#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g h GLU 2 N 0.00 0.17 -6.31 1.61 4.81 -2.09 -3.48 114.58 109.29 1g3g h GLU 2 Ca 0.00 -0.30 -0.45 0.00 -0.13 0.00 0.00 59.36 58.48 1g3g h GLU 2 Cb 0.00 0.11 -0.00 0.00 0.63 0.00 0.00 28.75 29.49 1g3g h GLU 2 CO 0.00 1.14 -0.32 0.54 -0.73 0.00 0.00 179.01 179.64 1g3g s ASN 3 N -6.85 5.44 -0.44 1.04 2.20 -1.26 -5.06 114.94 110.00 1g3g s ASN 3 Ca -0.20 -0.52 -0.29 0.00 -0.94 0.00 0.00 52.86 50.91 1g3g s ASN 3 Cb 0.03 -0.70 0.02 0.00 -2.00 0.00 0.00 41.25 38.60 1g3g s ASN 3 CO 0.74 -0.66 1.21 -0.51 -2.94 0.00 0.00 177.10 174.93 1g3g s ILE 4 N -2.38 4.15 0.18 0.54 1.10 -1.26 -4.98 121.20 118.56 1g3g s ILE 4 Ca 0.51 1.19 -0.08 0.00 -0.51 0.00 0.00 60.65 61.75 1g3g s ILE 4 Cb -0.07 -4.48 -0.01 0.00 0.15 0.00 0.00 42.46 38.05 1g3g s ILE 4 CO 0.30 -0.89 0.29 0.28 -2.11 0.00 0.00 174.94 172.81 1g3g s THR 5 N 4.63 0.05 -0.90 4.00 -1.32 -1.26 -4.98 115.64 115.85 1g3g s THR 5 Ca 0.51 -1.48 -0.04 0.00 -1.21 0.00 0.00 61.69 59.48 1g3g s THR 5 Cb -0.09 -1.99 -0.03 0.00 -1.51 0.00 0.00 72.50 68.88 1g3g s THR 5 CO 0.30 -0.22 0.81 1.67 -2.21 0.00 0.00 174.62 174.97 1g3g n GLN 6 N -0.25 -1.76 -0.49 7.08 7.27 -1.26 -4.92 117.38 123.05 1g3g n GLN 6 Ca -0.05 1.15 -0.22 0.00 0.07 0.00 0.00 57.00 57.95 1g3g n GLN 6 Cb 0.63 -5.67 0.18 0.00 2.41 0.00 0.00 30.24 27.79 1g3g n GLN 6 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1g3g n PRO 7 N -2.57 -2.63 -3.73 3.69 -0.02 -1.26 -5.05 135.00 123.42 1g3g n PRO 7 Ca -0.04 -0.78 -0.21 0.00 -2.02 0.00 0.00 63.50 60.45 1g3g n PRO 7 Cb 0.56 -1.58 -0.04 0.00 -0.02 0.00 0.00 33.50 32.42 1g3g n PRO 7 CO 0.00 0.00 0.00 0.25 1.98 0.00 0.00 175.50 177.73 1g3g n THR 8 N -4.65 0.00 -4.29 3.45 -2.24 -1.26 -5.16 114.28 100.13 1g3g n THR 8 Ca 0.06 -1.58 -0.28 0.00 -2.27 0.00 0.00 64.05 59.98 1g3g n THR 8 Cb 0.43 0.29 -0.10 0.00 -2.10 0.00 0.00 70.33 68.84 1g3g n THR 8 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1g3g s GLN 9 N -3.23 1.93 -0.28 -0.78 2.00 -1.26 -5.06 119.66 112.98 1g3g s GLN 9 Ca 0.01 -1.20 -0.28 0.00 -2.00 0.00 0.00 55.36 51.89 1g3g s GLN 9 Cb -0.00 -2.15 -0.04 0.00 0.80 0.00 0.00 33.01 31.62 1g3g s GLN 9 CO 0.01 0.46 2.09 -1.14 -0.50 0.00 0.00 175.29 176.22 1g3g s GLN 10 N -2.43 3.12 0.00 1.67 0.74 -1.26 -4.97 119.66 116.53 1g3g s GLN 10 Ca 0.21 1.78 0.00 0.00 0.05 0.00 0.00 55.36 57.40 1g3g s GLN 10 Cb -0.10 -4.33 0.00 0.00 1.10 0.00 0.00 33.01 29.68 1g3g s GLN 10 CO 0.13 -2.12 0.00 -1.13 -0.55 0.00 0.00 175.29 171.62 1g3g n SER 11 N 11.55 -0.36 -4.73 6.67 3.41 -1.26 -4.96 113.62 123.94 1g3g n SER 11 Ca 0.28 -0.69 -0.42 0.00 -0.26 0.00 0.00 58.87 57.78 1g3g n SER 11 Cb 0.46 0.00 -0.01 0.00 -0.26 0.00 0.00 64.21 64.40 1g3g n SER 11 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 1g3g n THR 12 N -1.94 1.74 -4.09 6.66 -1.04 -1.26 -5.01 114.28 109.33 1g3g n THR 12 Ca 0.00 -0.43 -0.13 0.00 -2.04 0.00 0.00 64.05 61.45 1g3g n THR 12 Cb 0.00 -1.76 -0.11 0.00 -1.82 0.00 0.00 70.33 66.64 1g3g n THR 12 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g3g s GLN 13 N -1.59 0.60 0.00 -2.82 -2.07 -1.26 -5.16 119.66 107.36 1g3g s GLN 13 Ca 0.57 -0.89 0.00 0.00 -1.82 0.00 0.00 55.36 53.22 1g3g s GLN 13 Cb -0.53 -0.28 0.00 0.00 -1.09 0.00 0.00 33.01 31.10 1g3g s GLN 13 CO 0.59 0.04 0.00 0.00 -1.32 0.00 0.00 175.29 174.60 1g3g n ALA 14 N 1.12 0.00 -1.10 2.60 0.00 -1.26 -5.04 120.51 116.84 1g3g n ALA 14 Ca -0.20 0.00 -0.34 0.00 0.00 0.00 0.00 53.44 52.90 1g3g n ALA 14 Cb 0.56 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 19.98 1g3g n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g3g n THR 15 N 0.00 2.74 -0.17 0.00 -2.24 -1.26 -4.62 114.28 108.74 1g3g n THR 15 Ca 0.00 -1.91 -0.08 0.00 -2.27 0.00 0.00 64.05 59.79 1g3g n THR 15 Cb 0.00 -2.34 0.01 0.00 -2.10 0.00 0.00 70.33 65.90 1g3g n THR 15 CO 0.00 0.00 0.00 0.06 -0.57 0.00 0.00 175.07 174.56 1g3g h GLN 16 N 6.48 0.69 -0.59 -0.78 3.07 -2.01 -2.59 115.11 119.37 1g3g h GLN 16 Ca 0.55 -0.10 -0.02 0.00 0.09 0.00 0.00 58.65 59.17 1g3g h GLN 16 Cb 0.39 -0.13 -0.03 0.00 0.08 0.00 0.00 27.48 27.80 1g3g h GLN 16 CO 1.71 0.58 0.29 -0.09 0.09 0.00 0.00 178.83 181.41 1g3g h ARG 17 N 0.64 0.83 -0.69 0.06 9.65 -2.02 -2.14 114.38 120.71 1g3g h ARG 17 Ca 0.17 -0.10 0.07 0.00 -1.10 0.00 0.00 59.98 59.01 1g3g h ARG 17 Cb 0.11 -0.16 -0.04 0.00 -1.39 0.00 0.00 29.97 28.49 1g3g h ARG 17 CO -0.02 0.64 0.46 0.35 2.80 0.00 0.00 179.97 184.19 1g3g h PHE 18 N 0.83 0.71 -0.89 2.20 3.04 -1.84 -1.23 116.94 119.76 1g3g h PHE 18 Ca 0.21 0.02 -0.01 0.00 3.98 0.00 0.00 57.97 62.16 1g3g h PHE 18 Cb 0.07 -0.23 -0.04 0.00 2.56 0.00 0.00 35.95 38.31 1g3g h PHE 18 CO 0.01 0.37 0.51 -0.07 -2.02 0.00 0.00 178.31 177.11 1g3g h LEU 19 N 0.70 1.09 -0.54 0.59 3.38 -1.28 -2.44 115.31 116.81 1g3g h LEU 19 Ca 0.30 -0.09 -0.15 0.00 0.09 0.00 0.00 57.88 58.03 1g3g h LEU 19 Cb 0.29 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.76 1g3g h LEU 19 CO -0.10 0.86 -0.48 0.40 0.09 0.00 0.00 178.44 179.21 1g3g h ILE 20 N 1.23 1.30 -0.74 1.22 1.08 -1.28 -3.11 117.51 117.22 1g3g h ILE 20 Ca 0.32 -1.69 0.05 0.00 -0.39 0.00 0.00 64.86 63.15 1g3g h ILE 20 Cb -0.01 1.64 -0.05 0.00 -3.07 0.00 0.00 36.82 35.33 1g3g h ILE 20 CO -0.05 0.53 0.45 -0.08 -0.69 0.00 0.00 178.15 178.31 1g3g h GLU 21 N 0.49 0.82 -0.71 2.37 4.22 -0.89 -0.93 114.58 119.96 1g3g h GLU 21 Ca 