#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 -5.98 0.00 1.61 2.13 -1.26 -4.68 120.64 112.46 1g3g n GLU 2 Ca 0.00 0.87 0.00 0.00 0.66 0.00 0.00 57.16 58.69 1g3g n GLU 2 Cb 0.00 -5.80 0.00 0.00 0.27 0.00 0.00 31.44 25.91 1g3g n GLU 2 CO 0.00 0.00 0.00 -1.71 -0.41 0.00 0.00 177.13 175.01 1g3g n ASN 3 N -2.70 0.00 -3.46 4.31 4.05 -1.26 -5.17 115.26 111.02 1g3g n ASN 3 Ca -0.06 0.00 -0.11 0.00 0.45 0.00 0.00 54.58 54.85 1g3g n ASN 3 Cb 0.60 0.23 -0.03 0.00 1.23 0.00 0.00 39.78 41.81 1g3g n ASN 3 CO 0.00 0.00 0.00 0.27 -3.05 0.00 0.00 177.26 174.48 1g3g s ILE 4 N -0.63 0.00 -0.17 -1.44 -4.36 -1.26 -5.15 121.20 108.19 1g3g s ILE 4 Ca 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 60.65 60.36 1g3g s ILE 4 Cb 0.00 -1.00 0.05 0.00 1.25 0.00 0.00 42.46 42.76 1g3g s ILE 4 CO 0.00 0.00 0.03 -0.89 0.24 0.00 0.00 174.94 174.32 1g3g s THR 5 N -3.16 0.43 -0.46 8.37 2.01 -1.26 -4.89 115.64 116.68 1g3g s THR 5 Ca 0.01 -0.38 0.06 0.00 0.31 0.00 0.00 61.69 61.69 1g3g s THR 5 Cb -0.01 -0.89 0.22 0.00 0.01 0.00 0.00 72.50 71.83 1g3g s THR 5 CO -0.09 -0.12 0.68 0.00 -0.69 0.00 0.00 174.62 174.40 1g3g n GLN 6 N 5.09 0.61 0.00 4.92 1.13 -1.26 -5.15 117.38 122.73 1g3g n GLN 6 Ca -0.08 -2.36 0.00 0.00 -1.94 0.00 0.00 57.00 52.62 1g3g n GLN 6 Cb 0.48 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.39 1g3g n GLN 6 CO 0.00 0.00 0.00 -0.35 -1.44 0.00 0.00 177.06 175.27 1g3g n PRO 7 N 2.09 -0.25 -1.31 -1.09 -0.04 -1.26 -4.94 135.00 128.20 1g3g n PRO 7 Ca 0.17 0.00 0.13 0.00 -0.04 0.00 0.00 63.50 63.76 1g3g n PRO 7 Cb 0.57 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.95 1g3g n PRO 7 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1g3g n THR 8 N -1.73 -1.11 -3.05 0.52 -2.24 -1.26 -4.94 114.28 100.47 1g3g n THR 8 Ca 0.00 0.93 -0.09 0.00 -2.27 0.00 0.00 64.05 62.62 1g3g n THR 8 Cb 0.00 -1.42 0.04 0.00 -2.10 0.00 0.00 70.33 66.85 1g3g n THR 8 CO 0.00 0.00 0.00 1.67 -0.57 0.00 0.00 175.07 176.17 1g3g n GLN 9 N -3.87 -1.78 -1.44 -0.78 7.27 -1.26 -4.96 117.38 110.55 1g3g n GLN 9 Ca -0.07 1.01 -0.05 0.00 0.07 0.00 0.00 57.00 57.96 1g3g n GLN 9 Cb 0.59 -5.48 -0.01 0.00 2.41 0.00 0.00 30.24 27.75 1g3g n GLN 9 CO 0.00 0.00 0.00 1.04 0.07 0.00 0.00 177.06 178.17 1g3g n GLN 10 N -2.62 0.38 -0.83 3.69 6.02 -1.26 -5.14 117.38 117.61 1g3g n GLN 10 Ca -0.04 -0.99 -0.32 0.00 -0.01 0.00 0.00 57.00 55.64 1g3g n GLN 10 Cb 0.57 0.47 0.15 0.00 1.02 0.00 0.00 30.24 32.46 1g3g n GLN 10 CO 0.00 0.00 0.00 0.43 -1.01 0.00 0.00 177.06 176.48 1g3g n SER 11 N -0.43 0.41 -4.77 1.08 7.64 -1.26 -4.94 113.62 111.35 1g3g n SER 11 Ca -0.23 0.47 -0.39 0.00 1.01 0.00 0.00 58.87 59.73 1g3g n SER 11 Cb 0.72 -1.47 -0.02 0.00 -1.01 0.00 0.00 64.21 62.44 1g3g n SER 11 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1g3g s THR 12 N -2.44 3.03 0.86 0.44 2.01 -1.26 -4.99 115.64 113.29 1g3g s THR 12 Ca 0.69 0.89 -0.11 0.00 0.31 0.00 0.00 61.69 63.47 1g3g s THR 12 Cb -0.25 -3.51 0.12 0.00 0.01 0.00 0.00 72.50 68.87 1g3g s THR 12 CO 0.56 0.10 1.16 -1.58 -0.69 0.00 0.00 174.62 174.17 1g3g s GLN 13 N -2.24 1.35 0.35 4.92 2.00 -1.26 -5.05 119.66 119.73 1g3g s GLN 13 Ca 0.56 1.56 0.03 0.00 -2.00 0.00 0.00 55.36 55.52 1g3g s GLN 13 Cb -0.33 -1.76 -0.04 0.00 0.80 0.00 0.00 33.01 31.68 1g3g s GLN 13 CO 0.41 -2.39 0.12 0.00 -0.50 0.00 0.00 175.29 172.94 1g3g s ALA 14 N -2.54 2.45 0.00 1.58 0.00 -1.26 -5.05 121.76 116.94 1g3g s ALA 14 Ca 0.68 -1.60 0.00 0.00 0.00 0.00 0.00 51.96 51.04 1g3g s ALA 14 Cb -0.24 0.88 0.00 0.00 0.00 0.00 0.00 23.12 23.76 1g3g s ALA 14 CO 0.55 -0.39 0.00 -2.37 0.00 0.00 0.00 175.76 173.55 1g3g n THR 15 N -0.74 0.00 -0.06 0.00 5.66 -1.26 -4.92 114.28 112.96 1g3g n THR 15 Ca -0.03 0.00 -0.14 0.00 -3.05 0.00 0.00 64.05 60.83 1g3g n THR 15 Cb 0.65 0.00 -0.03 0.00 -1.55 0.00 0.00 70.33 69.40 1g3g n THR 15 CO 0.00 0.00 0.00 1.56 -3.05 0.00 0.00 175.07 173.58 1g3g h GLN 16 N 0.00 0.81 -0.22 1.09 7.50 -2.00 -2.78 115.11 119.51 1g3g h GLN 16 Ca 0.00 -0.54 -0.04 0.00 0.50 0.00 0.00 58.65 58.57 1g3g h GLN 16 Cb 0.00 0.07 -0.01 0.00 0.05 0.00 0.00 27.48 27.60 1g3g h GLN 16 CO 0.00 1.17 -0.00 0.00 -1.50 0.00 0.00 178.83 178.49 1g3g h ARG 17 N 0.61 0.40 -0.64 1.46 3.08 -2.00 -2.93 114.38 114.35 1g3g h ARG 17 Ca 0.00 -0.13 0.04 0.00 0.07 0.00 0.00 59.98 59.96 1g3g h ARG 17 Cb 1.19 -0.03 -0.04 0.00 0.08 0.00 0.00 29.97 31.17 1g3g h ARG 17 CO 0.13 0.59 0.42 0.74 -1.07 0.00 0.00 179.97 180.78 1g3g h PHE 18 N 0.16 0.71 -0.78 3.04 0.04 -1.91 -1.46 116.94 116.74 1g3g h PHE 18 Ca 0.06 0.02 0.01 0.00 2.80 0.00 0.00 57.97 60.86 1g3g h PHE 18 Cb 0.41 -0.24 -0.04 0.00 2.20 0.00 0.00 35.95 38.29 1g3g h PHE 18 CO 0.04 0.40 0.51 -0.07 -0.60 0.00 0.00 178.31 178.59 1g3g h LEU 19 N 0.73 0.90 -0.75 1.54 3.38 -1.31 -2.12 115.31 117.68 1g3g h LEU 19 Ca 0.26 -0.03 -0.08 0.00 0.09 0.00 0.00 57.88 58.13 1g3g h LEU 19 Cb 0.13 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.63 1g3g h LEU 19 CO -0.07 0.65 0.09 0.40 0.09 0.00 0.00 178.44 179.60 1g3g h ILE 20 N 1.06 1.26 -0.82 1.22 1.08 -1.19 -2.75 117.51 117.37 1g3g h ILE 20 Ca 0.28 -1.02 0.06 0.00 -0.39 0.00 0.00 64.86 63.79 1g3g h ILE 20 Cb -0.12 0.68 -0.05 0.00 -3.07 0.00 0.00 36.82 34.26 1g3g h ILE 20 CO -0.06 0.38 0.53 -0.33 -0.69 0.00 0.00 178.15 177.98 1g3g h GLU 21 N 0.97 0.89 -0.62 2.37 