#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 0.44 0.09 1.61 -1.05 -1.26 -5.16 118.70 113.37 1g3g s GLU 2 Ca 0.00 0.94 0.06 0.00 -0.15 0.00 0.00 54.97 55.82 1g3g s GLU 2 Cb 0.00 0.23 -0.03 0.00 -0.44 0.00 0.00 34.13 33.88 1g3g s GLU 2 CO 0.00 -0.46 -0.15 -0.80 0.95 0.00 0.00 175.26 174.80 1g3g s ASN 3 N 2.70 1.92 -0.02 0.83 -0.87 -1.26 -5.15 114.94 113.09 1g3g s ASN 3 Ca 0.08 -0.69 0.01 0.00 -1.57 0.00 0.00 52.86 50.68 1g3g s ASN 3 Cb -0.14 -0.07 0.01 0.00 -0.02 0.00 0.00 41.25 41.03 1g3g s ASN 3 CO -0.17 -0.08 -0.03 0.27 -2.57 0.00 0.00 177.10 174.53 1g3g s ILE 4 N -1.55 0.31 0.05 0.60 -0.00 -1.26 -5.12 121.20 114.22 1g3g s ILE 4 Ca 0.03 -0.07 -0.31 0.00 -0.00 0.00 0.00 60.65 60.30 1g3g s ILE 4 Cb -0.08 -0.32 -0.07 0.00 -0.00 0.00 0.00 42.46 41.99 1g3g s ILE 4 CO 0.03 0.13 1.43 0.42 -0.00 0.00 0.00 174.94 176.95 1g3g s THR 5 N 0.46 3.48 -0.45 8.37 -4.23 -1.26 -4.96 115.64 117.05 1g3g s THR 5 Ca -0.05 0.96 0.09 0.00 -1.18 0.00 0.00 61.69 61.51 1g3g s THR 5 Cb -0.08 -3.62 0.32 0.00 1.34 0.00 0.00 72.50 70.46 1g3g s THR 5 CO -0.01 0.03 0.75 0.00 -0.54 0.00 0.00 174.62 174.85 1g3g n GLN 6 N 4.85 1.67 0.03 3.99 1.13 -1.26 -4.91 117.38 122.88 1g3g n GLN 6 Ca 0.13 -3.87 -0.08 0.00 -1.94 0.00 0.00 57.00 51.24 1g3g n GLN 6 Cb 0.43 -1.81 0.07 0.00 0.11 0.00 0.00 30.24 29.04 1g3g n GLN 6 CO 0.00 0.00 0.00 -1.00 -1.44 0.00 0.00 177.06 174.62 1g3g h PRO 7 N 3.29 0.45 0.00 -1.09 0.13 -2.09 -3.29 132.00 129.40 1g3g h PRO 7 Ca 0.11 -0.30 -0.07 0.00 -0.87 0.00 0.00 66.00 64.87 1g3g h PRO 7 Cb 0.80 0.04 -0.01 0.00 0.13 0.00 0.00 31.00 31.96 1g3g h PRO 7 CO 0.61 0.91 -1.89 0.25 -0.23 0.00 0.00 178.00 177.64 1g3g n THR 8 N -3.93 0.26 -3.85 1.56 -2.24 -1.26 -5.10 114.28 99.72 1g3g n THR 8 Ca -0.03 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.33 1g3g n THR 8 Cb 0.62 -0.06 -0.01 0.00 -2.10 0.00 0.00 70.33 68.77 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 -2.23 -0.81 -0.34 -0.78 -0.06 -1.24 -4.53 117.38 107.38 1g3g n GLN 9 Ca -0.09 0.53 0.07 0.00 -2.00 0.00 0.00 57.00 55.52 1g3g n GLN 9 Cb 0.60 -0.98 0.13 0.00 -4.06 0.00 0.00 30.24 25.93 1g3g n GLN 9 CO 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 177.06 176.86 1g3g n GLN 10 N -2.48 1.12 0.00 3.69 0.00 -1.26 -5.12 117.38 113.33 1g3g n GLN 10 Ca 0.00 -2.52 0.00 0.00 0.00 0.00 0.00 57.00 54.48 1g3g n GLN 10 Cb 0.18 -1.31 0.00 0.00 0.00 0.00 0.00 30.24 29.11 1g3g n GLN 10 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.06 177.51 1g3g n SER 11 N -1.06 -3.53 0.02 2.61 2.88 -1.26 -3.98 113.62 109.29 1g3g n SER 11 Ca 0.14 0.00 -0.13 0.00 -1.33 0.00 0.00 58.87 57.55 1g3g n SER 11 Cb 0.69 0.00 -0.01 0.00 -0.75 0.00 0.00 64.21 64.14 1g3g n SER 11 CO 0.00 0.00 0.00 0.74 -1.23 0.00 0.00 175.04 174.55 1g3g h THR 12 N 0.00 1.34 -3.63 2.46 2.02 -2.01 -3.42 112.91 109.67 1g3g h THR 12 Ca 0.00 -2.08 -0.65 0.00 0.77 0.00 0.00 66.41 64.45 1g3g h THR 12 Cb 0.00 2.07 -0.23 0.00 -1.74 0.00 0.00 68.15 68.25 1g3g h THR 12 CO 0.00 0.64 -0.63 -1.10 0.37 0.00 0.00 175.52 174.80 1g3g s GLN 13 N -3.66 3.65 -0.29 6.66 1.11 -1.26 -5.06 119.66 120.81 1g3g s GLN 13 Ca -0.07 -0.48 -0.01 0.00 0.01 0.00 0.00 55.36 54.81 1g3g s GLN 13 Cb 0.10 -3.31 0.09 0.00 -1.01 0.00 0.00 33.01 28.88 1g3g s GLN 13 CO 0.86 -0.18 0.07 0.00 0.01 0.00 0.00 175.29 176.05 1g3g s ALA 14 N 1.59 1.59 0.24 6.09 0.00 -1.26 -4.89 121.76 125.12 1g3g s ALA 14 Ca 0.06 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.47 1g3g s ALA 14 Cb -0.15 -1.56 0.00 0.00 0.00 0.00 0.00 23.12 21.41 1g3g s ALA 14 CO 0.03 -1.54 0.00 0.25 0.00 0.00 0.00 175.76 174.50 1g3g n THR 15 N 4.82 0.00 -0.06 0.00 -2.24 -1.26 -4.89 114.28 110.64 1g3g n THR 15 Ca -0.04 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.63 1g3g n THR 15 Cb 0.43 0.00 -0.05 0.00 -2.10 0.00 0.00 70.33 68.61 1g3g n THR 15 CO 0.00 0.00 0.00 1.56 -0.57 0.00 0.00 175.07 176.06 1g3g h GLN 16 N 0.00 0.33 -0.57 -0.78 7.50 -2.00 -1.59 115.11 118.01 1g3g h GLN 16 Ca 0.00 -0.09 -0.05 0.00 0.50 0.00 0.00 58.65 59.01 1g3g h GLN 16 Cb 0.00 -0.04 -0.03 0.00 0.05 0.00 0.00 27.48 27.46 1g3g h GLN 16 CO 0.00 0.47 0.14 -0.09 -1.50 0.00 0.00 178.83 177.85 1g3g h ARG 17 N 0.14 0.87 -0.33 1.46 2.43 -1.93 -2.56 114.38 114.46 1g3g h ARG 17 Ca 0.06 -0.18 -0.10 0.00 -0.81 0.00 0.00 59.98 58.96 1g3g h ARG 17 Cb 0.29 -0.13 -0.02 0.00 -0.42 0.00 0.00 29.97 29.70 1g3g h ARG 17 CO 0.00 0.78 -0.20 0.35 -1.51 0.00 0.00 179.97 179.40 1g3g h PHE 18 N 0.84 0.69 -0.38 2.20 3.57 -1.87 -2.69 116.94 119.31 1g3g h PHE 18 Ca 0.18 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.52 1g3g h PHE 18 Cb 0.30 -0.17 -0.02 0.00 2.79 0.00 0.00 35.95 38.85 1g3g h PHE 18 CO 0.02 0.78 0.14 -0.07 -2.23 0.00 0.00 178.31 176.95 1g3g h LEU 19 N 0.56 0.53 -0.81 0.59 4.07 -0.90 -2.69 115.31 116.66 1g3g h LEU 19 Ca 0.09 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 57.84 1g3g h LEU 19 Cb 0.64 -0.14 -0.04 0.00 1.08 0.00 0.00 40.66 42.21 1g3g h LEU 19 CO 0.05 0.56 0.40 0.40 -1.08 0.00 0.00 178.44 178.77 1g3g h ILE 20 N 0.46 1.25 -0.37 1.22 1.08 -1.39 -1.96 117.51 117.80 1g3g h ILE 20 Ca 0.12 -0.67 0.03 0.00 -0.39 0.00 0.00 64.86 63.95 1g3g h ILE 20 Cb 0.20 0.21 -0.03 0.00 -3.07 