#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g n GLU 2 N 0.00 1.92 -2.25 1.61 -0.58 -1.26 -4.90 120.64 115.18 1g3g n GLU 2 Ca 0.00 0.00 -0.02 0.00 -0.42 0.00 0.00 57.16 56.72 1g3g n GLU 2 Cb 0.00 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 30.88 1g3g n GLU 2 CO 0.00 0.00 0.00 0.09 -0.48 0.00 0.00 177.13 176.74 1g3g n ASN 3 N -1.63 -4.60 -4.56 1.62 5.03 -1.26 -5.00 115.26 104.85 1g3g n ASN 3 Ca 0.00 -0.10 -0.41 0.00 0.87 0.00 0.00 54.58 54.94 1g3g n ASN 3 Cb 0.00 -2.96 -0.09 0.00 -1.02 0.00 0.00 39.78 35.72 1g3g n ASN 3 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1g3g s ILE 4 N -3.04 5.12 0.00 2.41 -4.36 -1.26 -4.69 121.20 115.37 1g3g s ILE 4 Ca 0.05 0.28 0.00 0.00 -0.26 0.00 0.00 60.65 60.72 1g3g s ILE 4 Cb -0.01 -3.84 0.00 0.00 1.25 0.00 0.00 42.46 39.86 1g3g s ILE 4 CO 0.35 -0.08 0.00 0.41 0.24 0.00 0.00 174.94 175.86 1g3g n THR 5 N 5.27 0.00 -3.21 8.37 -1.04 -1.26 -4.77 114.28 117.64 1g3g n THR 5 Ca -0.07 0.00 -0.25 0.00 -2.04 0.00 0.00 64.05 61.68 1g3g n THR 5 Cb 0.49 0.00 0.03 0.00 -1.82 0.00 0.00 70.33 69.03 1g3g n THR 5 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1g3g n GLN 6 N 0.00 -2.13 -1.68 -2.82 -0.06 -1.26 -4.77 117.38 104.65 1g3g n GLN 6 Ca 0.00 1.74 -0.49 0.00 -2.00 0.00 0.00 57.00 56.25 1g3g n GLN 6 Cb 0.00 -3.66 -0.05 0.00 -4.06 0.00 0.00 30.24 22.47 1g3g n GLN 6 CO 0.00 0.00 0.00 -2.30 -0.20 0.00 0.00 177.06 174.56 1g3g n PRO 7 N -0.22 2.01 -3.87 3.69 -0.02 -1.26 -4.97 135.00 130.36 1g3g n PRO 7 Ca 0.01 0.74 -0.30 0.00 -2.02 0.00 0.00 63.50 61.92 1g3g n PRO 7 Cb 0.58 -2.54 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1g3g n PRO 7 CO 0.00 0.00 0.00 -0.08 1.98 0.00 0.00 175.50 177.40 1g3g s THR 8 N 3.49 5.33 -1.07 3.45 -1.32 -1.26 -5.04 115.64 119.22 1g3g s THR 8 Ca 0.91 -0.38 -0.04 0.00 -1.21 0.00 0.00 61.69 60.97 1g3g s THR 8 Cb -0.75 -3.66 0.31 0.00 -1.51 0.00 0.00 72.50 66.89 1g3g s THR 8 CO 0.52 0.05 1.49 0.00 -2.21 0.00 0.00 174.62 174.47 1g3g n GLN 9 N 0.01 4.51 -1.31 7.08 6.02 -1.26 -4.65 117.38 127.78 1g3g n GLN 9 Ca -0.05 -4.57 0.01 0.00 -0.01 0.00 0.00 57.00 52.38 1g3g n GLN 9 Cb 0.52 -2.50 0.10 0.00 1.02 0.00 0.00 30.24 29.38 1g3g n GLN 9 CO 0.00 0.00 0.00 0.94 -1.01 0.00 0.00 177.06 176.99 1g3g n GLN 10 N 1.23 1.30 0.09 -1.09 -0.06 -1.26 -4.86 117.38 112.72 1g3g n GLN 10 Ca 0.27 -2.98 0.00 0.00 -2.00 0.00 0.00 57.00 52.29 1g3g n GLN 10 Cb 0.33 -1.14 0.00 0.00 -4.06 0.00 0.00 30.24 25.37 1g3g n GLN 10 CO 0.00 0.00 0.00 0.43 -0.20 0.00 0.00 177.06 177.29 1g3g n SER 11 N -0.45 -0.09 -4.37 1.69 7.64 -1.26 -4.97 113.62 111.80 1g3g n SER 11 Ca 0.16 0.29 -0.37 0.00 1.01 0.00 0.00 58.87 59.97 1g3g n SER 11 Cb 0.90 0.24 -0.03 0.00 -1.01 0.00 0.00 64.21 64.30 1g3g n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1g3g n THR 12 N -3.08 2.79 -1.38 0.44 -2.24 -1.26 -4.71 114.28 104.83 1g3g n THR 12 Ca 0.00 -2.80 -0.31 0.00 -2.27 0.00 0.00 64.05 58.66 1g3g n THR 12 Cb 0.00 -2.30 0.09 0.00 -2.10 0.00 0.00 70.33 66.03 1g3g n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3g n GLN 13 N 7.94 2.69 -3.98 -0.78 6.02 -1.26 -4.89 117.38 123.12 1g3g n GLN 13 Ca 0.48 -3.33 -0.30 0.00 -0.01 0.00 0.00 57.00 53.83 1g3g n GLN 13 Cb 0.45 -2.26 -0.16 0.00 1.02 0.00 0.00 30.24 29.29 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1g3g s ALA 14 N -3.71 1.98 0.00 -1.58 0.00 -1.26 -4.95 121.76 112.23 1g3g s ALA 14 Ca 0.62 -1.24 0.00 0.00 0.00 0.00 0.00 51.96 51.34 1g3g s ALA 14 Cb 0.49 -1.32 0.00 0.00 0.00 0.00 0.00 23.12 22.30 1g3g s ALA 14 CO 0.01 -0.92 0.00 2.41 0.00 0.00 0.00 175.76 177.26 1g3g n THR 15 N 4.68 0.00 -0.30 0.00 -1.04 -1.26 -4.49 114.28 111.87 1g3g n THR 15 Ca -0.14 0.00 -0.04 0.00 -2.04 0.00 0.00 64.05 61.84 1g3g n THR 15 Cb 0.46 -1.04 0.08 0.00 -1.82 0.00 0.00 70.33 68.01 1g3g n THR 15 CO 0.00 0.00 0.00 0.06 -0.64 0.00 0.00 175.07 174.49 1g3g h GLN 16 N 0.00 1.06 -0.25 -2.82 -0.00 -2.01 -1.69 115.11 109.41 1g3g h GLN 16 Ca 0.00 -0.06 -0.18 0.00 -0.00 0.00 0.00 58.65 58.40 1g3g h GLN 16 Cb 0.75 -0.24 -0.00 0.00 -0.00 0.00 0.00 27.48 27.99 1g3g h GLN 16 CO 0.00 0.70 -0.57 0.00 -0.00 0.00 0.00 178.83 178.96 1g3g h ARG 17 N 1.09 0.79 -0.99 0.06 3.08 -1.98 -3.15 114.38 113.29 1g3g h ARG 17 Ca 0.30 -0.52 0.02 0.00 0.07 0.00 0.00 59.98 59.86 1g3g h ARG 17 Cb -0.11 0.07 -0.05 0.00 0.08 0.00 0.00 29.97 29.95 1g3g h ARG 17 CO -0.07 1.14 0.65 0.35 -1.07 0.00 0.00 179.97 180.98 1g3g h PHE 18 N 0.60 1.23 -0.81 3.04 3.57 -1.69 -2.16 116.94 120.72 1g3g h PHE 18 Ca 0.01 0.03 -0.01 0.00 3.53 0.00 0.00 57.97 61.53 1g3g h PHE 18 Cb 1.17 -0.41 -0.04 0.00 2.79 0.00 0.00 35.95 39.45 1g3g h PHE 18 CO 0.07 0.75 0.48 1.25 -2.23 0.00 0.00 178.31 178.63 1g3g h LEU 19 N 1.30 0.98 -0.70 0.59 7.12 -1.28 -2.55 115.31 120.77 1g3g h LEU 19 Ca 0.38 -0.07 -0.07 0.00 0.13 0.00 0.00 57.88 58.25 1g3g h LEU 19 Cb -0.09 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 39.77 1g3g h LEU 19 CO -0.10 0.76 0.15 0.40 -0.13 0.00 0.00 178.44 179.52 1g3g h ILE 20 N 1.11 1.26 -0.39 4.05 1.08 -1.38 -1.85 117.51 121.39 1g3g h ILE 20 Ca 0.29 -1.00 0.03 0.00 -0.39 0.00 0.00 64.86 63.80 1g3g h ILE 20 Cb -0.03 0.57 -0.04 0.00 -3.07 0.00 0.00 36.82 34.25 1g3g h ILE 20 CO -0.05 0.38 0.18 -0.33 -0.69 0.00 0.00 178.15 177.64 1g3g h GLU 21 N 1.06 0.36 -0.32 2.37 5.08 -1.02 0.54 114.58 122.65 1g3g h GLU 21 Ca 0.22 -0.02 -0.10 0.00 -1.00 0.00 0.00 59.36 58.46 