3.07 -1.22 -1.87 114.58 118.17 1g3g h GLU 21 Ca 0.19 -0.05 -0.00 0.00 -0.50 0.00 0.00 59.36 59.00 1g3g h GLU 21 Cb 0.44 -0.20 -0.03 0.00 -0.84 0.00 0.00 28.75 28.12 1g3g h GLU 21 CO 0.01 0.59 0.38 0.87 -1.40 0.00 0.00 179.01 179.47 1g3g h LYS 22 N 0.91 0.84 -0.22 2.33 6.56 -1.32 0.14 116.57 125.82 1g3g h LYS 22 Ca 0.35 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.87 1g3g h LYS 22 Cb 0.20 -0.18 -0.01 0.00 -0.57 0.00 0.00 32.23 31.67 1g3g h LYS 22 CO -0.12 0.59 0.13 0.35 -2.06 0.00 0.00 179.45 178.34 1g3g h PHE 23 N 0.85 0.30 -0.32 -1.35 3.57 -1.33 -3.01 116.94 115.64 1g3g h PHE 23 Ca 0.22 -0.00 -0.04 0.00 3.53 0.00 0.00 57.97 61.68 1g3g h PHE 23 Cb -0.04 -0.10 -0.01 0.00 2.79 0.00 0.00 35.95 38.59 1g3g h PHE 23 CO -0.02 0.24 0.05 0.77 -2.23 0.00 0.00 178.31 177.11 1g3g h SER 24 N 0.27 0.51 -4.34 0.41 0.02 -1.22 -3.44 113.55 105.77 1g3g h SER 24 Ca 0.08 -0.26 -0.51 0.00 -0.84 0.00 0.00 61.79 60.26 1g3g h SER 24 Cb 0.03 -0.14 0.06 0.00 0.14 0.00 0.00 62.40 62.50 1g3g h SER 24 CO -0.01 0.65 0.40 -1.58 -1.14 0.00 0.00 176.83 175.15 1g3g s GLN 25 N -5.16 3.48 0.35 3.45 0.74 0.47 -5.03 119.66 117.95 1g3g s GLN 25 Ca -0.13 0.67 -0.27 0.00 0.05 0.00 0.00 55.36 55.68 1g3g s GLN 25 Cb 0.09 -2.09 -0.09 0.00 1.10 0.00 0.00 33.01 32.02 1g3g s GLN 25 CO 0.76 -0.62 1.10 -1.21 -0.55 0.00 0.00 175.29 174.76 1g3g s GLU 26 N -5.19 4.36 -0.32 1.67 2.02 -1.26 -4.79 118.70 115.19 1g3g s GLU 26 Ca 0.55 1.71 -0.14 0.00 0.02 0.00 0.00 54.97 57.11 1g3g s GLU 26 Cb -0.11 -2.86 -0.02 0.00 0.10 0.00 0.00 34.13 31.24 1g3g s GLU 26 CO 0.53 -0.02 0.31 -0.65 0.02 0.00 0.00 175.26 175.45 1g3g s GLN 27 N -1.98 3.68 0.20 1.61 -0.21 -1.26 -5.06 119.66 116.63 1g3g s GLN 27 Ca 0.52 -0.39 -0.28 0.00 0.02 0.00 0.00 55.36 55.23 1g3g s GLN 27 Cb -0.28 -3.76 -0.08 0.00 1.00 0.00 0.00 33.01 29.88 1g3g s GLN 27 CO 0.36 -0.42 0.86 0.42 -2.12 0.00 0.00 175.29 174.39 1g3g s ILE 28 N 1.92 4.24 -0.41 1.08 -1.09 -1.26 -5.03 121.20 120.65 1g3g s ILE 28 Ca 0.10 1.90 0.04 0.00 -2.23 0.00 0.00 60.65 60.46 1g3g s ILE 28 Cb -0.17 -4.24 0.17 0.00 -1.58 0.00 0.00 42.46 36.65 1g3g s ILE 28 CO 0.11 0.50 0.34 -0.83 -1.23 0.00 0.00 174.94 173.83 1g3g s GLY 29 N -1.11 1.09 0.12 6.18 0.00 -1.26 -4.92 107.32 107.41 1g3g s GLY 29 Ca 0.39 -2.34 0.16 0.00 0.00 0.00 0.00 44.72 42.93 1g3g s GLY 29 CO 0.29 2.17 0.98 -2.09 0.00 0.00 0.00 173.10 174.45 1g3g h GLU 30 N 5.75 0.00 0.00 2.90 4.57 -1.95 -3.33 114.58 122.51 1g3g h GLU 30 Ca 0.24 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.42 1g3g h GLU 30 Cb 0.92 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.51 1g3g h GLU 30 CO 0.35 0.35 -0.90 0.09 -1.18 0.00 0.00 179.01 177.72 1g3g n ASN 31 N -2.97 1.15 -4.55 1.04 4.13 -1.26 -4.21 115.26 108.58 1g3g n ASN 31 Ca -0.06 -0.50 -0.34 0.00 1.68 0.00 0.00 54.58 55.35 1g3g n ASN 31 Cb 0.81 1.19 -0.04 0.00 -1.54 0.00 0.00 39.78 40.21 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 1g3g s ILE 32 N -2.36 3.43 0.10 2.41 -1.09 -1.25 -2.72 121.20 119.72 1g3g s ILE 32 Ca 0.01 -0.06 -0.19 0.00 -2.23 0.00 0.00 60.65 58.18 1g3g s ILE 32 Cb 0.08 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1g3g s ILE 32 CO 0.49 -1.01 0.96 0.55 -1.23 0.00 0.00 174.94 174.69 1g3g n VAL 33 N 7.43 -0.42 -3.63 2.92 3.14 -1.12 -4.68 118.33 121.97 1g3g n VAL 33 Ca 0.28 1.51 -0.07 0.00 -2.96 0.00 0.00 64.34 63.09 1g3g n VAL 33 Cb 0.50 -1.86 -0.02 0.00 -1.06 0.00 0.00 33.84 31.40 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 -3.44 1.91 -0.12 0.00 3.52 0.13 0.14 118.95 121.10 1g3g s ARG 35 Ca 0.08 -0.43 -0.16 0.00 -0.13 0.00 0.00 55.73 55.09 1g3g s ARG 35 Cb -0.02 -1.77 -0.05 0.00 -1.56 0.00 0.00 34.95 31.56 1g3g s ARG 35 CO -0.03 -0.17 0.39 0.08 -0.81 0.00 0.00 175.30 174.76 1g3g s VAL 36 N 1.34 5.21 -0.27 7.11 1.01 0.71 0.13 120.40 135.64 1g3g s VAL 36 Ca -0.00 0.77 0.03 0.00 0.00 0.00 0.00 61.98 62.78 1g3g s VAL 36 Cb -0.14 -3.73 0.07 0.00 0.00 0.00 0.00 36.38 32.59 1g3g s VAL 36 CO -0.06 0.39 -0.07 -0.63 0.00 0.00 0.00 175.10 174.73 1g3g s ILE 37 N 0.28 2.05 -0.48 2.22 1.01 0.56 0.38 121.20 127.22 1g3g s ILE 37 Ca 0.22 -1.67 -0.16 0.00 0.00 0.00 0.00 60.65 59.04 1g3g s ILE 37 Cb -0.14 -2.25 0.07 0.00 0.01 0.00 0.00 42.46 40.14 1g3g s ILE 37 CO 0.08 -0.14 0.44 0.00 0.00 0.00 0.00 174.94 175.33 1g3g n THR 39 N 5.30 0.05 0.27 0.00 5.66 -1.26 -4.37 114.28 119.94 1g3g n THR 39 Ca -0.11 -0.17 0.18 0.00 -3.05 0.00 0.00 64.05 60.90 1g3g n THR 39 Cb 0.44 0.20 0.90 0.00 -1.55 0.00 0.00 70.33 70.32 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 0.17 0.00 1.09 1.35 -1.90 -3.44 112.91 110.18 1g3g h THR 40 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.84 1g3g h THR 40 Cb 0.45 0.78 0.00 0.00 -1.73 0.00 0.00 68.15 67.65 1g3g h THR 40 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1g3g n GLY 41 N -1.27 0.46 1.94 5.82 0.00 -1.26 -4.92 105.19 105.95 1g3g n GLY 41 Ca -0.00 -0.73 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 -1.06 0.00 0.00 0.00 173.32 172.26 1g3g n GLN 42 N 0.00 0.00 -4.21 1.61 6.02 -1.26 -5.08 117.38 114.46 1g3g n GLN 42 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 57.00 56.82 1g3g n GLN 42 Cb 0.00 0.00 -0.15 0.00 1.02 0.00 0.00 30.24 31.11 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 -0.97 0.49 0.58 5.09 1.01 -1.26 -5.09 121.20 121.06 1g3g s ILE 43 Ca 0.00 -0.25 -0.20 0.00 0.00 0.00 0.00 60.65 60.19 1g3g s ILE 43 Cb 0.00 -0.42 -0.04 0.00 0.01 0.00 0.00 42.46 42.01 1g3g s ILE 43 CO 0.00 0.15 1.31 -2.65 0.00 0.00 0.00 174.94 173.74 1g3g n PRO 44 N 3.01 1.43 -1.18 2.79 -0.02 -1.26 -3.73 135.00 136.04 1g3g n PRO 44 Ca -0.14 0.54 -0.43 0.00 -2.02 0.00 0.00 63.50 61.45 1g3g n PRO 44 Cb 0.57 -2.53 -0.04 0.00 -0.02 0.00 0.00 33.50 31.48 1g3g n PRO 44 CO 0.00 0.00 0.00 -0.89 1.98 0.00 0.00 175.50 176.59 1g3g n ILE 45 N -1.39 0.99 -4.71 4.25 5.41 -1.26 -4.69 119.36 117.96 1g3g n ILE 45 Ca 0.13 -0.25 -0.27 0.00 1.00 0.00 0.00 62.75 63.36 1g3g n ILE 45 Cb 0.46 0.00 -0.14 0.00 -0.71 0.00 0.00 39.64 39.25 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 -0.49 1.50 -0.23 0.38 3.00 0.16 -4.99 118.95 118.28 1g3g s ARG 46 Ca 0.61 -1.00 -0.05 0.00 -1.00 0.00 0.00 55.73 54.29 1g3g s ARG 46 Cb -0.87 -1.64 -0.01 0.00 0.00 0.00 0.00 34.95 32.43 1g3g s ARG 46 CO 0.46 0.42 -0.00 -0.51 0.00 0.00 0.00 175.30 175.67 1g3g s ASP 47 N -1.22 4.59 -0.11 -2.12 1.11 -1.26 -0.21 116.67 117.45 1g3g s ASP 47 Ca 0.09 -0.37 -0.09 0.00 0.18 0.00 0.00 52.55 52.36 1g3g s ASP 47 Cb -0.09 -1.80 -0.04 0.00 1.07 0.00 0.00 42.92 42.05 1g3g s ASP 47 CO 0.02 -0.04 0.20 -0.76 1.18 0.00 0.00 175.17 175.77 1g3g s LEU 48 N 1.52 4.37 0.12 1.23 1.43 0.37 -4.95 118.68 122.77 1g3g s LEU 48 Ca 0.06 0.53 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 1g3g s LEU 48 Cb -0.15 -2.19 -0.04 0.00 0.03 0.00 0.00 46.19 43.84 1g3g s LEU 48 CO -0.01 0.34 0.01 -0.44 0.23 0.00 0.00 176.35 176.48 1g3g s SER 49 N -0.73 0.74 0.16 2.29 0.01 -1.26 -1.33 113.70 113.58 1g3g s SER 49 Ca 0.16 -1.13 -0.00 0.00 1.31 0.00 0.00 55.95 56.29 1g3g s SER 49 Cb -0.13 0.19 -0.04 0.00 0.21 0.00 0.00 66.02 66.25 1g3g s SER 49 CO 0.05 -0.62 0.05 0.00 0.41 0.00 0.00 173.24 173.13 1g3g s ALA 50 N -3.84 1.09 -0.61 1.44 0.00 -1.10 -4.59 121.76 114.15 1g3g s ALA 50 Ca 0.19 -1.56 -0.20 0.00 0.00 0.00 0.00 51.96 50.39 1g3g s ALA 50 Cb 0.07 0.86 0.09 0.00 0.00 0.00 0.00 23.12 24.14 1g3g s ALA 50 CO -0.01 -0.46 0.79 -0.51 0.00 0.00 0.00 175.76 175.58 1g3g s ASP 51 N -3.11 6.19 0.45 0.00 1.11 -1.26 -4.62 116.67 115.42 1g3g s ASP 51 Ca 0.27 -1.23 0.15 0.00 0.18 0.00 0.00 52.55 51.92 1g3g s ASP 51 Cb 0.07 -2.34 1.02 0.00 1.07 0.00 0.00 42.92 42.74 1g3g s ASP 51 CO 0.04 -1.21 1.99 0.40 1.18 0.00 0.00 175.17 177.57 1g3g h ILE 52 N 5.94 1.10 -0.67 0.77 2.04 -1.97 -2.60 117.51 122.13 1g3g h ILE 52 Ca -0.29 -0.63 0.09 0.00 1.00 0.00 0.00 64.86 65.03 1g3g h ILE 52 Cb 1.08 1.34 -0.04 0.00 -0.74 0.00 0.00 36.82 38.46 1g3g h ILE 52 CO 1.12 0.18 0.44 -1.28 0.00 0.00 0.00 178.15 178.61 1g3g h SER 53 N 0.00 0.49 -0.34 1.72 0.87 -1.99 -0.34 113.55 113.95 1g3g h SER 53 Ca -0.00 0.01 -0.09 0.00 -1.23 0.00 0.00 61.79 60.48 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 0.02 0.30 -0.08 1.56 -0.53 0.00 0.00 176.83 178.10 1g3g h GLN 54 N 0.55 0.76 -0.11 2.24 4.20 -1.82 -2.54 115.11 118.40 1g3g h GLN 54 Ca 0.31 -0.24 -0.18 0.00 0.06 0.00 0.00 58.65 58.60 1g3g h GLN 54 Cb 0.48 -0.07 0.01 0.00 0.30 0.00 0.00 27.48 28.19 1g3g h GLN 54 CO -0.10 0.83 -0.64 0.28 -0.67 0.00 0.00 178.83 178.53 1g3g h VAL 55 N 0.70 1.34 0.00 -0.54 2.07 -1.22 0.36 116.25 118.96 1g3g h VAL 55 Ca 0.12 -1.92 -0.01 0.00 0.82 0.00 0.00 66.70 65.71 1g3g h VAL 55 Cb 0.55 2.17 -0.00 0.00 -1.52 0.00 0.00 31.29 32.48 1g3g h VAL 55 CO 0.03 0.59 -0.06 0.25 0.02 0.00 0.00 177.57 178.40 1g3g h LEU 56 N 0.26 0.00 0.00 2.57 6.46 -1.09 -2.86 115.31 120.65 1g3g h LEU 56 Ca -0.05 0.00 -0.37 0.00 -0.12 0.00 0.00 57.88 57.34 1g3g h LEU 56 Cb 1.28 0.00 -0.07 0.00 -0.73 0.00 0.00 40.66 41.14 1g3g h LEU 56 CO 0.13 0.06 -2.38 1.17 -0.62 0.00 0.00 178.44 176.80 1g3g n LYS 57 N -4.05 0.68 -3.77 1.25 3.00 -0.97 -4.86 118.16 109.45 1g3g n LYS 57 Ca -0.03 0.04 -0.24 0.00 -0.00 0.00 0.00 58.31 58.09 1g3g n LYS 57 Cb 0.14 -1.53 -0.17 0.00 0.00 0.00 0.00 35.03 33.47 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1g3g s GLU 58 N -2.50 0.65 0.08 1.64 2.02 0.13 -5.04 118.70 115.68 1g3g s GLU 58 Ca -0.16 -0.01 -0.31 0.00 0.02 0.00 0.00 54.97 54.51 1g3g s GLU 58 Cb 0.07 -1.23 -0.16 0.00 0.10 0.00 0.00 34.13 32.91 1g3g s GLU 58 CO 0.78 -0.37 1.62 0.87 0.02 0.00 0.00 175.26 178.18 1g3g h LYS 59 N 8.31 -0.75 -4.04 1.61 1.57 -1.79 -3.24 116.57 118.24 1g3g h LYS 59 Ca -0.19 0.05 -0.72 0.00 -1.87 0.00 0.00 60.65 57.92 1g3g h LYS 59 Cb 1.12 0.17 -0.08 0.00 0.08 0.00 0.00 32.23 33.52 1g3g h LYS 59 CO 0.28 -0.50 2.69 2.89 -0.57 0.00 0.00 179.45 184.24 1g3g n ARG 60 N -5.45 3.11 -0.30 3.15 1.85 -1.26 -4.43 116.66 113.34 1g3g n ARG 60 Ca -0.11 -2.96 0.00 0.00 -1.00 0.00 0.00 57.85 53.78 1g3g n ARG 60 Cb 0.35 -3.20 0.00 0.00 -1.05 0.00 0.00 32.46 28.56 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.13 -0.01 0.00 0.00 177.63 176.49 1g3g n SER 61 N 5.64 1.18 -0.67 2.89 3.41 -1.22 -4.89 113.62 119.96 1g3g n SER 61 Ca 0.48 -0.15 0.00 0.00 -0.26 0.00 0.00 58.87 58.94 1g3g n SER 61 Cb 0.39 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1g3g n SER 61 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1g3g n ILE 62 N 0.00 -2.96 -2.70 -1.33 2.08 -1.26 -4.11 119.36 109.09 1g3g n ILE 62 Ca 0.00 0.92 -0.06 0.00 0.56 0.00 0.00 62.75 64.18 1g3g n ILE 62 Cb 0.00 -1.97 