0.03 -0.05 -0.02 0.00 0.08 0.00 0.00 59.36 59.40 1g3g h GLU 21 Cb 1.02 -0.19 -0.03 0.00 0.50 0.00 0.00 28.75 30.05 1g3g h GLU 21 CO 0.10 0.54 0.36 0.87 -2.18 0.00 0.00 179.01 178.70 1g3g h LYS 22 N 0.85 1.00 -0.18 1.92 1.57 -1.42 -0.80 116.57 119.52 1g3g h LYS 22 Ca 0.32 -0.13 -0.01 0.00 -1.87 0.00 0.00 60.65 58.95 1g3g h LYS 22 Cb 0.11 -0.19 -0.01 0.00 0.08 0.00 0.00 32.23 32.23 1g3g h LYS 22 CO -0.15 0.77 0.07 0.35 -0.57 0.00 0.00 179.45 179.92 1g3g h PHE 23 N 0.98 0.27 0.00 -1.35 3.57 -1.33 -2.42 116.94 116.67 1g3g h PHE 23 Ca 0.25 -0.02 -0.01 0.00 3.53 0.00 0.00 57.97 61.71 1g3g h PHE 23 Cb 0.08 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 1g3g h PHE 23 CO 0.00 0.35 -0.05 0.77 -2.23 0.00 0.00 178.31 177.15 1g3g h SER 24 N 0.12 0.00 -3.93 0.41 0.02 -1.01 -3.49 113.55 105.68 1g3g h SER 24 Ca 0.06 0.00 0.07 0.00 -0.84 0.00 0.00 61.79 61.08 1g3g h SER 24 Cb 0.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 62.69 1g3g h SER 24 CO -0.00 0.05 -0.24 1.67 -1.14 0.00 0.00 176.83 177.16 1g3g n GLN 25 N -3.25 -0.65 -1.84 3.45 7.27 -0.32 -4.85 117.38 117.19 1g3g n GLN 25 Ca -0.01 0.53 -0.42 0.00 0.07 0.00 0.00 57.00 57.17 1g3g n GLN 25 Cb 0.23 -0.76 -0.03 0.00 2.41 0.00 0.00 30.24 32.09 1g3g n GLN 25 CO 0.00 0.00 0.00 -1.21 0.07 0.00 0.00 177.06 175.92 1g3g s GLU 26 N -3.15 4.17 -0.15 3.69 2.02 -1.26 -4.89 118.70 119.13 1g3g s GLU 26 Ca 0.00 2.48 -0.07 0.00 0.02 0.00 0.00 54.97 57.40 1g3g s GLU 26 Cb 0.00 -3.10 -0.04 0.00 0.10 0.00 0.00 34.13 31.09 1g3g s GLU 26 CO 0.00 -0.65 0.11 1.14 0.02 0.00 0.00 175.26 175.88 1g3g s GLN 27 N 0.74 3.71 0.18 1.61 0.00 -1.26 -5.08 119.66 119.55 1g3g s GLN 27 Ca 0.70 -0.22 -0.26 0.00 -0.00 0.00 0.00 55.36 55.57 1g3g s GLN 27 Cb -0.46 -3.22 -0.08 0.00 0.00 0.00 0.00 33.01 29.24 1g3g s GLN 27 CO 0.35 0.54 0.82 0.42 0.00 0.00 0.00 175.29 177.42 1g3g s ILE 28 N -0.35 4.32 -0.99 3.63 -1.09 -1.26 -4.99 121.20 120.47 1g3g s ILE 28 Ca 0.11 1.79 -0.01 0.00 -2.23 0.00 0.00 60.65 60.31 1g3g s ILE 28 Cb -0.12 -4.18 0.32 0.00 -1.58 0.00 0.00 42.46 36.89 1g3g s ILE 28 CO 0.01 0.51 1.61 0.61 -1.23 0.00 0.00 174.94 176.45 1g3g n GLY 29 N 1.62 5.77 0.11 6.18 0.00 -1.26 -4.67 105.19 112.94 1g3g n GLY 29 Ca -0.05 -2.63 0.04 0.00 0.00 0.00 0.00 46.02 43.38 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 4.46 0.00 0.00 1.61 5.08 -1.94 -3.34 114.58 120.44 1g3g h GLU 30 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1g3g h GLU 30 Cb 0.44 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.69 1g3g h GLU 30 CO 1.18 0.22 -0.95 0.09 -1.00 0.00 0.00 179.01 178.55 1g3g n ASN 31 N -2.88 1.26 -4.59 1.42 5.03 -1.26 -4.41 115.26 109.83 1g3g n ASN 31 Ca -0.05 -0.46 -0.42 0.00 0.87 0.00 0.00 54.58 54.52 1g3g n ASN 31 Cb 0.73 1.22 -0.03 0.00 -1.02 0.00 0.00 39.78 40.69 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1g3g s ILE 32 N -2.39 3.63 0.04 2.41 -1.09 -1.25 -2.75 121.20 119.80 1g3g s ILE 32 Ca 0.01 0.61 -0.13 0.00 -2.23 0.00 0.00 60.65 58.91 1g3g s ILE 32 Cb 0.08 -3.92 -0.05 0.00 -1.58 0.00 0.00 42.46 36.99 1g3g s ILE 32 CO 0.48 -0.64 1.20 0.58 -1.23 0.00 0.00 174.94 175.33 1g3g h VAL 33 N 6.67 0.00 -2.70 2.92 2.07 -1.65 -3.45 116.25 120.11 1g3g h VAL 33 Ca -0.30 0.00 0.07 0.00 0.82 0.00 0.00 66.70 67.29 1g3g h VAL 33 Cb 1.14 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.81 1g3g h VAL 33 CO 1.08 0.00 0.34 0.00 0.02 0.00 0.00 177.57 179.01 1g3g s ARG 35 N -3.56 2.55 -0.23 0.00 3.52 0.12 0.89 118.95 122.25 1g3g s ARG 35 Ca 0.07 -0.68 -0.19 0.00 -0.13 0.00 0.00 55.73 54.81 1g3g s ARG 35 Cb -0.02 -2.16 -0.03 0.00 -1.56 0.00 0.00 34.95 31.18 1g3g s ARG 35 CO -0.04 -0.09 0.54 0.08 -0.81 0.00 0.00 175.30 174.97 1g3g s VAL 36 N 1.06 5.07 -0.27 7.11 1.01 -0.29 0.13 120.40 134.22 1g3g s VAL 36 Ca -0.03 0.96 0.03 0.00 0.00 0.00 0.00 61.98 62.93 1g3g s VAL 36 Cb -0.15 -3.85 0.07 0.00 0.00 0.00 0.00 36.38 32.45 1g3g s VAL 36 CO -0.04 0.12 -0.06 -0.63 0.00 0.00 0.00 175.10 174.49 1g3g s ILE 37 N 2.00 2.01 -0.67 2.22 1.01 0.50 -1.72 121.20 126.55 1g3g s ILE 37 Ca 0.23 -1.67 -0.26 0.00 0.00 0.00 0.00 60.65 58.95 1g3g s ILE 37 Cb -0.16 -2.23 0.04 0.00 0.01 0.00 0.00 42.46 40.12 1g3g s ILE 37 CO 0.09 -0.17 1.18 0.00 0.00 0.00 0.00 174.94 176.04 1g3g n THR 39 N 6.37 0.14 1.09 0.00 -2.24 -1.26 -3.84 114.28 114.54 1g3g n THR 39 Ca 0.03 -0.32 0.12 0.00 -2.27 0.00 0.00 64.05 61.61 1g3g n THR 39 Cb 0.48 0.41 0.16 0.00 -2.10 0.00 0.00 70.33 69.28 1g3g n THR 39 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 1g3g n THR 40 N 0.28 0.00 -1.06 4.28 -2.24 -1.24 -5.02 114.28 109.28 1g3g n THR 40 Ca 0.17 -0.12 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1g3g n THR 40 Cb 0.34 0.71 0.00 0.00 -2.10 0.00 0.00 70.33 69.28 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 1.42 -2.05 0.44 3.38 0.00 -1.25 -4.89 105.19 102.24 1g3g n GLY 41 Ca 0.09 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.69 1g3g n GLY 41 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g3g n GLN 42 N 0.05 0.00 -4.44 1.61 10.64 -1.26 -5.04 117.38 118.94 1g3g n GLN 42 Ca 0.00 0.00 -0.20 0.00 -1.83 0.00 0.00 57.00 54.97 1g3g n GLN 42 Cb 0.00 0.00 -0.15 0.00 -0.86 0.00 0.00 30.24 29.23 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.83 0.00 0.00 177.06 175.65 1g3g s ILE 43 N -1.59 0.84 0.39 -0.39 1.01 -1.26 -5.12 121.20 115.08 1g3g s ILE 43 Ca 0.00 -0.49 -0.23 0.00 0.00 0.00 0.00 60.65 59.93 1g3g s ILE 43 Cb 0.00 -0.71 -0.10 0.00 0.01 0.00 0.00 42.46 41.66 1g3g s ILE 43 CO 0.00 0.21 0.98 -2.16 0.00 0.00 0.00 174.94 173.97 1g3g s PRO 44 N -0.31 4.31 -0.32 2.79 0.04 -1.26 -4.08 135.00 136.17 1g3g s PRO 44 Ca 0.04 1.31 -0.43 0.00 0.04 0.00 0.00 61.00 61.95 1g3g s PRO 44 Cb -0.04 -2.48 -0.18 0.00 0.04 0.00 0.00 34.50 31.83 1g3g s PRO 44 CO -0.00 0.02 1.55 -0.89 0.04 0.00 0.00 177.00 177.72 1g3g n ILE 45 N -0.10 0.09 -5.11 0.56 5.41 -1.26 -4.82 119.36 114.13 1g3g n ILE 45 Ca 0.05 -0.02 -0.31 0.00 1.00 0.00 0.00 62.75 63.47 1g3g n ILE 45 Cb 0.51 -0.68 -0.17 0.00 -0.71 0.00 0.00 39.64 38.59 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 2.56 2.80 -0.26 0.38 6.06 -0.70 -5.03 118.95 124.76 1g3g s ARG 46 Ca 0.99 -0.80 -0.17 0.00 -2.50 0.00 0.00 55.73 53.25 1g3g s ARG 46 Cb -1.29 -2.14 -0.03 0.00 0.06 0.00 0.00 34.95 31.55 1g3g s ARG 46 CO 0.71 0.16 0.48 0.16 -2.50 0.00 0.00 175.30 174.31 1g3g s ASP 47 N 0.37 6.39 -0.24 -2.12 1.47 -1.26 -1.13 116.67 120.15 1g3g s ASP 47 Ca -0.18 0.47 -0.16 0.00 1.18 0.00 0.00 52.55 53.86 1g3g s ASP 47 Cb -0.17 -2.26 -0.04 0.00 -0.34 0.00 0.00 42.92 40.11 1g3g s ASP 47 CO 0.08 -0.26 0.42 -0.76 0.68 0.00 0.00 175.17 175.33 1g3g s LEU 48 N 2.24 4.08 0.11 2.11 1.43 0.26 -4.98 118.68 123.92 1g3g s LEU 48 Ca 0.20 0.43 0.05 0.00 -1.03 0.00 0.00 54.13 53.77 1g3g s LEU 48 Cb -0.16 -2.52 -0.04 0.00 0.03 0.00 0.00 46.19 43.51 1g3g s LEU 48 CO 0.09 -0.18 -0.12 -0.44 0.23 0.00 0.00 176.35 175.93 1g3g s SER 49 N 1.42 1.75 0.21 2.29 0.01 -1.26 -0.90 113.70 117.22 1g3g s SER 49 Ca 0.18 -0.80 0.02 0.00 1.31 0.00 0.00 55.95 56.67 1g3g s SER 49 Cb -0.15 -0.04 -0.05 0.00 0.21 0.00 0.00 66.02 65.99 1g3g s SER 49 CO 0.09 -0.19 0.02 0.00 0.41 0.00 0.00 173.24 173.57 1g3g s ALA 50 N -2.19 1.62 -0.71 1.44 0.00 -1.11 -4.75 121.76 116.06 1g3g s ALA 50 Ca 0.07 -1.72 -0.20 0.00 0.00 0.00 0.00 51.96 50.10 1g3g s ALA 50 Cb -0.04 0.63 0.10 0.00 0.00 0.00 0.00 23.12 23.80 1g3g s ALA 50 CO 0.02 -0.32 0.91 -0.51 0.00 0.00 0.00 175.76 175.86 1g3g s ASP 51 N -3.26 6.31 0.42 0.00 1.01 -1.26 -4.53 116.67 115.36 1g3g s ASP 51 Ca 0.29 -1.45 0.12 0.00 0.71 0.00 0.00 52.55 52.21 1g3g s ASP 51 Cb 0.06 -2.37 0.89 0.00 1.01 0.00 0.00 42.92 42.52 1g3g s ASP 51 CO 0.08 -1.21 1.96 0.40 0.21 0.00 0.00 175.17 176.60 1g3g h ILE 52 N 5.88 1.15 -0.68 0.77 2.04 -1.94 -2.68 117.51 122.04 1g3g h ILE 52 Ca -0.17 -0.68 0.09 0.00 1.00 0.00 0.00 64.86 65.10 1g3g h ILE 52 Cb 1.06 1.24 -0.04 0.00 -0.74 0.00 0.00 36.82 38.34 1g3g h ILE 52 CO 1.12 0.21 0.45 -1.28 0.00 0.00 0.00 178.15 178.65 1g3g h SER 53 N 0.13 0.51 -0.22 1.72 0.87 -1.98 -0.73 113.55 113.85 1g3g h SER 53 Ca 0.03 0.01 -0.12 0.00 -1.23 0.00 0.00 61.79 60.48 1g3g h SER 53 Cb 0.33 -0.10 -0.01 0.00 -0.44 0.00 0.00 62.40 62.18 1g3g h SER 53 CO 0.02 0.31 -0.27 1.56 -0.53 0.00 0.00 176.83 177.92 1g3g h GLN 54 N 0.56 0.71 -0.28 2.24 4.20 -1.86 -1.25 115.11 119.43 1g3g h GLN 54 Ca 0.31 -0.30 -0.06 0.00 0.06 0.00 0.00 58.65 58.66 1g3g h GLN 54 Cb 0.47 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.22 1g3g h GLN 54 CO -0.10 0.90 -0.06 0.28 -0.67 0.00 0.00 178.83 179.17 1g3g h VAL 55 N 0.61 1.28 0.00 -0.54 2.07 -1.24 0.38 116.25 118.81 1g3g h VAL 55 Ca 0.08 -1.08 -0.09 0.00 0.82 0.00 0.00 66.70 66.43 1g3g h VAL 55 Cb 0.77 1.42 -0.01 0.00 -1.52 0.00 0.00 31.29 31.95 1g3g h VAL 55 CO 0.06 0.34 -0.41 -0.07 0.02 0.00 0.00 177.57 177.52 1g3g h LEU 56 N 0.29 0.00 0.00 2.57 -0.00 -1.30 -3.25 115.31 113.62 1g3g h LEU 56 Ca 0.07 0.00 -0.04 0.00 -0.00 0.00 0.00 57.88 57.91 1g3g h LEU 56 Cb 0.54 0.00 -0.01 0.00 -0.00 0.00 0.00 40.66 41.19 1g3g h LEU 56 CO 0.03 0.41 -0.23 0.50 -0.00 0.00 0.00 178.44 179.15 1g3g h LYS 57 N 0.00 0.00 -5.91 1.13 1.63 -1.06 -3.46 116.57 108.89 1g3g h LYS 57 Ca -0.00 0.00 -0.67 0.00 -0.85 0.00 0.00 60.65 59.13 1g3g h LYS 57 Cb 0.77 0.00 -0.12 0.00 -0.60 0.00 0.00 32.23 32.29 1g3g h LYS 57 CO 0.05 0.90 -0.58 -1.21 -3.45 0.00 0.00 179.45 175.17 1g3g s GLU 58 N -2.19 3.10 0.50 1.90 8.01 0.13 -5.00 118.70 125.16 1g3g s GLU 58 Ca -0.19 -0.38 0.16 0.00 0.01 0.00 0.00 54.97 54.57 1g3g s GLU 58 Cb -0.01 -2.90 1.21 0.00 -4.31 0.00 0.00 34.13 28.12 1g3g s GLU 58 CO 0.61 0.70 2.10 -0.22 0.01 0.00 0.00 175.26 178.46 1g3g h LYS 59 N 4.76 0.12 -1.06 1.61 3.64 -1.84 -3.40 116.57 120.40 1g3g h LYS 59 Ca -0.51 -0.01 0.06 0.00 -1.27 0.00 0.00 60.65 58.92 1g3g h LYS 59 Cb 1.20 -0.03 -0.22 0.00 -0.41 0.00 0.00 32.23 32.77 1g3g h LYS 59 CO 0.58 0.08 -0.31 0.50 -2.27 0.00 0.00 179.45 178.02 1g3g s ARG 60 N -5.15 0.55 -0.38 1.90 3.52 -1.26 -5.04 118.95 113.09 1g3g s ARG 60 Ca -0.06 0.87 0.12 0.00 -0.13 0.00 0.00 55.73 56.53 1g3g s ARG 60 Cb 0.18 0.42 0.40 0.00 -1.56 0.00 0.00 34.95 34.39 1g3g s ARG 60 CO 0.69 -0.72 1.18 0.45 -0.81 0.00 0.00 175.30 176.09 1g3g n SER 61 N 5.42 -0.75 -4.63 -2.12 2.88 -1.26 -5.11 113.62 108.04 1g3g n SER 61 Ca 0.00 -2.67 -0.35 0.00 -1.33 0.00 0.00 58.87 54.52 1g3g n SER 61 Cb 0.52 0.53 -0.10 0.00 -0.75 0.00 0.00 64.21 64.40 1g3g n SER 61 CO 0.00 0.00 0.00 -0.63 -1.23 0.00 0.00 175.04 173.18 1g3g s ILE 62 N -0.97 4.43 -0.41 2.46 -1.09 -1.26 -4.81 121.20 119.55 1g3g s ILE 62 Ca 0.24 -0.18 0.02 0.00 -2.23 0.00 0.00 60.65 58.51 1g3g s ILE 62 Cb 0.41 -2.93 0.27 0.00 -1.58 0.00 0.00 42.46 38.63 1g3g s ILE 62 CO -0.05 0.53 1.10 1.17 -1.23 0.00 