1g3g h GLU 21 Cb 0.40 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1g3g h GLU 21 CO 0.01 0.24 -0.20 -0.22 -1.00 0.00 0.00 179.01 177.83 1g3g h LYS 22 N 0.37 0.59 -0.15 2.33 3.64 -1.34 0.45 116.57 122.47 1g3g h LYS 22 Ca 0.17 -0.22 -0.02 0.00 -1.27 0.00 0.00 60.65 59.31 1g3g h LYS 22 Cb 0.10 -0.04 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1g3g h LYS 22 CO -0.13 0.76 0.01 0.35 -2.27 0.00 0.00 179.45 178.17 1g3g h PHE 23 N 0.53 0.27 -0.23 1.91 3.04 -0.67 -3.23 116.94 118.57 1g3g h PHE 23 Ca 0.08 -0.04 -0.10 0.00 3.98 0.00 0.00 57.97 61.89 1g3g h PHE 23 Cb 0.65 -0.07 -0.00 0.00 2.56 0.00 0.00 35.95 39.08 1g3g h PHE 23 CO 0.03 0.46 -0.26 1.03 -2.02 0.00 0.00 178.31 177.54 1g3g h SER 24 N 0.01 0.62 -3.67 0.41 0.87 -0.85 -3.45 113.55 107.49 1g3g h SER 24 Ca 0.04 -0.49 -0.22 0.00 -1.23 0.00 0.00 61.79 59.89 1g3g h SER 24 Cb 0.34 -0.18 -0.29 0.00 -0.44 0.00 0.00 62.40 61.84 1g3g h SER 24 CO 0.01 0.99 -0.63 0.00 -0.53 0.00 0.00 176.83 176.67 1g3g s GLN 25 N -4.27 0.09 0.30 2.24 -2.07 0.14 -5.10 119.66 110.98 1g3g s GLN 25 Ca -0.13 0.17 0.01 0.00 -1.82 0.00 0.00 55.36 53.59 1g3g s GLN 25 Cb 0.07 -0.02 -0.04 0.00 -1.09 0.00 0.00 33.01 31.93 1g3g s GLN 25 CO 0.81 -0.06 0.49 -1.21 -1.32 0.00 0.00 175.29 174.00 1g3g s GLU 26 N 0.36 3.49 -0.46 9.60 2.02 -1.24 -3.56 118.70 128.92 1g3g s GLU 26 Ca -0.03 -0.38 -0.10 0.00 0.02 0.00 0.00 54.97 54.48 1g3g s GLU 26 Cb -0.04 -2.73 0.11 0.00 0.10 0.00 0.00 34.13 31.57 1g3g s GLU 26 CO -0.01 0.25 0.33 -0.65 0.02 0.00 0.00 175.26 175.19 1g3g s GLN 27 N -4.03 2.55 0.04 1.61 -0.21 -1.26 -5.07 119.66 113.30 1g3g s GLN 27 Ca 0.39 -1.66 -0.18 0.00 0.02 0.00 0.00 55.36 53.93 1g3g s GLN 27 Cb -0.10 -3.91 -0.06 0.00 1.00 0.00 0.00 33.01 29.94 1g3g s GLN 27 CO 0.33 -1.13 0.51 0.42 -2.12 0.00 0.00 175.29 173.30 1g3g s ILE 28 N 1.40 4.86 0.00 1.08 -1.09 -1.26 -4.90 121.20 121.28 1g3g s ILE 28 Ca 0.05 1.08 0.00 0.00 -2.23 0.00 0.00 60.65 59.54 1g3g s ILE 28 Cb -0.25 -3.83 0.00 0.00 -1.58 0.00 0.00 42.46 36.80 1g3g s ILE 28 CO 0.00 0.56 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1g3g n GLY 29 N 1.80 -0.03 0.23 6.18 0.00 -1.26 -4.66 105.19 107.46 1g3g n GLY 29 Ca -0.12 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 45.97 1g3g n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1g3g h GLU 30 N 0.00 0.00 0.00 1.61 5.08 -1.90 -2.94 114.58 116.42 1g3g h GLU 30 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1g3g h GLU 30 Cb 0.00 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.25 1g3g h GLU 30 CO 0.00 0.17 -0.89 0.09 -1.00 0.00 0.00 179.01 177.38 1g3g n ASN 31 N -3.30 1.10 -4.55 1.42 3.02 -1.26 -4.37 115.26 107.32 1g3g n ASN 31 Ca 0.00 -0.52 -0.35 0.00 -0.03 0.00 0.00 54.58 53.68 1g3g n ASN 31 Cb 0.41 1.18 -0.04 0.00 -0.61 0.00 0.00 39.78 40.73 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3g s ILE 32 N -2.36 3.41 0.13 2.41 -1.09 -1.11 -2.56 121.20 120.03 1g3g s ILE 32 Ca 0.02 0.02 -0.25 0.00 -2.23 0.00 0.00 60.65 58.20 1g3g s ILE 32 Cb 0.09 -4.02 -0.06 0.00 -1.58 0.00 0.00 42.46 36.89 1g3g s ILE 32 CO 0.49 -0.98 1.40 0.52 -1.23 0.00 0.00 174.94 175.14 1g3g n VAL 33 N 7.37 -0.56 -3.56 2.92 0.31 -1.14 -4.58 118.33 119.10 1g3g n VAL 33 Ca 0.26 2.19 -0.09 0.00 -0.01 0.00 0.00 64.34 66.69 1g3g n VAL 33 Cb 0.50 -2.73 -0.02 0.00 -0.91 0.00 0.00 33.84 30.68 1g3g n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g3g s ARG 35 N -3.53 1.46 -0.10 0.00 3.52 0.30 0.15 118.95 120.75 1g3g s ARG 35 Ca 0.05 -0.52 -0.21 0.00 -0.13 0.00 0.00 55.73 54.92 1g3g s ARG 35 Cb -0.02 -2.00 -0.04 0.00 -1.56 0.00 0.00 34.95 31.33 1g3g s ARG 35 CO -0.07 -0.43 0.60 0.08 -0.81 0.00 0.00 175.30 174.67 1g3g s VAL 36 N 1.63 5.11 -0.29 7.11 1.01 -0.91 0.19 120.40 134.24 1g3g s VAL 36 Ca 0.01 1.21 0.02 0.00 0.00 0.00 0.00 61.98 63.22 1g3g s VAL 36 Cb -0.15 -3.94 0.07 0.00 0.00 0.00 0.00 36.38 32.36 1g3g s VAL 36 CO -0.08 0.28 -0.04 -0.63 0.00 0.00 0.00 175.10 174.63 1g3g s ILE 37 N 0.78 2.43 -0.57 2.22 1.01 0.50 -2.66 121.20 124.91 1g3g s ILE 37 Ca 0.32 -1.73 -0.17 0.00 0.00 0.00 0.00 60.65 59.07 1g3g s ILE 37 Cb -0.16 -2.50 0.12 0.00 0.01 0.00 0.00 42.46 39.93 1g3g s ILE 37 CO 0.14 -0.18 0.60 0.00 0.00 0.00 0.00 174.94 175.51 1g3g n THR 39 N 5.39 2.74 0.55 0.00 5.66 -1.26 -4.37 114.28 122.99 1g3g n THR 39 Ca -0.12 -2.21 0.06 0.00 -3.05 0.00 0.00 64.05 58.74 1g3g n THR 39 Cb 0.41 -0.35 0.01 0.00 -1.55 0.00 0.00 70.33 68.86 1g3g n THR 39 CO 0.00 0.00 0.00 0.35 -3.05 0.00 0.00 175.07 172.37 1g3g n THR 40 N -0.85 0.00 -0.32 1.09 -2.24 -1.26 -5.00 114.28 105.69 1g3g n THR 40 Ca 0.39 -0.41 0.00 0.00 -2.27 0.00 0.00 64.05 61.76 1g3g n THR 40 Cb 1.23 1.18 0.00 0.00 -2.10 0.00 0.00 70.33 70.64 1g3g n THR 40 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g3g n GLY 41 N 0.92 0.91 2.01 3.38 0.00 -1.26 -4.89 105.19 106.26 1g3g n GLY 41 Ca 0.06 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.37 1g3g n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3g n GLN 42 N -0.32 0.00 -4.14 1.61 6.02 -1.26 -5.12 117.38 114.17 1g3g n GLN 42 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 1g3g n GLN 42 Cb 0.11 0.00 -0.16 0.00 1.02 0.00 0.00 30.24 31.21 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3g s ILE 43 N -1.94 0.45 0.56 5.09 1.09 -1.26 -5.03 121.20 120.17 1g3g s ILE 43 Ca 0.00 -0.12 -0.21 0.00 -1.10 0.00 0.00 60.65 59.22 1g3g s ILE 43 Cb 0.00 -0.47 -0.04 0.00 -1.06 0.00 0.00 42.46 40.89 1g3g s ILE 43 CO 0.00 0.19 1.36 -2.84 -0.10 0.00 0.00 174.94 173.55 1g3g s PRO 44 N 0.66 3.04 -0.13 2.79 0.02 -1.26 -3.98 135.00 136.14 1g3g s PRO 44 Ca -0.08 2.24 -0.37 0.00 0.02 0.00 0.00 61.00 62.80 1g3g s PRO 44 Cb -0.11 -2.20 -0.15 0.00 0.02 0.00 0.00 34.50 32.06 1g3g s PRO 44 CO -0.00 -1.27 1.71 -0.89 -0.33 0.00 0.00 177.00 176.21 1g3g n ILE 45 N -1.16 0.31 -4.84 2.83 5.41 -1.26 -4.79 119.36 115.86 1g3g n ILE 45 Ca 0.11 -0.06 -0.26 0.00 1.00 0.00 0.00 62.75 63.55 1g3g n ILE 45 Cb 0.45 -1.38 -0.15 0.00 -0.71 0.00 0.00 39.64 37.86 1g3g n ILE 45 CO 0.00 0.00 0.00 -0.60 0.00 0.00 0.00 176.55 175.95 1g3g s ARG 46 N 2.99 1.52 -0.28 0.38 3.52 -1.09 -5.06 118.95 120.92 1g3g s ARG 46 Ca 0.93 -0.79 -0.12 0.00 -0.13 0.00 0.00 55.73 55.63 1g3g s ARG 46 Cb -0.91 -1.52 -0.05 0.00 -1.56 0.00 0.00 34.95 30.91 1g3g s ARG 46 CO 0.56 0.41 0.21 -0.51 -0.81 0.00 0.00 175.30 175.16 1g3g s ASP 47 N -0.72 6.05 0.01 -2.12 1.11 -1.26 -2.14 116.67 117.59 1g3g s ASP 47 Ca 0.07 -0.02 -0.19 0.00 0.18 0.00 0.00 52.55 52.59 1g3g s ASP 47 Cb -0.08 -2.13 -0.06 0.00 1.07 0.00 0.00 42.92 41.72 1g3g s ASP 47 CO 0.00 -0.08 0.56 -0.76 1.18 0.00 0.00 175.17 176.07 1g3g s LEU 48 N 1.79 4.44 0.12 1.23 2.01 0.40 -4.96 118.68 123.71 1g3g s LEU 48 Ca 0.08 1.14 0.01 0.00 0.01 0.00 0.00 54.13 55.37 1g3g s LEU 48 Cb -0.16 -2.86 -0.04 0.00 0.01 0.00 0.00 46.19 43.13 1g3g s LEU 48 CO 0.11 0.16 -0.02 -0.44 1.01 0.00 0.00 176.35 177.18 1g3g s SER 49 N -0.47 0.86 0.02 2.29 0.01 -1.26 -0.93 113.70 114.22 1g3g s SER 49 Ca 0.29 -1.09 -0.14 0.00 1.31 0.00 0.00 55.95 56.32 1g3g s SER 49 Cb -0.18 0.16 0.02 0.00 0.21 0.00 0.00 66.02 66.23 1g3g s SER 49 CO 0.17 -0.57 0.30 0.00 0.41 0.00 0.00 173.24 173.55 1g3g s ALA 50 N -3.78 -0.71 -0.45 1.44 0.00 -1.06 -4.65 121.76 112.55 1g3g s ALA 50 Ca 0.17 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 51.98 1g3g s ALA 50 Cb 0.06 0.21 0.03 0.00 0.00 0.00 0.00 23.12 23.42 1g3g s ALA 50 CO -0.02 -0.34 1.12 -0.51 0.00 0.00 0.00 175.76 176.00 1g3g s ASP 51 N -1.73 6.68 0.31 0.00 1.01 -1.26 -4.46 116.67 117.23 1g3g s ASP 51 Ca -0.09 0.56 0.02 0.00 0.71 0.00 0.00 52.55 53.75 1g3g s ASP 51 Cb -0.03 -2.54 0.52 0.00 1.01 0.00 0.00 42.92 41.88 1g3g s ASP 51 CO 0.00 -1.17 1.85 0.40 0.21 0.00 0.00 175.17 176.46 1g3g h ILE 52 N 6.13 1.21 -0.63 0.77 2.04 -1.94 -2.67 117.51 122.42 1g3g h ILE 52 Ca -0.23 -0.81 0.09 0.00 1.00 0.00 0.00 64.86 64.91 1g3g h ILE 52 Cb 1.06 0.86 -0.04 0.00 -0.74 0.00 0.00 36.82 37.97 1g3g h ILE 52 CO 1.11 0.29 0.42 -1.28 0.00 0.00 0.00 178.15 178.68 1g3g h SER 53 N 0.60 0.46 -0.35 1.72 0.87 -1.99 -0.55 113.55 114.31 1g3g h SER 53 Ca 0.13 0.01 -0.08 0.00 -1.23 0.00 0.00 61.79 60.62 1g3g h SER 53 Cb 0.33 -0.09 -0.02 0.00 -0.44 0.00 0.00 62.40 62.18 1g3g h SER 53 CO 0.01 0.28 -0.06 1.56 -0.53 0.00 0.00 176.83 178.09 1g3g h GLN 54 N 0.52 0.76 -0.20 2.24 1.08 -1.78 -2.85 115.11 114.88 1g3g h GLN 54 Ca 0.28 -0.22 -0.19 0.00 -1.45 0.00 0.00 58.65 57.08 1g3g h GLN 54 Cb 0.44 -0.08 -0.00 0.00 -0.05 0.00 0.00 27.48 27.79 1g3g h GLN 54 CO -0.09 0.81 -0.62 0.28 -0.95 0.00 0.00 178.83 178.26 1g3g h VAL 55 N 0.70 1.31 -0.78 -0.54 2.07 -1.19 0.50 116.25 118.31 1g3g h VAL 55 Ca 0.13 -1.86 0.03 0.00 0.82 0.00 0.00 66.70 65.82 1g3g h VAL 55 Cb 0.51 1.82 -0.04 0.00 -1.52 0.00 0.00 31.29 32.06 1g3g h VAL 55 CO 0.03 0.59 0.52 0.25 0.02 0.00 0.00 177.57 178.97 1g3g h LEU 56 N 0.50 0.84 0.00 2.57 6.46 -1.15 -3.25 115.31 121.28 1g3g h LEU 56 Ca -0.01 -0.01 -0.12 0.00 -0.12 0.00 0.00 57.88 57.62 1g3g h LEU 56 Cb 1.21 -0.20 -0.02 0.00 -0.73 0.00 0.00 40.66 40.93 1g3g h LEU 56 CO 0.12 0.58 -0.94 0.29 -0.62 0.00 0.00 178.44 177.87 1g3g n LYS 57 N -4.45 0.51 -3.10 1.25 5.02 -1.09 -4.91 118.16 111.39 1g3g n LYS 57 Ca 0.10 0.51 -0.06 0.00 -2.02 0.00 0.00 58.31 56.84 1g3g n LYS 57 Cb 0.10 -1.69 0.00 0.00 -0.02 0.00 0.00 35.03 33.43 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.91 -0.52 0.00 0.00 177.40 174.97 1g3g n GLU 58 N -4.52 -1.61 -0.43 1.97 2.13 0.17 -4.97 120.64 113.39 1g3g n GLU 58 Ca -0.20 1.57 0.00 0.00 0.66 0.00 0.00 57.16 59.19 1g3g n GLU 58 Cb 0.47 -5.26 0.00 0.00 0.27 0.00 0.00 31.44 26.92 1g3g n GLU 58 CO 0.00 0.00 0.00 0.36 -0.41 0.00 0.00 177.13 177.08 1g3g n LYS 59 N -1.46 0.00 0.00 5.31 2.85 -1.26 -4.99 118.16 118.61 1g3g n LYS 59 Ca -0.01 -0.72 0.00 0.00 -1.05 0.00 0.00 58.31 56.54 1g3g n LYS 59 Cb 0.52 -0.39 0.00 0.00 -0.65 0.00 0.00 35.03 34.51 1g3g n LYS 59 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 177.40 177.89 1g3g n ARG 60 N 0.00 0.00 -3.46 -1.58 1.74 -1.26 -5.11 116.66 106.99 1g3g n ARG 60 Ca 0.00 0.00 -0.40 0.00 -0.77 0.00 0.00 57.85 56.68 1g3g n ARG 60 Cb 0.63 0.00 -0.10 0.00 -1.02 0.00 0.00 32.46 31.97 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1g3g s SER 61 N 0.00 6.15 -0.22 0.55 0.01 -1.26 -4.85 113.70 114.08 1g3g s SER 61 Ca 0.00 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.22 1g3g s SER 61 Cb 0.00 -2.18 0.04 0.00 0.21 0.00 0.00 66.02 64.09 1g3g s SER 61 CO 0.00 -0.22 0.90 0.00 0.41 0.00 0.00 173.24 174.33 1g3g n ILE 62 N 5.15 0.00 -3.07 1.44 0.13 -1.26 -4.45 119.36 117.30 1g3g n ILE 62 Ca -0.10 -0.44 0.00 0.00 -1.10 0.00 0.00 62.75 61.11 1g3g n ILE 62 Cb 0.50 0.55 -0.00 0.00 -0.84 0.00 0.00 39.64 39.85 1g3g n ILE 62 CO 0.00 0.00 0.00 -0.54 2.80 0.00 0.00 176.55 178.81 1g3g s LYS 63 N 0.02 