0.09 0.00 -0.75 0.00 0.00 39.64 37.00 1g3g n ILE 62 CO 0.00 0.00 0.00 1.17 0.56 0.00 0.00 176.55 178.28 1g3g n LYS 63 N -0.07 0.48 -3.83 0.38 4.81 -1.25 -3.48 118.16 115.20 1g3g n LYS 63 Ca 0.00 -1.21 -0.25 0.00 -0.87 0.00 0.00 58.31 55.98 1g3g n LYS 63 Cb 0.00 -0.63 -0.17 0.00 0.02 0.00 0.00 35.03 34.25 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 1.17 0.00 0.00 177.40 178.78 1g3g s LYS 64 N 0.23 1.04 -0.07 1.64 2.20 -1.15 -5.05 119.74 118.57 1g3g s LYS 64 Ca 0.24 -0.13 -0.00 0.00 -0.36 0.00 0.00 55.97 55.72 1g3g s LYS 64 Cb 0.26 -1.39 -0.03 0.00 -1.51 0.00 0.00 37.83 35.16 1g3g s LYS 64 CO -0.14 -0.33 -0.03 0.54 -0.36 0.00 0.00 175.35 175.03 1g3g s VAL 65 N 1.83 4.02 -0.12 4.02 0.11 -1.26 -2.82 120.40 126.18 1g3g s VAL 65 Ca 0.04 -0.37 -0.07 0.00 -2.93 0.00 0.00 61.98 58.65 1g3g s VAL 65 Cb -0.13 -2.67 -0.04 0.00 -1.53 0.00 0.00 36.38 32.01 1g3g s VAL 65 CO -0.07 0.60 0.14 0.26 -3.33 0.00 0.00 175.10 172.70 1g3g s TRP 66 N -0.86 3.59 -0.07 1.54 0.51 0.55 -4.89 118.94 119.31 1g3g s TRP 66 Ca 0.13 0.52 0.03 0.00 -2.12 0.00 0.00 56.10 54.66 1g3g s TRP 66 Cb -0.11 -1.96 0.01 0.00 -0.81 0.00 0.00 33.47 30.60 1g3g s TRP 66 CO 0.02 0.71 -0.14 0.99 -0.51 0.00 0.00 176.95 178.02 1g3g s THR 67 N -0.93 1.28 -0.29 2.01 2.01 -1.26 0.19 115.64 118.65 1g3g s THR 67 Ca 0.15 -0.56 -0.10 0.00 0.31 0.00 0.00 61.69 61.48 1g3g s THR 67 Cb -0.12 -1.15 -0.03 0.00 0.01 0.00 0.00 72.50 71.21 1g3g s THR 67 CO 0.04 0.39 0.15 -0.36 -0.69 0.00 0.00 174.62 174.15 1g3g s PHE 68 N 0.61 3.17 -5.00 4.92 0.08 0.32 0.27 117.98 122.35 1g3g s PHE 68 Ca -0.15 -0.25 0.00 0.00 0.12 0.00 0.00 56.93 56.65 1g3g s PHE 68 Cb -0.16 -2.34 0.00 0.00 -0.57 0.00 0.00 43.02 39.94 1g3g s PHE 68 CO 0.05 -0.32 0.00 0.41 -0.10 0.00 0.00 175.22 175.26 1g3g n GLY 69 N 5.01 -0.30 3.56 4.36 0.00 -1.23 -0.64 105.19 115.94 1g3g n GLY 69 Ca -0.14 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.49 1g3g n GLY 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g3g s ARG 70 N -2.00 3.10 0.10 1.61 0.52 -1.25 -3.95 118.95 117.08 1g3g s ARG 70 Ca 0.00 -0.59 -0.12 0.00 -0.52 0.00 0.00 55.73 54.50 1g3g s ARG 70 Cb 0.00 -5.04 0.02 0.00 0.52 0.00 0.00 34.95 30.44 1g3g s ARG 70 CO 0.00 -2.65 0.29 -0.80 0.02 0.00 0.00 175.30 172.15 1g3g s ASN 71 N 6.17 -0.05 0.00 0.23 0.01 -1.26 -4.70 114.94 115.34 1g3g s ASN 71 Ca 0.55 -0.47 0.07 0.00 -0.71 0.00 0.00 52.86 52.30 1g3g s ASN 71 Cb -0.04 0.40 0.35 0.00 0.41 0.00 0.00 41.25 42.37 1g3g s ASN 71 CO -0.01 -0.77 1.13 -0.81 -1.51 0.00 0.00 177.10 175.12 1g3g n PRO 72 N -0.08 0.08 0.00 -0.60 -0.04 -1.26 -4.25 135.00 128.84 1g3g n PRO 72 Ca -0.16 0.26 0.00 0.00 -0.04 0.00 0.00 63.50 63.56 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 -1.34 0.00 0.00 0.55 0.00 -1.26 -4.40 120.51 114.07 1g3g n ALA 73 Ca 0.03 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.47 1g3g n ALA 73 Cb 0.06 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.51 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 1.96 -3.84 0.00 -0.08 0.77 -4.50 116.55 108.47 1g3g n ASP 75 Ca -0.00 0.26 -0.12 0.00 -1.51 0.00 0.00 54.79 53.42 1g3g n ASP 75 Cb 0.00 -0.80 -0.12 0.00 2.34 0.00 0.00 41.12 42.54 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 -2.48 -0.11 -0.48 -0.67 6.14 -1.14 -4.92 117.35 113.70 1g3g s TYR 76 Ca -0.33 0.27 -0.17 0.00 0.64 0.00 0.00 57.07 57.48 1g3g s TYR 76 Cb 0.10 0.03 0.06 0.00 0.42 0.00 0.00 41.96 42.57 1g3g s TYR 76 CO 0.57 -0.10 0.49 -1.58 0.64 0.00 0.00 175.55 175.58 1g3g s HIS 77 N -0.13 3.15 0.45 4.97 5.65 -1.26 -3.97 115.29 124.15 1g3g s HIS 77 Ca -0.02 -0.68 0.03 0.00 0.25 0.00 0.00 55.06 54.64 1g3g s HIS 77 Cb -0.02 -3.26 -0.04 0.00 -1.18 0.00 0.00 32.58 28.09 1g3g s HIS 77 CO 0.00 -0.87 0.04 -0.48 -0.65 0.00 0.00 174.74 172.78 1g3g s LEU 78 N 2.11 2.34 0.00 8.88 0.05 -1.25 -4.91 118.68 125.90 1g3g s LEU 78 Ca 0.10 -1.57 -0.17 0.00 0.05 0.00 0.00 54.13 52.55 1g3g s LEU 78 Cb -0.21 -0.59 0.26 0.00 -2.05 0.00 0.00 46.19 43.60 1g3g s LEU 78 CO 0.10 -0.75 0.58 0.61 -0.55 0.00 0.00 176.35 176.33 1g3g n GLY 79 N -1.06 -2.70 3.14 -3.48 0.00 -1.26 -4.71 105.19 95.12 1g3g n GLY 79 Ca -0.11 -0.87 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 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 -2.41 5.36 -0.23 1.61 2.20 -1.26 -4.55 114.94 115.66 1g3g s ASN 80 Ca 0.45 -2.14 -0.02 0.00 -0.94 0.00 0.00 52.86 50.21 1g3g s ASN 80 Cb -0.08 -1.87 0.01 0.00 -2.00 0.00 0.00 41.25 37.31 1g3g s ASN 80 CO 0.38 -0.55 -0.07 -0.63 -2.94 0.00 0.00 177.10 173.28 1g3g s ILE 81 N 0.99 2.94 0.61 0.54 -1.09 -1.26 -4.98 121.20 118.95 1g3g s ILE 81 Ca 0.09 -0.83 0.30 0.00 -2.23 0.00 0.00 60.65 57.98 1g3g s ILE 81 Cb -0.23 -2.41 0.36 0.00 -1.58 0.00 0.00 42.46 38.60 1g3g s ILE 81 CO -0.03 0.32 2.02 -1.28 -1.23 0.00 0.00 174.94 174.74 1g3g h SER 82 N 8.04 0.00 0.00 3.58 0.87 -1.99 -3.10 113.55 120.94 1g3g h SER 82 Ca -0.38 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.18 1g3g h SER 82 Cb 1.13 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.09 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 -3.54 0.00 -3.73 2.24 3.00 -1.26 -4.94 116.66 108.43 1g3g n ARG 83 Ca 0.02 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.48 1g3g n ARG 83 Cb 0.42 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.76 