0.00 174.94 176.47 1g3g n LYS 63 N 2.92 0.47 -3.93 2.79 0.00 -1.25 -4.79 118.16 114.37 1g3g n LYS 63 Ca -0.18 -1.22 -0.16 0.00 0.00 0.00 0.00 58.31 56.75 1g3g n LYS 63 Cb 0.53 -0.79 -0.16 0.00 0.00 0.00 0.00 35.03 34.61 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1g3g s LYS 64 N 0.36 0.26 -0.01 1.64 2.20 -1.18 -5.05 119.74 117.96 1g3g s LYS 64 Ca 0.28 0.05 0.02 0.00 -0.36 0.00 0.00 55.97 55.95 1g3g s LYS 64 Cb 0.23 -0.40 -0.00 0.00 -1.51 0.00 0.00 37.83 36.15 1g3g s LYS 64 CO -0.16 -0.10 -0.06 0.08 -0.36 0.00 0.00 175.35 174.76 1g3g s VAL 65 N 0.78 0.47 -0.12 4.02 1.01 -1.26 -0.20 120.40 125.10 1g3g s VAL 65 Ca -0.08 -0.24 -0.07 0.00 0.00 0.00 0.00 61.98 61.60 1g3g s VAL 65 Cb -0.11 -0.41 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1g3g s VAL 65 CO -0.01 0.14 0.14 0.26 0.00 0.00 0.00 175.10 175.63 1g3g s TRP 66 N -0.02 3.60 -0.05 5.22 0.51 0.53 -4.88 118.94 123.85 1g3g s TRP 66 Ca 0.01 0.54 0.02 0.00 -2.12 0.00 0.00 56.10 54.54 1g3g s TRP 66 Cb -0.04 -1.95 0.01 0.00 -0.81 0.00 0.00 33.47 30.69 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 -1.02 0.86 -0.28 2.01 2.01 -1.26 0.22 115.64 118.18 1g3g s THR 67 Ca 0.15 -0.34 -0.09 0.00 0.31 0.00 0.00 61.69 61.71 1g3g s THR 67 Cb -0.12 -0.80 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1g3g s THR 67 CO 0.04 0.28 0.14 -0.36 -0.69 0.00 0.00 174.62 174.03 1g3g s PHE 68 N 0.57 3.16 -5.00 4.92 0.40 0.34 0.28 117.98 122.64 1g3g s PHE 68 Ca -0.10 -0.23 0.00 0.00 -0.60 0.00 0.00 56.93 56.00 1g3g s PHE 68 Cb -0.13 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.08 1g3g s PHE 68 CO 0.02 -0.30 0.00 0.41 0.70 0.00 0.00 175.22 176.05 1g3g n GLY 69 N 4.99 -0.40 3.56 4.36 0.00 -1.22 0.24 105.19 116.72 1g3g n GLY 69 Ca -0.15 -1.03 -0.37 0.00 0.00 0.00 0.00 46.02 44.47 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 -2.00 3.18 0.04 1.61 1.70 -1.24 -3.51 118.95 118.73 1g3g s ARG 70 Ca 0.00 -0.67 -0.14 0.00 -0.47 0.00 0.00 55.73 54.45 1g3g s ARG 70 Cb 0.00 -5.08 0.02 0.00 -0.57 0.00 0.00 34.95 29.32 1g3g s ARG 70 CO 0.00 -2.58 0.31 -0.80 -1.08 0.00 0.00 175.30 171.15 1g3g s ASN 71 N 5.93 -0.13 0.00 -2.89 0.01 -1.26 -4.71 114.94 111.88 1g3g s ASN 71 Ca 0.53 -0.17 0.00 0.00 -0.71 0.00 0.00 52.86 52.51 1g3g s ASN 71 Cb -0.04 0.36 0.00 0.00 0.41 0.00 0.00 41.25 41.98 1g3g s ASN 71 CO -0.03 -0.60 0.84 -2.65 -1.51 0.00 0.00 177.10 173.15 1g3g n PRO 72 N 0.63 0.00 0.00 -0.60 -0.02 -1.26 -3.97 135.00 129.77 1g3g n PRO 72 Ca -0.19 0.35 0.00 0.00 -2.02 0.00 0.00 63.50 61.65 1g3g n PRO 72 Cb 0.59 -1.56 0.00 0.00 -0.02 0.00 0.00 33.50 32.51 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g3g n ALA 73 N -1.34 0.00 0.01 3.55 0.00 -1.26 -4.38 120.51 117.08 1g3g n ALA 73 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g3g n ALA 73 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 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 -2.51 1.94 -3.85 0.00 -0.08 0.78 -4.50 116.55 108.34 1g3g n ASP 75 Ca -0.00 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1g3g n ASP 75 Cb 0.02 -0.83 -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 -0.08 -0.43 -0.67 5.04 -1.16 -4.92 117.35 112.66 1g3g s TYR 76 Ca -0.33 0.19 -0.21 0.00 -2.44 0.00 0.00 57.07 54.28 1g3g s TYR 76 Cb 0.10 0.02 0.02 0.00 0.35 0.00 0.00 41.96 42.45 1g3g s TYR 76 CO 0.57 -0.10 0.64 -1.58 -1.34 0.00 0.00 175.55 173.74 1g3g s HIS 77 N -0.25 3.07 0.37 4.97 5.65 -1.26 -3.97 115.29 123.87 1g3g s HIS 77 Ca -0.03 -0.04 0.03 0.00 0.25 0.00 0.00 55.06 55.27 1g3g s HIS 77 Cb -0.02 -3.34 -0.04 0.00 -1.18 0.00 0.00 32.58 28.00 1g3g s HIS 77 CO 0.00 -0.86 0.10 -0.48 -0.65 0.00 0.00 174.74 172.85 1g3g s LEU 78 N 2.82 2.03 1.32 8.88 0.05 -1.23 -4.91 118.68 127.64 1g3g s LEU 78 Ca 0.23 -1.55 -0.19 0.00 0.05 0.00 0.00 54.13 52.67 1g3g s LEU 78 Cb -0.14 -0.20 0.32 0.00 -2.05 0.00 0.00 46.19 44.12 1g3g s LEU 78 CO 0.19 -0.80 0.82 0.61 -0.55 0.00 0.00 176.35 176.62 1g3g n GLY 79 N -0.80 -3.06 3.13 -3.48 0.00 -1.26 -4.48 105.19 95.24 1g3g n GLY 79 Ca -0.04 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.21 1g3g n GLY 79 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g3g s ASN 80 N -2.64 5.33 -0.23 1.61 4.22 -1.26 -4.20 114.94 117.77 1g3g s ASN 80 Ca 0.65 -2.08 -0.03 0.00 -2.14 0.00 0.00 52.86 49.27 1g3g s ASN 80 Cb -0.17 -1.86 0.01 0.00 1.28 0.00 0.00 41.25 40.51 1g3g s ASN 80 CO 0.59 -0.56 -0.07 -0.63 -2.04 0.00 0.00 177.10 174.40 1g3g s ILE 81 N 1.08 3.06 0.61 0.54 -1.09 -1.26 -4.95 121.20 119.19 1g3g s ILE 81 Ca 0.09 -0.72 0.29 0.00 -2.23 0.00 0.00 60.65 58.08 1g3g s ILE 81 Cb -0.23 -2.43 0.35 0.00 -1.58 0.00 0.00 42.46 38.57 1g3g s ILE 81 CO -0.04 0.36 1.94 -1.28 -1.23 0.00 0.00 174.94 174.70 1g3g h SER 82 N 8.06 0.00 0.00 3.58 0.87 -1.98 -3.00 113.55 121.08 1g3g h SER 82 Ca -0.39 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.17 1g3g h SER 82 Cb 1.14 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.10 1g3g h SER 82 CO 0.60 0.00 0.00 0.54 -0.53 0.00 0.00 176.83 177.44 1g3g n ARG 83 N -3.47 0.00 -3.75 2.24 3.00 -1.26 -4.92 116.66 108.49 1g3g n ARG 83 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.50 1g3g n ARG 83 Cb 0.52 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.85 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 4.31 0.00 0.55 2.01 -1.26 -4.47 118.68 119.81 1g3g s LEU 84 Ca 0.00 -1.12 