#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g s GLU 2 N 0.00 4.22 -0.40 1.61 0.41 -1.26 -4.91 118.70 118.37 1g3g s GLU 2 Ca 0.00 2.36 0.09 0.00 -0.41 0.00 0.00 54.97 57.01 1g3g s GLU 2 Cb 0.00 -3.14 0.39 0.00 -1.78 0.00 0.00 34.13 29.59 1g3g s GLU 2 CO 0.00 -0.58 1.29 -1.71 -0.49 0.00 0.00 175.26 173.77 1g3g n ASN 3 N 3.70 -1.69 0.03 -0.19 5.15 -1.26 -5.01 115.26 115.99 1g3g n ASN 3 Ca 0.13 -2.65 0.00 0.00 -0.60 0.00 0.00 54.58 51.46 1g3g n ASN 3 Cb 0.39 1.00 0.00 0.00 -0.53 0.00 0.00 39.78 40.64 1g3g n ASN 3 CO 0.00 0.00 0.00 -0.38 1.40 0.00 0.00 177.26 178.28 1g3g n ILE 4 N -0.43 0.52 -3.39 -1.44 5.41 -1.26 -5.06 119.36 113.72 1g3g n ILE 4 Ca -0.01 0.17 -0.15 0.00 1.00 0.00 0.00 62.75 63.77 1g3g n ILE 4 Cb 0.83 -1.20 -0.09 0.00 -0.71 0.00 0.00 39.64 38.47 1g3g n ILE 4 CO 0.00 0.00 0.00 0.42 0.00 0.00 0.00 176.55 176.97 1g3g s THR 5 N -1.45 -0.46 0.07 1.39 -4.23 -1.26 -5.04 115.64 104.66 1g3g s THR 5 Ca 0.00 -0.36 -0.26 0.00 -1.18 0.00 0.00 61.69 59.88 1g3g s THR 5 Cb 0.00 -0.94 -0.17 0.00 1.34 0.00 0.00 72.50 72.74 1g3g s THR 5 CO 0.00 -0.37 1.64 -0.61 -0.54 0.00 0.00 174.62 174.75 1g3g h GLN 6 N 8.24 -0.28 -6.05 3.99 -0.00 -1.97 -3.43 115.11 115.61 1g3g h GLN 6 Ca -0.13 0.02 -0.71 0.00 -0.00 0.00 0.00 58.65 57.83 1g3g h GLN 6 Cb 1.10 0.06 -0.01 0.00 0.00 0.00 0.00 27.48 28.64 1g3g h GLN 6 CO 0.31 -0.14 1.21 -2.30 0.00 0.00 0.00 178.83 177.91 1g3g n PRO 7 N -5.19 0.99 -1.75 -2.39 -0.02 -1.26 -4.85 135.00 120.52 1g3g n PRO 7 Ca -0.09 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.28 1g3g n PRO 7 Cb 0.16 -2.20 -0.03 0.00 -0.02 0.00 0.00 33.50 31.40 1g3g n PRO 7 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1g3g s THR 8 N 5.70 2.44 -0.43 3.45 2.01 -1.26 -4.96 115.64 122.58 1g3g s THR 8 Ca 1.07 0.11 0.02 0.00 0.31 0.00 0.00 61.69 63.20 1g3g s THR 8 Cb -1.02 -3.07 0.15 0.00 0.01 0.00 0.00 72.50 68.57 1g3g s THR 8 CO 0.58 0.00 0.29 0.00 -0.69 0.00 0.00 174.62 174.80 1g3g s GLN 9 N 2.17 1.07 0.30 4.92 -2.07 -1.26 -4.97 119.66 119.82 1g3g s GLN 9 Ca 0.78 -1.98 -0.02 0.00 -1.82 0.00 0.00 55.36 52.32 1g3g s GLN 9 Cb -0.46 -1.85 0.45 0.00 -1.09 0.00 0.00 33.01 30.05 1g3g s GLN 9 CO 0.34 -1.26 1.96 0.37 -1.32 0.00 0.00 175.29 175.39 1g3g h GLN 10 N 6.33 1.07 -3.72 9.60 4.15 -2.03 -3.45 115.11 127.05 1g3g h GLN 10 Ca 0.12 -0.07 -0.15 0.00 0.77 0.00 0.00 58.65 59.31 1g3g h GLN 10 Cb 0.92 -0.24 -0.06 0.00 0.21 0.00 0.00 27.48 28.31 1g3g h GLN 10 CO 0.41 0.72 -0.06 0.45 -1.93 0.00 0.00 178.83 178.41 1g3g s SER 11 N -6.31 0.42 -0.37 -0.69 0.15 -1.26 -5.14 113.70 100.50 1g3g s SER 11 Ca -0.11 -1.24 0.03 0.00 0.70 0.00 0.00 55.95 55.32 1g3g s SER 11 Cb 0.18 0.69 0.15 0.00 -1.71 0.00 0.00 66.02 65.33 1g3g s SER 11 CO 0.79 -1.35 0.34 0.42 1.20 0.00 0.00 173.24 174.65 1g3g s THR 12 N -3.16 -0.19 -0.50 6.45 -4.23 -1.26 -4.99 115.64 107.77 1g3g s THR 12 Ca 0.25 -1.28 0.03 0.00 -1.18 0.00 0.00 61.69 59.50 1g3g s THR 12 Cb -0.02 -0.80 0.54 0.00 1.34 0.00 0.00 72.50 73.57 1g3g s THR 12 CO 0.15 -0.72 1.83 0.00 -0.54 0.00 0.00 174.62 175.34 1g3g n GLN 13 N 4.06 2.49 -3.07 3.99 0.00 -1.26 -4.60 117.38 118.99 1g3g n GLN 13 Ca 0.13 -3.26 -0.17 0.00 0.00 0.00 0.00 57.00 53.69 1g3g n GLN 13 Cb 0.43 -2.18 -0.02 0.00 0.00 0.00 0.00 30.24 28.48 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 1g3g n ALA 14 N -1.01 1.32 0.00 2.61 0.00 -1.26 -4.92 120.51 117.25 1g3g n ALA 14 Ca 0.56 -2.88 0.00 0.00 0.00 0.00 0.00 53.44 51.12 1g3g n ALA 14 Cb 1.11 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.58 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 0.81 0.00 -0.10 0.00 -2.24 -1.26 -4.81 114.28 106.67 1g3g n THR 15 Ca 0.19 0.00 -0.06 0.00 -2.27 0.00 0.00 64.05 61.91 1g3g n THR 15 Cb 0.62 -0.42 0.13 0.00 -2.10 0.00 0.00 70.33 68.56 1g3g n THR 15 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1g3g h GLN 16 N 0.00 0.79 -0.75 -0.78 -0.00 -1.92 -2.72 115.11 109.74 1g3g h GLN 16 Ca 0.00 -0.25 -0.02 0.00 -0.00 0.00 0.00 58.65 58.38 1g3g h GLN 16 Cb 0.00 -0.07 -0.04 0.00 0.00 0.00 0.00 27.48 27.37 1g3g h GLN 16 CO 0.00 0.86 0.40 0.00 0.00 0.00 0.00 178.83 180.09 1g3g h ARG 17 N 0.72 1.04 -0.44 1.69 3.08 -1.91 -2.39 114.38 116.17 1g3g h ARG 17 Ca 0.13 -0.13 -0.06 0.00 0.07 0.00 0.00 59.98 59.99 1g3g h ARG 17 Cb 0.56 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 30.39 1g3g h ARG 17 CO 0.03 0.78 0.03 0.74 -1.07 0.00 0.00 179.97 180.48 1g3g h PHE 18 N 1.03 0.73 -0.79 3.04 0.04 -1.83 -2.75 116.94 116.41 1g3g h PHE 18 Ca 0.26 -0.08 0.01 0.00 2.80 0.00 0.00 57.97 60.96 1g3g h PHE 18 Cb 0.04 -0.21 -0.04 0.00 2.20 0.00 0.00 35.95 37.95 1g3g h PHE 18 CO 0.00 0.67 0.52 1.25 -0.60 0.00 0.00 178.31 180.15 1g3g h LEU 19 N 0.66 0.89 -0.82 1.54 6.46 -1.13 -2.35 115.31 120.57 1g3g h LEU 19 Ca 0.14 -0.02 -0.03 0.00 -0.12 0.00 0.00 57.88 57.85 1g3g h LEU 19 Cb 0.37 -0.22 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1g3g h LEU 19 CO 0.01 0.64 0.41 0.40 -0.62 0.00 0.00 178.44 179.29 1g3g h ILE 20 N 1.05 1.25 -0.69 4.05 1.08 -1.26 -2.38 117.51 120.61 1g3g h ILE 20 Ca 0.29 -0.68 0.06 0.00 -0.39 0.00 0.00 64.86 64.14 1g3g h ILE 20 Cb -0.10 0.19 -0.04 0.00 -3.07 0.00 0.00 36.82 33.79 1g3g h ILE 20 CO -0.07 0.30 0.46 -0.33 -0.69 0.00 0.00 178.15 177.81 1g3g h GLU 21 N 1.16 0.70 -0.30 