92 3gn1 n GLY 254 N 1.73 0.49 3.87 6.08 0.00 0.12 -4.95 105.19 112.53 3gn1 n GLY 254 Ca -0.20 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.45 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 -2.10 6.50 -0.25 1.61 0.01 -1.26 -4.83 113.70 113.38 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 64.17 3gn1 s SER 255 CO 0.00 0.38 -0.10 -0.63 0.41 0.00 0.00 173.24 173.30 3gn1 s ILE 256 N -1.07 1.98 -0.33 1.44 1.01 -1.26 -0.40 121.20 122.58 3gn1 s ILE 256 Ca 0.18 -1.47 -0.24 0.00 0.00 0.00 0.00 60.65 59.12 3gn1 s ILE 256 Cb -0.13 -2.11 0.01 0.00 0.01 0.00 0.00 42.46 40.23 3gn1 s ILE 256 CO 0.07 -0.01 0.83 -0.63 0.00 0.00 0.00 174.94 175.20 3gn1 s ILE 257 N 1.20 4.73 0.15 2.92 1.01 -0.13 -4.91 121.20 126.17 3gn1 s ILE 257 Ca -0.07 1.18 -0.31 0.00 0.00 0.00 0.00 60.65 61.45 3gn1 s ILE 257 Cb -0.19 -4.21 -0.08 0.00 0.01 0.00 0.00 42.46 37.99 3gn1 s ILE 257 CO -0.06 -0.34 1.35 -0.54 0.00 0.00 0.00 174.94 175.35 3gn1 s LYS 258 N 3.11 4.35 -0.55 2.79 1.02 -1.26 -0.48 119.74 128.72 3gn1 s LYS 258 Ca 0.34 2.06 0.05 0.00 0.02 0.00 0.00 55.97 58.45 3gn1 s LYS 258 Cb -0.13 -3.22 0.20 0.00 -0.52 0.00 0.00 37.83 34.15 3gn1 s LYS 258 CO 0.14 -0.35 0.50 0.28 -0.92 0.00 0.00 175.35 175.01 3gn1 n VAL 259 N 3.32 0.52 -0.70 3.17 0.31 -0.20 -4.90 118.33 119.85 3gn1 n VAL 259 Ca 0.09 -4.36 0.00 0.00 -0.01 0.00 0.00 64.34 60.06 3gn1 n VAL 259 Cb 0.43 -1.97 0.00 0.00 -0.91 0.00 0.00 33.84 31.38 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 1.91 0.49 -1.67 4.52 5.75 -1.26 -3.30 116.55 122.98 3gn1 n ASP 260 Ca 0.25 -1.19 -0.20 0.00 -0.01 0.00 0.00 54.79 53.64 3gn1 n ASP 260 Cb 0.43 0.00 -0.08 0.00 -1.03 0.00 0.00 41.12 40.45 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 -0.10 1.60 1.25 6.12 0.00 -1.26 -1.40 105.19 111.40 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 -0.44 0.86 0.25 -0.02 0.00 -1.26 -1.09 105.19 103.49 3gn1 n GLY 262 Ca -0.20 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.85 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 -0.10 -0.54 0.99 5.85 -1.55 -0.33 115.31 119.63 3gn1 h LEU 263 Ca 0.00 0.15 0.00 0.00 0.84 0.00 0.00 57.88 58.87 3gn1 h LEU 263 Cb 0.00 0.22 0.00 0.00 0.37 0.00 0.00 40.66 41.25 3gn1 h LEU 263 CO 0.00 -0.07 0.00 -1.54 -0.34 0.00 0.00 178.44 176.49 3gn1 n SER 264 N -5.20 0.27 -0.58 1.25 3.41 -1.26 -2.03 113.62 109.47 3gn1 n SER 264 Ca 0.12 0.60 0.13 0.00 -0.26 0.00 0.00 58.87 59.47 3gn1 n SER 264 Cb 0.41 -0.65 0.42 0.00 -0.26 0.00 0.00 64.21 64.13 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 -1.84 1.83 -4.56 1.04 4.77 -0.14 -4.88 117.00 113.23 3gn1 n LEU 265 Ca 0.01 -0.61 -0.41 0.00 -0.03 0.00 0.00 56.01 54.96 3gn1 n LEU 265 Cb 0.08 -0.00 -0.08 0.00 -2.33 0.00 0.00 43.42 41.08 3gn1 n LEU 265 CO 0.08 0.31 0.21 -0.69 -1.33 0.00 0.00 177.39 175.97 3gn1 s VAL 266 N -2.02 5.03 0.70 4.08 1.01 -0.86 -5.04 120.40 123.30 3gn1 s VAL 266 Ca 0.35 0.30 -0.14 0.00 0.00 0.00 0.00 61.98 62.49 3gn1 s VAL 266 Cb 0.21 -3.95 0.02 0.00 0.00 0.00 0.00 36.38 32.65 3gn1 s VAL 266 CO 0.34 -0.21 1.13 -1.38 0.00 0.00 0.00 175.10 174.97 3gn1 s HIS 267 N 2.36 2.46 -2.00 5.22 -3.43 -1.26 -5.09 115.29 113.55 3gn1 s HIS 267 Ca 0.18 1.57 0.00 0.00 -0.80 0.00 0.00 55.06 56.02 3gn1 s HIS 267 Cb -0.16 -3.22 0.02 0.00 -1.43 0.00 0.00 32.58 27.80 3gn1 s HIS 267 CO 0.13 -1.93 0.52 0.00 -2.00 0.00 0.00 174.74 171.47