0.79 -0.06 9.51 1.02 -1.26 -4.51 119.74 125.25 1g3g s LYS 63 Ca 0.02 -0.38 0.06 0.00 0.02 0.00 0.00 55.97 55.68 1g3g s LYS 63 Cb 0.04 0.06 -0.01 0.00 -0.52 0.00 0.00 37.83 37.40 1g3g s LYS 63 CO -0.01 -1.10 -0.23 0.21 -0.92 0.00 0.00 175.35 173.30 1g3g s LYS 64 N 1.67 2.54 -0.02 1.68 2.20 -1.11 -4.99 119.74 121.71 1g3g s LYS 64 Ca 0.19 -0.86 0.01 0.00 -0.36 0.00 0.00 55.97 54.95 1g3g s LYS 64 Cb -0.02 -2.21 0.01 0.00 -1.51 0.00 0.00 37.83 34.09 1g3g s LYS 64 CO -0.07 0.43 -0.04 0.08 -0.36 0.00 0.00 175.35 175.39 1g3g s VAL 65 N -0.27 0.36 -0.11 4.02 1.01 -1.26 0.83 120.40 124.97 1g3g s VAL 65 Ca 0.00 -0.13 -0.07 0.00 0.00 0.00 0.00 61.98 61.78 1g3g s VAL 65 Cb -0.13 -0.36 -0.04 0.00 0.00 0.00 0.00 36.38 35.86 1g3g s VAL 65 CO 0.03 0.14 0.15 0.26 0.00 0.00 0.00 175.10 175.67 1g3g s TRP 66 N 0.32 3.60 -0.07 5.22 0.51 0.48 -4.86 118.94 124.14 1g3g s TRP 66 Ca -0.03 0.55 0.01 0.00 -2.12 0.00 0.00 56.10 54.50 1g3g s TRP 66 Cb -0.07 -1.95 0.02 0.00 -0.81 0.00 0.00 33.47 30.66 1g3g s TRP 66 CO -0.00 0.74 -0.09 0.99 -0.51 0.00 0.00 176.95 178.07 1g3g s THR 67 N -1.03 0.96 -0.30 2.01 2.01 -1.26 0.21 115.64 118.23 1g3g s THR 67 Ca 0.15 -0.33 -0.13 0.00 0.31 0.00 0.00 61.69 61.69 1g3g s THR 67 Cb -0.12 -0.93 -0.03 0.00 0.01 0.00 0.00 72.50 71.43 1g3g s THR 67 CO 0.05 0.33 0.29 -0.36 -0.69 0.00 0.00 174.62 174.24 1g3g s PHE 68 N 1.05 3.23 -4.92 4.92 0.08 0.31 0.29 117.98 122.94 1g3g s PHE 68 Ca -0.08 0.14 0.00 0.00 0.12 0.00 0.00 56.93 57.11 1g3g s PHE 68 Cb -0.14 -2.52 0.00 0.00 -0.57 0.00 0.00 43.02 39.79 1g3g s PHE 68 CO -0.01 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 1g3g n GLY 69 N 4.93 -0.49 3.56 4.36 0.00 -1.24 0.32 105.19 116.62 1g3g n GLY 69 Ca -0.11 -1.08 -0.37 0.00 0.00 0.00 0.00 46.02 44.46 1g3g n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3g s ARG 70 N -1.97 3.23 0.11 1.61 1.70 -1.26 -3.91 118.95 118.46 1g3g s ARG 70 Ca 0.00 -0.71 -0.12 0.00 -0.47 0.00 0.00 55.73 54.43 1g3g s ARG 70 Cb 0.00 -5.09 0.01 0.00 -0.57 0.00 0.00 34.95 29.30 1g3g s ARG 70 CO 0.00 -2.53 0.29 0.54 -1.08 0.00 0.00 175.30 172.52 1g3g s ASN 71 N 5.78 -0.03 0.00 -2.89 6.03 -1.26 -4.69 114.94 117.88 1g3g s ASN 71 Ca 0.52 -0.55 0.05 0.00 -1.03 0.00 0.00 52.86 51.85 1g3g s ASN 71 Cb -0.03 0.41 0.21 0.00 -3.03 0.00 0.00 41.25 38.80 1g3g s ASN 71 CO -0.03 -0.81 1.10 -0.81 -2.03 0.00 0.00 177.10 174.52 1g3g n PRO 72 N -0.15 0.02 0.00 3.55 -0.04 -1.26 -4.21 135.00 132.91 1g3g n PRO 72 Ca -0.14 0.37 0.00 0.00 -0.04 0.00 0.00 63.50 63.68 1g3g n PRO 72 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3g n ALA 73 N -1.44 0.00 0.01 0.55 0.00 -1.26 -4.38 120.51 114.00 1g3g n ALA 73 Ca 0.01 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.44 1g3g n ALA 73 Cb 0.05 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.49 1g3g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3g n ASP 75 N -2.53 1.94 -3.81 0.00 -0.08 0.82 -4.34 116.55 108.55 1g3g n ASP 75 Ca -0.01 0.31 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1g3g n ASP 75 Cb 0.02 -0.85 -0.12 0.00 2.34 0.00 0.00 41.12 42.52 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1g3g s TYR 76 N -2.46 -0.18 -0.47 -0.67 6.14 -1.13 -4.88 117.35 113.70 1g3g s TYR 76 Ca -0.32 0.42 -0.19 0.00 0.64 0.00 0.00 57.07 57.62 1g3g s TYR 76 Cb 0.10 0.06 0.05 0.00 0.42 0.00 0.00 41.96 42.58 1g3g s TYR 76 CO 0.58 -0.14 0.57 -1.58 0.64 0.00 0.00 175.55 175.62 1g3g s HIS 77 N -0.14 3.09 0.24 4.97 5.65 -1.26 -3.95 115.29 123.88 1g3g s HIS 77 Ca -0.02 -0.46 0.04 0.00 0.25 0.00 0.00 55.06 54.87 1g3g s HIS 77 Cb -0.02 -3.33 -0.01 0.00 -1.18 0.00 0.00 32.58 28.03 1g3g s HIS 77 CO 0.01 -0.91 0.14 1.47 -0.65 0.00 0.00 174.74 174.79 1g3g n LEU 78 N 5.97 0.00 -4.61 8.88 -0.00 -1.25 -4.92 117.00 121.07 1g3g n LEU 78 Ca -0.06 -2.04 -0.30 0.00 -0.00 0.00 0.00 56.01 53.61 1g3g n LEU 78 Cb 0.46 0.89 0.20 0.00 -0.00 0.00 0.00 43.42 44.97 1g3g n LEU 78 CO 0.52 -0.33 0.62 -0.83 -0.00 0.00 0.00 177.39 177.37 1g3g s GLY 79 N -2.56 1.64 -0.41 1.47 0.00 -1.26 -4.62 107.32 101.57 1g3g s GLY 79 Ca 0.20 0.33 -0.04 0.00 0.00 0.00 0.00 44.72 45.21 1g3g s GLY 79 CO 0.14 0.85 0.22 0.54 0.00 0.00 0.00 173.10 174.86 1g3g s ASN 80 N -2.63 5.33 -0.21 1.64 4.22 -1.26 -4.12 114.94 117.90 1g3g s ASN 80 Ca 0.67 -1.96 -0.03 0.00 -2.14 0.00 0.00 52.86 49.39 1g3g s ASN 80 Cb -0.23 -1.86 -0.01 0.00 1.28 0.00 0.00 41.25 40.43 1g3g s ASN 80 CO 0.60 -0.56 -0.06 -0.63 -2.04 0.00 0.00 177.10 174.41 1g3g s ILE 81 N 1.19 3.24 0.62 0.54 -1.09 -1.26 -4.92 121.20 119.52 1g3g s ILE 81 Ca 0.07 -0.54 0.28 0.00 -2.23 0.00 0.00 60.65 58.23 1g3g s ILE 81 Cb -0.23 -2.46 0.34 0.00 -1.58 0.00 0.00 42.46 38.53 1g3g s ILE 81 CO -0.03 0.44 1.81 0.28 -1.23 0.00 0.00 174.94 176.21 1g3g h SER 82 N 8.03 0.00 0.00 3.58 0.02 -1.99 -3.27 113.55 119.92 1g3g h SER 82 Ca -0.41 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.54 1g3g h SER 82 Cb 1.16 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.70 1g3g h SER 82 CO 0.61 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.84 1g3g n ARG 83 N -3.39 0.00 -3.79 3.45 3.00 -1.26 -4.92 116.66 109.75 1g3g n ARG 83 Ca 0.06 0.00 -0.37 0.00 -0.01 0.00 0.00 57.85 57.53 1g3g n ARG 83 Cb 0.67 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 33.00 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 1g3g s LEU 84 N 0.00 3.89 0.00 0.55 1.43 -1.26 -4.49 118.68 118.81 