0.00 0.00 0.01 0.00 0.00 54.13 53.02 1g3g s LEU 84 Cb 0.00 -1.87 0.00 0.00 0.01 0.00 0.00 46.19 44.33 1g3g s LEU 84 CO 0.00 -0.32 0.00 -1.20 1.01 0.00 0.00 176.35 175.84 1g3g n SER 85 N 4.82 0.00 -3.79 2.29 7.64 -1.26 -4.88 113.62 118.44 1g3g n SER 85 Ca -0.13 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.75 1g3g n SER 85 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1g3g n SER 85 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g3g n ASN 86 N 0.00 0.00 -3.75 6.43 3.02 -1.13 -3.66 115.26 116.17 1g3g n ASN 86 Ca 0.00 0.00 -0.29 0.00 -0.03 0.00 0.00 54.58 54.26 1g3g n ASN 86 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 1g3g n ASN 86 CO 0.00 0.00 0.00 2.29 -2.62 0.00 0.00 177.26 176.93 1g3g n LYS 87 N 0.00 0.01 0.16 3.52 0.00 -1.25 -3.39 118.16 117.20 1g3g n LYS 87 Ca 0.00 -0.77 0.12 0.00 -0.00 0.00 0.00 58.31 57.67 1g3g n LYS 87 Cb 0.00 -2.19 0.26 0.00 -0.00 0.00 0.00 35.03 33.11 1g3g n LYS 87 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.40 178.65 1g3g h HIS 88 N 9.34 0.00 -1.44 5.58 2.76 -0.22 -3.39 115.15 127.78 1g3g h HIS 88 Ca 0.16 0.00 0.22 0.00 -2.20 0.00 0.00 60.37 58.55 1g3g h HIS 88 Cb 0.69 0.00 -0.21 0.00 1.55 0.00 0.00 27.41 29.44 1g3g h HIS 88 CO 1.02 0.00 0.78 0.12 -1.30 0.00 0.00 177.93 178.56 1g3g s PHE 89 N -3.17 -0.16 0.09 5.26 5.36 0.19 -2.66 117.98 122.89 1g3g s PHE 89 Ca 0.08 0.17 0.00 0.00 -0.96 0.00 0.00 56.93 56.22 1g3g s PHE 89 Cb 0.09 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.23 1g3g s PHE 89 CO 0.65 -0.21 -0.03 -0.65 -1.46 0.00 0.00 175.22 173.52 1g3g s GLN 90 N -1.95 0.77 -0.09 10.12 -0.21 0.25 0.13 119.66 128.68 1g3g s GLN 90 Ca 0.07 -1.31 0.02 0.00 0.02 0.00 0.00 55.36 54.15 1g3g s GLN 90 Cb -0.01 0.03 0.02 0.00 1.00 0.00 0.00 33.01 34.05 1g3g s GLN 90 CO -0.05 -0.10 -0.12 0.42 -2.12 0.00 0.00 175.29 173.32 1g3g s ILE 91 N -3.81 1.22 -0.04 1.08 1.01 0.59 0.14 121.20 121.39 1g3g s ILE 91 Ca 0.12 -0.49 -0.00 0.00 0.00 0.00 0.00 60.65 60.28 1g3g s ILE 91 Cb 0.07 -1.14 -0.03 0.00 0.01 0.00 0.00 42.46 41.36 1g3g s ILE 91 CO -0.06 0.38 0.00 -0.22 0.00 0.00 0.00 174.94 175.05 1g3g s LEU 92 N 0.97 3.54 -0.11 2.97 2.96 0.30 0.20 118.68 129.52 1g3g s LEU 92 Ca -0.08 0.07 0.02 0.00 -0.22 0.00 0.00 54.13 53.91 1g3g s LEU 92 Cb -0.15 -1.92 0.02 0.00 0.50 0.00 0.00 46.19 44.63 1g3g s LEU 92 CO -0.00 0.33 -0.14 -0.76 -1.32 0.00 0.00 176.35 174.45 1g3g s LEU 93 N -1.23 1.68 0.00 -0.68 2.01 0.72 0.18 118.68 121.36 1g3g s LEU 93 Ca 0.17 -0.41 0.00 0.00 0.01 0.00 0.00 54.13 53.89 1g3g s LEU 93 Cb -0.11 -1.05 0.00 0.00 0.01 0.00 0.00 46.19 45.03 1g3g s LEU 93 CO 0.06 0.01 0.00 0.61 1.01 0.00 0.00 176.35 178.04 1g3g n GLY 94 N 4.22 1.12 2.70 -3.19 0.00 -1.21 -3.10 105.19 105.74 1g3g n GLY 94 Ca -0.19 -0.11 -0.01 0.00 0.00 0.00 0.00 46.02 45.72 1g3g n GLY 94 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1g3g s GLU 95 N 0.00 0.14 -1.32 1.61 -6.30 -1.26 -4.98 118.70 106.60 1g3g s GLU 95 Ca 0.00 -0.10 -0.06 0.00 -2.50 0.00 0.00 54.97 52.31 1g3g s GLU 95 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 34.13 34.15 1g3g s GLU 95 CO 0.00 -0.19 1.05 -0.25 0.02 0.00 0.00 175.26 175.89 1g3g n ASP 96 N 3.10 -4.20 -3.26 -1.70 8.00 -1.26 -3.11 116.55 114.12 1g3g n ASP 96 Ca 0.08 -0.62 -0.15 0.00 0.71 0.00 0.00 54.79 54.81 1g3g n ASP 96 Cb 0.65 -4.85 0.07 0.00 -0.02 0.00 0.00 41.12 36.97 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1g3g n GLY 97 N -1.63 -1.13 3.60 0.44 0.00 -1.26 -5.03 105.19 100.18 1g3g n GLY 97 Ca -0.12 0.57 -0.13 0.00 0.00 0.00 0.00 46.02 46.34 1g3g n GLY 97 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1g3g s ASN 98 N -3.44 0.61 0.13 1.61 0.01 -1.18 -5.10 114.94 107.58 1g3g s ASN 98 Ca 0.44 -1.37 0.07 0.00 -0.71 0.00 0.00 52.86 51.29 1g3g s ASN 98 Cb -0.06 0.73 -0.04 0.00 0.41 0.00 0.00 41.25 42.29 1g3g s ASN 98 CO 0.74 -1.43 -0.06 -0.76 -1.51 0.00 0.00 177.10 174.08 1g3g s LEU 99 N -3.18 3.15 0.05 0.60 1.02 -1.26 -3.30 118.68 115.76 1g3g s LEU 99 Ca 0.25 -0.39 0.04 0.00 0.02 0.00 0.00 54.13 54.05 1g3g s LEU 99 Cb -0.02 -1.89 -0.02 0.00 0.02 0.00 0.00 46.19 44.28 1g3g s LEU 99 CO 0.17 0.15 -0.12 -0.76 0.02 0.00 0.00 176.35 175.81 1g3g s LEU 100 N -2.48 2.22 -0.15 1.79 1.02 0.48 -1.49 118.68 120.07 1g3g s LEU 100 Ca 0.24 -0.51 0.00 0.00 0.02 0.00 0.00 54.13 53.88 1g3g s LEU 100 Cb -0.10 -0.42 -0.00 0.00 0.02 0.00 0.00 46.19 45.68 1g3g s LEU 100 CO 0.16 -0.07 -0.15 -0.76 0.02 0.00 0.00 176.35 175.55 1g3g s LEU 101 N -1.39 2.51 -0.31 1.79 1.43 0.14 0.11 118.68 122.96 1g3g s LEU 101 Ca -0.03 -0.45 -0.05 0.00 -1.03 0.00 0.00 54.13 52.58 1g3g s LEU 101 Cb -0.09 -1.57 0.04 0.00 0.03 0.00 0.00 46.19 44.60 1g3g s LEU 101 CO 0.01 0.10 0.05 0.21 0.23 0.00 0.00 176.35 176.95 1g3g s ASN 102 N 0.73 5.03 -0.43 2.29 2.47 0.37 0.21 114.94 125.60 1g3g s ASN 102 Ca -0.07 -1.07 -0.27 0.00 0.42 0.00 0.00 52.86 51.88 1g3g s ASN 102 Cb -0.15 -1.80 0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1g3g s ASN 102 CO 0.01 -0.26 0.98 -1.81 -3.72 0.00 0.00 177.10 172.31 1g3g s ASP 103 N 1.37 6.60 -0.26 -4.21 1.01 -1.23 0.85 116.67 120.79 1g3g s ASP 103 Ca -0.02 0.37 0.02 0.00 0.71 0.00 0.00 52.55 53.63 1g3g s ASP 103 Cb -0.19 -2.48 0.07 0.00 1.01 0.00 0.00 42.92 41.33 1g3g s ASP 103 CO 0.01 -1.04 -0.05 -0.51 0.21 0.00 0.00 175.17 173.79 1g3g s ILE 104 N 3.84 1.81 0.30 0.77 2.07 -1.24 0.13 121.20 128.89 1g3g s ILE 104 Ca 0.40 -1.53 0.02 0.00 -1.41 0.00 0.00 60.65 58.13 1g3g s ILE 104 Cb -0.10 -2.08 -0.05 0.00 0.13 0.00 0.00 42.46 40.36 1g3g s ILE 104 CO 0.25 -0.18 0.09 -0.44 -1.91 0.00 0.00 174.94 172.75 1g3g s SER 105 N 1.24 1.74 -0.01 4.50 0.01 -1.09 0.56 113.70 120.65 1g3g s SER 105 Ca -0.04 -1.42 -0.13 0.00 1.31 0.00 0.00 55.95 55.67 1g3g s SER 105 Cb -0.19 0.14 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1g3g s SER 105 CO -0.07 -0.72 0.72 0.74 0.41 0.00 0.00 173.24 174.32 1g3g h THR 106 N 2.23 0.00 0.00 1.44 2.02 -1.86 -3.43 112.91 113.31 1g3g h THR 106 Ca -0.38 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 1g3g h THR 106 Cb 1.25 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1g3g h THR 106 CO 0.62 0.00 -1.53 -0.46 0.37 0.00 0.00 175.52 174.52 1g3g n ASN 107 N -4.16 3.16 -3.72 4.18 0.23 -1.26 -5.05 115.26 108.64 1g3g n ASN 107 Ca -0.06 -0.01 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.19 0.46 -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 -4.21 -0.11 -0.03 4.83 0.00 -1.26 -5.03 107.32 101.50 1g3g s GLY 108 Ca -0.06 0.93 0.07 0.00 0.00 0.00 0.00 44.72 45.66 1g3g s GLY 108 CO 0.29 1.34 -0.24 -1.59 0.00 0.00 0.00 173.10 172.90 1g3g s THR 109 N 1.46 1.94 0.12 0.90 2.01 -1.26 -4.08 115.64 116.72 1g3g s THR 109 Ca -0.07 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.00 1g3g s THR 109 Cb -0.11 -1.62 -0.04 0.00 0.01 0.00 0.00 72.50 70.74 1g3g s THR 109 CO -0.08 0.55 -0.25 0.26 -0.69 0.00 0.00 174.62 174.40 1g3g s TRP 110 N -0.41 2.35 -0.24 4.92 0.51 0.49 -0.79 118.94 125.77 1g3g s TRP 110 Ca 0.05 -0.36 0.02 0.00 -2.12 0.00 0.00 56.10 53.69 1g3g s TRP 110 Cb -0.11 -1.29 0.05 0.00 -0.81 0.00 0.00 33.47 31.32 1g3g s TRP 110 CO 0.01 0.32 -0.12 -1.17 -0.51 0.00 0.00 176.95 175.48 1g3g s LEU 111 N -1.96 3.05 -1.65 2.99 2.96 -0.49 0.13 118.68 123.70 1g3g s LEU 111 Ca 0.14 -1.21 -0.13 0.00 -0.22 0.00 0.00 54.13 52.71 1g3g s LEU 111 Cb -0.10 -1.48 0.12 0.00 0.50 0.00 0.00 46.19 45.23 1g3g s LEU 111 CO 0.06 -0.16 0.59 0.59 -1.32 0.00 0.00 176.35 176.12 1g3g n ASN 112 N 4.51 -1.98 0.00 3.68 3.02 0.86 -0.02 115.26 125.33 1g3g n ASN 112 Ca -0.15 -1.08 0.00 0.00 -0.03 0.00 0.00 54.58 53.32 1g3g n ASN 112 Cb 0.44 -2.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.10 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 -1.61 0.39 2.64 7.41 0.00 -1.26 -5.02 105.19 107.74 1g3g n GLY 113 Ca -0.04 -1.01 -0.29 0.00 0.00 0.00 0.00 46.02 44.67 1g3g n GLY 113 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1g3g s GLN 114 N -2.63 0.51 -0.23 1.61 -0.21 0.98 -5.10 119.66 114.58 1g3g s GLN 114 Ca 0.00 -0.90 -0.42 0.00 0.02 0.00 0.00 55.36 54.06 1g3g s GLN 114 Cb 0.00 -1.62 -0.18 0.00 1.00 0.00 0.00 33.01 32.21 1g3g s GLN 114 CO 0.00 -1.02 1.50 1.17 -2.12 0.00 0.00 175.29 174.82 1g3g n LYS 115 N 4.92 0.57 -4.28 2.91 3.00 -1.26 -1.40 118.16 122.62 1g3g n LYS 115 Ca -0.02 0.21 -0.30 0.00 -0.00 0.00 0.00 58.31 58.20 1g3g n LYS 115 Cb 0.41 -1.79 -0.03 0.00 0.00 0.00 0.00 35.03 33.62 1g3g n LYS 115 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.40 178.73 1g3g n VAL 116 N 3.47 0.00 -3.16 3.15 0.24 0.03 -4.85 118.33 117.20 1g3g n VAL 116 Ca 0.25 -2.31 -0.39 0.00 -2.04 0.00 0.00 64.34 59.85 1g3g n VAL 116 Cb 0.07 0.23 -0.06 0.00 -1.47 0.00 0.00 33.84 32.61 1g3g n VAL 116 CO 0.00 0.00 0.00 -0.70 -2.14 0.00 0.00 176.83 173.99 1g3g s GLU 117 N -4.06 4.34 0.94 7.34 2.12 -1.26 -4.45 118.70 123.66 1g3g s GLU 117 Ca 0.16 0.89 -0.11 0.00 0.36 0.00 0.00 54.97 56.27 1g3g s GLU 117 Cb -0.01 -3.24 0.16 0.00 0.26 0.00 0.00 34.13 31.30 1g3g s GLU 117 CO 0.10 0.61 1.10 0.21 -0.54 0.00 0.00 175.26 176.74 1g3g s LYS 118 N -1.15 0.86 -1.25 4.30 2.20 -1.26 -2.99 119.74 120.46 1g3g s LYS 118 Ca 0.32 1.23 -0.16 0.00 -0.36 0.00 0.00 55.97 57.00 1g3g s LYS 118 Cb -0.21 -1.73 0.16 0.00 -1.51 0.00 0.00 37.83 34.54 1g3g s LYS 118 CO 0.22 -2.63 0.40 0.27 -0.36 0.00 0.00 175.35 173.24 1g3g n ASN 119 N -4.20 -1.29 -4.23 1.43 0.23 0.35 -4.85 115.26 102.70 1g3g n ASN 119 Ca 0.09 -0.78 -0.37 0.00 -0.53 0.00 0.00 54.58 52.99 1g3g n ASN 119 Cb 0.53 -1.14 -0.12 0.00 -2.08 0.00 0.00 39.78 36.97 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -0.93 0.00 0.00 177.26 175.39 1g3g s SER 120 N -2.54 5.22 0.46 0.53 1.04 -1.16 -4.91 113.70 112.35 1g3g s SER 120 Ca 0.55 -1.28 -0.23 0.00 0.48 0.00 0.00 55.95 55.47 1g3g s SER 120 Cb -0.32 -1.83 -0.09 0.00 0.10 0.00 0.00 66.02 63.88 1g3g s SER 120 CO 0.68 -0.34 1.11 0.59 0.98 0.00 0.00 173.24 176.25 1g3g n ASN 121 N 4.75 1.66 -4.18 7.02 5.03 -1.26 -3.57 115.26 124.71 1g3g n ASN 121 Ca -0.12 1.01 -0.19 0.00 0.87 0.00 0.00 54.58 56.15 1g3g n ASN 121 Cb 0.44 -1.42 -0.12 0.00 -1.02 0.00 0.00 39.78 37.66 1g3g n ASN 121 CO 0.00 0.00 0.00 -1.10 -1.83 0.00 0.00 177.26 174.33 1g3g s GLN 122 N -2.27 0.87 -0.18 3.52 -1.52 0.55 -4.84 119.66 115.79 1g3g s GLN 122 Ca 0.65 -0.95 -0.29 0.00 -1.95 0.00 0.00 55.36 52.82 1g3g s GLN 122 Cb -0.50 -0.92 -0.01 0.00 -0.22 0.00 0.00 33.01 31.36 1g3g s GLN 122 CO 0.55 0.21 1.16 -1.17 -0.25 0.00 0.00 175.29 175.79 1g3g s LEU 123 N -1.68 4.16 0.31 2.90 0.20 -1.26 0.26 118.68 123.58 1g3g s LEU 123 Ca -0.00 1.57 -0.26 0.00 0.69 0.00 0.00 54.13 56.13 1g3g s LEU 123 Cb -0.10 -3.54 -0.14 0.00 -0.43 0.00 0.00 46.19 41.98 1g3g s LEU 123 CO 0.02 -0.71 0.73 -0.11 -0.29 0.00 