0.00 0.00 36.82 34.13 1g3g h ILE 20 CO -0.01 0.29 0.17 -0.08 -0.69 0.00 0.00 178.15 177.83 1g3g h GLU 21 N 1.14 0.34 0.00 2.37 4.81 -1.29 -1.68 114.58 120.26 1g3g h GLU 21 Ca 0.28 -0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.42 1g3g h GLU 21 Cb 0.09 -0.08 -0.01 0.00 0.63 0.00 0.00 28.75 29.39 1g3g h GLU 21 CO -0.04 0.22 -0.31 -0.22 -0.73 0.00 0.00 179.01 177.93 1g3g h LYS 22 N 0.35 0.00 -0.30 1.92 3.64 -1.26 -3.03 116.57 117.88 1g3g h LYS 22 Ca 0.16 0.00 0.01 0.00 -1.27 0.00 0.00 60.65 59.55 1g3g h LYS 22 Cb 0.10 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 31.90 1g3g h LYS 22 CO -0.13 0.31 0.18 0.35 -2.27 0.00 0.00 179.45 177.88 1g3g h PHE 23 N 0.00 0.33 -0.13 1.91 3.04 -0.52 -3.01 116.94 118.56 1g3g h PHE 23 Ca -0.00 0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1g3g h PHE 23 Cb 0.60 -0.10 -0.01 0.00 2.56 0.00 0.00 35.95 39.00 1g3g h PHE 23 CO 0.00 0.19 0.02 0.66 -2.02 0.00 0.00 178.31 177.16 1g3g h SER 24 N 0.36 0.21 -5.79 0.41 4.64 -1.39 -3.46 113.55 108.53 1g3g h SER 24 Ca 0.12 -0.27 -0.31 0.00 -0.47 0.00 0.00 61.79 60.87 1g3g h SER 24 Cb 0.00 -0.06 -0.15 0.00 -0.31 0.00 0.00 62.40 61.89 1g3g h SER 24 CO -0.06 0.42 -0.44 1.67 -0.87 0.00 0.00 176.83 177.55 1g3g n GLN 25 N -4.81 -2.30 -1.85 4.77 7.27 -1.14 -4.82 117.38 114.50 1g3g n GLN 25 Ca -0.05 0.18 -0.42 0.00 0.07 0.00 0.00 57.00 56.78 1g3g n GLN 25 Cb 0.18 -4.76 -0.03 0.00 2.41 0.00 0.00 30.24 28.04 1g3g n GLN 25 CO 0.00 0.00 0.00 -2.00 0.07 0.00 0.00 177.06 175.13 1g3g s GLU 26 N -5.98 4.18 -0.05 3.69 2.12 -1.26 -5.00 118.70 116.39 1g3g s GLU 26 Ca 0.37 2.46 0.01 0.00 0.36 0.00 0.00 54.97 58.18 1g3g s GLU 26 Cb -0.21 -3.11 -0.03 0.00 0.26 0.00 0.00 34.13 31.04 1g3g s GLU 26 CO 0.46 -0.64 -0.07 -1.14 -0.54 0.00 0.00 175.26 173.33 1g3g s GLN 27 N 0.77 2.71 0.11 4.30 0.74 -1.26 -5.11 119.66 121.93 1g3g s GLN 27 Ca 0.70 -0.58 -0.22 0.00 0.05 0.00 0.00 55.36 55.30 1g3g s GLN 27 Cb -0.46 -2.58 -0.07 0.00 1.10 0.00 0.00 33.01 31.00 1g3g s GLN 27 CO 0.35 0.65 0.68 0.42 -0.55 0.00 0.00 175.29 176.84 1g3g s ILE 28 N -0.85 4.57 0.00 -2.34 -1.09 -1.26 -3.90 121.20 116.32 1g3g s ILE 28 Ca 0.13 1.47 0.00 0.00 -2.23 0.00 0.00 60.65 60.02 1g3g s ILE 28 Cb -0.11 -4.02 0.00 0.00 -1.58 0.00 0.00 42.46 36.75 1g3g s ILE 28 CO 0.03 0.53 0.00 0.61 -1.23 0.00 0.00 174.94 174.88 1g3g n GLY 29 N 1.71 3.06 0.15 6.18 0.00 -1.26 -4.87 105.19 110.16 1g3g n GLY 29 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 46.02 45.99 1g3g n GLY 29 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1g3g h GLU 30 N 1.47 0.00 0.00 1.61 4.57 -1.98 -3.26 114.58 117.00 1g3g h GLU 30 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1g3g h GLU 30 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1g3g h GLU 30 CO 0.00 0.38 -1.01 0.09 -1.18 0.00 0.00 179.01 177.29 1g3g n ASN 31 N -3.18 1.34 -4.58 1.04 5.03 -1.26 -4.46 115.26 109.19 1g3g n ASN 31 Ca 0.02 -0.41 -0.42 0.00 0.87 0.00 0.00 54.58 54.64 1g3g n ASN 31 Cb 0.69 1.26 -0.03 0.00 -1.02 0.00 0.00 39.78 40.68 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 -2.44 3.68 0.12 2.41 -1.09 -1.23 -2.60 121.20 120.04 1g3g s ILE 32 Ca 0.00 0.62 -0.23 0.00 -2.23 0.00 0.00 60.65 58.81 1g3g s ILE 32 Cb 0.08 -4.15 -0.05 0.00 -1.58 0.00 0.00 42.46 36.77 1g3g s ILE 32 CO 0.49 -0.88 1.34 0.55 -1.23 0.00 0.00 174.94 175.21 1g3g n VAL 33 N 7.08 -0.50 -3.66 2.92 3.14 -0.90 -4.76 118.33 121.65 1g3g n VAL 33 Ca 0.17 2.09 -0.06 0.00 -2.96 0.00 0.00 64.34 63.58 1g3g n VAL 33 Cb 0.49 -2.61 -0.02 0.00 -1.06 0.00 0.00 33.84 30.64 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 -3.32 2.91 -0.25 0.00 3.52 0.17 0.17 118.95 122.15 1g3g s ARG 35 Ca 0.09 -0.82 -0.13 0.00 -0.13 0.00 0.00 55.73 54.73 1g3g s ARG 35 Cb -0.02 -2.29 -0.04 0.00 -1.56 0.00 0.00 34.95 31.04 1g3g s ARG 35 CO -0.02 0.07 0.30 0.08 -0.81 0.00 0.00 175.30 174.91 1g3g s VAL 36 N 0.62 5.24 -0.25 7.11 1.01 0.16 0.16 120.40 134.46 1g3g s VAL 36 Ca -0.12 0.43 0.01 0.00 0.00 0.00 0.00 61.98 62.30 1g3g s VAL 36 Cb -0.17 -3.63 0.06 0.00 0.00 0.00 0.00 36.38 32.65 1g3g s VAL 36 CO 0.03 0.23 -0.04 -0.63 0.00 0.00 0.00 175.10 174.69 1g3g s ILE 37 N 1.67 1.58 -0.72 2.22 1.01 0.38 -0.79 121.20 126.55 1g3g s ILE 37 Ca 0.13 -1.32 -0.27 0.00 0.00 0.00 0.00 60.65 59.19 1g3g s ILE 37 Cb -0.15 -1.87 0.02 0.00 0.01 0.00 0.00 42.46 40.47 1g3g s ILE 37 CO 0.09 -0.15 1.38 0.00 0.00 0.00 0.00 174.94 176.26 1g3g h THR 39 N 6.19 1.32 -0.71 0.00 1.03 -1.90 -3.01 112.91 115.82 1g3g h THR 39 Ca -0.27 -1.63 0.21 0.00 -0.01 0.00 0.00 66.41 64.70 1g3g h THR 39 Cb 1.07 1.73 -0.03 0.00 -1.07 0.00 0.00 68.15 69.85 1g3g h THR 39 CO 1.27 0.49 0.54 0.74 -0.01 0.00 0.00 175.52 178.55 1g3g h THR 40 N 0.25 0.58 -0.94 0.00 2.02 -1.89 -3.46 112.91 109.47 1g3g h THR 40 Ca 0.02 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.20 1g3g h THR 40 Cb 0.90 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1g3g h THR 40 CO 0.07 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.57 1g3g n GLY 41 N -1.66 0.48 0.00 2.16 0.00 -1.14 -4.98 105.19 100.05 1g3g n GLY 41 Ca 0.14 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -0.47 2.22 -4.70 1.61 1.13 -1.26 -5.05 117.38 110.85 1g3g