2.37 5.08 -1.27 -0.83 114.58 121.48 1g3g h GLU 21 Ca 0.29 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.58 1g3g h GLU 21 Cb 0.09 -0.16 -0.02 0.00 0.50 0.00 0.00 28.75 29.17 1g3g h GLU 21 CO -0.04 0.46 0.07 -0.22 -1.00 0.00 0.00 179.01 178.28 1g3g h LYS 22 N 0.72 0.43 -0.22 2.33 1.63 -1.17 -2.63 116.57 117.66 1g3g h LYS 22 Ca 0.30 -0.06 -0.00 0.00 -0.85 0.00 0.00 60.65 60.03 1g3g h LYS 22 Cb 0.25 -0.08 -0.01 0.00 -0.60 0.00 0.00 32.23 31.79 1g3g h LYS 22 CO -0.10 0.41 0.12 0.35 -3.45 0.00 0.00 179.45 176.78 1g3g h PHE 23 N 0.43 0.30 -0.31 1.91 3.57 -1.12 -3.00 116.94 118.72 1g3g h PHE 23 Ca 0.10 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 61.60 1g3g h PHE 23 Cb 0.18 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 38.80 1g3g h PHE 23 CO 0.01 0.28 0.20 1.03 -2.23 0.00 0.00 178.31 177.59 1g3g h SER 24 N 0.24 0.35 -5.07 0.41 0.87 -1.43 -3.45 113.55 105.47 1g3g h SER 24 Ca 0.08 -0.01 -0.11 0.00 -1.23 0.00 0.00 61.79 60.51 1g3g h SER 24 Cb 0.08 -0.09 -0.17 0.00 -0.44 0.00 0.00 62.40 61.78 1g3g h SER 24 CO -0.01 0.25 -0.42 -1.10 -0.53 0.00 0.00 176.83 175.02 1g3g s GLN 25 N -6.17 0.67 0.20 2.24 -0.21 -1.02 -5.15 119.66 110.21 1g3g s GLN 25 Ca -0.13 -0.64 0.01 0.00 0.02 0.00 0.00 55.36 54.62 1g3g s GLN 25 Cb 0.10 0.27 -0.04 0.00 1.00 0.00 0.00 33.01 34.34 1g3g s GLN 25 CO 0.71 -0.19 0.36 -1.21 -2.12 0.00 0.00 175.29 172.84 1g3g s GLU 26 N -2.53 3.48 -0.16 2.91 0.41 -1.25 -4.06 118.70 117.51 1g3g s GLU 26 Ca -0.05 -0.46 -0.13 0.00 -0.41 0.00 0.00 54.97 53.91 1g3g s GLU 26 Cb -0.01 -2.87 -0.05 0.00 -1.78 0.00 0.00 34.13 29.42 1g3g s GLU 26 CO -0.04 0.43 0.27 -1.14 -0.49 0.00 0.00 175.26 174.29 1g3g s GLN 27 N -3.42 4.19 0.19 1.61 0.74 -1.26 -5.07 119.66 116.64 1g3g s GLN 27 Ca 0.37 0.06 -0.28 0.00 0.05 0.00 0.00 55.36 55.56 1g3g s GLN 27 Cb -0.11 -3.40 -0.08 0.00 1.10 0.00 0.00 33.01 30.52 1g3g s GLN 27 CO 0.29 0.30 0.86 0.42 -0.55 0.00 0.00 175.29 176.61 1g3g s ILE 28 N 0.30 4.25 0.00 -2.34 -1.09 -1.26 -4.78 121.20 116.28 1g3g s ILE 28 Ca 0.16 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.47 1g3g s ILE 28 Cb -0.13 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1g3g s ILE 28 CO 0.04 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.85 1g3g n GLY 29 N 1.61 0.09 0.21 6.18 0.00 -1.26 -4.82 105.19 107.20 1g3g n GLY 29 Ca -0.03 -0.05 0.09 0.00 0.00 0.00 0.00 46.02 46.02 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 -1.97 -3.07 114.58 116.23 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 0.26 -0.98 0.09 -1.00 0.00 0.00 179.01 177.37 1g3g n ASN 31 N -3.32 1.30 -4.56 1.42 5.03 -1.26 -4.28 115.26 109.58 1g3g n ASN 31 Ca 0.01 -0.44 -0.40 0.00 0.87 0.00 0.00 54.58 54.62 1g3g n ASN 31 Cb 0.50 1.24 -0.03 0.00 -1.02 0.00 0.00 39.78 40.47 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 -2.42 3.57 0.10 2.41 -1.09 -1.16 -2.60 121.20 120.01 1g3g s ILE 32 Ca 0.01 0.38 -0.19 0.00 -2.23 0.00 0.00 60.65 58.62 1g3g s ILE 32 Cb 0.08 -4.34 -0.04 0.00 -1.58 0.00 0.00 42.46 36.58 1g3g s ILE 32 CO 0.49 -1.24 1.08 0.55 -1.23 0.00 0.00 174.94 174.59 1g3g n VAL 33 N 6.89 -0.42 -3.68 2.92 3.14 -0.94 -4.76 118.33 121.47 1g3g n VAL 33 Ca 0.13 1.69 -0.09 0.00 -2.96 0.00 0.00 64.34 63.11 1g3g n VAL 33 Cb 0.50 -2.10 -0.02 0.00 -1.06 0.00 0.00 33.84 31.16 1g3g n VAL 33 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1g3g s ARG 35 N -3.85 1.51 -0.02 0.00 3.52 0.13 0.12 118.95 120.35 1g3g s ARG 35 Ca 0.07 -0.56 -0.20 0.00 -0.13 0.00 0.00 55.73 54.91 1g3g s ARG 35 Cb -0.03 -2.06 -0.05 0.00 -1.56 0.00 0.00 34.95 31.24 1g3g s ARG 35 CO -0.02 -0.43 0.58 0.54 -0.81 0.00 0.00 175.30 175.16 1g3g s VAL 36 N 1.60 4.95 -0.23 7.11 0.11 -0.59 0.18 120.40 133.53 1g3g s VAL 36 Ca 0.00 1.21 -0.02 0.00 -2.93 0.00 0.00 61.98 60.25 1g3g s VAL 36 Cb -0.15 -3.92 0.07 0.00 -1.53 0.00 0.00 36.38 30.85 1g3g s VAL 36 CO -0.08 0.41 0.03 -0.63 -3.33 0.00 0.00 175.10 171.50 1g3g s ILE 37 N -0.09 0.75 -0.52 7.04 1.01 0.43 -1.48 121.20 128.35 1g3g s ILE 37 Ca 0.31 -0.84 -0.22 0.00 0.00 0.00 0.00 60.65 59.89 1g3g s ILE 37 Cb -0.18 -1.28 0.04 0.00 0.01 0.00 0.00 42.46 41.05 1g3g s ILE 37 CO 0.16 -0.29 0.81 0.00 0.00 0.00 0.00 174.94 175.62 1g3g n THR 39 N 6.00 0.38 0.33 0.00 5.66 -1.26 -4.29 114.28 121.10 1g3g n THR 39 Ca -0.01 -0.59 0.20 0.00 -3.05 0.00 0.00 64.05 60.60 1g3g n THR 39 Cb 0.47 -0.15 1.06 0.00 -1.55 0.00 0.00 70.33 70.16 1g3g n THR 39 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1g3g h THR 40 N 0.00 0.06 0.00 1.09 1.35 -1.90 -3.45 112.91 110.06 1g3g h THR 40 Ca -0.13 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.73 1g3g h THR 40 Cb 1.29 0.89 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 1g3g h THR 40 CO 0.01 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.89 1g3g n GLY 41 N -1.16 0.77 2.07 5.82 0.00 -1.26 -4.93 105.19 106.50 1g3g n GLY 41 Ca -0.02 -0.71 0.00 0.00 0.00 0.00 0.00 46.02 45.29 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 0.00 0.00 -4.12 1.61 10.64 -1.26 -5.08 117.38 119.18 1g3g n GLN 42 Ca 0.00 0.00 -0.36 0.00 -1.83 0.00 0.00 57.00 54.81 1g3g n GLN 42 Cb 0.00 0.00 -0.08 0.00 -0.86 0.00 0.00 30.24 29.30 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 -1.30 4.90 0.34 -0.39 1.01 -1.26 -5.10 121.20 119.39 1g3g s ILE 43 