0.00 176.35 176.00 1g3g n LEU 124 N 6.36 0.46 -4.27 -0.68 7.94 -0.56 -4.85 117.00 121.40 1g3g n LEU 124 Ca 0.13 1.07 -0.21 0.00 -1.11 0.00 0.00 56.01 55.90 1g3g n LEU 124 Cb 0.45 -1.15 -0.12 0.00 0.53 0.00 0.00 43.42 43.14 1g3g n LEU 124 CO 0.54 -2.29 -0.48 -0.44 -1.11 0.00 0.00 177.39 173.62 1g3g s SER 125 N -0.80 2.27 -0.28 1.96 0.01 -1.26 -5.01 113.70 110.59 1g3g s SER 125 Ca 0.61 -0.76 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1g3g s SER 125 Cb -0.72 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.39 1g3g s SER 125 CO 0.58 -0.05 1.53 -1.58 0.41 0.00 0.00 173.24 174.13 1g3g s GLN 126 N -2.36 3.74 -1.31 12.44 2.00 -1.26 -2.65 119.66 130.26 1g3g s GLN 126 Ca 0.08 1.43 -0.01 0.00 -2.00 0.00 0.00 55.36 54.86 1g3g s GLN 126 Cb -0.07 -4.01 0.00 0.00 0.80 0.00 0.00 33.01 29.73 1g3g s GLN 126 CO 0.04 -1.35 0.14 0.41 -0.50 0.00 0.00 175.29 174.03 1g3g n GLY 127 N 4.72 -0.27 3.50 2.59 0.00 -1.19 -4.96 105.19 109.57 1g3g n GLY 127 Ca 0.18 -0.18 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 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 -1.18 -1.30 -3.76 1.61 -0.08 -1.08 -4.57 116.55 106.18 1g3g n ASP 128 Ca -0.16 0.35 -0.13 0.00 -1.51 0.00 0.00 54.79 53.35 1g3g n ASP 128 Cb 0.63 -1.29 -0.12 0.00 2.34 0.00 0.00 41.12 42.67 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1g3g s GLU 129 N -3.96 0.24 -0.15 -0.67 2.12 -1.26 0.41 118.70 115.43 1g3g s GLU 129 Ca 0.60 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.34 1g3g s GLU 129 Cb -0.22 0.01 -0.02 0.00 0.26 0.00 0.00 34.13 34.17 1g3g s GLU 129 CO 0.64 -0.09 -0.10 0.42 -0.54 0.00 0.00 175.26 175.59 1g3g s ILE 130 N 0.65 3.24 -0.02 -3.70 1.09 0.38 -0.10 121.20 122.74 1g3g s ILE 130 Ca -0.04 -0.59 -0.02 0.00 -1.10 0.00 0.00 60.65 58.90 1g3g s ILE 130 Cb -0.06 -2.39 -0.04 0.00 -1.06 0.00 0.00 42.46 38.92 1g3g s ILE 130 CO -0.04 0.51 0.10 -0.89 -0.10 0.00 0.00 174.94 174.52 1g3g s THR 131 N 0.52 4.93 0.05 2.92 2.01 0.35 0.16 115.64 126.58 1g3g s THR 131 Ca -0.07 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1g3g s THR 131 Cb -0.15 -3.25 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1g3g s THR 131 CO 0.04 0.38 0.01 0.68 -0.69 0.00 0.00 174.62 175.04 1g3g s VAL 132 N -1.19 0.19 -0.85 3.82 -7.23 0.49 0.18 120.40 115.81 1g3g s VAL 132 Ca 0.23 -1.53 -0.04 0.00 -1.81 0.00 0.00 61.98 58.82 1g3g s VAL 132 Cb -0.12 -1.27 0.00 0.00 0.56 0.00 0.00 36.38 35.56 1g3g s VAL 132 CO 0.13 -0.85 0.74 0.61 -0.31 0.00 0.00 175.10 175.42 1g3g n GLY 133 N 0.35 -0.04 3.82 2.32 0.00 -1.26 0.28 105.19 110.66 1g3g n GLY 133 Ca -0.16 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.45 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 -3.21 4.10 0.00 1.61 1.01 -1.26 -3.70 120.40 118.94 1g3g s VAL 134 Ca 0.27 1.08 0.00 0.00 0.00 0.00 0.00 61.98 63.34 1g3g s VAL 134 Cb -0.12 -3.53 0.00 0.00 0.00 0.00 0.00 36.38 32.73 1g3g s VAL 134 CO 0.47 -0.50 0.00 0.61 0.00 0.00 0.00 175.10 175.68 1g3g n GLY 135 N -1.01 3.45 3.08 4.51 0.00 -1.26 -5.02 105.19 108.94 1g3g n GLY 135 Ca 0.08 -0.49 -0.26 0.00 0.00 0.00 0.00 46.02 45.35 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 1.36 0.43 1.61 1.01 -1.26 -5.02 120.40 118.53 1g3g s VAL 136 Ca 0.00 -0.63 0.19 0.00 0.00 0.00 0.00 61.98 61.55 1g3g s VAL 136 Cb 0.00 -1.21 0.40 0.00 0.00 0.00 0.00 36.38 35.57 1g3g s VAL 136 CO 0.00 0.40 1.84 -0.08 0.00 0.00 0.00 175.10 177.26 1g3g h GLU 137 N 6.74 0.35 -0.34 2.72 4.22 -1.99 0.42 114.58 126.69 1g3g h GLU 137 Ca -0.29 -0.02 0.00 0.00 0.08 0.00 0.00 59.36 59.13 1g3g h GLU 137 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.37 1g3g h GLU 137 CO 0.47 0.23 0.00 0.43 -2.18 0.00 0.00 179.01 177.96 1g3g n SER 138 N -4.50 2.57 -0.64 1.04 7.64 -1.26 -4.14 113.62 114.34 1g3g n SER 138 Ca 0.20 -1.89 0.06 0.00 1.01 0.00 0.00 58.87 58.25 1g3g n SER 138 Cb 0.77 -0.22 0.14 0.00 -1.01 0.00 0.00 64.21 63.88 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g3g n ASP 139 N 0.91 1.57 -4.73 6.43 2.03 0.14 -5.04 116.55 117.87 1g3g n ASP 139 Ca 0.17 -3.18 -0.35 0.00 0.52 0.00 0.00 54.79 51.96 1g3g n ASP 139 Cb 0.45 -0.43 -0.09 0.00 -0.72 0.00 0.00 41.12 40.33 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 -2.24 4.56 -0.11 5.18 1.01 -1.11 -4.43 121.20 124.06 1g3g s ILE 140 Ca 0.32 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 60.79 1g3g s ILE 140 Cb 0.32 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.83 1g3g s ILE 140 CO -0.06 0.57 -0.20 -0.76 0.00 0.00 0.00 174.94 174.49 1g3g s LEU 141 N -1.03 2.33 -0.05 2.97 1.02 0.14 -4.96 118.68 119.10 1g3g s LEU 141 Ca 0.15 -0.47 0.05 0.00 0.02 0.00 0.00 54.13 53.88 1g3g s LEU 141 Cb -0.12 -1.49 -0.02 0.00 0.02 0.00 0.00 46.19 44.59 1g3g s LEU 141 CO 0.04 0.16 -0.19 -0.44 0.02 0.00 0.00 176.35 175.95 1g3g s SER 142 N 0.34 3.66 -0.04 2.29 0.01 -1.26 0.18 113.70 118.89 1g3g s SER 142 Ca -0.16 -0.31 0.06 0.00 1.31 0.00 0.00 55.95 56.85 1g3g s SER 142 Cb -0.17 -0.74 -0.02 0.00 0.21 0.00 0.00 66.02 65.30 1g3g s SER 142 CO 0.08 0.32 -0.22 -0.76 0.41 0.00 0.00 173.24 173.06 1g3g s LEU 143 N -0.59 2.26 -0.01 2.44 1.02 0.43 -3.65 118.68 120.57 1g3g s LEU 143 Ca 0.09 -0.40 0.07 0.00 0.02 0.00 0.00 54.13 53.91 1g3g s LEU 143 Cb -0.11 -1.41 -0.02 0.00 0.02 0.00 0.00 46.19 44.67 1g3g s LEU 143 CO 0.01 0.31 -0.22 -0.69 0.02 0.00 0.00 176.35 175.78 1g3g s VAL 144 