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.48 0.00 0.00 0.00 177.63 177.15 1g3g s LEU 84 N 0.00 4.39 0.00 0.55 0.05 -1.26 -4.49 118.68 117.93 1g3g s LEU 84 Ca 0.00 -1.14 0.00 0.00 0.05 0.00 0.00 54.13 53.04 1g3g s LEU 84 Cb 0.00 -1.89 0.00 0.00 -2.05 0.00 0.00 46.19 42.25 1g3g s LEU 84 CO 0.00 -0.34 0.00 -1.20 -0.55 0.00 0.00 176.35 174.26 1g3g n SER 85 N 4.83 0.00 -3.68 1.48 7.64 -1.26 -4.88 113.62 117.75 1g3g n SER 85 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 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 -3.95 6.43 3.02 -1.17 -3.72 115.26 115.87 1g3g n ASN 86 Ca 0.00 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.39 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 2.29 -2.62 0.00 0.00 177.26 176.93 1g3g n LYS 87 N 0.00 0.02 0.03 3.52 2.85 -1.26 -3.47 118.16 119.85 1g3g n LYS 87 Ca 0.00 -0.59 0.11 0.00 -1.05 0.00 0.00 58.31 56.78 1g3g n LYS 87 Cb 0.00 -1.95 -0.03 0.00 -0.65 0.00 0.00 35.03 32.40 1g3g n LYS 87 CO 0.00 0.00 0.00 1.58 -0.05 0.00 0.00 177.40 178.93 1g3g n HIS 88 N 8.17 0.32 -3.62 5.58 -0.00 0.18 -4.39 115.22 121.45 1g3g n HIS 88 Ca 0.21 0.09 -0.03 0.00 0.46 0.00 0.00 57.72 58.45 1g3g n HIS 88 Cb 0.39 -0.52 -0.03 0.00 -0.12 0.00 0.00 29.99 29.71 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 -3.29 -0.08 0.10 1.57 2.19 0.34 -2.56 117.98 116.26 1g3g s PHE 89 Ca 0.01 0.07 0.00 0.00 0.33 0.00 0.00 56.93 57.34 1g3g s PHE 89 Cb 0.14 0.50 -0.04 0.00 -1.31 0.00 0.00 43.02 42.31 1g3g s PHE 89 CO 0.83 -0.10 -0.02 -0.65 1.83 0.00 0.00 175.22 177.11 1g3g s GLN 90 N -1.87 0.83 -0.05 10.12 -0.21 0.37 0.12 119.66 128.96 1g3g s GLN 90 Ca 0.10 -1.36 0.03 0.00 0.02 0.00 0.00 55.36 54.15 1g3g s GLN 90 Cb -0.01 -0.00 0.01 0.00 1.00 0.00 0.00 33.01 34.00 1g3g s GLN 90 CO -0.04 -0.11 -0.13 0.42 -2.12 0.00 0.00 175.29 173.30 1g3g s ILE 91 N -3.80 1.18 -0.11 1.08 1.01 0.52 0.10 121.20 121.18 1g3g s ILE 91 Ca 0.15 -0.54 0.04 0.00 0.00 0.00 0.00 60.65 60.29 1g3g s ILE 91 Cb 0.07 -1.05 0.00 0.00 0.01 0.00 0.00 42.46 41.49 1g3g s ILE 91 CO -0.04 0.36 -0.23 -0.76 0.00 0.00 0.00 174.94 174.27 1g3g s LEU 92 N 0.38 2.06 -0.05 2.97 1.02 0.33 0.20 118.68 125.60 1g3g s LEU 92 Ca -0.09 -0.55 0.04 0.00 0.02 0.00 0.00 54.13 53.54 1g3g s LEU 92 Cb -0.13 -1.38 0.00 0.00 0.02 0.00 0.00 46.19 44.70 1g3g s LEU 92 CO 0.03 0.14 -0.17 -0.76 0.02 0.00 0.00 176.35 175.60 1g3g s LEU 93 N 0.46 1.88 0.00 1.79 2.01 -1.13 0.18 118.68 123.88 1g3g s LEU 93 Ca -0.16 -0.37 0.00 0.00 0.01 0.00 0.00 54.13 53.61 1g3g s LEU 93 Cb -0.17 -1.00 0.00 0.00 0.01 0.00 0.00 46.19 45.02 1g3g s LEU 93 CO 0.06 0.13 0.00 0.61 1.01 0.00 0.00 176.35 178.17 1g3g n GLY 94 N 3.32 0.16 2.85 -3.19 0.00 0.39 -2.95 105.19 105.77 1g3g n GLY 94 Ca -0.19 -1.65 -0.06 0.00 0.00 0.00 0.00 46.02 44.12 1g3g n GLY 94 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1g3g n GLU 95 N 0.00 -2.74 -2.45 1.61 4.07 -1.23 -2.04 120.64 117.86 1g3g n GLU 95 Ca 0.00 2.31 -0.19 0.00 -0.06 0.00 0.00 57.16 59.22 1g3g n GLU 95 Cb 0.00 -5.22 -0.00 0.00 -0.06 0.00 0.00 31.44 26.16 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 -0.06 0.00 0.00 177.13 176.82 1g3g n ASP 96 N 0.17 -5.49 -2.29 4.31 8.00 -1.26 -4.14 116.55 115.85 1g3g n ASP 96 Ca 0.06 -0.05 -0.02 0.00 0.71 0.00 0.00 54.79 55.49 1g3g n ASP 96 Cb 0.29 -4.51 -0.01 0.00 -0.02 0.00 0.00 41.12 36.87 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 -1.08 -4.17 2.11 0.44 0.00 -1.24 -4.95 105.19 96.29 1g3g n GLY 97 Ca -0.21 0.63 0.02 0.00 0.00 0.00 0.00 46.02 46.46 1g3g n GLY 97 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1g3g n ASN 98 N 0.78 -0.59 -3.94 1.61 2.85 -0.87 -4.97 115.26 110.13 1g3g n ASN 98 Ca -0.13 -1.08 -0.21 0.00 -0.11 0.00 0.00 54.58 53.05 1g3g n ASN 98 Cb 0.20 0.91 -0.16 0.00 1.24 0.00 0.00 39.78 41.96 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.76 -2.11 0.00 0.00 177.26 174.39 1g3g s LEU 99 N 0.00 1.48 0.04 1.20 1.02 -1.26 -0.46 118.68 120.70 1g3g s LEU 99 Ca 0.16 -0.17 0.03 0.00 0.02 0.00 0.00 54.13 54.17 1g3g s LEU 99 Cb -0.00 -0.54 -0.02 0.00 0.02 0.00 0.00 46.19 45.65 1g3g s LEU 99 CO -0.01 -0.02 -0.10 -0.76 0.02 0.00 0.00 176.35 175.49 1g3g s LEU 100 N 0.73 2.22 -0.12 1.79 2.01 0.48 -2.29 118.68 123.50 1g3g s LEU 100 Ca -0.11 -0.49 -0.00 0.00 0.01 0.00 0.00 54.13 53.53 1g3g s LEU 100 Cb -0.14 -0.32 -0.02 0.00 0.01 0.00 0.00 46.19 45.72 1g3g s LEU 100 CO 0.01 -0.11 -0.11 -0.76 1.01 0.00 0.00 176.35 176.40 1g3g s LEU 101 N -1.36 2.86 -0.32 1.79 2.01 0.47 0.12 118.68 124.26 1g3g s LEU 101 Ca -0.05 -0.25 -0.07 0.00 0.01 0.00 0.00 54.13 53.77 1g3g s LEU 101 Cb -0.09 -1.65 0.03 0.00 0.01 0.00 0.00 46.19 44.49 1g3g s LEU 101 CO 0.01 0.20 0.09 0.21 1.01 0.00 0.00 176.35 177.87 1g3g s ASN 102 N 0.16 5.23 -0.44 2.29 2.47 0.29 0.17 114.94 125.11 1g3g s ASN 102 Ca -0.06 -0.96 -0.25 0.00 0.42 0.00 0.00 52.86 52.01 1g3g s ASN 102 Cb -0.15 -1.87 0.02 0.00 -1.45 0.00 0.00 41.25 37.80 1g3g s ASN 102 CO 0.04 -0.27 0.87 -1.81 -3.72 0.00 0.00 177.10 172.21 1g3g s ASP 103 N 1.44 6.49 -0.26 -4.21 1.01 -1.23 0.14 116.67 120.05 1g3g s ASP 103 Ca 0.00 0.09 0.02 0.00 0.71 0.00 0.00 52.55 53.37 1g3g s ASP 103 Cb -0.19 -2.43 0.07 0.00 1.01 0.00 0.00 42.92 41.38 1g3g s ASP 103 CO 0.03 -0.97 -0.05 0.27 0.21 0.00 0.00 175.17 174.65 1g3g s ILE 104 