n GLN 42 Ca 0.00 0.00 -0.26 0.00 -1.94 0.00 0.00 57.00 54.80 1g3g n GLN 42 Cb 0.24 -0.84 -0.16 0.00 0.11 0.00 0.00 30.24 29.59 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.44 0.00 0.00 177.06 176.04 1g3g s ILE 43 N -1.67 1.28 0.56 5.09 1.01 -1.26 -5.13 121.20 121.08 1g3g s ILE 43 Ca 0.00 -0.58 -0.21 0.00 0.00 0.00 0.00 60.65 59.86 1g3g s ILE 43 Cb 0.00 -1.14 -0.04 0.00 0.01 0.00 0.00 42.46 41.28 1g3g s ILE 43 CO 0.00 0.38 1.35 -2.65 0.00 0.00 0.00 174.94 174.03 1g3g n PRO 44 N 3.64 1.61 -1.63 2.79 -0.02 -1.26 -4.10 135.00 136.04 1g3g n PRO 44 Ca -0.21 0.60 -0.48 0.00 -2.02 0.00 0.00 63.50 61.39 1g3g n PRO 44 Cb 0.52 -2.58 -0.04 0.00 -0.02 0.00 0.00 33.50 31.39 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 -1.17 0.62 -4.78 4.25 5.41 -1.26 -4.78 119.36 117.65 1g3g n ILE 45 Ca 0.11 -0.16 -0.27 0.00 1.00 0.00 0.00 62.75 63.44 1g3g n ILE 45 Cb 0.45 -1.16 -0.17 0.00 -0.71 0.00 0.00 39.64 38.06 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 -0.04 2.02 -0.27 0.38 6.06 0.03 -5.02 118.95 122.10 1g3g s ARG 46 Ca 0.74 -0.56 -0.14 0.00 -2.50 0.00 0.00 55.73 53.27 1g3g s ARG 46 Cb -0.77 -1.64 -0.04 0.00 0.06 0.00 0.00 34.95 32.56 1g3g s ARG 46 CO 0.48 0.11 0.35 -0.51 -2.50 0.00 0.00 175.30 173.24 1g3g s ASP 47 N 0.45 6.23 -0.32 -2.12 1.01 -1.26 0.38 116.67 121.04 1g3g s ASP 47 Ca -0.13 0.25 -0.15 0.00 0.71 0.00 0.00 52.55 53.23 1g3g s ASP 47 Cb -0.15 -2.20 -0.02 0.00 1.01 0.00 0.00 42.92 41.56 1g3g s ASP 47 CO 0.05 -0.17 0.38 -0.76 0.21 0.00 0.00 175.17 174.87 1g3g s LEU 48 N 2.04 4.28 0.30 1.23 1.02 0.45 -4.95 118.68 123.04 1g3g s LEU 48 Ca 0.14 -0.03 0.09 0.00 0.02 0.00 0.00 54.13 54.35 1g3g s LEU 48 Cb -0.16 -2.39 -0.04 0.00 0.02 0.00 0.00 46.19 43.62 1g3g s LEU 48 CO 0.10 -0.29 0.06 -0.44 0.02 0.00 0.00 176.35 175.80 1g3g s SER 49 N 1.71 4.63 0.29 2.29 0.01 -1.26 0.10 113.70 121.47 1g3g s SER 49 Ca 0.13 -0.69 0.06 0.00 1.31 0.00 0.00 55.95 56.76 1g3g s SER 49 Cb -0.16 -0.82 -0.06 0.00 0.21 0.00 0.00 66.02 65.19 1g3g s SER 49 CO 0.11 -0.13 -0.03 0.00 0.41 0.00 0.00 173.24 173.60 1g3g s ALA 50 N -2.36 2.37 -0.94 1.44 0.00 -1.07 -4.46 121.76 116.73 1g3g s ALA 50 Ca 0.34 -1.94 -0.03 0.00 0.00 0.00 0.00 51.96 50.33 1g3g s ALA 50 Cb -0.05 0.27 0.24 0.00 0.00 0.00 0.00 23.12 23.59 1g3g s ALA 50 CO 0.21 -0.12 0.91 -0.25 0.00 0.00 0.00 175.76 176.51 1g3g n ASP 51 N -0.61 4.63 -0.11 0.00 9.92 -1.26 -4.69 116.55 124.43 1g3g n ASP 51 Ca -0.05 -3.16 -0.10 0.00 -0.53 0.00 0.00 54.79 50.95 1g3g n ASP 51 Cb 0.64 -1.11 -0.02 0.00 -0.64 0.00 0.00 41.12 39.99 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 3.85 1.21 -0.66 0.53 2.04 -1.98 -1.75 117.51 120.75 1g3g h ILE 52 Ca 0.17 -0.68 -0.01 0.00 1.00 0.00 0.00 64.86 65.34 1g3g h ILE 52 Cb 0.79 1.02 -0.03 0.00 -0.74 0.00 0.00 36.82 37.86 1g3g h ILE 52 CO 0.93 0.23 0.36 -1.28 0.00 0.00 0.00 178.15 178.39 1g3g h SER 53 N 0.39 0.81 -0.45 1.72 0.87 -1.98 0.22 113.55 115.13 1g3g h SER 53 Ca 0.11 -0.06 -0.13 0.00 -1.23 0.00 0.00 61.79 60.47 1g3g h SER 53 Cb 0.25 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.00 1g3g h SER 53 CO -0.00 0.65 -0.24 1.56 -0.53 0.00 0.00 176.83 178.27 1g3g h GLN 54 N 0.92 0.96 -0.10 2.24 1.08 -1.84 -1.90 115.11 116.46 1g3g h GLN 54 Ca 0.23 -0.43 -0.22 0.00 -1.45 0.00 0.00 58.65 56.78 1g3g h GLN 54 Cb 0.02 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.44 1g3g h GLN 54 CO -0.04 1.09 -0.82 0.28 -0.95 0.00 0.00 178.83 178.39 1g3g h VAL 55 N 0.80 1.31 -0.60 -0.54 2.07 -0.84 1.00 116.25 119.44 1g3g h VAL 55 Ca 0.10 -2.09 -0.07 0.00 0.82 0.00 0.00 66.70 65.46 1g3g h VAL 55 Cb 0.82 2.11 -0.02 0.00 -1.52 0.00 0.00 31.29 32.67 1g3g h VAL 55 CO 0.07 0.65 0.11 0.25 0.02 0.00 0.00 177.57 178.67 1g3g h LEU 56 N 0.43 0.95 0.08 2.57 7.12 -0.56 -3.30 115.31 122.59 1g3g h LEU 56 Ca -0.06 -0.25 -0.32 0.00 0.13 0.00 0.00 57.88 57.37 1g3g h LEU 56 Cb 1.44 -0.25 -0.03 0.00 -0.53 0.00 0.00 40.66 41.30 1g3g h LEU 56 CO 0.16 0.96 -1.78 1.17 -0.13 0.00 0.00 178.44 178.81 1g3g n LYS 57 N -4.31 0.69 -4.28 1.25 0.00 -0.72 -4.97 118.16 105.81 1g3g n LYS 57 Ca 0.03 0.37 -0.24 0.00 0.00 0.00 0.00 58.31 58.47 1g3g n LYS 57 Cb 0.27 -1.71 -0.08 0.00 0.00 0.00 0.00 35.03 33.51 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 -2.49 2.17 -0.06 1.64 2.02 0.34 -5.05 118.70 117.27 1g3g s GLU 58 Ca -0.25 -1.63 0.22 0.00 0.02 0.00 0.00 54.97 53.32 1g3g s GLU 58 Cb 0.07 -2.02 0.43 0.00 0.10 0.00 0.00 34.13 32.71 1g3g s GLU 58 CO 0.70 0.19 1.18 0.36 0.02 0.00 0.00 175.26 177.70 1g3g n LYS 59 N -0.96 0.47 -0.05 1.61 2.85 -1.26 -3.42 118.16 117.40 1g3g n LYS 59 Ca -0.04 -2.38 -0.16 0.00 -1.05 0.00 0.00 58.31 54.67 1g3g n LYS 59 Cb 0.61 -0.46 -0.14 0.00 -0.65 0.00 0.00 35.03 34.40 1g3g n LYS 59 CO 0.00 0.00 0.00 -2.13 -0.05 0.00 0.00 177.40 175.22 1g3g n ARG 60 N 0.08 0.69 0.00 -1.58 3.00 -1.26 -4.84 116.66 112.76 1g3g n ARG 60 Ca 0.09 0.19 0.00 0.00 -0.00 0.00 0.00 57.85 58.14 1g3g n ARG 60 Cb 1.03 -1.65 0.00 0.00 0.00 0.00 0.00 32.46 31.85 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.63 176.50 1g3g n SER 61 N -3.21 0.00 -4.42 6.15 3.41 -1.26 -4.86 113.62 109.43 1g3g n SER 61 Ca -0.33 0.00 -0.38 0.00 -0.26 0.00 0.00 58.87 57.90 1g3g n