1g3g s LEU 84 Ca 0.00 -0.87 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1g3g s LEU 84 Cb 0.00 -1.84 0.00 0.00 0.03 0.00 0.00 46.19 44.38 1g3g s LEU 84 CO 0.00 -0.22 0.00 -1.20 0.23 0.00 0.00 176.35 175.16 1g3g n SER 85 N 4.81 0.00 -3.38 2.29 7.64 -1.26 -4.84 113.62 118.88 1g3g n SER 85 Ca -0.14 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.74 1g3g n SER 85 Cb 0.47 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.67 1g3g n SER 85 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1g3g n ASN 86 N 0.00 -1.23 -1.73 6.43 2.04 -1.23 -3.67 115.26 115.87 1g3g n ASN 86 Ca 0.00 -0.00 0.00 0.00 -0.44 0.00 0.00 54.58 54.14 1g3g n ASN 86 Cb 0.00 0.00 0.00 0.00 -2.53 0.00 0.00 39.78 37.25 1g3g n ASN 86 CO 0.00 0.00 0.00 0.29 -0.44 0.00 0.00 177.26 177.11 1g3g n LYS 87 N -1.23 0.00 0.01 -3.83 5.02 -1.23 -4.04 118.16 112.85 1g3g n LYS 87 Ca 0.00 0.00 0.11 0.00 -2.02 0.00 0.00 58.31 56.40 1g3g n LYS 87 Cb 0.00 -0.44 -0.11 0.00 -0.02 0.00 0.00 35.03 34.46 1g3g n LYS 87 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 1g3g n HIS 88 N 1.50 0.14 -3.59 2.13 -0.00 0.15 -4.38 115.22 111.17 1g3g n HIS 88 Ca 0.00 0.04 -0.06 0.00 0.46 0.00 0.00 57.72 58.16 1g3g n HIS 88 Cb 0.10 -0.45 -0.04 0.00 -0.12 0.00 0.00 29.99 29.48 1g3g n HIS 88 CO 0.00 0.00 0.00 0.12 0.46 0.00 0.00 176.34 176.92 1g3g s PHE 89 N -3.36 -0.21 0.09 1.57 5.36 0.17 -2.63 117.98 118.96 1g3g s PHE 89 Ca -0.03 0.30 0.02 0.00 -0.96 0.00 0.00 56.93 56.26 1g3g s PHE 89 Cb 0.14 0.49 -0.04 0.00 -0.34 0.00 0.00 43.02 43.27 1g3g s PHE 89 CO 0.87 -0.24 -0.07 -0.65 -1.46 0.00 0.00 175.22 173.68 1g3g s GLN 90 N -1.58 0.77 -0.07 10.12 -0.21 0.35 0.11 119.66 129.16 1g3g s GLN 90 Ca 0.05 -1.22 0.03 0.00 0.02 0.00 0.00 55.36 54.24 1g3g s GLN 90 Cb -0.01 -0.23 0.00 0.00 1.00 0.00 0.00 33.01 33.78 1g3g s GLN 90 CO -0.04 -0.00 -0.17 0.42 -2.12 0.00 0.00 175.29 173.38 1g3g s ILE 91 N -3.16 1.52 -0.05 1.08 1.01 0.56 0.13 121.20 122.29 1g3g s ILE 91 Ca 0.07 -0.72 0.01 0.00 0.00 0.00 0.00 60.65 60.01 1g3g s ILE 91 Cb 0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1g3g s ILE 91 CO -0.04 0.44 -0.04 -0.76 0.00 0.00 0.00 174.94 174.54 1g3g s LEU 92 N 0.37 3.31 0.00 2.97 1.43 0.49 0.18 118.68 127.43 1g3g s LEU 92 Ca -0.13 -0.00 0.06 0.00 -1.03 0.00 0.00 54.13 53.03 1g3g s LEU 92 Cb -0.15 -1.79 -0.02 0.00 0.03 0.00 0.00 46.19 44.26 1g3g s LEU 92 CO 0.05 0.34 -0.19 -0.22 0.23 0.00 0.00 176.35 176.56 1g3g s LEU 93 N -1.05 2.08 0.00 1.79 2.96 0.24 0.75 118.68 125.45 1g3g s LEU 93 Ca 0.14 -0.39 0.00 0.00 -0.22 0.00 0.00 54.13 53.67 1g3g s LEU 93 Cb -0.11 -0.93 0.00 0.00 0.50 0.00 0.00 46.19 45.64 1g3g s LEU 93 CO 0.04 0.20 0.00 0.61 -1.32 0.00 0.00 176.35 175.88 1g3g n GLY 94 N 2.39 0.21 2.89 7.98 0.00 -0.92 -2.77 105.19 114.98 1g3g n GLY 94 Ca -0.16 -1.51 -0.10 0.00 0.00 0.00 0.00 46.02 44.25 1g3g n GLY 94 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1g3g n GLU 95 N 0.00 -2.37 0.00 1.61 4.71 -1.26 -1.82 120.64 121.51 1g3g n GLU 95 Ca 0.00 2.09 0.00 0.00 -0.01 0.00 0.00 57.16 59.24 1g3g n GLU 95 Cb 0.00 -5.45 0.00 0.00 -1.01 0.00 0.00 31.44 24.98 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1g3g n ASP 96 N -0.28 0.00 -2.67 1.62 9.92 -1.26 -2.99 116.55 120.88 1g3g n ASP 96 Ca 0.11 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.32 1g3g n ASP 96 Cb 0.47 0.00 0.06 0.00 -0.64 0.00 0.00 41.12 41.01 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g3g n GLY 97 N 0.00 -0.58 1.72 0.44 0.00 -1.25 -5.10 105.19 100.42 1g3g n GLY 97 Ca 0.00 0.28 -0.07 0.00 0.00 0.00 0.00 46.02 46.22 1g3g n GLY 97 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g3g n ASN 98 N -0.09 -0.70 -4.39 1.61 3.02 -0.75 -5.06 115.26 108.89 1g3g n ASN 98 Ca -0.13 -1.96 -0.29 0.00 -0.03 0.00 0.00 54.58 52.16 1g3g n ASN 98 Cb 0.72 1.30 -0.13 0.00 -0.61 0.00 0.00 39.78 41.06 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1g3g s LEU 99 N 0.00 2.33 0.04 3.41 2.01 -1.26 -2.17 118.68 123.04 1g3g s LEU 99 Ca 0.15 -0.68 0.03 0.00 0.01 0.00 0.00 54.13 53.64 1g3g s LEU 99 Cb -0.01 -1.28 -0.02 0.00 0.01 0.00 0.00 46.19 44.89 1g3g s LEU 99 CO 0.11 0.20 -0.10 -0.76 1.01 0.00 0.00 176.35 176.81 1g3g s LEU 100 N -1.83 2.22 -0.12 1.79 1.43 0.23 -1.99 118.68 120.42 1g3g s LEU 100 Ca 0.14 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.74 1g3g s LEU 100 Cb -0.10 -0.33 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 1g3g s LEU 100 CO 0.05 -0.11 -0.15 -0.76 0.23 0.00 0.00 176.35 175.62 1g3g s LEU 101 N -1.40 2.64 -0.30 1.79 1.02 0.40 0.18 118.68 123.02 1g3g s LEU 101 Ca -0.05 -0.34 -0.03 0.00 0.02 0.00 0.00 54.13 53.73 1g3g s LEU 101 Cb -0.09 -1.58 0.04 0.00 0.02 0.00 0.00 46.19 44.58 1g3g s LEU 101 CO 0.01 0.19 0.02 0.21 0.02 0.00 0.00 176.35 176.80 1g3g s ASN 102 N 0.20 4.90 -0.42 2.29 2.47 0.36 0.20 114.94 124.94 1g3g s ASN 102 Ca -0.09 -1.12 -0.26 0.00 0.42 0.00 0.00 52.86 51.81 1g3g s ASN 102 Cb -0.15 -1.75 0.02 0.00 -1.45 0.00 0.00 41.25 37.92 1g3g s ASN 102 CO 0.05 -0.24 0.93 -1.81 -3.72 0.00 0.00 177.10 172.31 1g3g s ASP 103 N 1.32 6.59 -0.27 -4.21 1.01 -1.24 0.13 116.67 120.01 1g3g s ASP 103 Ca -0.03 0.36 0.02 0.00 0.71 0.00 0.00 52.55 53.61 1g3g s ASP 103 Cb -0.19 -2.46 0.07 0.00 1.01 0.00 0.00 42.92 41.35 1g3g s ASP 103 CO -0.01 -0.96 -0.04 0.27 0.21 0.00 0.00 175.17 174.64 1g3g s ILE 104 N 3.65 1.80 0.30 0.77 -4.36 -1.23 0.77 121.20 122.89 1g3g s ILE 104 Ca 0.38 -1.57 0.03 0.00 -0.26 0.00 0.00 60.65 59.24 1g3g s ILE 104 Cb -0.11 -2.09 -0.06 0.00 1.25 0.00 0.00 42.46 41.45 1g3g s ILE 104 CO 0.23 -0.22 0.05 -0.44 0.24 0.00 0.00 174.94 174.80 1g3g s SER 105 N 1.24 2.07 -0.01 4.36 0.01 -1.08 0.45 113.70 120.73 1g3g s SER 105 Ca -0.02 -1.35 -0.14 0.00 1.31 0.00 0.00 55.95 55.75 1g3g s SER 105 Cb -0.19 -0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.94 1g3g s SER 105 CO -0.08 -0.61 0.75 0.74 0.41 0.00 0.00 173.24 174.45 1g3g h THR 106 N 2.23 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.34 1g3g h THR 106 Ca -0.40 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.30 1g3g h THR 106 Cb 1.