N -0.55 1.71 -0.16 -1.59 1.01 -0.93 0.14 120.40 120.04 1g3g s VAL 144 Ca 0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 61.98 61.09 1g3g s VAL 144 Cb -0.11 -1.43 -0.01 0.00 0.00 0.00 0.00 36.38 34.83 1g3g s VAL 144 CO 0.00 0.46 -0.11 -0.63 0.00 0.00 0.00 175.10 174.82 1g3g s ILE 145 N -0.54 3.12 -0.19 2.22 1.01 0.16 0.19 121.20 127.17 1g3g s ILE 145 Ca 0.08 -0.62 -0.03 0.00 0.00 0.00 0.00 60.65 60.08 1g3g s ILE 145 Cb -0.08 -2.34 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1g3g s ILE 145 CO -0.01 0.50 -0.05 0.12 0.00 0.00 0.00 174.94 175.50 1g3g s PHE 146 N 0.71 2.96 -0.15 3.97 5.36 0.34 -2.79 117.98 128.37 1g3g s PHE 146 Ca -0.05 -0.72 -0.05 0.00 -0.96 0.00 0.00 56.93 55.15 1g3g s PHE 146 Cb -0.15 -2.04 -0.03 0.00 -0.34 0.00 0.00 43.02 40.45 1g3g s PHE 146 CO 0.02 -0.37 0.01 0.42 -1.46 0.00 0.00 175.22 173.84 1g3g s ILE 147 N 1.06 4.37 0.24 3.12 1.09 -1.26 0.15 121.20 129.98 1g3g s ILE 147 Ca 0.01 -0.19 -0.27 0.00 -1.10 0.00 0.00 60.65 59.10 1g3g s ILE 147 Cb -0.15 -2.92 -0.09 0.00 -1.06 0.00 0.00 42.46 38.24 1g3g s ILE 147 CO 0.00 0.51 0.88 0.54 -0.10 0.00 0.00 174.94 176.76 1g3g s ASN 148 N 0.07 7.43 0.48 3.58 2.20 -1.26 -4.94 114.94 122.51 1g3g s ASN 148 Ca 0.03 1.78 0.29 0.00 -0.94 0.00 0.00 52.86 54.02 1g3g s ASN 148 Cb -0.13 -2.55 0.97 0.00 -2.00 0.00 0.00 41.25 37.54 1g3g s ASN 148 CO 0.02 0.10 1.83 0.44 -2.94 0.00 0.00 177.10 176.55 1g3g h ASP 149 N 3.84 0.00 -0.57 3.54 5.19 -1.98 -3.21 116.42 123.24 1g3g h ASP 149 Ca -0.46 0.00 0.03 0.00 -0.62 0.00 0.00 57.03 55.98 1g3g h ASP 149 Cb 1.20 0.00 -0.04 0.00 0.18 0.00 0.00 39.33 40.67 1g3g h ASP 149 CO 0.66 0.00 0.33 0.11 -3.12 0.00 0.00 179.24 177.22 1g3g h LYS 150 N 0.00 0.63 -0.65 3.56 6.56 -1.93 -1.06 116.57 123.67 1g3g h LYS 150 Ca 0.00 -0.04 0.01 0.00 -1.06 0.00 0.00 60.65 59.57 1g3g h LYS 150 Cb 0.68 -0.14 -0.04 0.00 -0.57 0.00 0.00 32.23 32.16 1g3g h LYS 150 CO 0.00 0.41 0.42 0.35 -2.06 0.00 0.00 179.45 178.58 1g3g h PHE 151 N 0.64 0.80 -0.31 -1.35 3.04 -1.70 -2.06 116.94 116.01 1g3g h PHE 151 Ca 0.23 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.15 1g3g h PHE 151 Cb 0.06 -0.27 -0.02 0.00 2.56 0.00 0.00 35.95 38.29 1g3g h PHE 151 CO -0.07 0.49 -0.06 -0.22 -2.02 0.00 0.00 178.31 176.43 1g3g h LYS 152 N 0.86 0.49 -0.43 1.11 3.64 -1.56 -2.84 116.57 117.84 1g3g h LYS 152 Ca 0.25 -0.12 0.02 0.00 -1.27 0.00 0.00 60.65 59.53 1g3g h LYS 152 Cb -0.06 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 31.66 1g3g h LYS 152 CO -0.07 0.56 0.26 0.37 -2.27 0.00 0.00 179.45 178.30 1g3g h GLN 153 N 0.46 0.50 -0.43 1.90 4.15 -0.49 0.21 115.11 121.42 1g3g h GLN 153 Ca 0.09 -0.03 -0.00 0.00 0.77 0.00 0.00 58.65 59.48 1g3g h GLN 153 Cb 0.39 -0.11 -0.02 0.00 0.21 0.00 0.00 27.48 27.95 1g3g h GLN 153 CO 0.02 0.33 0.25 0.00 -1.93 0.00 0.00 178.83 177.50 1g3g h LEU 155 N 0.56 0.62 -1.36 0.00 -0.00 -1.28 -2.46 115.31 111.38 1g3g h LEU 155 Ca 0.15 -0.18 0.02 0.00 -0.00 0.00 0.00 57.88 57.87 1g3g h LEU 155 Cb 0.02 -0.17 -0.04 0.00 -0.00 0.00 0.00 40.66 40.48 1g3g h LEU 155 CO -0.03 0.78 0.44 -0.08 -0.00 0.00 0.00 178.44 179.56 1g3g h GLU 156 N 0.57 0.83 0.01 1.13 4.81 -0.16 -1.77 114.58 119.99 1g3g h GLU 156 Ca 0.10 -0.05 -0.19 0.00 -0.13 0.00 0.00 59.36 59.08 1g3g h GLU 156 Cb 0.58 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.76 1g3g h GLU 156 CO 0.04 0.55 -0.87 1.96 -0.73 0.00 0.00 179.01 179.95 1g3g h GLN 157 N 0.86 0.15 -3.00 1.92 1.08 -1.14 -3.38 115.11 111.60 1g3g h GLN 157 Ca 0.26 -0.17 -0.62 0.00 -1.45 0.00 0.00 58.65 56.67 1g3g h GLN 157 Cb -0.02 0.05 -0.42 0.00 -0.05 0.00 0.00 27.48 27.04 1g3g h GLN 157 CO -0.06 0.93 -0.62 -0.80 -0.95 0.00 0.00 178.83 177.32 1g3g s ASN 158 N -6.89 4.43 -0.04 1.46 0.01 -0.70 -5.07 114.94 108.14 1g3g s ASN 158 Ca -0.02 -3.76 0.05 0.00 -0.71 0.00 0.00 52.86 48.41 1g3g s ASN 158 Cb 0.10 -1.49 -0.01 0.00 0.41 0.00 0.00 41.25 40.26 1g3g s ASN 158 CO 0.82 -0.09 -0.18 -0.75 -1.51 0.00 0.00 177.10 175.38 1g3g s LYS 159 N -1.28 1.80 -0.11 -0.60 2.20 -1.01 -4.70 119.74 116.03 1g3g s LYS 159 Ca 0.26 -0.66 -0.12 0.00 -0.36 0.00 0.00 55.97 55.08 1g3g s LYS 159 Cb -0.04 -1.60 -0.05 0.00 -1.51 0.00 0.00 37.83 34.64 1g3g s LYS 159 CO -0.17 0.30 0.28 0.54 -0.36 0.00 0.00 175.35 175.95 1g3g s VAL 160 N -0.12 5.29 -0.00 4.02 0.11 -1.26 -5.00 120.40 123.43 1g3g s VAL 160 Ca -0.01 0.53 -0.01 0.00 -2.93 0.00 0.00 61.98 59.57 1g3g s VAL 160 Cb -0.11 -3.60 -0.00 0.00 -1.53 0.00 0.00 36.38 31.15 1g3g s VAL 160 CO 0.02 0.49 -0.01 -0.67 -3.33 0.00 0.00 175.10 171.59 1g3g n ASP 161 N 2.81 0.12 0.00 3.54 -0.08 -1.26 -4.98 116.55 116.71 1g3g n ASP 161 Ca -0.14 0.02 0.00 0.00 -1.51 0.00 0.00 54.79 53.16 1g3g n ASP 161 Cb 0.53 -0.26 0.00 0.00 2.34 0.00 0.00 41.12 43.72 1g3g n ASP 161 CO 0.00 0.00 0.00 -1.14 0.12 0.00 0.00 177.20 176.18 1g3g n ARG 162 N -2.62 0.00 -3.03 -0.67 0.63 -1.26 -4.78 116.66 104.94 1g3g n ARG 162 Ca -0.01 0.00 -0.40 0.00 -0.92 0.00 0.00 57.85 56.53 1g3g n ARG 162 Cb 0.02 0.00 -0.05 0.00 0.45 0.00 0.00 32.46 32.88 1g3g n ARG 162 CO 0.00 0.00 0.00 0.42 -2.51 0.00 0.00 177.63 175.54 1g3g s ILE 163 N 0.00 5.02 0.00 5.15 1.01 -1.26 -5.38 121.20 125.75 1g3g s ILE 163 Ca 0.00 1.48 0.00 0.00 0.00 0.00 0.00 60.65 62.13 1g3g s ILE 163 Cb 0.00 -4.06 0.00 0.00 0.01 0.00 0.00 42.46 38.41 1g3g s ILE 163 CO 0.00 0.25 0.00 0.54 0.00 0.00 0.00 174.94 175.73