SER 61 Cb 1.05 0.00 -0.07 0.00 -0.26 0.00 0.00 64.21 64.93 1g3g n SER 61 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1g3g n ILE 62 N 0.00 -0.52 -2.79 -1.33 0.13 -1.26 -4.85 119.36 108.74 1g3g n ILE 62 Ca 0.00 -0.14 -0.06 0.00 -1.10 0.00 0.00 62.75 61.45 1g3g n ILE 62 Cb 0.00 -0.89 0.01 0.00 -0.84 0.00 0.00 39.64 37.93 1g3g n ILE 62 CO 0.00 0.00 0.00 1.17 2.80 0.00 0.00 176.55 180.52 1g3g n LYS 63 N -4.25 0.58 -4.94 9.51 4.81 -1.26 -4.58 118.16 118.04 1g3g n LYS 63 Ca -0.01 -2.03 -0.33 0.00 -0.87 0.00 0.00 58.31 55.08 1g3g n LYS 63 Cb 0.52 -1.47 -0.14 0.00 0.02 0.00 0.00 35.03 33.96 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 0.78 2.54 -0.01 1.64 2.20 -1.11 -4.98 119.74 120.80 1g3g s LYS 64 Ca 0.31 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.20 1g3g s LYS 64 Cb 0.05 -2.36 0.01 0.00 -1.51 0.00 0.00 37.83 34.02 1g3g s LYS 64 CO -0.10 0.57 -0.03 0.08 -0.36 0.00 0.00 175.35 175.51 1g3g s VAL 65 N -0.60 0.32 -0.11 4.02 1.01 -1.26 0.82 120.40 124.61 1g3g s VAL 65 Ca 0.09 -0.12 -0.06 0.00 0.00 0.00 0.00 61.98 61.88 1g3g s VAL 65 Cb -0.11 -0.31 -0.04 0.00 0.00 0.00 0.00 36.38 35.92 1g3g s VAL 65 CO 0.01 0.12 0.14 0.26 0.00 0.00 0.00 175.10 175.63 1g3g s TRP 66 N 0.23 3.58 -0.07 5.22 0.51 0.56 -4.89 118.94 124.08 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 -1.92 0.01 0.00 -0.81 0.00 0.00 33.47 30.70 1g3g s TRP 66 CO -0.00 0.72 -0.11 0.99 -0.51 0.00 0.00 176.95 178.04 1g3g s THR 67 N -1.06 1.08 -0.28 2.01 2.01 -1.26 0.19 115.64 118.34 1g3g s THR 67 Ca 0.16 -0.44 -0.09 0.00 0.31 0.00 0.00 61.69 61.63 1g3g s THR 67 Cb -0.12 -1.00 -0.03 0.00 0.01 0.00 0.00 72.50 71.36 1g3g s THR 67 CO 0.05 0.35 0.14 -0.36 -0.69 0.00 0.00 174.62 174.11 1g3g s PHE 68 N 0.73 3.16 -5.00 4.92 0.40 0.34 0.25 117.98 122.78 1g3g s PHE 68 Ca -0.13 -0.28 0.00 0.00 -0.60 0.00 0.00 56.93 55.92 1g3g s PHE 68 Cb -0.16 -2.32 0.00 0.00 0.51 0.00 0.00 43.02 41.05 1g3g s PHE 68 CO 0.03 -0.32 0.00 0.41 0.70 0.00 0.00 175.22 176.04 1g3g n GLY 69 N 4.99 -0.29 3.56 4.36 0.00 -1.22 -0.45 105.19 116.14 1g3g n GLY 69 Ca -0.15 -1.06 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 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 3.08 0.10 1.61 0.52 -1.25 -3.85 118.95 117.16 1g3g s ARG 70 Ca 0.00 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 54.51 1g3g s ARG 70 Cb 0.00 -5.05 0.02 0.00 0.52 0.00 0.00 34.95 30.44 1g3g s ARG 70 CO 0.00 -2.69 0.29 -0.80 0.02 0.00 0.00 175.30 172.12 1g3g s ASN 71 N 6.28 -0.05 0.00 0.23 -0.87 -1.26 -4.69 114.94 114.57 1g3g s ASN 71 Ca 0.56 -0.46 0.07 0.00 -1.57 0.00 0.00 52.86 51.45 1g3g s ASN 71 Cb -0.04 0.40 0.32 0.00 -0.02 0.00 0.00 41.25 41.90 1g3g s ASN 71 CO -0.01 -0.77 1.11 -0.81 -2.57 0.00 0.00 177.10 174.05 1g3g n PRO 72 N -0.05 0.06 0.00 -0.60 -0.04 -1.26 -4.18 135.00 128.93 1g3g n PRO 72 Ca -0.16 0.28 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 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 -1.35 0.00 -0.01 0.55 0.00 -1.26 -4.39 120.51 114.04 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 -2.36 1.95 -3.85 0.00 2.03 0.69 -4.56 116.55 110.46 1g3g n ASP 75 Ca 0.00 0.29 -0.12 0.00 0.52 0.00 0.00 54.79 55.48 1g3g n ASP 75 Cb 0.00 -0.82 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 -1.92 0.00 0.00 177.20 174.81 1g3g s TYR 76 N -2.47 -0.07 -0.47 -0.67 5.04 -1.17 -4.91 117.35 112.63 1g3g s TYR 76 Ca -0.33 0.19 -0.18 0.00 -2.44 0.00 0.00 57.07 54.30 1g3g s TYR 76 Cb 0.10 0.01 0.05 0.00 0.35 0.00 0.00 41.96 42.47 1g3g s TYR 76 CO 0.57 -0.10 0.51 -1.58 -1.34 0.00 0.00 175.55 173.62 1g3g s HIS 77 N -0.23 3.13 0.44 4.97 5.65 -1.26 -3.97 115.29 124.02 1g3g s HIS 77 Ca -0.03 -0.53 0.04 0.00 0.25 0.00 0.00 55.06 54.79 1g3g s HIS 77 Cb -0.02 -3.23 -0.05 0.00 -1.18 0.00 0.00 32.58 28.10 1g3g s HIS 77 CO 0.00 -0.86 0.02 -0.48 -0.65 0.00 0.00 174.74 172.77 1g3g s LEU 78 N 2.27 2.54 0.00 8.88 2.34 -1.25 -4.91 118.68 128.56 1g3g s LEU 78 Ca 0.12 -1.50 -0.07 0.00 0.06 0.00 0.00 54.13 52.74 1g3g s LEU 78 Cb -0.19 -0.75 0.11 0.00 -0.56 0.00 0.00 46.19 44.80 1g3g s LEU 78 CO 0.12 -0.65 0.25 0.61 -1.06 0.00 0.00 176.35 175.62 1g3g n GLY 79 N -1.06 -3.23 3.13 -3.48 0.00 -1.26 -4.67 105.19 94.63 1g3g n GLY 79 Ca -0.10 -1.06 -0.37 0.00 0.00 0.00 0.00 46.02 44.49 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 -2.16 5.35 -0.26 1.61 2.20 -1.26 -4.56 114.94 115.85 1g3g s ASN 80 Ca 0.19 -2.15 -0.02 0.00 -0.94 0.00 0.00 52.86 49.94 1g3g s ASN 80 Cb -0.03 -1.87 0.03 0.00 -2.00 0.00 0.00 41.25 37.38 1g3g s ASN 80 CO 0.16 -0.54 -0.04 -0.63 -2.94 0.00 0.00 177.10 173.11 1g3g s ILE 81 N 0.97 2.93 0.61 0.54 1.01 -1.26 -4.98 121.20 121.02 1g3g s ILE 81 Ca 0.09 -1.11 0.30 0.00 0.00 0.00 0.00 60.65 59.93 1g3g s ILE 81 Cb -0.23 -2.54 0.36 0.00 0.01 0.00 0.00 42.46 40.06 1g3g s ILE 81 CO -0.04 0.11 2.06 0.28 0.00 0.00 0.00 174.94 177.35 1g3g h SER 82 N 8.01 0.00 0.00 3.58 0.02 -2.00 -3.14 113.55 120.03 1g3g h SER 82 Ca -0.29 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.66 1g3g h SER 82 Cb 1.10 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.64 1g3g h SER 82 CO 0.56 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.79 1g3g n ARG 83 N -3.59 0.00 -3.75 3.45 1.74 -1.26 -4.95 116.66 108.30 1g3g n ARG 83 Ca 0.02 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.72 1g3g n ARG 83 Cb 0.38 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.69 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.51 -1.52 0.00 0.00 177.63 175.60 1g3g s LEU 84 N 0.00 4.20 0.00 0.55 1.43 -1.26 -4.53 118.68 119.07 1g3g s LEU 84 Ca 0.00 -1.04 0.00 0.00 -1.03 0.00 0.00 54.13 52.06 1g3g s LEU 84 Cb 0.00 -1.87 0.00 0.00 0.03 0.00 0.00 46.19 44.35 1g3g s LEU 84 CO 0.00 -0.29 0.00 -1.20 0.23 0.00 0.00 176.35 175.09 1g3g n SER 85 N 4.83 0.00 -3.83 2.29 7.64 -1.26 -4.92 113.62 118.36 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 -3.92 6.43 3.02 -1.19 -3.66 115.26 115.95 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 -0.05 0.00 -0.61 0.00 0.00 39.78 39.12 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 -1.26 -3.44 118.16 122.06 1g3g n LYS 87 Ca 0.00 -0.51 0.11 0.00 -2.02 0.00 0.00 58.31 55.89 1g3g n LYS 87 Cb 0.00 -1.82 -0.03 0.00 -0.02 0.00 0.00 35.03 33.17 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 7.34 0.46 -3.61 2.13 -0.00 0.41 -4.35 115.22 117.60 1g3g n HIS 88 Ca 0.19 0.13 -0.04 0.00 0.46 0.00 0.00 57.72 58.47 1g3g n HIS 88 Cb 0.37 -0.64 -0.03 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 -3.33 -0.12 0.09 1.57 5.36 0.18 -2.72 117.98 119.02 1g3g s PHE 89 Ca -0.00 0.14 0.01 0.00 -0.96 0.00 0.00 56.93 56.11 1g3g s PHE 89 Cb 0.13 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.26 1g3g s PHE 89 CO 0.82 -0.16 -0.04 -0.65 -1.46 0.00 0.00 175.22 173.74 1g3g s GLN 90 N -1.79 0.80 -0.05 10.12 -0.21 0.31 0.13 119.66 128.96 1g3g s GLN 90 Ca 0.08 -1.33 0.03 0.00 0.02 0.00 0.00 55.36 54.16 1g3g s GLN 90 Cb -0.01 -0.03 0.01 0.00 1.00 0.00 0.00 33.01 33.97 1g3g s GLN 90 CO -0.05 -0.08 -0.13 0.42 -2.12 0.00 0.00 175.29 173.33 1g3g s ILE 91 N -3.76 1.17 0.03 1.08 1.01 0.51 0.11 121.20 121.35 1g3g s ILE 91 Ca 0.13 -0.53 0.03 0.00 0.00 0.00 0.00 60.65 60.28 1g3g s ILE 91 Cb 0.06 -1.05 -0.04 0.00 0.01 0.00 0.00 42.46 41.45 1g3g s ILE 91 CO -0.05 0.36 -0.03 -0.76 0.00 0.00 0.00 174.94 174.46 1g3g s LEU 92 N 0.42 3.35 -0.11 2.97 1.43 0.45 0.21 118.68 127.39 1g3g s LEU 92 Ca -0.10 -0.12 0.01 0.00 -1.03 0.00 0.00 54.13 52.89 1g3g s LEU 92 Cb -0.14 -1.97 0.02 0.00 0.03 0.00 0.00 46.19 44.13 1g3g s LEU 92 CO 0.03 0.25 -0.14 -0.22 0.23 0.00 0.00 176.35 176.50 1g3g s LEU 93 N -1.73 1.65 0.00 1.79 1.98 0.24 0.12 118.68 122.73 1g3g s LEU 93 Ca 0.20 -0.41 0.00 0.00 -2.89 0.00 0.00 54.13 51.03 1g3g s LEU 93 Cb -0.11 -1.05 0.00 0.00 0.66 0.00 0.00 46.19 45.69 1g3g s LEU 93 CO 0.11 -0.01 0.00 0.61 -1.89 0.00 0.00 176.35 175.18 1g3g n GLY 94 N 4.32 0.29 5.02 7.98 0.00 -1.18 -2.76 105.19 118.87 1g3g n GLY 94 Ca -0.18 -1.30 0.00 0.00 0.00 0.00 0.00 46.02 44.54 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 0.00 -2.80 1.61 4.07 -1.26 -3.12 120.64 119.14 1g3g n GLU 95 Ca 0.00 0.00 -0.11 0.00 -0.06 0.00 0.00 57.16 56.99 1g3g n GLU 95 Cb 0.00 0.00 0.03 0.00 -0.06 0.00 0.00 31.44 31.41 1g3g n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.06 0.00 0.00 177.13 173.60 1g3g n ASP 96 N 1.59 0.74 0.00 4.31 2.03 -1.26 -5.01 116.55 118.96 1g3g n ASP 96 Ca 0.00 -2.80 0.00 0.00 0.52 0.00 0.00 54.79 52.51 1g3g n ASP 96 Cb 0.00 -0.27 0.00 0.00 -0.72 0.00 0.00 41.12 40.13 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 -0.02 1.38 0.09 0.27 0.00 -1.18 -4.90 105.19 100.82 1g3g n GLY 97 Ca 0.11 -0.03 -0.01 0.00 0.00 0.00 0.00 46.02 46.10 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 3.59 -1.83 -4.80 1.61 4.05 -1.26 -4.53 115.26 112.10 1g3g n ASN 98 Ca 0.00 -0.02 -0.22 0.00 0.45 0.00 0.00 54.58 54.79 1g3g n ASN 98 Cb 0.00 -0.03 -0.05 0.00 1.23 0.00 0.00 39.78 40.94 1g3g n ASN 98 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 177.26 173.45 1g3g s LEU 99 N 0.00 3.72 0.05 1.20 1.02 -1.26 -3.11 118.68 120.31 1g3g s LEU 99 Ca 0.02 -0.31 0.04 0.00 0.02 0.00 0.00 54.13 53.90 1g3g s LEU 99 Cb -0.00 -2.25 -0.03 0.00 0.02 0.00 0.00 46.19 43.93 1g3g s LEU 99 CO 0.01 -0.03 -0.13 -0.76 0.02 0.00 0.00 176.35 175.47 1g3g s LEU 100 N -3.81 2.23 -0.12 1.79 1.02 0.32 -0.09 118.68 120.02 1g3g s LEU 100 Ca 0.33 -0.54 0.02 0.00 0.02 0.00 0.00 54.13 53.96 1g3g s LEU 100 Cb -0.08 -0.47 -0.00 0.00 0.02 0.00 0.00 46.19 45.66 1g3g s LEU 100 CO 0.24 -0.06 -0.20 -0.76 0.02 0.00 0.00 176.35 175.59 1g3g s LEU 101 N -1.47 2.28 -0.31 1.79 1.43 0.36 0.17 118.68 122.93 1g3g s LEU 101 Ca -0.02 -0.50 -0.05 0.00 -1.03 0.00 0.00 54.13 52.53 1g3g s LEU 101 Cb -0.09 -1.48 0.04 0.00 0.03 0.00 0.00 46.19 44.69 1g3g s LEU 101 CO 0.02 0.14 0.06 0.21 0.23 0.00 0.00 176.35 177.00 1g3g s ASN 102 N 0.46 5.07 -0.43 2.29 2.47 0.30 0.20 114.94 125.31 1g3g s ASN 102 Ca -0.14 -1.07 -0.25 0.00 0.42 0.00 0.00 52.86 51.82 1g3g s ASN 102 Cb -0.17 -1.81 0.02 0.00 -1.45 0.00 0.00 41.25 37.84 1g3g s ASN 102 CO 0.06 -0.27 0.88 -1.81 -3.72 0.00 0.00 177.10 172.24 1g3g s ASP 103 N 1.37 6.53 -0.27 -4.21 1.01 -1.23 0.11 116.67 119.98 1g3g s ASP 103 Ca -0.02 0.21 0.02 0.00 0.71 0.00 0.00 52.55 53.47 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 0.01 -0.94 -0.05 0.27 0.21 0.00 0.00 175.17 174.67 