N 3.54 1.75 0.26 0.77 -4.36 -1.24 0.14 121.20 122.06 1g3g s ILE 104 Ca 0.34 -1.46 0.02 0.00 -0.26 0.00 0.00 60.65 59.29 1g3g s ILE 104 Cb -0.11 -2.01 -0.05 0.00 1.25 0.00 0.00 42.46 41.53 1g3g s ILE 104 CO 0.24 -0.16 0.08 -0.44 0.24 0.00 0.00 174.94 174.90 1g3g s SER 105 N 1.27 1.39 -0.01 4.36 0.01 -1.06 0.12 113.70 119.80 1g3g s SER 105 Ca -0.04 -1.36 -0.14 0.00 1.31 0.00 0.00 55.95 55.72 1g3g s SER 105 Cb -0.19 0.12 -0.08 0.00 0.21 0.00 0.00 66.02 66.08 1g3g s SER 105 CO -0.07 -0.69 0.75 0.74 0.41 0.00 0.00 173.24 174.38 1g3g h THR 106 N 2.37 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.49 1g3g h THR 106 Ca -0.38 -0.32 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 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 0.62 0.00 -1.56 -0.46 0.37 0.00 0.00 175.52 174.49 1g3g n ASN 107 N -4.27 3.09 -3.74 4.18 0.23 -1.26 -5.06 115.26 108.43 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 0.20 0.41 -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 -4.32 -0.16 -0.03 4.83 0.00 -1.26 -5.03 107.32 101.34 1g3g s GLY 108 Ca -0.07 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.67 1g3g s GLY 108 CO 0.30 1.11 -0.24 -1.59 0.00 0.00 0.00 173.10 172.68 1g3g s THR 109 N 0.97 1.92 0.10 0.90 2.01 -1.26 -3.97 115.64 116.32 1g3g s THR 109 Ca -0.07 -1.02 0.10 0.00 0.31 0.00 0.00 61.69 61.01 1g3g s THR 109 Cb -0.08 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1g3g s THR 109 CO -0.06 0.54 -0.25 0.26 -0.69 0.00 0.00 174.62 174.42 1g3g s TRP 110 N -0.37 2.14 -0.22 4.92 0.51 0.49 0.27 118.94 126.68 1g3g s TRP 110 Ca 0.04 -0.39 0.01 0.00 -2.12 0.00 0.00 56.10 53.64 1g3g s TRP 110 Cb -0.11 -1.19 0.05 0.00 -0.81 0.00 0.00 33.47 31.41 1g3g s TRP 110 CO 0.01 0.26 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.44 1g3g s LEU 111 N -1.84 2.68 -1.64 2.99 2.96 -0.35 0.11 118.68 123.59 1g3g s LEU 111 Ca 0.11 -1.10 -0.12 0.00 -0.22 0.00 0.00 54.13 52.81 1g3g s LEU 111 Cb -0.10 -1.32 0.11 0.00 0.50 0.00 0.00 46.19 45.38 1g3g s LEU 111 CO 0.05 -0.18 0.52 0.59 -1.32 0.00 0.00 176.35 176.01 1g3g n ASN 112 N 4.61 -1.55 -0.02 3.68 3.02 -0.64 0.10 115.26 124.45 1g3g n ASN 112 Ca -0.14 -1.10 -0.00 0.00 -0.03 0.00 0.00 54.58 53.31 1g3g n ASN 112 Cb 0.45 -2.42 -0.00 0.00 -0.61 0.00 0.00 39.78 37.20 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 0.38 2.61 7.41 0.00 -1.26 -5.02 105.19 107.61 1g3g n GLY 113 Ca -0.08 -1.00 -0.29 0.00 0.00 0.00 0.00 46.02 44.64 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 -2.85 0.50 0.01 1.61 -0.21 0.11 -5.11 119.66 113.72 1g3g s GLN 114 Ca 0.00 -0.94 -0.39 0.00 0.02 0.00 0.00 55.36 54.06 1g3g s GLN 114 Cb 0.00 -1.55 -0.18 0.00 1.00 0.00 0.00 33.01 32.28 1g3g s GLN 114 CO 0.00 -1.04 1.27 1.17 -2.12 0.00 0.00 175.29 174.56 1g3g n LYS 115 N 4.82 0.65 -4.46 2.91 4.81 -1.26 -1.21 118.16 124.42 1g3g n LYS 115 Ca -0.01 0.23 -0.25 0.00 -0.87 0.00 0.00 58.31 57.42 1g3g n LYS 115 Cb 0.41 -1.82 -0.10 0.00 0.02 0.00 0.00 35.03 33.54 1g3g n LYS 115 CO 0.00 0.00 0.00 0.54 1.17 0.00 0.00 177.40 179.11 1g3g s VAL 116 N 0.57 2.52 0.35 3.15 0.11 0.14 -4.83 120.40 122.42 1g3g s VAL 116 Ca 0.89 -2.25 -0.27 0.00 -2.93 0.00 0.00 61.98 57.42 1g3g s VAL 116 Cb -1.11 -2.52 -0.09 0.00 -1.53 0.00 0.00 36.38 31.13 1g3g s VAL 116 CO 0.53 -0.31 1.19 -0.70 -3.33 0.00 0.00 175.10 172.48 1g3g s GLU 117 N -3.58 4.27 0.92 1.54 2.56 -1.26 -4.21 118.70 118.93 1g3g s GLU 117 Ca 0.31 1.93 -0.11 0.00 0.00 0.00 0.00 54.97 57.10 1g3g s GLU 117 Cb -0.02 -2.90 0.14 0.00 2.00 0.00 0.00 34.13 33.35 1g3g s GLU 117 CO 0.16 -0.16 1.10 0.21 -0.56 0.00 0.00 175.26 176.02 1g3g s LYS 118 N -1.97 1.07 -1.09 4.30 2.20 -1.26 -3.08 119.74 119.91 1g3g s LYS 118 Ca 0.52 1.14 -0.14 0.00 -0.36 0.00 0.00 55.97 57.13 1g3g s LYS 118 Cb -0.33 -1.76 0.14 0.00 -1.51 0.00 0.00 37.83 34.36 1g3g s LYS 118 CO 0.43 -2.47 0.35 0.27 -0.36 0.00 0.00 175.35 173.57 1g3g n ASN 119 N -4.08 -1.26 -4.24 1.43 0.23 0.37 -4.85 115.26 102.87 1g3g n ASN 119 Ca 0.08 -0.62 -0.37 0.00 -0.53 0.00 0.00 54.58 53.14 1g3g n ASN 119 Cb 0.54 -1.12 -0.13 0.00 -2.08 0.00 0.00 39.78 36.98 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 -2.44 5.19 0.37 0.53 1.04 -1.18 -4.90 113.70 112.30 1g3g s SER 120 Ca 0.49 -1.22 -0.28 0.00 0.48 0.00 0.00 55.95 55.41 1g3g s SER 120 Cb -0.28 -1.82 -0.11 0.00 0.10 0.00 0.00 66.02 63.91 1g3g s SER 120 CO 0.60 -0.32 1.50 0.59 0.98 0.00 0.00 173.24 176.59 1g3g n ASN 121 N 4.75 3.81 -4.18 7.02 4.13 -1.25 -3.55 115.26 125.98 1g3g n ASN 121 Ca -0.12 1.22 -0.20 0.00 1.68 0.00 0.00 54.58 57.16 1g3g n ASN 121 Cb 0.44 -1.62 -0.13 0.00 -1.54 0.00 0.00 39.78 36.93 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 -1.94 0.94 0.13 3.52 -1.52 0.45 -4.81 119.66 116.42 1g3g s GLN 122 Ca 0.54 -0.92 -0.31 0.00 -1.95 0.00 0.00 55.36 52.73 1g3g s GLN 122 Cb -0.48 -0.99 -0.07 0.00 -0.22 0.00 0.00 33.01 31.25 1g3g s GLN 122 CO 0.62 0.23 1.27 -1.17 -0.25 0.00 0.00 175.29 176.00 1g3g s LEU 123 N -1.53 4.39 0.54 2.90 0.20 -1.26 0.18 118.68 124.10 1g3g s LEU 123 Ca 0.01 2.22 -0.21 0.00 0.69 0.00 0.00 54.13 56.84 1g3g s LEU 123 Cb -0.09 -3.59 -0.07 0.00 -0.43 0.00 0.00 46.19 42.01 1g3g s LEU 123 CO 0.02 -0.51 1.04 0.00 -0.29 0.00 0.00 176.35 176.61 1g3g n LEU 124 N 3.42 3.65 -4.27 -0.68 -0.00 -0.97 -4.81 117.00 113.34 