Ca 0.00 -0.02 -0.22 0.00 0.00 0.00 0.00 60.65 60.41 1g3g s ILE 43 Cb 0.00 -3.11 -0.10 0.00 0.01 0.00 0.00 42.46 39.26 1g3g s ILE 43 CO 0.00 0.60 0.88 -2.16 0.00 0.00 0.00 174.94 174.26 1g3g s PRO 44 N -0.82 4.35 -0.42 2.79 0.04 -1.26 -3.59 135.00 136.09 1g3g s PRO 44 Ca 0.13 1.10 -0.43 0.00 0.04 0.00 0.00 61.00 61.85 1g3g s PRO 44 Cb -0.12 -2.58 -0.17 0.00 0.04 0.00 0.00 34.50 31.67 1g3g s PRO 44 CO 0.03 0.19 1.86 -0.89 0.04 0.00 0.00 177.00 178.23 1g3g n ILE 45 N 0.11 0.12 -4.84 0.56 5.41 -1.26 -4.72 119.36 114.74 1g3g n ILE 45 Ca 0.03 -0.05 -0.33 0.00 1.00 0.00 0.00 62.75 63.40 1g3g n ILE 45 Cb 0.52 -0.87 -0.14 0.00 -0.71 0.00 0.00 39.64 38.44 1g3g n ILE 45 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 176.55 176.42 1g3g s ARG 46 N 4.38 3.22 -0.26 0.38 1.81 -0.55 -5.02 118.95 122.91 1g3g s ARG 46 Ca 1.08 -0.71 -0.22 0.00 -1.72 0.00 0.00 55.73 54.16 1g3g s ARG 46 Cb -1.29 -2.56 -0.01 0.00 -0.45 0.00 0.00 34.95 30.64 1g3g s ARG 46 CO 0.69 0.27 0.70 -0.51 -0.68 0.00 0.00 175.30 175.77 1g3g s ASP 47 N 0.19 6.65 -0.26 0.23 1.11 -1.26 -1.54 116.67 121.78 1g3g s ASP 47 Ca -0.08 0.78 -0.12 0.00 0.18 0.00 0.00 52.55 53.30 1g3g s ASP 47 Cb -0.15 -2.37 -0.05 0.00 1.07 0.00 0.00 42.92 41.42 1g3g s ASP 47 CO 0.05 -0.44 0.25 -0.76 1.18 0.00 0.00 175.17 175.45 1g3g s LEU 48 N 2.65 4.06 0.30 1.23 1.43 0.32 -4.98 118.68 123.68 1g3g s LEU 48 Ca 0.29 0.14 0.10 0.00 -1.03 0.00 0.00 54.13 53.64 1g3g s LEU 48 Cb -0.15 -2.23 -0.06 0.00 0.03 0.00 0.00 46.19 43.78 1g3g s LEU 48 CO 0.09 -0.06 -0.15 -0.44 0.23 0.00 0.00 176.35 176.01 1g3g s SER 49 N 1.51 3.52 0.36 2.29 0.01 -1.26 0.21 113.70 120.34 1g3g s SER 49 Ca 0.10 -1.10 0.09 0.00 1.31 0.00 0.00 55.95 56.35 1g3g s SER 49 Cb -0.15 -0.30 -0.06 0.00 0.21 0.00 0.00 66.02 65.72 1g3g s SER 49 CO 0.09 -0.08 0.02 0.00 0.41 0.00 0.00 173.24 173.67 1g3g s ALA 50 N -2.61 3.21 -0.93 1.44 0.00 -1.07 -4.45 121.76 117.36 1g3g s ALA 50 Ca 0.30 -2.05 -0.00 0.00 0.00 0.00 0.00 51.96 50.21 1g3g s ALA 50 Cb -0.02 -0.24 0.31 0.00 0.00 0.00 0.00 23.12 23.17 1g3g s ALA 50 CO 0.15 0.01 1.49 -0.25 0.00 0.00 0.00 175.76 177.15 1g3g n ASP 51 N -0.97 6.29 -0.17 0.00 9.92 -1.26 -4.76 116.55 125.60 1g3g n ASP 51 Ca -0.04 -3.60 -0.08 0.00 -0.53 0.00 0.00 54.79 50.54 1g3g n ASP 51 Cb 0.63 -1.04 0.01 0.00 -0.64 0.00 0.00 41.12 40.08 1g3g n ASP 51 CO 0.00 0.00 0.00 0.40 0.13 0.00 0.00 177.20 177.73 1g3g h ILE 52 N 2.74 1.21 -0.55 0.53 2.04 -1.98 -1.25 117.51 120.25 1g3g h ILE 52 Ca 0.35 -0.64 -0.10 0.00 1.00 0.00 0.00 64.86 65.47 1g3g h ILE 52 Cb 0.46 0.73 -0.02 0.00 -0.74 0.00 0.00 36.82 37.25 1g3g h ILE 52 CO 1.12 0.24 -0.06 -1.28 0.00 0.00 0.00 178.15 178.18 1g3g h SER 53 N 0.64 0.98 -0.59 1.72 0.87 -1.97 -2.58 113.55 112.61 1g3g h SER 53 Ca 0.16 -0.30 -0.08 0.00 -1.23 0.00 0.00 61.79 60.34 1g3g h SER 53 Cb 0.19 -0.26 -0.02 0.00 -0.44 0.00 0.00 62.40 61.86 1g3g h SER 53 CO -0.01 1.07 0.04 1.56 -0.53 0.00 0.00 176.83 178.95 1g3g h GLN 54 N 0.90 1.02 -0.77 2.24 4.20 -1.90 -2.85 115.11 117.94 1g3g h GLN 54 Ca 0.15 -0.30 -0.05 0.00 0.06 0.00 0.00 58.65 58.51 1g3g h GLN 54 Cb 0.60 -0.10 -0.03 0.00 0.30 0.00 0.00 27.48 28.25 1g3g h GLN 54 CO 0.04 0.99 0.30 0.28 -0.67 0.00 0.00 178.83 179.77 1g3g h VAL 55 N 0.92 1.26 -0.21 -0.54 2.07 -1.11 0.99 116.25 119.62 1g3g h VAL 55 Ca 0.17 -0.82 -0.02 0.00 0.82 0.00 0.00 66.70 66.86 1g3g h VAL 55 Cb 0.50 0.35 -0.01 0.00 -1.52 0.00 0.00 31.29 30.61 1g3g h VAL 55 CO 0.02 0.33 0.05 0.25 0.02 0.00 0.00 177.57 178.25 1g3g h LEU 56 N 1.12 0.27 0.00 2.57 6.46 -1.30 -2.69 115.31 121.74 1g3g h LEU 56 Ca 0.26 -0.02 -0.25 0.00 -0.12 0.00 0.00 57.88 57.74 1g3g h LEU 56 Cb 0.22 -0.07 -0.04 0.00 -0.73 0.00 0.00 40.66 40.04 1g3g h LEU 56 CO -0.02 0.28 -1.84 0.29 -0.62 0.00 0.00 178.44 176.53 1g3g n LYS 57 N -4.42 0.65 -0.98 1.25 4.01 -0.91 -4.96 118.16 112.80 1g3g n LYS 57 Ca 0.00 0.14 -0.18 0.00 -0.51 0.00 0.00 58.31 57.76 1g3g n LYS 57 Cb 0.15 -1.69 0.13 0.00 -0.51 0.00 0.00 35.03 33.11 1g3g n LYS 57 CO 0.00 0.00 0.00 0.39 -1.11 0.00 0.00 177.40 176.68 1g3g n GLU 58 N -2.84 -1.31 -0.13 1.97 4.71 0.34 -5.04 120.64 118.34 1g3g n GLU 58 Ca -0.18 -1.19 -0.28 0.00 -0.01 0.00 0.00 57.16 55.50 1g3g n GLU 58 Cb 0.97 -0.89 -0.10 0.00 -1.01 0.00 0.00 31.44 30.41 1g3g n GLU 58 CO 0.00 0.00 0.00 1.63 0.09 0.00 0.00 177.13 178.85 1g3g n LYS 59 N -3.00 0.60 0.00 3.49 4.01 -1.26 -4.91 118.16 117.09 1g3g n LYS 59 Ca 0.10 0.29 -0.00 0.00 -0.51 0.00 0.00 58.31 58.19 1g3g n LYS 59 Cb 0.35 -1.53 -0.00 0.00 -0.51 0.00 0.00 35.03 33.34 1g3g n LYS 59 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 1g3g n ARG 60 N -4.17 0.02 0.00 1.97 5.12 -1.26 -5.10 116.66 113.25 1g3g n ARG 60 Ca -0.51 0.01 0.00 0.00 -1.93 0.00 0.00 57.85 55.42 1g3g n ARG 60 Cb 0.87 -0.23 0.00 0.00 -1.16 0.00 0.00 32.46 31.95 1g3g n ARG 60 CO 0.00 0.00 0.00 0.45 -1.93 0.00 0.00 177.63 176.15 1g3g n SER 61 N -2.75 -3.73 -2.01 0.55 2.88 -1.26 -4.95 113.62 102.35 1g3g n SER 61 Ca -0.01 0.00 -0.01 0.00 -1.33 0.00 0.00 58.87 57.52 1g3g n SER 61 Cb 0.02 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.48 1g3g n SER 61 CO 0.00 0.00 0.00 -0.38 -1.23 0.00 0.00 175.04 173.43 1g3g n ILE 62 N -0.64 -5.95 0.00 2.46 2.08 -1.26 -5.07 119.36 110.98 1g3g n ILE 62 Ca 0.00 0.62 0.00 0.00 0.56 0.00 0.00 62.75 