1g3g s ILE 104 N 3.52 1.86 0.22 0.77 -4.36 -1.23 0.14 121.20 122.12 1g3g s ILE 104 Ca 0.35 -1.59 0.02 0.00 -0.26 0.00 0.00 60.65 59.17 1g3g s ILE 104 Cb -0.11 -2.13 -0.05 0.00 1.25 0.00 0.00 42.46 41.42 1g3g s ILE 104 CO 0.23 -0.20 0.04 -0.44 0.24 0.00 0.00 174.94 174.81 1g3g s SER 105 N 1.21 1.29 -0.01 4.36 0.01 -1.10 0.52 113.70 119.97 1g3g s SER 105 Ca -0.03 -1.27 -0.15 0.00 1.31 0.00 0.00 55.95 55.82 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 -0.63 0.76 0.74 0.41 0.00 0.00 173.24 174.45 1g3g h THR 106 N 2.53 0.00 0.00 1.44 2.02 -1.83 -3.43 112.91 113.65 1g3g h THR 106 Ca -0.38 -0.33 -0.15 0.00 0.77 0.00 0.00 66.41 66.32 1g3g h THR 106 Cb 1.22 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.61 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 -4.35 3.08 -3.72 4.18 0.23 -1.26 -5.05 115.26 108.37 1g3g n ASN 107 Ca -0.07 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.84 1g3g n ASN 107 Cb 0.21 0.45 -0.13 0.00 -2.08 0.00 0.00 39.78 38.23 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 -4.27 -0.13 -0.03 4.83 0.00 -1.26 -5.04 107.32 101.43 1g3g s GLY 108 Ca -0.07 0.96 0.07 0.00 0.00 0.00 0.00 44.72 45.68 1g3g s GLY 108 CO 0.30 1.38 -0.24 -1.59 0.00 0.00 0.00 173.10 172.96 1g3g s THR 109 N 1.49 1.91 0.11 0.90 2.01 -1.26 -4.01 115.64 116.79 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 -0.11 -1.60 -0.04 0.00 0.01 0.00 0.00 72.50 70.77 1g3g s THR 109 CO -0.08 0.54 -0.25 0.26 -0.69 0.00 0.00 174.62 174.39 1g3g s TRP 110 N -0.41 2.18 -0.24 4.92 0.51 0.51 -0.57 118.94 125.85 1g3g s TRP 110 Ca 0.05 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1g3g s TRP 110 Cb -0.11 -1.21 0.05 0.00 -0.81 0.00 0.00 33.47 31.40 1g3g s TRP 110 CO 0.01 0.27 -0.11 -1.17 -0.51 0.00 0.00 176.95 175.43 1g3g s LEU 111 N -1.86 2.95 -1.65 2.99 2.96 -0.44 0.14 118.68 123.77 1g3g s LEU 111 Ca 0.12 -1.18 -0.12 0.00 -0.22 0.00 0.00 54.13 52.73 1g3g s LEU 111 Cb -0.10 -1.43 0.11 0.00 0.50 0.00 0.00 46.19 45.27 1g3g s LEU 111 CO 0.05 -0.17 0.49 0.59 -1.32 0.00 0.00 176.35 175.99 1g3g n ASN 112 N 4.53 -1.36 0.00 3.68 3.02 0.67 0.16 115.26 125.97 1g3g n ASN 112 Ca -0.15 -1.13 0.00 0.00 -0.03 0.00 0.00 54.58 53.28 1g3g n ASN 112 Cb 0.44 -2.29 0.00 0.00 -0.61 0.00 0.00 39.78 37.32 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 -1.72 0.38 2.56 7.41 0.00 -1.26 -5.02 105.19 107.54 1g3g n GLY 113 Ca -0.09 -0.99 -0.29 0.00 0.00 0.00 0.00 46.02 44.65 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 -3.02 0.48 0.15 1.61 -0.21 0.12 -5.12 119.66 113.68 1g3g s GLN 114 Ca 0.00 -1.00 -0.33 0.00 0.02 0.00 0.00 55.36 54.05 1g3g s GLN 114 Cb 0.00 -1.44 -0.17 0.00 1.00 0.00 0.00 33.01 32.40 1g3g s GLN 114 CO 0.00 -1.09 1.05 1.17 -2.12 0.00 0.00 175.29 174.30 1g3g n LYS 115 N 4.66 0.77 -4.16 2.91 4.81 -1.26 -1.32 118.16 124.57 1g3g n LYS 115 Ca 0.02 0.28 -0.24 0.00 -0.87 0.00 0.00 58.31 57.49 1g3g n LYS 115 Cb 0.40 -1.70 -0.06 0.00 0.02 0.00 0.00 35.03 33.69 1g3g n LYS 115 CO 0.00 0.00 0.00 1.33 1.17 0.00 0.00 177.40 179.90 1g3g n VAL 116 N 1.25 0.00 -3.09 3.15 0.24 0.27 -4.83 118.33 115.32 1g3g n VAL 116 Ca 0.16 -2.05 -0.38 0.00 -2.04 0.00 0.00 64.34 60.04 1g3g n VAL 116 Cb 0.22 0.59 -0.06 0.00 -1.47 0.00 0.00 33.84 33.12 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 -3.43 4.35 0.94 7.34 2.56 -1.26 -4.43 118.70 124.76 1g3g s GLU 117 Ca 0.10 0.94 -0.11 0.00 0.00 0.00 0.00 54.97 55.90 1g3g s GLU 117 Cb 0.00 -3.08 0.16 0.00 2.00 0.00 0.00 34.13 33.21 1g3g s GLU 117 CO 0.07 0.50 1.10 0.21 -0.56 0.00 0.00 175.26 176.58 1g3g s LYS 118 N -1.52 0.87 -1.38 4.30 2.20 -1.26 -3.04 119.74 119.91 1g3g s LYS 118 Ca 0.38 1.16 -0.18 0.00 -0.36 0.00 0.00 55.97 56.97 1g3g s LYS 118 Cb -0.19 -1.74 0.18 0.00 -1.51 0.00 0.00 37.83 34.56 1g3g s LYS 118 CO 0.22 -2.60 0.44 0.27 -0.36 0.00 0.00 175.35 173.32 1g3g n ASN 119 N -4.17 -1.38 -4.22 1.43 0.23 0.38 -4.85 115.26 102.68 1g3g n ASN 119 Ca 0.08 -0.90 -0.37 0.00 -0.53 0.00 0.00 54.58 52.86 1g3g n ASN 119 Cb 0.53 -1.21 -0.12 0.00 -2.08 0.00 0.00 39.78 36.91 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 -2.67 5.28 0.38 0.53 1.04 -1.17 -4.91 113.70 112.17 1g3g s SER 120 Ca 0.61 -1.44 -0.27 0.00 0.48 0.00 0.00 55.95 55.34 1g3g s SER 120 Cb -0.36 -1.85 -0.11 0.00 0.10 0.00 0.00 66.02 63.80 1g3g s SER 120 CO 0.75 -0.40 1.34 0.59 0.98 0.00 0.00 173.24 176.51 1g3g n ASN 121 N 4.75 3.01 -4.17 7.02 4.13 -1.25 -3.58 115.26 125.16 1g3g n ASN 121 Ca -0.10 1.18 -0.20 0.00 1.68 0.00 0.00 54.58 57.15 1g3g n ASN 121 Cb 0.43 -1.53 -0.13 0.00 -1.54 0.00 0.00 39.78 37.01 1g3g n ASN 121 CO 0.00 0.00 0.00 -1.10 0.28 0.00 0.00 177.26 176.44 1g3g s GLN 122 N -2.05 0.92 -0.22 3.52 -1.52 0.52 -4.83 119.66 115.99 1g3g s GLN 122 Ca 0.57 -0.88 -0.29 0.00 -1.95 0.00 0.00 55.36 52.80 1g3g s GLN 122 Cb -0.52 -0.96 -0.01 0.00 -0.22 0.00 0.00 33.01 31.30 1g3g s GLN 122 CO 0.61 0.23 1.38 -1.17 -0.25 0.00 0.00 175.29 176.09 1g3g s LEU 123 N -1.46 4.01 0.40 2.90 2.96 -1.26 0.14 118.68 126.36 1g3g s LEU 123 Ca 0.01 1.51 -0.23 0.00 -0.22 0.00 0.00 54.13 55.20 1g3g s LEU 123 Cb -0.09 -3.54 -0.12 0.00 0.50 0.00 0.00 46.19 42.94 1g3g s LEU 123 CO 0.02 -1.01 0.67 -0.11 -1.32 0.00 0.00 176.35 