1g3g n LEU 124 Ca 0.08 0.91 -0.21 0.00 -0.00 0.00 0.00 56.01 56.79 1g3g n LEU 124 Cb 0.44 -1.41 -0.12 0.00 -0.00 0.00 0.00 43.42 42.34 1g3g n LEU 124 CO 0.57 -1.52 -0.48 -0.44 -0.00 0.00 0.00 177.39 175.52 1g3g s SER 125 N -1.02 2.31 -0.28 1.45 0.01 -1.26 -5.07 113.70 109.83 1g3g s SER 125 Ca 0.71 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.90 1g3g s SER 125 Cb -0.46 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.65 1g3g s SER 125 CO 0.51 -0.06 1.59 -1.10 0.41 0.00 0.00 173.24 174.59 1g3g s GLN 126 N -2.46 3.68 -1.46 12.44 -1.52 -1.26 -2.51 119.66 126.58 1g3g s GLN 126 Ca 0.10 1.46 -0.01 0.00 -1.95 0.00 0.00 55.36 54.95 1g3g s GLN 126 Cb -0.07 -4.05 0.00 0.00 -0.22 0.00 0.00 33.01 28.67 1g3g s GLN 126 CO 0.04 -1.43 0.19 0.41 -0.25 0.00 0.00 175.29 174.25 1g3g n GLY 127 N 4.85 -0.36 3.39 3.09 0.00 -1.14 -4.95 105.19 110.07 1g3g n GLY 127 Ca 0.19 -0.09 -0.33 0.00 0.00 0.00 0.00 46.02 45.79 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 -1.58 -2.32 -3.76 1.61 2.03 -0.28 -4.50 116.55 107.75 1g3g n ASP 128 Ca -0.17 0.30 -0.13 0.00 0.52 0.00 0.00 54.79 55.31 1g3g n ASP 128 Cb 0.64 -1.17 -0.12 0.00 -0.72 0.00 0.00 41.12 39.75 1g3g n ASP 128 CO 0.00 0.00 0.00 -1.61 -1.92 0.00 0.00 177.20 173.67 1g3g s GLU 129 N -3.54 0.24 -0.14 -0.67 2.02 -1.26 0.16 118.70 115.51 1g3g s GLU 129 Ca 0.56 0.42 -0.00 0.00 0.02 0.00 0.00 54.97 55.96 1g3g s GLU 129 Cb -0.20 0.02 -0.01 0.00 0.10 0.00 0.00 34.13 34.03 1g3g s GLU 129 CO 0.68 -0.09 -0.13 0.42 0.02 0.00 0.00 175.26 176.16 1g3g s ILE 130 N 0.64 2.96 -0.02 -1.63 1.09 0.12 -1.62 121.20 122.74 1g3g s ILE 130 Ca -0.04 -0.69 -0.02 0.00 -1.10 0.00 0.00 60.65 58.80 1g3g s ILE 130 Cb -0.06 -2.24 -0.04 0.00 -1.06 0.00 0.00 42.46 39.06 1g3g s ILE 130 CO -0.04 0.52 0.11 -0.89 -0.10 0.00 0.00 174.94 174.54 1g3g s THR 131 N 0.48 4.97 0.05 2.92 2.01 0.30 0.14 115.64 126.51 1g3g s THR 131 Ca -0.10 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.59 1g3g s THR 131 Cb -0.16 -3.27 -0.03 0.00 0.01 0.00 0.00 72.50 69.05 1g3g s THR 131 CO 0.04 0.37 0.00 0.68 -0.69 0.00 0.00 174.62 175.03 1g3g s VAL 132 N -1.21 0.19 -0.84 3.82 -7.23 0.44 0.19 120.40 115.75 1g3g s VAL 132 Ca 0.23 -1.57 -0.04 0.00 -1.81 0.00 0.00 61.98 58.79 1g3g s VAL 132 Cb -0.12 -1.29 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1g3g s VAL 132 CO 0.14 -0.87 0.73 0.61 -0.31 0.00 0.00 175.10 175.40 1g3g n GLY 133 N 0.34 -0.03 3.84 2.32 0.00 -1.25 -0.36 105.19 110.04 1g3g n GLY 133 Ca -0.16 -0.08 -0.32 0.00 0.00 0.00 0.00 46.02 45.46 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 4.45 0.00 1.61 1.01 -1.26 -3.77 120.40 119.22 1g3g s VAL 134 Ca 0.26 1.03 0.00 0.00 0.00 0.00 0.00 61.98 63.27 1g3g s VAL 134 Cb -0.11 -3.69 0.00 0.00 0.00 0.00 0.00 36.38 32.57 1g3g s VAL 134 CO 0.47 -0.80 0.00 0.61 0.00 0.00 0.00 175.10 175.38 1g3g n GLY 135 N -1.85 3.54 3.05 4.51 0.00 -1.26 -5.03 105.19 108.15 1g3g n GLY 135 Ca 0.07 -0.51 -0.27 0.00 0.00 0.00 0.00 46.02 45.31 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 1.34 0.53 1.61 1.01 -1.26 -5.01 120.40 118.62 1g3g s VAL 136 Ca 0.00 -0.58 0.31 0.00 0.00 0.00 0.00 61.98 61.71 1g3g s VAL 136 Cb 0.00 -1.22 0.48 0.00 0.00 0.00 0.00 36.38 35.64 1g3g s VAL 136 CO 0.00 0.40 1.89 -0.08 0.00 0.00 0.00 175.10 177.32 1g3g h GLU 137 N 7.13 0.01 -0.35 2.72 4.81 -1.98 0.69 114.58 127.61 1g3g h GLU 137 Ca -0.29 -0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.94 1g3g h GLU 137 Cb 1.19 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1g3g h GLU 137 CO 0.47 0.01 0.00 0.45 -0.73 0.00 0.00 179.01 179.21 1g3g n SER 138 N -4.28 2.59 -1.04 1.04 2.88 -1.26 -4.16 113.62 109.39 1g3g n SER 138 Ca 0.18 -1.90 0.05 0.00 -1.33 0.00 0.00 58.87 55.87 1g3g n SER 138 Cb 0.95 -0.23 0.10 0.00 -0.75 0.00 0.00 64.21 64.28 1g3g n SER 138 CO 0.00 0.00 0.00 0.47 -1.23 0.00 0.00 175.04 174.28 1g3g n ASP 139 N 0.92 1.30 -4.73 -3.46 8.00 0.24 -5.06 116.55 113.76 1g3g n ASP 139 Ca 0.17 -2.83 -0.35 0.00 0.71 0.00 0.00 54.79 52.50 1g3g n ASP 139 Cb 0.45 -0.40 -0.09 0.00 -0.02 0.00 0.00 41.12 41.07 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1g3g s ILE 140 N -1.44 4.55 -0.06 0.53 1.01 -1.10 -4.44 121.20 120.24 1g3g s ILE 140 Ca 0.34 -0.22 0.05 0.00 0.00 0.00 0.00 60.65 60.83 1g3g s ILE 140 Cb 0.36 -2.95 -0.01 0.00 0.01 0.00 0.00 42.46 39.87 1g3g s ILE 140 CO -0.12 0.56 -0.23 -0.76 0.00 0.00 0.00 174.94 174.40 1g3g s LEU 141 N -1.06 2.03 0.12 2.97 1.02 0.51 -4.98 118.68 119.30 1g3g s LEU 141 Ca 0.15 -0.48 0.10 0.00 0.02 0.00 0.00 54.13 53.93 1g3g s LEU 141 Cb -0.12 -1.28 -0.04 0.00 0.02 0.00 0.00 46.19 44.78 1g3g s LEU 141 CO 0.04 0.21 -0.25 -0.44 0.02 0.00 0.00 176.35 175.94 1g3g s SER 142 N -0.05 3.45 0.11 2.29 0.01 -1.26 0.17 113.70 118.41 1g3g s SER 142 Ca -0.05 -0.70 0.08 0.00 1.31 0.00 0.00 55.95 56.59 1g3g s SER 142 Cb -0.14 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.76 1g3g s SER 142 CO 0.04 0.18 -0.20 -0.76 0.41 0.00 0.00 173.24 172.91 1g3g s LEU 143 N -2.04 2.32 -0.00 2.44 1.02 0.38 -3.91 118.68 118.88 1g3g s LEU 143 Ca 0.15 -0.71 0.05 0.00 0.02 0.00 0.00 54.13 53.65 1g3g s LEU 143 Cb -0.10 -0.86 -0.02 0.00 0.02 0.00 0.00 46.19 45.23 1g3g s LEU 143 CO 0.07 0.04 -0.17 -0.69 0.02 0.00 0.00 176.35 175.61 1g3g s VAL 144 N -1.28 1.37 -0.12 -1.59 1.01 0.13 0.13 120.40 120.05 1g3g s VAL 144 Ca 0.07 -0.81 0.02 0.00 0.00 0.00 0.00 61.98 61.27 1g3g s VAL 144 Cb -0.09 -1.15 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1g3g s VAL 144 CO 0.04 0.33 -0.19 -0.63 0.00 0.00 0.00 175.10 174.65 1g3g s ILE 145 N -0.49 1.77 -0.19 2.22 1.01 0.41 0.21 121.20 126.14 1g3g s ILE 145 Ca 0.06 -0.81 -0.01 0.00 0.00 0.00 0.00 60.65 59.89 1g3g s ILE 145 Cb -0.07 -1.58 0.00 0.00 0.01 0.00 0.00 42.46 40.82 1g3g s ILE 145 CO -0.00 0.49 -0.12 0.12 0.00 0.00 0.00 174.94 175.43 1g3g s PHE 146 N 0.84 2.86 -0.18 3.97 5.36 0.34 -1.13 117.98 130.04 1g3g s PHE 146 Ca -0.08 -1.19 -0.07 0.00 -0.96 0.00 0.00 56.93 54.63 1g3g s PHE 146 Cb -0.16 -1.99 -0.04 0.00 -0.34 0.00 0.00 43.02 40.49 1g3g s PHE 146 CO -0.00 -0.61 0.06 0.42 -1.46 0.00 0.00 175.22 173.62 1g3g s ILE 147 N 1.25 4.73 0.04 3.12 -1.09 -1.26 0.19 121.20 128.18 1g3g s ILE 147 Ca 0.03 -0.05 -0.30 0.00 -2.23 0.00 0.00 60.65 58.09 1g3g s ILE 147 Cb -0.14 -3.13 -0.05 0.00 -1.58 0.00 0.00 42.46 37.57 1g3g s ILE 147 CO -0.06 0.46 1.07 0.54 -1.23 0.00 0.00 174.94 175.73 1g3g s ASN 148 N 0.35 7.26 0.44 3.58 2.20 -1.26 -4.85 114.94 122.66 1g3g s ASN 148 Ca 0.03 1.84 0.25 0.00 -0.94 0.00 0.00 52.86 54.03 1g3g s ASN 148 Cb -0.12 -2.58 0.85 0.00 -2.00 0.00 0.00 41.25 37.40 1g3g s ASN 148 CO 0.00 -0.32 1.79 -0.78 -2.94 0.00 0.00 177.10 174.85 1g3g h ASP 149 N 6.59 0.00 -0.95 3.54 1.82 -1.97 -3.14 116.42 122.30 1g3g h ASP 149 Ca -0.42 0.00 0.06 0.00 -0.39 0.00 0.00 57.03 56.29 1g3g h ASP 149 Cb 1.22 0.00 -0.06 0.00 0.68 0.00 0.00 39.33 41.16 1g3g h ASP 149 CO 0.77 0.19 0.61 0.11 -1.61 0.00 0.00 179.24 179.31 1g3g h LYS 150 N 0.00 1.08 -0.84 0.28 6.56 -1.91 -1.53 116.57 120.20 1g3g h LYS 150 Ca -0.00 -0.07 -0.00 0.00 -1.06 0.00 0.00 60.65 59.52 1g3g h LYS 150 Cb 0.80 -0.24 -0.04 0.00 -0.57 0.00 0.00 32.23 32.17 1g3g h LYS 150 CO 0.03 0.72 0.52 0.35 -2.06 0.00 0.00 179.45 179.00 1g3g h PHE 151 N 1.11 1.10 -0.43 -1.35 3.04 -1.71 -1.94 116.94 116.75 1g3g h PHE 151 Ca 0.41 0.00 0.00 0.00 3.98 0.00 0.00 57.97 62.37 1g3g h PHE 151 Cb 0.16 -0.36 -0.02 0.00 2.56 0.00 0.00 35.95 38.28 1g3g h PHE 151 CO -0.01 0.72 0.27 -0.22 -2.02 0.00 0.00 178.31 177.05 1g3g h LYS 152 N 1.15 0.58 -0.69 1.11 3.64 -1.42 -2.11 116.57 118.84 1g3g h LYS 152 Ca 0.30 -0.04 -0.03 0.00 -1.27 0.00 0.00 60.65 59.62 1g3g h LYS 152 Cb -0.07 -0.13 -0.03 0.00 -0.41 0.00 0.00 32.23 31.59 1g3g h LYS 152 CO -0.06 0.40 0.32 0.37 -2.27 0.00 0.00 179.45 178.21 1g3g h GLN 153 N 0.59 0.99 -0.49 1.90 -0.00 -0.96 -0.65 115.11 116.49 1g3g h GLN 153 Ca 0.16 -0.15 0.02 0.00 -0.00 0.00 0.00 58.65 58.68 1g3g h GLN 153 Cb -0.04 -0.18 -0.03 0.00 0.00 0.00 0.00 27.48 27.23 1g3g h GLN 153 CO -0.03 0.79 0.29 0.00 0.00 0.00 0.00 178.83 179.88 1g3g h LEU 155 N 0.58 0.61 -0.69 0.00 6.46 -1.34 0.25 115.31 121.18 1g3g h LEU 155 Ca 0.20 -0.23 -0.05 0.00 -0.12 0.00 0.00 57.88 57.69 1g3g h LEU 155 Cb 0.02 -0.17 -0.03 0.00 -0.73 0.00 0.00 40.66 39.76 1g3g h LEU 155 CO -0.09 0.86 0.25 -0.08 -0.62 0.00 0.00 178.44 178.77 1g3g h GLU 156 N 0.51 1.05 0.18 1.25 4.81 -0.53 -3.06 114.58 118.80 1g3g h GLU 156 Ca 0.07 -0.20 -0.31 0.00 -0.13 0.00 0.00 59.36 58.79 1g3g h GLU 156 Cb 0.75 -0.16 0.02 0.00 0.63 0.00 0.00 28.75 29.99 1g3g h GLU 156 CO 0.06 0.88 -1.40 0.37 -0.73 0.00 0.00 179.01 178.20 1g3g h GLN 157 N 1.00 0.37 -6.24 1.92 -0.00 -1.03 -3.49 115.11 107.63 1g3g h GLN 157 Ca 0.23 -0.63 -0.02 0.00 -0.00 0.00 0.00 58.65 58.22 1g3g h GLN 157 Cb 0.24 0.24 0.00 0.00 0.00 0.00 0.00 27.48 27.96 1g3g h GLN 157 CO -0.01 1.29 -1.01 0.27 0.00 0.00 0.00 178.83 179.36 1g3g n ASN 158 N -3.59 -6.67 -4.66 -0.69 0.23 0.86 -4.74 115.26 96.00 1g3g n ASN 158 Ca -0.13 0.48 -0.42 0.00 -0.53 0.00 0.00 54.58 53.98 1g3g n ASN 158 Cb 1.06 -2.03 -0.03 0.00 -2.08 0.00 0.00 39.78 36.70 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.75 -0.93 0.00 0.00 177.26 175.58 1g3g s LYS 159 N -1.17 4.14 0.31 -3.83 2.47 -1.26 -4.93 119.74 115.47 1g3g s LYS 159 Ca 0.03 2.63 -0.29 0.00 -1.56 0.00 0.00 55.97 56.77 1g3g s LYS 159 Cb -0.00 -4.09 -0.10 0.00 -1.46 0.00 0.00 37.83 32.18 1g3g s LYS 159 CO 0.15 -0.94 1.35 0.14 0.16 0.00 0.00 175.35 176.20 1g3g s VAL 160 N 4.23 2.67 -0.36 4.02 -7.23 -1.26 -4.93 120.40 117.53 1g3g s VAL 160 Ca 0.88 0.64 0.12 0.00 -1.81 0.00 0.00 61.98 61.81 1g3g s VAL 160 Cb -0.43 -3.41 0.41 0.00 0.56 0.00 0.00 36.38 33.50 1g3g s VAL 160 CO 0.41 0.14 1.44 -0.67 -0.31 0.00 0.00 175.10 176.11 1g3g n ASP 161 N 1.12 -1.39 -0.03 4.85 -0.08 -1.26 -5.00 116.55 114.76 1g3g n ASP 161 Ca 0.02 -2.32 -0.04 0.00 -1.51 0.00 0.00 54.79 50.93 1g3g n ASP 161 Cb 0.41 0.72 -0.01 0.00 2.34 0.00 0.00 41.12 44.57 1g3g n ASP 161 CO 0.00 0.00 0.00 0.54 0.12 0.00 0.00 177.20 177.86 1g3g n ARG 162 N -1.11 0.26 -3.79 -0.67 1.74 -1.26 -5.00 116.66 106.84 1g3g n ARG 162 Ca -0.10 0.10 -0.36 0.00 -0.77 0.00 0.00 57.85 56.72 1g3g n ARG 162 Cb 0.86 -0.92 -0.07 0.00 -1.02 0.00 0.00 32.46 31.31 1g3g n ARG 162 CO 0.00 0.00 0.00 0.96 -1.52 0.00 0.00 177.63 177.07 1g3g s ILE 163 N -2.18 5.44 -2.57 0.55 -4.36 -1.26 -5.32 121.20 111.50 1g3g s ILE 163 Ca -0.14 0.20 0.27 0.00 -0.26 0.00 0.00 60.65 60.72 1g3g s ILE 163 Cb 0.02 -3.44 0.50 0.00 1.25 0.00 0.00 42.46 40.79 1g3g s ILE 163 CO 0.21 0.51 1.68 -1.14 0.24 0.00 0.00 174.94 176.44