63.93 1g3g n ILE 62 Cb 0.00 -5.24 0.00 0.00 -0.75 0.00 0.00 39.64 33.65 1g3g n ILE 62 CO 0.00 0.00 0.00 2.29 0.56 0.00 0.00 176.55 179.40 1g3g n LYS 63 N 0.05 0.00 -4.53 0.38 2.85 -1.26 -4.71 118.16 110.94 1g3g n LYS 63 Ca 0.02 0.00 -0.22 0.00 -1.05 0.00 0.00 58.31 57.06 1g3g n LYS 63 Cb 0.06 0.00 -0.15 0.00 -0.65 0.00 0.00 35.03 34.29 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 177.40 177.56 1g3g s LYS 64 N 0.00 1.15 -0.01 -1.58 2.20 -1.18 -5.04 119.74 115.29 1g3g s LYS 64 Ca 0.00 -0.41 0.01 0.00 -0.36 0.00 0.00 55.97 55.21 1g3g s LYS 64 Cb 0.00 -1.06 0.01 0.00 -1.51 0.00 0.00 37.83 35.26 1g3g s LYS 64 CO 0.00 0.18 -0.03 0.08 -0.36 0.00 0.00 175.35 175.22 1g3g s VAL 65 N 0.05 0.25 -0.12 4.02 1.01 -1.26 0.12 120.40 124.47 1g3g s VAL 65 Ca -0.01 -0.09 -0.07 0.00 0.00 0.00 0.00 61.98 61.81 1g3g s VAL 65 Cb -0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 36.38 36.01 1g3g s VAL 65 CO 0.01 0.10 0.13 0.26 0.00 0.00 0.00 175.10 175.60 1g3g s TRP 66 N 0.21 3.57 -0.05 5.22 0.51 0.48 -4.87 118.94 124.00 1g3g s TRP 66 Ca -0.02 0.50 0.02 0.00 -2.12 0.00 0.00 56.10 54.48 1g3g s TRP 66 Cb -0.05 -1.95 0.02 0.00 -0.81 0.00 0.00 33.47 30.68 1g3g s TRP 66 CO -0.00 0.70 -0.09 0.99 -0.51 0.00 0.00 176.95 178.03 1g3g s THR 67 N -0.93 0.86 -0.29 2.01 2.01 -1.26 0.23 115.64 118.28 1g3g s THR 67 Ca 0.14 -0.33 -0.10 0.00 0.31 0.00 0.00 61.69 61.71 1g3g s THR 67 Cb -0.12 -0.82 -0.03 0.00 0.01 0.00 0.00 72.50 71.54 1g3g s THR 67 CO 0.04 0.29 0.17 -0.36 -0.69 0.00 0.00 174.62 174.07 1g3g s PHE 68 N 0.71 3.19 -5.00 4.92 0.08 0.33 0.34 117.98 122.55 1g3g s PHE 68 Ca -0.12 -0.13 0.00 0.00 0.12 0.00 0.00 56.93 56.79 1g3g s PHE 68 Cb -0.15 -2.37 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1g3g s PHE 68 CO 0.02 -0.27 0.00 0.41 -0.10 0.00 0.00 175.22 175.28 1g3g n GLY 69 N 5.03 -0.30 3.56 4.36 0.00 -1.21 0.10 105.19 116.73 1g3g n GLY 69 Ca -0.14 -1.13 -0.36 0.00 0.00 0.00 0.00 46.02 44.39 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 3.09 0.09 1.61 1.70 -1.25 -3.79 118.95 118.40 1g3g s ARG 70 Ca 0.00 -0.55 -0.11 0.00 -0.47 0.00 0.00 55.73 54.60 1g3g s ARG 70 Cb 0.00 -5.00 0.01 0.00 -0.57 0.00 0.00 34.95 29.39 1g3g s ARG 70 CO 0.00 -2.65 0.26 -0.80 -1.08 0.00 0.00 175.30 171.03 1g3g s ASN 71 N 6.18 -0.01 0.00 -2.89 -0.87 -1.26 -4.73 114.94 111.36 1g3g s ASN 71 Ca 0.55 -0.51 0.05 0.00 -1.57 0.00 0.00 52.86 51.39 1g3g s ASN 71 Cb -0.05 0.38 0.26 0.00 -0.02 0.00 0.00 41.25 41.82 1g3g s ASN 71 CO -0.00 -0.75 1.08 -0.81 -2.57 0.00 0.00 177.10 174.04 1g3g n PRO 72 N -0.03 0.05 0.00 -0.60 -0.04 -1.26 -4.08 135.00 129.03 1g3g n PRO 72 Ca -0.16 0.30 0.00 0.00 -0.04 0.00 0.00 63.50 63.61 1g3g n PRO 72 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 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 -1.37 0.00 0.00 0.55 0.00 -1.26 -4.40 120.51 114.03 1g3g n ALA 73 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1g3g n ALA 73 Cb 0.05 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 -2.39 1.95 -3.83 0.00 -0.08 1.03 -4.38 116.55 108.85 1g3g n ASP 75 Ca -0.00 0.28 -0.12 0.00 -1.51 0.00 0.00 54.79 53.44 1g3g n ASP 75 Cb 0.00 -0.82 -0.12 0.00 2.34 0.00 0.00 41.12 42.53 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 -2.47 -0.11 -0.46 -0.67 5.04 -1.13 -4.89 117.35 112.66 1g3g s TYR 76 Ca -0.33 0.27 -0.18 0.00 -2.44 0.00 0.00 57.07 54.39 1g3g s TYR 76 Cb 0.10 0.03 0.05 0.00 0.35 0.00 0.00 41.96 42.48 1g3g s TYR 76 CO 0.58 -0.13 0.51 -1.58 -1.34 0.00 0.00 175.55 173.58 1g3g s HIS 77 N -0.30 3.14 0.43 4.97 5.65 -1.26 -3.97 115.29 123.94 1g3g s HIS 77 Ca -0.04 -0.54 0.03 0.00 0.25 0.00 0.00 55.06 54.76 1g3g s HIS 77 Cb -0.03 -3.21 -0.04 0.00 -1.18 0.00 0.00 32.58 28.13 1g3g s HIS 77 CO 0.01 -0.85 0.05 -0.48 -0.65 0.00 0.00 174.74 172.81 1g3g s LEU 78 N 2.24 2.30 0.00 8.88 2.34 -1.25 -4.91 118.68 128.28 1g3g s LEU 78 Ca 0.12 -1.56 -0.10 0.00 0.06 0.00 0.00 54.13 52.65 1g3g s LEU 78 Cb -0.19 -0.53 0.16 0.00 -0.56 0.00 0.00 46.19 45.07 1g3g s LEU 78 CO 0.12 -0.76 0.35 0.61 -1.06 0.00 0.00 176.35 175.61 1g3g n GLY 79 N -1.01 -3.65 3.14 -3.48 0.00 -1.26 -4.58 105.19 94.35 1g3g n GLY 79 Ca -0.10 -1.19 -0.37 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.39 5.37 -0.26 1.61 2.20 -1.26 -4.41 114.94 115.80 1g3g s ASN 80 Ca 0.27 -2.16 -0.02 0.00 -0.94 0.00 0.00 52.86 50.02 1g3g s ASN 80 Cb -0.05 -1.88 0.03 0.00 -2.00 0.00 0.00 41.25 37.35 1g3g s ASN 80 CO 0.23 -0.55 -0.04 -0.63 -2.94 0.00 0.00 177.10 173.16 1g3g s ILE 81 N 0.97 2.93 0.60 0.54 1.09 -1.26 -4.99 121.20 121.08 1g3g s ILE 81 Ca 0.09 -1.10 0.30 0.00 -1.10 0.00 0.00 60.65 58.85 1g3g s ILE 81 Cb -0.23 -2.53 0.36 0.00 -1.06 0.00 0.00 42.46 39.00 1g3g s ILE 81 CO -0.03 0.13 2.06 0.77 -0.10 0.00 0.00 174.94 177.76 1g3g h SER 82 N 8.01 0.00 0.00 3.58 4.64 -2.00 -3.16 113.55 124.62 1g3g h SER 82 Ca -0.30 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.02 1g3g h SER 82 Cb 1.10 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.19 1g3g h SER 82 CO 0.56 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.06 1g3g n ARG 83 N -3.63 0.00 -3.75 4.77 3.00 -1.26 -4.95 116.66 110.84 1g3g n ARG 83 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.49 1g3g n ARG 83 Cb 0.38 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.72 