174.61 1g3g n LEU 124 N 7.45 0.59 -4.28 -0.68 0.00 0.86 -4.85 117.00 116.09 1g3g n LEU 124 Ca 0.15 0.97 -0.21 0.00 0.00 0.00 0.00 56.01 56.92 1g3g n LEU 124 Cb 0.45 -1.17 -0.12 0.00 0.00 0.00 0.00 43.42 42.59 1g3g n LEU 124 CO 0.61 -2.49 -0.48 -0.44 0.00 0.00 0.00 177.39 174.59 1g3g s SER 125 N -0.88 2.35 -0.27 1.96 0.01 -1.26 -4.90 113.70 110.71 1g3g s SER 125 Ca 0.63 -0.78 -0.29 0.00 1.31 0.00 0.00 55.95 56.82 1g3g s SER 125 Cb -0.62 -0.12 -0.01 0.00 0.21 0.00 0.00 66.02 65.48 1g3g s SER 125 CO 0.58 -0.05 1.53 -1.10 0.41 0.00 0.00 173.24 174.61 1g3g s GLN 126 N -2.43 3.76 -1.07 12.44 -1.52 -1.26 -2.55 119.66 127.03 1g3g s GLN 126 Ca 0.10 1.45 0.00 0.00 -1.95 0.00 0.00 55.36 54.96 1g3g s GLN 126 Cb -0.07 -4.01 0.00 0.00 -0.22 0.00 0.00 33.01 28.71 1g3g s GLN 126 CO 0.05 -1.33 0.00 0.41 -0.25 0.00 0.00 175.29 174.16 1g3g n GLY 127 N 4.69 0.49 3.62 3.09 0.00 -1.23 -4.98 105.19 110.87 1g3g n GLY 127 Ca 0.18 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.02 -0.14 -3.76 1.61 2.03 -1.06 -4.67 116.55 110.55 1g3g n ASP 128 Ca -0.13 0.40 -0.13 0.00 0.52 0.00 0.00 54.79 55.46 1g3g n ASP 128 Cb 0.50 -1.43 -0.12 0.00 -0.72 0.00 0.00 41.12 39.35 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 -4.44 0.24 -0.16 -0.67 2.12 -1.26 -0.73 118.70 113.80 1g3g s GLU 129 Ca 0.65 0.42 -0.03 0.00 0.36 0.00 0.00 54.97 56.37 1g3g s GLU 129 Cb -0.23 0.02 -0.02 0.00 0.26 0.00 0.00 34.13 34.16 1g3g s GLU 129 CO 0.60 -0.09 -0.06 0.42 -0.54 0.00 0.00 175.26 175.59 1g3g s ILE 130 N 0.65 3.65 -0.02 -3.70 1.09 0.39 -0.23 121.20 123.03 1g3g s ILE 130 Ca -0.04 -0.44 -0.02 0.00 -1.10 0.00 0.00 60.65 59.05 1g3g s ILE 130 Cb -0.06 -2.60 -0.04 0.00 -1.06 0.00 0.00 42.46 38.71 1g3g s ILE 130 CO -0.04 0.49 0.11 -0.89 -0.10 0.00 0.00 174.94 174.50 1g3g s THR 131 N 0.52 4.94 0.05 2.92 2.01 0.38 0.91 115.64 127.38 1g3g s THR 131 Ca -0.04 -0.29 -0.02 0.00 0.31 0.00 0.00 61.69 61.65 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 0.03 0.38 0.01 0.68 -0.69 0.00 0.00 174.62 175.03 1g3g s VAL 132 N -1.19 0.19 -0.83 3.82 -7.23 0.44 0.19 120.40 115.79 1g3g s VAL 132 Ca 0.23 -1.54 -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 0.71 0.61 -0.31 0.00 0.00 175.10 175.40 1g3g n GLY 133 N 0.35 -0.02 3.83 2.32 0.00 -1.26 0.10 105.19 110.53 1g3g n GLY 133 Ca -0.16 -0.10 -0.32 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 4.32 0.00 1.61 1.01 -1.26 -3.76 120.40 119.10 1g3g s VAL 134 Ca 0.25 0.98 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1g3g s VAL 134 Cb -0.11 -3.62 0.00 0.00 0.00 0.00 0.00 36.38 32.65 1g3g s VAL 134 CO 0.46 -0.77 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1g3g n GLY 135 N -1.74 3.56 3.07 4.51 0.00 -1.26 -5.02 105.19 108.32 1g3g n GLY 135 Ca 0.07 -0.51 -0.26 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 1.36 0.44 1.61 1.01 -1.26 -5.02 120.40 118.54 1g3g s VAL 136 Ca 0.00 -0.61 0.21 0.00 0.00 0.00 0.00 61.98 61.58 1g3g s VAL 136 Cb 0.00 -1.21 0.41 0.00 0.00 0.00 0.00 36.38 35.57 1g3g s VAL 136 CO 0.00 0.40 1.85 1.05 0.00 0.00 0.00 175.10 178.40 1g3g h GLU 137 N 6.89 0.30 -0.35 2.72 4.11 -1.99 0.46 114.58 126.73 1g3g h GLU 137 Ca -0.28 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.13 1g3g h GLU 137 Cb 1.20 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 30.38 1g3g h GLU 137 CO 0.47 0.20 0.00 -1.13 0.07 0.00 0.00 179.01 178.62 1g3g n SER 138 N -4.47 2.60 -1.00 3.06 3.41 -1.26 -4.18 113.62 111.78 1g3g n SER 138 Ca 0.20 -1.90 0.05 0.00 -0.26 0.00 0.00 58.87 56.96 1g3g n SER 138 Cb 0.79 -0.23 0.13 0.00 -0.26 0.00 0.00 64.21 64.64 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -0.16 0.00 0.00 175.04 174.21 1g3g n ASP 139 N 0.92 1.48 -4.78 4.04 2.03 0.16 -5.05 116.55 115.35 1g3g n ASP 139 Ca 0.17 -3.13 -0.35 0.00 0.52 0.00 0.00 54.79 52.00 1g3g n ASP 139 Cb 0.45 -0.44 -0.08 0.00 -0.72 0.00 0.00 41.12 40.34 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 -1.98 4.87 -0.10 5.18 1.01 -1.11 -4.45 121.20 124.62 1g3g s ILE 140 Ca 0.36 -0.10 0.00 0.00 0.00 0.00 0.00 60.65 60.92 1g3g s ILE 140 Cb 0.38 -3.12 -0.03 0.00 0.01 0.00 0.00 42.46 39.71 1g3g s ILE 140 CO -0.11 0.56 -0.09 -0.76 0.00 0.00 0.00 174.94 174.54 1g3g s LEU 141 N -1.12 3.02 0.15 2.97 1.02 0.28 -4.96 118.68 120.04 1g3g s LEU 141 Ca 0.16 -0.14 0.10 0.00 0.02 0.00 0.00 54.13 54.27 1g3g s LEU 141 Cb -0.12 -1.67 -0.04 0.00 0.02 0.00 0.00 46.19 44.38 1g3g s LEU 141 CO 0.05 0.28 -0.18 -0.55 0.02 0.00 0.00 176.35 175.97 1g3g s SER 142 N -0.30 3.85 -0.04 2.29 0.15 -1.26 0.17 113.70 118.55 1g3g s SER 142 Ca 0.04 -0.64 0.00 0.00 0.70 0.00 0.00 55.95 56.05 1g3g s SER 142 Cb -0.13 -0.51 0.03 0.00 -1.71 0.00 0.00 66.02 63.70 1g3g s SER 142 CO 0.03 0.15 -0.01 -0.76 1.20 0.00 0.00 173.24 173.84 1g3g s LEU 143 N -2.43 1.04 -0.01 3.45 2.01 0.26 -4.11 118.68 118.90 1g3g s LEU 143 Ca 0.20 -0.07 0.08 0.00 0.01 0.00 0.00 54.13 54.35 1g3g s LEU 143 Cb -0.09 -0.34 -0.02 0.00 0.01 0.00 0.00 46.19 45.74 1g3g s LEU 143 CO 0.11 -0.11 -0.26 -0.69 1.01 0.00 0.00 176.35 176.41 1g3g s VAL 144 N 1.25 2.04 -0.15 -1.59 1.01 -0.90 0.15 120.40 122.21 1g3g s VAL 144 Ca -0.06 -1.14 -0.01 0.00 0.00 0.00 0.00 61.98 60.77 1g3g s VAL 144 