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.62 1g3g h THR 106 CO 0.67 0.00 -1.56 -0.46 0.37 0.00 0.00 175.52 174.54 1g3g n ASN 107 N -4.32 3.08 -3.73 4.18 0.23 -1.26 -5.05 115.26 108.39 1g3g n ASN 107 Ca -0.06 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.20 0.43 -0.13 0.00 -2.08 0.00 0.00 39.78 38.21 1g3g n ASN 107 CO 0.00 0.00 0.00 -0.83 -0.93 0.00 0.00 177.26 175.50 1g3g s GLY 108 N -4.30 -0.15 -0.03 4.83 0.00 -1.26 -5.03 107.32 101.38 1g3g s GLY 108 Ca -0.07 1.01 0.07 0.00 0.00 0.00 0.00 44.72 45.73 1g3g s GLY 108 CO 0.30 1.26 -0.24 -1.59 0.00 0.00 0.00 173.10 172.83 1g3g s THR 109 N 1.24 1.93 0.12 0.90 2.01 -1.26 -4.14 115.64 116.44 1g3g s THR 109 Ca -0.09 -1.03 0.11 0.00 0.31 0.00 0.00 61.69 60.99 1g3g s THR 109 Cb -0.10 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.76 1g3g s THR 109 CO -0.08 0.54 -0.26 0.26 -0.69 0.00 0.00 174.62 174.39 1g3g s TRP 110 N -0.41 2.26 -0.23 4.92 0.51 0.49 0.04 118.94 126.51 1g3g s TRP 110 Ca 0.05 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.66 1g3g s TRP 110 Cb -0.11 -1.24 0.05 0.00 -0.81 0.00 0.00 33.47 31.36 1g3g s TRP 110 CO 0.01 0.30 -0.11 -1.17 -0.51 0.00 0.00 176.95 175.47 1g3g s LEU 111 N -1.93 2.87 -1.63 2.99 2.96 -0.28 0.13 118.68 123.78 1g3g s LEU 111 Ca 0.13 -1.16 -0.11 0.00 -0.22 0.00 0.00 54.13 52.76 1g3g s LEU 111 Cb -0.10 -1.39 0.10 0.00 0.50 0.00 0.00 46.19 45.30 1g3g s LEU 111 CO 0.05 -0.17 0.53 0.59 -1.32 0.00 0.00 176.35 176.03 1g3g n ASN 112 N 4.56 -1.57 -0.02 3.68 3.02 -0.12 0.27 115.26 125.08 1g3g n ASN 112 Ca -0.14 -1.09 -0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1g3g n ASN 112 Cb 0.44 -2.45 -0.00 0.00 -0.61 0.00 0.00 39.78 37.16 1g3g n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3g n GLY 113 N -1.70 0.39 2.69 7.41 0.00 -1.26 -5.02 105.19 107.70 1g3g n GLY 113 Ca -0.09 -1.05 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 1g3g n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3g s GLN 114 N -2.34 0.67 -0.30 1.61 0.74 0.14 -5.10 119.66 115.07 1g3g s GLN 114 Ca 0.00 -1.07 -0.43 0.00 0.05 0.00 0.00 55.36 53.91 1g3g s GLN 114 Cb 0.00 -1.85 -0.18 0.00 1.10 0.00 0.00 33.01 32.08 1g3g s GLN 114 CO 0.00 -1.02 1.54 1.17 -0.55 0.00 0.00 175.29 176.44 1g3g n LYS 115 N 4.77 0.46 -4.30 1.67 3.00 -1.26 -1.12 118.16 121.38 1g3g n LYS 115 Ca -0.01 0.17 -0.23 0.00 -0.00 0.00 0.00 58.31 58.24 1g3g n LYS 115 Cb 0.41 -1.74 -0.07 0.00 0.00 0.00 0.00 35.03 33.63 1g3g n LYS 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 1g3g s VAL 116 N 2.50 3.29 0.34 3.15 0.11 0.11 -4.84 120.40 125.06 1g3g s VAL 116 Ca 0.99 -1.95 -0.28 0.00 -2.93 0.00 0.00 61.98 57.81 1g3g s VAL 116 Cb -1.28 -2.80 -0.09 0.00 -1.53 0.00 0.00 36.38 30.68 1g3g s VAL 116 CO 0.70 -0.36 1.18 -0.70 -3.33 0.00 0.00 175.10 172.59 1g3g s GLU 117 N -3.67 4.34 0.95 1.54 2.12 -1.26 -4.21 118.70 118.51 1g3g s GLU 117 Ca 0.32 1.92 -0.11 0.00 0.36 0.00 0.00 54.97 57.46 1g3g s GLU 117 Cb -0.06 -2.96 0.16 0.00 0.26 0.00 0.00 34.13 31.54 1g3g s GLU 117 CO 0.20 -0.09 1.09 0.21 -0.54 0.00 0.00 175.26 176.12 1g3g s LYS 118 N -1.87 0.79 -1.32 4.30 2.20 -1.26 -3.06 119.74 119.52 1g3g s LYS 118 Ca 0.50 1.05 -0.17 0.00 -0.36 0.00 0.00 55.97 56.99 1g3g s LYS 118 Cb -0.33 -1.74 0.17 0.00 -1.51 0.00 0.00 37.83 34.42 1g3g s LYS 118 CO 0.43 -2.63 0.42 0.09 -0.36 0.00 0.00 175.35 173.30 1g3g n ASN 119 N -4.18 -1.35 -4.23 1.43 3.02 0.23 -4.85 115.26 105.33 1g3g n ASN 119 Ca 0.08 -0.83 -0.37 0.00 -0.03 0.00 0.00 54.58 53.42 1g3g n ASN 119 Cb 0.54 -1.19 -0.12 0.00 -0.61 0.00 0.00 39.78 38.39 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1g3g s SER 120 N -2.62 5.23 0.38 6.41 1.04 -1.17 -4.92 113.70 118.05 1g3g s SER 120 Ca 0.59 -1.30 -0.27 0.00 0.48 0.00 0.00 55.95 55.44 1g3g s SER 120 Cb -0.34 -1.83 -0.11 0.00 0.10 0.00 0.00 66.02 63.84 1g3g s SER 120 CO 0.72 -0.35 1.42 0.59 0.98 0.00 0.00 173.24 176.59 1g3g n ASN 121 N 4.75 3.39 -4.14 7.02 4.13 -1.25 -3.61 115.26 125.54 1g3g n ASN 121 Ca -0.11 1.20 -0.20 0.00 1.68 0.00 0.00 54.58 57.14 1g3g n ASN 121 Cb 0.44 -1.58 -0.13 0.00 -1.54 0.00 0.00 39.78 36.97 1g3g n ASN 121 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1g3g s GLN 122 N -2.11 0.96 -0.18 3.52 -1.52 0.53 -4.82 119.66 116.04 1g3g s GLN 122 Ca 0.55 -0.74 -0.29 0.00 -1.95 0.00 0.00 55.36 52.93 1g3g s GLN 122 Cb -0.50 -0.97 -0.02 0.00 -0.22 0.00 0.00 33.01 31.30 1g3g s GLN 122 CO 0.62 0.24 1.42 -1.17 -0.25 0.00 0.00 175.29 176.16 1g3g s LEU 123 N -1.07 4.09 0.37 2.90 2.96 -1.26 0.15 118.68 126.82 1g3g s LEU 123 Ca 0.02 1.69 -0.24 0.00 -0.22 0.00 0.00 54.13 55.38 1g3g s LEU 123 Cb -0.08 -3.54 -0.14 0.00 0.50 0.00 0.00 46.19 42.94 1g3g s LEU 123 CO 0.01 -0.96 0.56 -0.11 -1.32 0.00 0.00 176.35 174.53 1g3g n LEU 124 N 7.30 -0.23 -4.27 -0.68 7.94 -0.84 -4.87 117.00 121.34 1g3g n LEU 124 Ca 0.16 0.97 -0.21 0.00 -1.11 0.00 0.00 56.01 55.82 1g3g n LEU 124 Cb 0.45 -1.09 -0.12 0.00 0.53 0.00 0.00 43.42 43.19 1g3g n LEU 124 CO 0.60 -2.81 -0.48 -0.44 -1.11 0.00 0.00 177.39 173.15 1g3g s SER 125 N -0.90 2.31 -0.27 1.96 0.01 -1.26 -5.02 113.70 110.52 1g3g s SER 125 Ca 0.62 -0.76 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1g3g s SER 125 Cb -0.67 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.43 1g3g s SER 125 CO 0.59 -0.04 1.53 -1.58 0.41 0.00 0.00 173.24 174.14 1g3g s GLN 126 N -2.35 3.76 -1.19 12.44 -0.44 -1.26 -2.54 119.66 128.07 1g3g s GLN 126 Ca 0.09 1.45 0.00 0.00 -2.50 0.00 0.00 55.36 54.39 1g3g s GLN 126 Cb -0.07 -4.01 0.00 0.00 -1.64 0.00 0.00 33.01 27.29 1g3g s GLN 126 CO 0.04 -1.34 0.00 0.41 0.50 0.00 0.00 175.29 174.91 1g3g n GLY 127 N 4.70 -0.05 3.48 2.59 0.00 -1.19 -4.97 105.19 109.74 1g3g n GLY 127 Ca 0.18 -0.32 -0.32 0.00 0.00 0.00 0.00 46.02 45.55 1g3g n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g3g n ASP 128 N -0.56 -1.44 -3.77 1.61 2.03 -1.05 -4.58 116.55 108.78 1g3g n ASP 128 Ca -0.16 0.33 -0.13 0.00 0.52 0.00 0.00 54.79 55.35 1g3g n ASP 128 Cb 0.61 -1.27 -0.13 0.00 -0.72 0.00 0.00 41.12 39.61 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 -1.92 0.00 0.00 177.20 174.58 1g3g s GLU 129 N -3.91 0.22 -0.14 -0.67 2.12 -1.26 0.56 118.70 115.63 1g3g s GLU 129 Ca 0.60 0.40 0.00 0.00 0.36 0.00 0.00 54.97 56.33 1g3g s GLU 129 Cb -0.21 0.00 -0.01 0.00 0.26 0.00 0.00 34.13 34.17 1g3g s GLU 129 CO 0.65 -0.09 -0.14 0.42 -0.54 0.00 0.00 175.26 175.55 1g3g s ILE 130 N 0.65 2.89 -0.04 -3.70 1.01 0.27 -0.95 121.20 121.32 1g3g s ILE 130 Ca -0.04 -0.71 -0.02 0.00 0.00 0.00 0.00 60.65 59.87 1g3g s ILE 130 Cb -0.06 -2.21 -0.04 0.00 0.01 0.00 0.00 42.46 40.17 1g3g s ILE 130 CO -0.04 0.52 0.10 -0.89 0.00 0.00 0.00 174.94 174.63 1g3g s THR 131 N 0.49 4.93 0.04 2.92 2.01 0.34 0.10 115.64 126.47 1g3g s THR 131 Ca -0.10 -0.23 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 1g3g s THR 131 Cb -0.16 -3.22 -0.02 0.00 0.01 0.00 0.00 72.50 69.11 1g3g s THR 131 CO 0.04 0.43 0.01 0.68 -0.69 0.00 0.00 174.62 175.10 1g3g s VAL 132 N -1.14 0.16 -0.57 3.82 -7.23 0.48 0.18 120.40 116.10 1g3g s VAL 132 Ca 0.21 -1.30 -0.03 0.00 -1.81 0.00 0.00 61.98 59.05 1g3g s VAL 132 Cb -0.12 -0.93 0.00 0.00 0.56 0.00 0.00 36.38 35.90 1g3g s VAL 132 CO 0.11 -0.72 0.38 0.61 -0.31 0.00 0.00 175.10 175.17 1g3g n GLY 133 N 0.78 0.30 3.79 2.32 0.00 -1.26 0.37 105.19 111.50 1g3g n GLY 133 Ca -0.19 -0.35 -0.32 0.00 0.00 0.00 0.00 46.02 45.16 1g3g n GLY 133 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 134 N -2.99 3.67 0.00 1.61 1.01 -1.26 -3.90 120.40 118.54 1g3g s VAL 134 Ca 0.19 0.71 0.00 0.00 0.00 0.00 0.00 61.98 62.88 1g3g s VAL 134 Cb -0.08 -3.27 0.00 0.00 0.00 0.00 0.00 36.38 33.02 1g3g s VAL 134 CO 0.23 -0.54 0.00 0.61 0.00 0.00 0.00 175.10 175.40 1g3g n GLY 135 N -1.08 2.40 3.12 4.51 0.00 -1.26 -5.01 105.19 107.87 1g3g n GLY 135 Ca 0.09 -0.27 -0.25 0.00 0.00 0.00 0.00 46.02 45.59 1g3g n GLY 135 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1g3g s VAL 136 N 0.00 1.35 0.42 1.61 1.01 -1.26 -5.02 120.40 118.50 1g3g s VAL 136 Ca 0.00 -0.68 0.18 0.00 0.00 0.00 0.00 61.98 61.49 1g3g s VAL 136 Cb 0.00 -1.16 0.39 0.00 0.00 0.00 0.00 36.38 35.61 1g3g s VAL 136 CO 0.00 0.39 1.83 -0.08 0.00 0.00 0.00 175.10 177.24 1g3g h GLU 137 N 6.21 0.38 -0.33 2.72 4.22 -1.99 0.51 114.58 126.30 1g3g h GLU 137 Ca -0.33 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.09 1g3g h GLU 137 Cb 1.17 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 30.34 1g3g h GLU 137 CO 0.48 0.25 0.00 0.45 -2.18 0.00 0.00 179.01 178.01 1g3g n SER 138 N -4.53 2.54 -0.77 1.04 2.88 -1.26 -4.12 113.62 109.40 1g3g n SER 138 Ca 0.21 -1.89 0.06 0.00 -1.33 0.00 0.00 58.87 55.92 1g3g n SER 138 Cb 0.76 -0.22 0.15 0.00 -0.75 0.00 0.00 64.21 64.16 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1g3g n ASP 139 N 0.89 1.53 -4.74 -3.46 2.03 0.18 -5.04 116.55 107.94 1g3g n ASP 139 Ca 0.17 -3.30 -0.35 0.00 0.52 0.00 0.00 54.79 51.84 1g3g n ASP 139 Cb 0.45 -0.45 -0.08 0.00 -0.72 0.00 0.00 41.12 40.31 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1g3g s ILE 140 N -2.30 4.59 -0.09 5.18 1.01 -1.09 -4.40 121.20 124.11 1g3g s ILE 140 Ca 0.35 -0.22 0.02 0.00 0.00 0.00 0.00 60.65 60.81 1g3g s ILE 140 Cb 0.35 -2.98 -0.02 0.00 0.01 0.00 0.00 42.46 39.82 1g3g s ILE 140 CO -0.08 0.55 -0.15 -0.76 0.00 0.00 0.00 174.94 174.49 1g3g s LEU 141 N -1.11 2.64 0.18 2.97 2.01 0.16 -4.97 118.68 120.57 1g3g s LEU 141 Ca 0.16 -0.29 0.11 0.00 0.01 0.00 0.00 54.13 54.11 1g3g s LEU 141 Cb -0.12 -1.56 -0.04 0.00 0.01 0.00 0.00 46.19 44.48 1g3g s LEU 141 CO 0.05 0.25 -0.22 -0.44 1.01 0.00 0.00 176.35 177.00 1g3g s SER 142 N -0.19 3.54 0.00 2.29 0.01 -1.26 0.18 113.70 118.27 1g3g s SER 142 Ca -0.00 -0.81 0.02 0.00 1.31 0.00 0.00 55.95 56.46 1g3g s SER 142 Cb -0.13 -0.32 -0.01 0.00 0.21 0.00 0.00 66.02 65.77 1g3g s SER 142 CO 0.03 0.13 -0.06 -0.76 0.41 0.00 0.00 173.24 172.99 1g3g s LEU 143 N -2.61 2.05 -0.01 2.44 1.43 0.28 -4.14 118.68 118.12 1g3g s LEU 143 Ca 0.21 -0.18 0.07 0.00 -1.03 0.00 0.00 54.13 53.20 1g3g s LEU 143 Cb -0.08 -0.29 -0.02 0.00 0.03 0.00 0.00 46.19 45.83 1g3g s LEU 143 CO 0.10 