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 4.12 0.00 0.55 2.01 -1.26 -4.52 118.68 119.58 1g3g s LEU 84 Ca 0.00 -0.95 0.00 0.00 0.01 0.00 0.00 54.13 53.19 1g3g s LEU 84 Cb 0.00 -1.88 0.00 0.00 0.01 0.00 0.00 46.19 44.32 1g3g s LEU 84 CO 0.00 -0.27 0.00 -1.20 1.01 0.00 0.00 176.35 175.89 1g3g n SER 85 N 4.84 0.00 -3.63 2.29 7.64 -1.26 -4.96 113.62 118.53 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 0.46 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.66 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 -3.87 6.43 3.02 -1.19 -3.69 115.26 115.96 1g3g n ASN 86 Ca 0.00 0.00 -0.19 0.00 -0.03 0.00 0.00 54.58 54.36 1g3g n ASN 86 Cb 0.00 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.11 1g3g n ASN 86 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1g3g n LYS 87 N 0.00 0.01 0.05 3.52 5.02 -1.25 -3.29 118.16 122.22 1g3g n LYS 87 Ca 0.00 -0.55 0.12 0.00 -2.02 0.00 0.00 58.31 55.86 1g3g n LYS 87 Cb 0.00 -1.86 0.07 0.00 -0.02 0.00 0.00 35.03 33.22 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 7.32 0.50 -3.61 2.13 -0.00 0.11 -4.34 115.22 117.33 1g3g n HIS 88 Ca 0.22 0.15 -0.05 0.00 0.46 0.00 0.00 57.72 58.50 1g3g n HIS 88 Cb 0.36 -0.62 -0.04 0.00 -0.12 0.00 0.00 29.99 29.57 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 -3.23 -0.15 0.05 1.57 5.36 0.23 -2.69 117.98 119.13 1g3g s PHE 89 Ca 0.03 0.21 0.02 0.00 -0.96 0.00 0.00 56.93 56.23 1g3g s PHE 89 Cb 0.13 0.49 -0.03 0.00 -0.34 0.00 0.00 43.02 43.27 1g3g s PHE 89 CO 0.77 -0.16 -0.06 -1.14 -1.46 0.00 0.00 175.22 173.17 1g3g s GLN 90 N -1.43 0.58 -0.07 10.12 0.74 0.17 0.12 119.66 129.89 1g3g s GLN 90 Ca 0.06 -0.92 0.04 0.00 0.05 0.00 0.00 55.36 54.59 1g3g s GLN 90 Cb -0.01 -0.17 0.00 0.00 1.10 0.00 0.00 33.01 33.93 1g3g s GLN 90 CO -0.05 0.01 -0.20 0.42 -0.55 0.00 0.00 175.29 174.92 1g3g s ILE 91 N -2.17 1.69 -0.01 -2.34 1.01 0.64 0.12 121.20 120.13 1g3g s ILE 91 Ca -0.04 -0.82 0.02 0.00 0.00 0.00 0.00 60.65 59.80 1g3g s ILE 91 Cb -0.05 -1.46 -0.03 0.00 0.01 0.00 0.00 42.46 40.92 1g3g s ILE 91 CO -0.02 0.48 -0.02 -0.76 0.00 0.00 0.00 174.94 174.62 1g3g s LEU 92 N 0.28 3.42 -0.12 2.97 1.02 0.46 0.18 118.68 126.88 1g3g s LEU 92 Ca -0.12 -0.03 0.01 0.00 0.02 0.00 0.00 54.13 54.01 1g3g s LEU 92 Cb -0.15 -1.94 0.02 0.00 0.02 0.00 0.00 46.19 44.14 1g3g s LEU 92 CO 0.05 0.29 -0.13 -0.22 0.02 0.00 0.00 176.35 176.36 1g3g s LEU 93 N -1.44 1.62 0.00 1.79 1.98 0.12 0.35 118.68 123.10 1g3g s LEU 93 Ca 0.18 -0.43 0.00 0.00 -2.89 0.00 0.00 54.13 51.00 1g3g s LEU 93 Cb -0.11 -1.08 0.00 0.00 0.66 0.00 0.00 46.19 45.66 1g3g s LEU 93 CO 0.09 -0.03 0.00 0.61 -1.89 0.00 0.00 176.35 175.12 1g3g n GLY 94 N 4.52 0.39 2.79 7.98 0.00 -0.91 -3.10 105.19 116.87 1g3g n GLY 94 Ca -0.17 -1.66 -0.02 0.00 0.00 0.00 0.00 46.02 44.17 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 -3.05 -2.37 1.61 1.02 -1.26 -3.74 120.64 112.85 1g3g n GLU 95 Ca 0.00 2.51 -0.20 0.00 -0.02 0.00 0.00 57.16 59.45 1g3g n GLU 95 Cb 0.00 -4.97 -0.01 0.00 -0.02 0.00 0.00 31.44 26.44 1g3g n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1g3g n ASP 96 N 0.63 -5.73 0.00 1.62 2.03 -1.26 -4.70 116.55 109.14 1g3g n ASP 96 Ca 0.01 -0.01 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1g3g n ASP 96 Cb 0.12 -4.75 0.00 0.00 -0.72 0.00 0.00 41.12 35.77 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g3g n GLY 97 N -1.01 -1.55 1.35 0.27 0.00 -1.24 -5.06 105.19 97.94 1g3g n GLY 97 Ca -0.24 -1.53 0.18 0.00 0.00 0.00 0.00 46.02 44.43 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 -1.73 -8.05 -4.77 1.61 3.02 -1.26 -4.59 115.26 99.49 1g3g n ASN 98 Ca 0.00 0.68 -0.26 0.00 -0.03 0.00 0.00 54.58 54.97 1g3g n ASN 98 Cb 0.00 -4.18 -0.06 0.00 -0.61 0.00 0.00 39.78 34.93 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 -6.91 3.68 0.04 3.41 1.02 -1.26 -2.15 118.68 116.51 1g3g s LEU 99 Ca 0.00 -0.22 0.03 0.00 0.02 0.00 0.00 54.13 53.97 1g3g s LEU 99 Cb 0.00 -2.28 -0.02 0.00 0.02 0.00 0.00 46.19 43.90 1g3g s LEU 99 CO 0.00 0.06 -0.10 -0.76 0.02 0.00 0.00 176.35 175.57 1g3g s LEU 100 N -3.17 2.22 -0.10 1.79 1.43 0.16 -2.98 118.68 118.02 1g3g s LEU 100 Ca 0.30 -0.49 0.02 0.00 -1.03 0.00 0.00 54.13 52.93 1g3g s LEU 100 Cb -0.10 -0.34 -0.01 0.00 0.03 0.00 0.00 46.19 45.77 1g3g s LEU 100 CO 0.22 -0.10 -0.18 -0.76 0.23 0.00 0.00 176.35 175.77 1g3g s LEU 101 N -1.36 2.45 -0.29 1.79 1.02 0.50 0.17 118.68 122.96 1g3g s LEU 101 Ca -0.04 -0.40 -0.02 0.00 0.02 0.00 0.00 54.13 53.68 1g3g s LEU 101 Cb -0.09 -1.52 0.04 0.00 0.02 0.00 0.00 46.19 44.65 1g3g s LEU 101 CO 0.01 0.20 -0.00 0.21 0.02 0.00 0.00 176.35 176.78 1g3g s ASN 102 N 0.15 4.83 -0.43 2.29 2.47 0.33 0.19 114.94 124.77 1g3g s ASN 102 Ca -0.10 -1.19 -0.28 0.00 0.42 0.00 0.00 52.86 51.71 1g3g s ASN 102 Cb -0.16 -1.71 0.02 0.00 -1.45 0.00 0.00 41.25 37.95 1g3g s ASN 102 CO 0.06 -0.24 1.05 -1.81 -3.72 0.00 0.00 177.10 172.44 1g3g s ASP 103 N 1.28 6.67 -0.26 -4.21 1.01 -1.23 0.43 116.67 120.35 1g3g s ASP 103 Ca -0.04 0.52 0.02 0.00 0.71 0.00 0.00 52.55 53.76 1g3g s ASP 103 Cb -0.19 -2.51 0.07 0.00 1.01 0.00 0.00 42.92 41.29 1g3g s ASP 103 CO -0.01 -1.08 -0.05 0.27 0.21 0.00 0.00 175.17 174.51 1g3g s ILE 104 N 4.02 1.80 0.29 0.77 -4.36 -1.23 0.19 121.20 122.67 1g3g s ILE 104 Ca 