Cb -0.13 -1.70 -0.01 0.00 0.00 0.00 0.00 36.38 34.53 1g3g s VAL 144 CO -0.02 0.54 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1g3g s ILE 145 N -0.63 3.02 -0.36 2.22 1.01 0.09 0.15 121.20 126.70 1g3g s ILE 145 Ca 0.10 -0.65 -0.05 0.00 0.00 0.00 0.00 60.65 60.04 1g3g s ILE 145 Cb -0.10 -2.29 0.06 0.00 0.01 0.00 0.00 42.46 40.14 1g3g s ILE 145 CO -0.01 0.51 0.13 0.12 0.00 0.00 0.00 174.94 175.69 1g3g s PHE 146 N 0.65 3.33 -0.17 3.97 2.19 0.43 -3.48 117.98 124.91 1g3g s PHE 146 Ca -0.06 -1.71 -0.09 0.00 0.33 0.00 0.00 56.93 55.39 1g3g s PHE 146 Cb -0.15 -2.55 -0.05 0.00 -1.31 0.00 0.00 43.02 38.96 1g3g s PHE 146 CO 0.02 -0.81 0.14 0.42 1.83 0.00 0.00 175.22 176.83 1g3g s ILE 147 N 1.33 5.43 0.09 3.12 1.09 -1.26 -0.66 121.20 130.34 1g3g s ILE 147 Ca 0.00 0.22 -0.28 0.00 -1.10 0.00 0.00 60.65 59.49 1g3g s ILE 147 Cb -0.21 -3.46 -0.06 0.00 -1.06 0.00 0.00 42.46 37.68 1g3g s ILE 147 CO 0.01 0.50 0.88 0.54 -0.10 0.00 0.00 174.94 176.76 1g3g s ASN 148 N -0.11 7.38 0.56 3.58 2.20 -1.26 -4.89 114.94 122.40 1g3g s ASN 148 Ca 0.11 1.65 0.32 0.00 -0.94 0.00 0.00 52.86 54.00 1g3g s ASN 148 Cb -0.11 -2.54 1.65 0.00 -2.00 0.00 0.00 41.25 38.25 1g3g s ASN 148 CO 0.00 -0.02 2.12 0.44 -2.94 0.00 0.00 177.10 176.71 1g3g h ASP 149 N 5.56 0.00 -0.81 3.54 3.32 -1.97 -2.67 116.42 123.38 1g3g h ASP 149 Ca -0.43 0.00 0.06 0.00 0.02 0.00 0.00 57.03 56.67 1g3g h ASP 149 Cb 1.21 0.00 -0.06 0.00 0.22 0.00 0.00 39.33 40.70 1g3g h ASP 149 CO 0.71 0.07 0.50 0.11 -1.72 0.00 0.00 179.24 178.91 1g3g h LYS 150 N 0.00 0.90 -0.63 3.56 1.57 -1.92 -1.79 116.57 118.25 1g3g h LYS 150 Ca -0.00 -0.05 0.02 0.00 -1.87 0.00 0.00 60.65 58.74 1g3g h LYS 150 Cb 0.29 -0.20 -0.04 0.00 0.08 0.00 0.00 32.23 32.36 1g3g h LYS 150 CO 0.01 0.59 0.40 0.35 -0.57 0.00 0.00 179.45 180.24 1g3g h PHE 151 N 0.92 0.76 -0.73 -1.35 3.57 -1.69 -1.58 116.94 116.84 1g3g h PHE 151 Ca 0.35 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.89 1g3g h PHE 151 Cb 0.15 -0.25 -0.04 0.00 2.79 0.00 0.00 35.95 38.60 1g3g h PHE 151 CO -0.04 0.46 0.48 0.87 -2.23 0.00 0.00 178.31 177.85 1g3g h LYS 152 N 0.81 0.94 -0.76 1.11 1.57 -1.46 -1.50 116.57 117.29 1g3g h LYS 152 Ca 0.24 -0.06 -0.05 0.00 -1.87 0.00 0.00 60.65 58.91 1g3g h LYS 152 Cb -0.04 -0.21 -0.03 0.00 0.08 0.00 0.00 32.23 32.02 1g3g h LYS 152 CO -0.07 0.62 0.26 1.96 -0.57 0.00 0.00 179.45 181.64 1g3g h GLN 153 N 0.96 1.16 -0.39 3.15 4.20 -0.89 0.30 115.11 123.60 1g3g h GLN 153 Ca 0.28 -0.24 -0.02 0.00 0.06 0.00 0.00 58.65 58.73 1g3g h GLN 153 Cb -0.07 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 27.52 1g3g h GLN 153 CO -0.08 0.97 0.15 0.00 -0.67 0.00 0.00 178.83 179.21 1g3g h LEU 155 N 0.49 0.81 -1.06 0.00 6.46 -1.10 0.75 115.31 121.66 1g3g h LEU 155 Ca 0.13 -0.32 0.00 0.00 -0.12 0.00 0.00 57.88 57.58 1g3g h LEU 155 Cb 0.19 -0.22 -0.05 0.00 -0.73 0.00 0.00 40.66 39.86 1g3g h LEU 155 CO -0.01 1.04 0.59 -0.08 -0.62 0.00 0.00 178.44 179.37 1g3g h GLU 156 N 0.67 1.23 0.08 1.25 4.22 -0.74 -2.97 114.58 118.32 1g3g h GLU 156 Ca 0.08 -0.09 -0.33 0.00 0.08 0.00 0.00 59.36 59.11 1g3g h GLU 156 Cb 0.82 -0.27 -0.03 0.00 0.50 0.00 0.00 28.75 29.77 1g3g h GLU 156 CO 0.07 0.83 -1.79 0.37 -2.18 0.00 0.00 179.01 176.31 1g3g h GLN 157 N 1.26 0.17 -7.01 1.92 5.75 -1.24 -3.48 115.11 112.48 1g3g h GLN 157 Ca 0.34 -0.29 -0.60 0.00 -0.15 0.00 0.00 58.65 57.95 1g3g h GLN 157 Cb -0.12 0.11 -0.29 0.00 1.07 0.00 0.00 27.48 28.25 1g3g h GLN 157 CO -0.07 0.94 -0.90 0.27 -2.65 0.00 0.00 178.83 176.42 1g3g n ASN 158 N -3.32 -1.73 -4.88 -0.69 0.23 0.26 -4.91 115.26 100.23 1g3g n ASN 158 Ca -0.23 -1.17 -0.32 0.00 -0.53 0.00 0.00 54.58 52.33 1g3g n ASN 158 Cb 1.05 -2.03 -0.05 0.00 -2.08 0.00 0.00 39.78 36.66 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.54 -0.93 0.00 0.00 177.26 175.79 1g3g s LYS 159 N -7.13 3.79 0.36 -3.83 1.02 -1.26 -5.05 119.74 107.64 1g3g s LYS 159 Ca 0.62 0.27 -0.28 0.00 0.02 0.00 0.00 55.97 56.60 1g3g s LYS 159 Cb -0.36 -2.64 -0.10 0.00 -0.52 0.00 0.00 37.83 34.21 1g3g s LYS 159 CO 0.99 0.31 1.31 0.08 -0.92 0.00 0.00 175.35 177.12 1g3g s VAL 160 N -1.83 2.65 -0.74 3.17 1.01 -1.26 -4.84 120.40 118.55 1g3g s VAL 160 Ca 0.47 0.62 -0.25 0.00 0.00 0.00 0.00 61.98 62.83 1g3g s VAL 160 Cb -0.11 -3.39 -0.14 0.00 0.00 0.00 0.00 36.38 32.74 1g3g s VAL 160 CO 0.22 0.13 2.41 -0.67 0.00 0.00 0.00 175.10 177.18 1g3g n ASP 161 N 0.51 1.60 -2.38 3.32 2.03 -1.26 -4.84 116.55 115.53 1g3g n ASP 161 Ca 0.02 -1.12 -0.12 0.00 0.52 0.00 0.00 54.79 54.09 1g3g n ASP 161 Cb 0.42 -1.53 -0.04 0.00 -0.72 0.00 0.00 41.12 39.25 1g3g n ASP 161 CO 0.00 0.00 0.00 -2.11 -1.92 0.00 0.00 177.20 173.17 1g3g n ARG 162 N 8.57 0.33 -2.52 -0.67 1.85 -1.26 -5.11 116.66 117.85 1g3g n ARG 162 Ca 0.47 -1.91 -0.43 0.00 -1.00 0.00 0.00 57.85 54.98 1g3g n ARG 162 Cb 0.42 1.46 -0.02 0.00 -1.05 0.00 0.00 32.46 33.27 1g3g n ARG 162 CO 0.00 0.00 0.00 0.42 -0.01 0.00 0.00 177.63 178.04 1g3g s ILE 163 N -2.70 4.24 -2.88 8.89 1.01 -1.26 -5.23 121.20 123.26 1g3g s ILE 163 Ca 0.21 1.37 0.25 0.00 0.00 0.00 0.00 60.65 62.47 1g3g s ILE 163 Cb 0.01 -4.34 0.27 0.00 0.01 0.00 0.00 42.46 38.41 1g3g s ILE 163 CO 0.15 -0.63 1.37 -1.14 0.00 0.00 0.00 174.94 174.69