0.03 -0.21 -0.69 0.23 0.00 0.00 176.35 175.82 1g3g s VAL 144 N -0.32 1.65 -0.19 -1.59 1.01 -0.42 0.95 120.40 121.48 1g3g s VAL 144 Ca 0.01 -0.95 -0.05 0.00 0.00 0.00 0.00 61.98 60.99 1g3g s VAL 144 Cb -0.03 -1.39 -0.02 0.00 0.00 0.00 0.00 36.38 34.94 1g3g s VAL 144 CO -0.00 0.42 -0.01 -0.63 0.00 0.00 0.00 175.10 174.88 1g3g s ILE 145 N -0.54 3.94 -0.24 2.22 1.09 0.19 0.19 121.20 128.05 1g3g s ILE 145 Ca 0.08 -0.32 -0.04 0.00 -1.10 0.00 0.00 60.65 59.27 1g3g s ILE 145 Cb -0.08 -2.77 0.00 0.00 -1.06 0.00 0.00 42.46 38.55 1g3g s ILE 145 CO -0.00 0.45 -0.03 0.12 -0.10 0.00 0.00 174.94 175.37 1g3g s PHE 146 N 0.83 3.01 -0.10 3.97 5.36 0.50 -2.97 117.98 128.57 1g3g s PHE 146 Ca 0.00 -1.05 -0.14 0.00 -0.96 0.00 0.00 56.93 54.78 1g3g s PHE 146 Cb -0.14 -2.12 -0.05 0.00 -0.34 0.00 0.00 43.02 40.37 1g3g s PHE 146 CO 0.02 -0.58 0.33 0.42 -1.46 0.00 0.00 175.22 173.94 1g3g s ILE 147 N 1.45 5.23 -0.09 3.12 1.09 -1.26 0.11 121.20 130.86 1g3g s ILE 147 Ca 0.04 0.64 -0.30 0.00 -1.10 0.00 0.00 60.65 59.93 1g3g s ILE 147 Cb -0.15 -3.64 -0.03 0.00 -1.06 0.00 0.00 42.46 37.57 1g3g s ILE 147 CO -0.03 0.47 1.30 0.20 -0.10 0.00 0.00 174.94 176.78 1g3g s ASN 148 N -0.21 6.94 0.22 3.58 -0.87 -1.26 -4.92 114.94 118.42 1g3g s ASN 148 Ca 0.20 1.85 -0.09 0.00 -1.57 0.00 0.00 52.86 53.24 1g3g s ASN 148 Cb -0.14 -2.55 0.18 0.00 -0.02 0.00 0.00 41.25 38.72 1g3g s ASN 148 CO 0.08 -0.71 1.88 -0.78 -2.57 0.00 0.00 177.10 175.00 1g3g h ASP 149 N 8.00 0.96 -0.71 -1.22 3.58 -1.96 -2.27 116.42 122.79 1g3g h ASP 149 Ca -0.32 -0.04 0.04 0.00 0.42 0.00 0.00 57.03 57.13 1g3g h ASP 149 Cb 1.14 -0.24 -0.05 0.00 1.72 0.00 0.00 39.33 41.90 1g3g h ASP 149 CO 0.93 0.71 0.43 0.07 -2.88 0.00 0.00 179.24 178.51 1g3g h LYS 150 N 1.12 0.81 -0.53 0.28 2.10 -1.91 -1.75 116.57 116.69 1g3g h LYS 150 Ca 0.30 -0.05 -0.00 0.00 -2.00 0.00 0.00 60.65 58.90 1g3g h LYS 150 Cb -0.09 -0.18 -0.03 0.00 -0.90 0.00 0.00 32.23 31.03 1g3g h LYS 150 CO -0.06 0.54 0.32 0.35 -2.00 0.00 0.00 179.45 178.60 1g3g h PHE 151 N 0.84 0.70 -0.46 0.07 3.04 -1.56 -2.19 116.94 117.38 1g3g h PHE 151 Ca 0.29 -0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.24 1g3g h PHE 151 Cb 0.06 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.32 1g3g h PHE 151 CO -0.05 0.48 0.29 -0.22 -2.02 0.00 0.00 178.31 176.80 1g3g h LYS 152 N 0.72 0.61 -0.50 1.11 3.64 -0.87 -2.24 116.57 119.03 1g3g h LYS 152 Ca 0.19 -0.04 0.02 0.00 -1.27 0.00 0.00 60.65 59.55 1g3g h LYS 152 Cb -0.02 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.64 1g3g h LYS 152 CO -0.04 0.41 0.30 0.37 -2.27 0.00 0.00 179.45 178.23 1g3g h GLN 153 N 0.62 0.59 -0.42 1.90 4.15 -0.68 0.65 115.11 121.93 1g3g h GLN 153 Ca 0.17 -0.04 -0.04 0.00 0.77 0.00 0.00 58.65 59.51 1g3g h GLN 153 Cb -0.05 -0.13 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1g3g h GLN 153 CO -0.03 0.39 0.11 0.00 -1.93 0.00 0.00 178.83 177.37 1g3g h LEU 155 N 0.54 0.87 -0.99 0.00 -0.00 -1.09 0.90 115.31 115.53 1g3g h LEU 155 Ca 0.13 -0.35 0.04 0.00 -0.00 0.00 0.00 57.88 57.70 1g3g h LEU 155 Cb 0.29 -0.24 -0.06 0.00 -0.00 0.00 0.00 40.66 40.65 1g3g h LEU 155 CO -0.00 1.10 0.65 -0.08 -0.00 0.00 0.00 178.44 180.11 1g3g h GLU 156 N 0.71 1.20 0.00 1.13 4.81 0.48 -2.71 114.58 120.20 1g3g h GLU 156 Ca 0.08 -0.07 -0.26 0.00 -0.13 0.00 0.00 59.36 58.98 1g3g h GLU 156 Cb 0.85 -0.27 -0.05 0.00 0.63 0.00 0.00 28.75 29.91 1g3g h GLU 156 CO 0.07 0.80 -1.72 0.94 -0.73 0.00 0.00 179.01 178.37 1g3g n GLN 157 N -4.46 0.64 -3.18 1.92 7.27 -0.93 -5.04 117.38 113.59 1g3g n GLN 157 Ca 0.14 0.23 -0.06 0.00 0.07 0.00 0.00 57.00 57.37 1g3g n GLN 157 Cb 0.11 -1.76 0.01 0.00 2.41 0.00 0.00 30.24 31.01 1g3g n GLN 157 CO 0.00 0.00 0.00 0.27 0.07 0.00 0.00 177.06 177.40 1g3g n ASN 158 N -2.94 -6.58 -4.76 1.69 0.23 0.31 -4.81 115.26 98.39 1g3g n ASN 158 Ca -0.17 0.43 -0.41 0.00 -0.53 0.00 0.00 54.58 53.90 1g3g n ASN 158 Cb 0.99 -2.07 -0.01 0.00 -2.08 0.00 0.00 39.78 36.61 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1g3g s LYS 159 N -1.33 4.14 -0.24 -3.83 1.02 -1.26 -4.99 119.74 113.26 1g3g s LYS 159 Ca 0.07 2.54 -0.09 0.00 0.02 0.00 0.00 55.97 58.50 1g3g s LYS 159 Cb -0.01 -3.02 -0.04 0.00 -0.52 0.00 0.00 37.83 34.24 1g3g s LYS 159 CO 0.24 -0.58 0.11 0.14 -0.92 0.00 0.00 175.35 174.34 1g3g s VAL 160 N -0.25 4.87 0.33 3.17 -7.23 -1.26 -5.02 120.40 115.00 1g3g s VAL 160 Ca 0.60 0.01 -0.29 0.00 -1.81 0.00 0.00 61.98 60.50 1g3g s VAL 160 Cb -0.47 -3.27 -0.10 0.00 0.56 0.00 0.00 36.38 33.10 1g3g s VAL 160 CO 0.51 0.35 1.32 -0.62 -0.31 0.00 0.00 175.10 176.34 1g3g s ASP 161 N 1.25 6.75 -0.22 4.85 2.15 -1.26 -4.95 116.67 125.24 1g3g s ASP 161 Ca 0.06 2.70 0.06 0.00 0.43 0.00 0.00 52.55 55.80 1g3g s ASP 161 Cb -0.14 -2.65 -0.20 0.00 -0.30 0.00 0.00 42.92 39.62 1g3g s ASP 161 CO 0.05 -0.56 -0.04 0.54 -0.17 0.00 0.00 175.17 174.99 1g3g n ARG 162 N 0.86 0.67 -3.26 4.34 5.12 -1.26 -4.89 116.66 118.24 1g3g n ARG 162 Ca 0.00 0.13 -0.40 0.00 -1.93 0.00 0.00 57.85 55.66 1g3g n ARG 162 Cb 0.42 -1.56 -0.08 0.00 -1.16 0.00 0.00 32.46 30.08 1g3g n ARG 162 CO 0.00 0.00 0.00 0.42 -1.93 0.00 0.00 177.63 176.12 1g3g s ILE 163 N -2.52 5.09 0.00 0.55 1.09 -1.26 -5.36 121.20 118.79 1g3g s ILE 163 Ca -0.26 0.85 0.00 0.00 -1.10 0.00 0.00 60.65 60.14 1g3g s ILE 163 Cb 0.08 -3.81 0.00 0.00 -1.06 0.00 0.00 42.46 37.67 1g3g s ILE 163 CO 0.69 0.11 0.00 0.54 -0.10 0.00 0.00 174.94 176.18