0.44 -1.52 0.03 0.00 -0.26 0.00 0.00 60.65 59.33 1g3g s ILE 104 Cb -0.09 -2.07 -0.06 0.00 1.25 0.00 0.00 42.46 41.49 1g3g s ILE 104 CO 0.26 -0.18 0.07 -0.44 0.24 0.00 0.00 174.94 174.88 1g3g s SER 105 N 1.24 1.85 -0.01 4.36 0.01 -1.10 0.76 113.70 120.82 1g3g s SER 105 Ca -0.04 -1.37 -0.15 0.00 1.31 0.00 0.00 55.95 55.70 1g3g s SER 105 Cb -0.19 0.02 -0.08 0.00 0.21 0.00 0.00 66.02 65.98 1g3g s SER 105 CO -0.07 -0.66 0.74 0.74 0.41 0.00 0.00 173.24 174.40 1g3g h THR 106 N 2.24 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.35 1g3g h THR 106 Ca -0.40 -0.35 -0.16 0.00 0.77 0.00 0.00 66.41 66.28 1g3g h THR 106 Cb 1.24 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.63 1g3g h THR 106 CO 0.66 0.00 -1.59 -0.46 0.37 0.00 0.00 175.52 174.50 1g3g n ASN 107 N -4.38 3.02 -3.73 4.18 0.23 -1.26 -5.05 115.26 108.27 1g3g n ASN 107 Ca -0.06 -0.02 -0.12 0.00 -0.53 0.00 0.00 54.58 53.84 1g3g n ASN 107 Cb 0.21 0.40 -0.13 0.00 -2.08 0.00 0.00 39.78 38.18 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 -4.38 -0.16 -0.04 4.83 0.00 -1.26 -5.05 107.32 101.26 1g3g s GLY 108 Ca -0.08 1.04 0.07 0.00 0.00 0.00 0.00 44.72 45.75 1g3g s GLY 108 CO 0.31 1.27 -0.24 -1.59 0.00 0.00 0.00 173.10 172.85 1g3g s THR 109 N 1.23 1.96 0.11 0.90 2.01 -1.26 -4.06 115.64 116.54 1g3g s THR 109 Ca -0.09 -1.04 0.10 0.00 0.31 0.00 0.00 61.69 60.97 1g3g s THR 109 Cb -0.10 -1.65 -0.04 0.00 0.01 0.00 0.00 72.50 70.73 1g3g s THR 109 CO -0.09 0.55 -0.26 0.26 -0.69 0.00 0.00 174.62 174.39 1g3g s TRP 110 N -0.38 2.27 -0.23 4.92 0.51 0.49 -1.05 118.94 125.48 1g3g s TRP 110 Ca 0.04 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1g3g s TRP 110 Cb -0.11 -1.26 0.05 0.00 -0.81 0.00 0.00 33.47 31.34 1g3g s TRP 110 CO 0.01 0.29 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.47 1g3g s LEU 111 N -1.90 2.82 -1.60 2.99 2.96 -0.55 0.13 118.68 123.53 1g3g s LEU 111 Ca 0.13 -1.15 -0.13 0.00 -0.22 0.00 0.00 54.13 52.77 1g3g s LEU 111 Cb -0.10 -1.37 0.11 0.00 0.50 0.00 0.00 46.19 45.32 1g3g s LEU 111 CO 0.05 -0.17 0.71 0.59 -1.32 0.00 0.00 176.35 176.21 1g3g n ASN 112 N 4.57 -2.70 0.00 3.68 3.02 -0.19 0.38 115.26 124.02 1g3g n ASN 112 Ca -0.14 -0.98 0.00 0.00 -0.03 0.00 0.00 54.58 53.43 1g3g n ASN 112 Cb 0.44 -2.99 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 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 -1.60 0.81 3.05 7.41 0.00 -1.26 -5.00 105.19 108.60 1g3g n GLY 113 Ca -0.03 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 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 -0.11 1.63 0.23 1.61 -0.44 0.16 -5.09 119.66 117.65 1g3g s GLN 114 Ca 0.00 -1.86 -0.29 0.00 -2.50 0.00 0.00 55.36 50.71 1g3g s GLN 114 Cb 0.00 -3.31 -0.16 0.00 -1.64 0.00 0.00 33.01 27.90 1g3g s GLN 114 CO 0.00 -0.97 0.80 1.17 0.50 0.00 0.00 175.29 176.78 1g3g n LYS 115 N 4.35 0.66 -4.60 1.67 4.81 -1.26 -1.48 118.16 122.31 1g3g n LYS 115 Ca 0.02 0.23 -0.28 0.00 -0.87 0.00 0.00 58.31 57.41 1g3g n LYS 115 Cb 0.42 -1.45 -0.08 0.00 0.02 0.00 0.00 35.03 33.95 1g3g n LYS 115 CO 0.00 0.00 0.00 0.14 1.17 0.00 0.00 177.40 178.71 1g3g s VAL 116 N -0.92 0.72 0.15 3.15 -7.23 -0.21 -4.79 120.40 111.27 1g3g s VAL 116 Ca 0.63 -2.00 -0.25 0.00 -1.81 0.00 0.00 61.98 58.55 1g3g s VAL 116 Cb -0.84 -2.25 -0.08 0.00 0.56 0.00 0.00 36.38 33.78 1g3g s VAL 116 CO 0.57 0.00 0.78 -1.61 -0.31 0.00 0.00 175.10 174.54 1g3g s GLU 117 N -3.74 4.57 1.16 4.82 2.02 -1.26 -4.50 118.70 121.76 1g3g s GLU 117 Ca 0.17 1.16 -0.13 0.00 0.02 0.00 0.00 54.97 56.19 1g3g s GLU 117 Cb 0.02 -3.28 0.28 0.00 0.10 0.00 0.00 34.13 31.25 1g3g s GLU 117 CO 0.11 0.52 1.03 0.21 0.02 0.00 0.00 175.26 177.15 1g3g s LYS 118 N -0.96 -0.86 -0.79 1.61 2.20 -1.26 -3.09 119.74 116.59 1g3g s LYS 118 Ca 0.36 0.80 -0.09 0.00 -0.36 0.00 0.00 55.97 56.69 1g3g s LYS 118 Cb -0.23 -1.56 0.09 0.00 -1.51 0.00 0.00 37.83 34.62 1g3g s LYS 118 CO 0.26 -3.67 0.22 0.27 -0.36 0.00 0.00 175.35 172.07 1g3g n ASN 119 N -4.88 -0.62 -4.25 1.43 0.23 0.13 -4.83 115.26 102.48 1g3g n ASN 119 Ca 0.03 -0.54 -0.37 0.00 -0.53 0.00 0.00 54.58 53.17 1g3g n ASN 119 Cb 0.55 -0.69 -0.13 0.00 -2.08 0.00 0.00 39.78 37.43 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 -2.20 5.06 0.25 0.53 1.04 -1.18 -4.92 113.70 112.28 1g3g s SER 120 Ca 0.31 -1.06 -0.30 0.00 0.48 0.00 0.00 55.95 55.38 1g3g s SER 120 Cb -0.18 -1.81 -0.11 0.00 0.10 0.00 0.00 66.02 64.02 1g3g s SER 120 CO 0.44 -0.26 1.54 0.20 0.98 0.00 0.00 173.24 176.14 1g3g s ASN 121 N 1.38 6.51 0.05 7.02 -0.87 -1.25 -3.57 114.94 124.21 1g3g s ASN 121 Ca -0.02 2.78 0.05 0.00 -1.57 0.00 0.00 52.86 54.11 1g3g s ASN 121 Cb -0.19 -2.62 -0.02 0.00 -0.02 0.00 0.00 41.25 38.40 1g3g s ASN 121 CO 0.01 -0.82 -0.15 -1.10 -2.57 0.00 0.00 177.10 172.47 1g3g s GLN 122 N -0.03 0.94 -0.29 -0.60 -1.52 0.51 -4.81 119.66 113.86 1g3g s GLN 122 Ca 0.64 -0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 52.92 1g3g s GLN 122 Cb -0.45 -0.98 -0.01 0.00 -0.22 0.00 0.00 33.01 31.35 1g3g s GLN 122 CO 0.42 0.24 1.48 -1.17 -0.25 0.00 0.00 175.29 176.01 1g3g s LEU 123 N -1.34 3.80 0.78 2.90 0.20 -1.26 0.19 118.68 123.95 1g3g s LEU 123 Ca 0.01 1.31 -0.16 0.00 0.69 0.00 0.00 54.13 55.98 1g3g s LEU 123 Cb -0.09 -3.54 -0.09 0.00 -0.43 0.00 0.00 46.19 42.05 1g3g s LEU 123 CO 0.02 -1.26 -0.02 0.00 -0.29 0.00 0.00 176.35 174.79 1g3g n LEU 124 N 8.37 -2.32 -4.27 -0.68 -0.00 -1.16 -4.90 117.00 112.05 1g3g n LEU 124 Ca 0.17 0.46 -0.20 0.00 -0.00 0.00 0.00 56.01 56.44 1g3g n LEU 124 Cb 0.46 -1.00 -0.11 0.00 -0.00 0.00 0.00 43.42 42.77 1g3g n LEU 124 CO 0.65 -4.41 -0.47 -0.44 -0.00 0.00 0.00 177.39 172.72 1g3g s SER 125 N -1.29 2.26 -0.26 1.45 0.01 -1.26 -5.04 113.70 109.57 1g3g s SER 125 Ca 0.55 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1g3g s SER 125 Cb -0.32 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.79 1g3g s SER 125 CO 0.68 -0.07 1.58 -1.58 0.41 0.00 0.00 173.24 174.27 1g3g s GLN 126 N -2.45 3.73 -1.03 12.44 2.00 -1.26 -2.25 119.66 130.84 1g3g s GLN 126 Ca 0.09 1.51 0.00 0.00 -2.00 0.00 0.00 55.36 54.96 1g3g s GLN 126 Cb -0.07 -4.04 0.00 0.00 0.80 0.00 0.00 33.01 29.71 1g3g s GLN 126 CO 0.04 -1.37 0.00 0.41 -0.50 0.00 0.00 175.29 173.87 1g3g n GLY 127 N 4.76 0.18 3.64 2.59 0.00 -1.24 -4.98 105.19 110.13 1g3g n GLY 127 Ca 0.19 -0.43 -0.31 0.00 0.00 0.00 0.00 46.02 45.46 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 -0.11 0.08 -3.76 1.61 2.03 -0.96 -4.67 116.55 110.76 1g3g n ASP 128 Ca -0.13 0.42 -0.13 0.00 0.52 0.00 0.00 54.79 55.48 1g3g n ASP 128 Cb 0.56 -1.45 -0.12 0.00 -0.72 0.00 0.00 41.12 39.39 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 -4.45 0.24 -0.16 -0.67 2.12 -1.26 -0.15 118.70 114.37 1g3g s GLU 129 Ca 0.66 0.42 -0.04 0.00 0.36 0.00 0.00 54.97 56.37 1g3g s GLU 129 Cb -0.23 0.01 -0.03 0.00 0.26 0.00 0.00 34.13 34.14 1g3g s GLU 129 CO 0.59 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.61 1g3g s ILE 130 N 0.65 3.94 -0.05 -3.70 1.09 0.20 -1.02 121.20 122.31 1g3g s ILE 130 Ca -0.04 -0.34 -0.03 0.00 -1.10 0.00 0.00 60.65 59.14 1g3g s ILE 130 Cb -0.06 -2.74 -0.04 0.00 -1.06 0.00 0.00 42.46 38.57 1g3g s ILE 130 CO -0.04 0.48 0.10 -0.89 -0.10 0.00 0.00 174.94 174.50 1g3g s THR 131 N 0.45 5.01 0.05 2.92 2.01 0.35 0.17 115.64 126.59 1g3g s THR 131 Ca -0.03 -0.16 -0.02 0.00 0.31 0.00 0.00 61.69 61.78 1g3g s THR 131 Cb -0.14 -3.24 -0.03 0.00 0.01 0.00 0.00 72.50 69.10 1g3g s THR 131 CO 0.03 0.46 0.01 0.68 -0.69 0.00 0.00 174.62 175.10 1g3g s VAL 132 N -1.12 0.19 -0.74 3.82 -7.23 0.49 0.19 120.40 116.00 1g3g s VAL 132 Ca 0.20 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1g3g s VAL 132 Cb -0.12 -1.28 0.00 0.00 0.56 0.00 0.00 36.38 35.54 1g3g s VAL 132 CO 0.10 -0.86 0.63 0.61 -0.31 0.00 0.00 175.10 175.27 1g3g n GLY 133 N 0.34 0.06 3.84 2.32 0.00 -1.26 0.07 105.19 110.56 1g3g n GLY 133 Ca -0.16 -0.15 -0.32 0.00 0.00 0.00 0.00 46.02 45.39 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 -3.19 4.44 0.00 1.61 1.01 -1.26 -3.76 120.40 119.25 1g3g s VAL 134 Ca 0.20 1.19 0.00 0.00 0.00 0.00 0.00 61.98 63.37 1g3g s VAL 134 Cb -0.09 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.61 1g3g s VAL 134 CO 0.41 -0.65 0.00 0.61 0.00 0.00 0.00 175.10 175.48 1g3g n GLY 135 N -1.46 3.00 3.09 4.51 0.00 -1.26 -5.03 105.19 108.04 1g3g n GLY 135 Ca 0.07 -0.39 -0.26 0.00 0.00 0.00 0.00 46.02 45.44 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 -5.02 120.40 118.52 1g3g s VAL 136 Ca 0.00 -0.64 0.19 0.00 0.00 0.00 0.00 61.98 61.53 1g3g s VAL 136 Cb 0.00 -1.20 0.39 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 6.64 0.36 -0.35 2.72 4.57 -1.99 0.41 114.58 126.94 1g3g h GLU 137 Ca -0.30 -0.02 0.00 0.00 -1.18 0.00 0.00 59.36 57.86 1g3g h GLU 137 Cb 1.19 -0.08 0.00 0.00 -0.16 0.00 0.00 28.75 29.70 1g3g h GLU 137 CO 0.48 0.24 0.00 0.45 -1.18 0.00 0.00 179.01 178.99 1g3g n SER 138 N -4.51 2.61 -0.93 1.04 2.88 -1.26 -4.16 113.62 109.28 1g3g n SER 138 Ca 0.20 -1.90 0.05 0.00 -1.33 0.00 0.00 58.87 55.89 1g3g n SER 138 Cb 0.75 -0.23 0.14 0.00 -0.75 0.00 0.00 64.21 64.12 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 0.93 1.50 -4.68 -3.46 -0.08 0.14 -5.04 116.55 105.86 1g3g n ASP 139 Ca 0.18 -3.25 -0.34 0.00 -1.51 0.00 0.00 54.79 49.87 1g3g n ASP 139 Cb 0.45 -0.45 -0.09 0.00 2.34 0.00 0.00 41.12 43.37 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 0.12 0.00 0.00 177.20 176.69 1g3g s ILE 140 N -2.15 4.24 -0.07 5.18 1.01 -1.12 -4.45 121.20 123.83 1g3g s ILE 140 Ca 0.37 -0.33 0.04 0.00 0.00 0.00 0.00 60.65 60.72 1g3g s ILE 140 Cb 0.38 -2.80 -0.01 0.00 0.01 0.00 0.00 42.46 40.03 1g3g s ILE 140 CO -0.10 0.56 -0.20 -0.76 0.00 0.00 0.00 174.94 174.44 1g3g s LEU 141 N -1.02 2.37 0.09 2.97 2.01 0.11 -4.98 118.68 120.24 1g3g s LEU 141 Ca 0.15 -0.40 0.10 0.00 0.01 0.00 0.00 54.13 53.99 1g3g s LEU 141 Cb -0.11 -1.47 -0.03 0.00 0.01 0.00 0.00 46.19 44.58 1g3g s LEU 141 CO 0.04 0.25 -0.26 -0.44 1.01 0.00 0.00 176.35 176.95 1g3g s SER 142 N -0.16 3.15 0.08 2.29 0.01 -1.26 0.18 113.70 117.99 1g3g s SER 142 Ca -0.02 -0.67 0.09 0.00 1.31 0.00 0.00 55.95 56.66 1g3g s SER 142 Cb -0.14 -0.24 -0.03 0.00 0.21 0.00 0.00 66.02 65.82 1g3g s SER 142 CO 0.04 0.20 -0.23 -0.76 0.41 0.00 0.00 173.24 172.90 1g3g s LEU 143 N -1.66 2.24 -0.01 2.44 1.02 0.44 -3.90 118.68 119.25 1g3g s LEU 143 Ca 0.12 -0.63 0.03 0.00 0.02 0.00 0.00 54.13 53.67 1g3g s LEU 143 Cb -0.10 -1.06 -0.01 0.00 0.02 0.00 0.00 46.19 45.04 1g3g s LEU 143 CO 0.04 0.15 -0.11 -0.69 0.02 0.00 0.00 176.35 175.77 1g3g s VAL 144 N -0.96 0.85 -0.04 -1.59 1.01 -0.96 0.60 120.40 119.30 1g3g s VAL 144 Ca 0.09 -0.48 0.04 0.00 0.00 0.00 0.00 61.98 61.64 1g3g s VAL 144 Cb -0.10 -0.71 -0.02 0.00 0.00 0.00 0.00 36.38 35.55 1g3g s VAL 144 CO 0.03 0.22 -0.17 -0.51 0.00 0.00 0.00 175.10 174.68 1g3g s ILE 145 N -0.28 2.85 -0.32 2.22 1.10 0.79 0.16 121.20 127.71 1g3g s ILE 145 Ca 0.04 -0.81 0.01 0.00 -0.51 0.00 0.00 60.65 59.38 1g3g s ILE 145 Cb -0.04 -2.09 0.08 0.00 0.15 0.00 0.00 42.46 40.55 1g3g s ILE 145 CO -0.00 0.59 0.02 0.12 -2.11 0.00 0.00 174.94 173.56 1g3g s PHE 146 N -0.69 3.48 -0.18 3.50 2.19 0.48 -3.37 117.98 123.38 1g3g s PHE 146 Ca 0.11 -2.45 -0.11 0.00 0.33 0.00 0.00 56.93 54.81 1g3g s PHE 146 Cb -0.11 -2.52 -0.05 0.00 -1.31 0.00 0.00 43.02 39.04 1g3g s PHE 146 CO 0.00 -0.90 0.17 0.42 1.83 0.00 0.00 175.22 176.75 1g3g s ILE 147 N 1.08 5.38 -0.03 3.12 1.09 -1.26 0.18 121.20 130.76 1g3g s ILE 147 Ca 0.01 0.29 -0.20 0.00 -1.10 0.00 0.00 60.65 59.65 1g3g s ILE 147 Cb -0.20 -3.51 -0.05 0.00 -1.06 0.00 0.00 42.46 37.64 1g3g s ILE 147 CO -0.05 0.44 0.59 0.54 -0.10 0.00 0.00 174.94 176.36 1g3g s ASN 148 N 0.31 6.92 0.58 3.58 2.20 -1.26 -4.86 114.94 122.42 1g3g s ASN 148 Ca 0.11 1.10 0.36 0.00 -0.94 0.00 0.00 52.86 53.49 1g3g s ASN 148 Cb -0.12 -2.36 1.63 0.00 -2.00 0.00 0.00 41.25 38.41 1g3g s ASN 148 CO -0.00 0.05 2.08 -2.24 -2.94 0.00 0.00 177.10 174.05 1g3g h ASP 149 N 5.98 0.00 -0.75 3.54 3.04 -1.96 -2.93 116.42 123.34 1g3g h ASP 149 Ca -0.44 0.00 0.05 0.00 -3.24 0.00 0.00 57.03 53.40 1g3g h ASP 149 Cb 1.20 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.43 1g3g h ASP 149 CO 0.71 0.00 0.45 0.11 -2.04 0.00 0.00 179.24 178.48 1g3g h LYS 150 N 0.00 0.82 -0.70 4.15 6.56 -1.92 -1.84 116.57 123.65 1g3g h LYS 150 Ca -0.00 -0.05 0.02 0.00 -1.06 0.00 0.00 60.65 59.56 1g3g h LYS 150 Cb 0.39 -0.19 -0.04 0.00 -0.57 0.00 0.00 32.23 31.82 1g3g h LYS 150 CO 0.00 0.54 0.45 0.35 -2.06 0.00 0.00 179.45 178.73 1g3g h PHE 151 N 0.85 0.84 -0.42 -1.35 3.04 -1.70 -1.72 116.94 116.47 1g3g h PHE 151 Ca 0.32 0.02 -0.00 0.00 3.98 0.00 0.00 57.97 62.29 1g3g h PHE 151 Cb 0.13 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.34 1g3g h PHE 151 CO -0.05 0.49 0.25 0.87 -2.02 0.00 0.00 178.31 177.85 1g3g h LYS 152 N 0.88 0.57 -0.69 1.11 1.57 -1.48 -2.22 116.57 116.31 1g3g h LYS 152 Ca 0.27 -0.05 -0.03 0.00 -1.87 0.00 0.00 60.65 58.97 1g3g h LYS 152 Cb -0.02 -0.12 -0.03 0.00 0.08 0.00 0.00 32.23 32.14 1g3g h LYS 152 CO -0.09 0.41 0.30 0.37 -0.57 0.00 0.00 179.45 179.86 1g3g h GLN 153 N 0.58 1.02 -0.44 3.15 4.15 -0.74 -1.16 115.11 121.67 1g3g h GLN 153 Ca 0.15 -0.17 0.00 0.00 0.77 0.00 0.00 58.65 59.40 1g3g h GLN 153 Cb -0.01 -0.17 -0.02 0.00 0.21 0.00 0.00 27.48 27.49 1g3g h GLN 153 CO -0.03 0.83 0.28 0.00 -1.93 0.00 0.00 178.83 177.98 1g3g h LEU 155 N 0.59 0.85 -0.89 0.00 -0.00 -1.31 -2.21 115.31 112.34 1g3g h LEU 155 Ca 0.16 -0.25 0.00 0.00 -0.00 0.00 0.00 57.88 57.79 1g3g h LEU 155 Cb -0.03 -0.23 -0.04 0.00 -0.00 0.00 0.00 40.66 40.36 1g3g h LEU 155 CO -0.03 0.88 0.57 -0.08 -0.00 0.00 0.00 178.44 179.78 1g3g h GLU 156 N 0.79 1.18 0.00 1.13 4.81 -0.92 0.41 114.58 121.98 1g3g h GLU 156 Ca 0.17 -0.09 -0.07 0.00 -0.13 0.00 0.00 59.36 59.24 1g3g h GLU 156 Cb 0.38 -0.26 -0.01 0.00 0.63 0.00 0.00 28.75 29.49 1g3g h GLU 156 CO 0.01 0.80 -0.35 0.37 -0.73 0.00 0.00 179.01 179.11 1g3g h GLN 157 N 1.21 0.00 -1.17 1.92 4.15 -1.03 -3.16 115.11 117.04 1g3g h GLN 157 Ca 0.32 0.00 -0.52 0.00 0.77 0.00 0.00 58.65 59.22 1g3g h GLN 157 Cb -0.11 0.00 -0.42 0.00 0.21 0.00 0.00 27.48 27.17 1g3g h GLN 157 CO -0.07 0.35 -0.84 0.09 -1.93 0.00 0.00 178.83 176.43 1g3g n ASN 158 N -3.96 4.12 -4.72 -0.69 3.02 -0.66 -5.07 115.26 107.30 1g3g n ASN 158 Ca -0.02 -3.48 -0.42 0.00 -0.03 0.00 0.00 54.58 50.64 1g3g n ASN 158 Cb 0.41 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.11 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.75 -2.62 0.00 0.00 177.26 173.89 1g3g s LYS 159 N -3.52 4.37 -0.01 3.52 2.20 0.13 -4.88 119.74 121.56 1g3g s LYS 159 Ca 0.45 2.02 -0.30 0.00 -0.36 0.00 0.00 55.97 57.77 1g3g s LYS 159 Cb 0.41 -3.24 -0.06 0.00 -1.51 0.00 0.00 37.83 33.42 1g3g s LYS 159 CO -0.09 -0.33 1.65 0.08 -0.36 0.00 0.00 175.35 176.30 1g3g s VAL 160 N 0.71 3.41 -0.13 4.02 1.01 -1.26 -4.87 120.40 123.29 1g3g s VAL 160 Ca 0.61 0.64 0.11 0.00 0.00 0.00 0.00 61.98 63.33 1g3g s VAL 160 Cb -0.36 -3.41 -0.16 0.00 0.00 0.00 0.00 36.38 32.46 1g3g s VAL 160 CO 0.33 -0.04 0.04 0.47 0.00 0.00 0.00 175.10 175.90 1g3g n ASP 161 N 6.56 1.87 -3.54 3.32 8.00 -1.26 -5.05 116.55 126.44 1g3g n ASP 161 Ca 0.17 -0.00 -0.14 0.00 0.71 0.00 0.00 54.79 55.52 1g3g n ASP 161 Cb 0.42 0.77 -0.05 0.00 -0.02 0.00 0.00 41.12 42.23 1g3g n ASP 161 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1g3g s ARG 162 N -2.31 0.84 -0.18 -1.24 1.04 -1.26 -5.16 118.95 110.68 1g3g s ARG 162 Ca -0.07 0.17 -0.09 0.00 -1.04 0.00 0.00 55.73 54.70 1g3g s ARG 162 Cb 0.04 0.40 -0.05 0.00 -2.04 0.00 0.00 34.95 33.30 1g3g s ARG 162 CO 0.52 -0.27 0.12 0.42 -0.04 0.00 0.00 175.30 176.05 1g3g s ILE 163 N -1.29 5.30 0.00 4.99 1.09 -1.26 -5.24 121.20 124.79 1g3g s ILE 163 Ca -0.06 0.15 0.00 0.00 -1.10 0.00 0.00 60.65 59.64 1g3g s ILE 163 Cb -0.00 -3.39 0.00 0.00 -1.06 0.00 0.00 42.46 38.01 1g3g s ILE 163 CO 0.05 0.48 0.00 0.54 -0.10 0.00 0.00 174.94 175.91