#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g n GLU 2 N 0.00 1.39 -0.98 1.61 1.02 -1.26 -5.04 120.64 117.38 1g3g n GLU 2 Ca 0.00 -1.36 -0.14 0.00 -0.02 0.00 0.00 57.16 55.65 1g3g n GLU 2 Cb 0.00 0.44 0.20 0.00 -0.02 0.00 0.00 31.44 32.06 1g3g n GLU 2 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1g3g n ASN 3 N -1.27 4.00 -3.69 1.62 5.03 -1.26 -4.84 115.26 114.85 1g3g n ASN 3 Ca -0.07 -3.23 -0.16 0.00 0.87 0.00 0.00 54.58 51.99 1g3g n ASN 3 Cb 0.24 -0.76 -0.15 0.00 -1.02 0.00 0.00 39.78 38.08 1g3g n ASN 3 CO 0.00 0.00 0.00 -0.63 -1.83 0.00 0.00 177.26 174.80 1g3g s ILE 4 N -2.74 -0.20 -0.15 2.41 -1.09 -1.26 -5.14 121.20 113.03 1g3g s ILE 4 Ca 0.48 0.32 -0.10 0.00 -2.23 0.00 0.00 60.65 59.12 1g3g s ILE 4 Cb 0.40 -0.27 0.05 0.00 -1.58 0.00 0.00 42.46 41.06 1g3g s ILE 4 CO 0.10 0.13 0.37 -0.89 -1.23 0.00 0.00 174.94 173.43 1g3g s THR 5 N 1.98 -0.02 0.73 2.92 2.01 -1.26 -5.17 115.64 116.84 1g3g s THR 5 Ca -0.00 0.06 -0.11 0.00 0.31 0.00 0.00 61.69 61.95 1g3g s THR 5 Cb -0.12 -0.55 0.03 0.00 0.01 0.00 0.00 72.50 71.88 1g3g s THR 5 CO -0.06 0.03 1.11 -1.58 -0.69 0.00 0.00 174.62 173.43 1g3g s GLN 6 N 0.91 2.62 1.11 4.92 0.74 -1.26 -5.05 119.66 123.66 1g3g s GLN 6 Ca -0.06 0.35 -0.16 0.00 0.05 0.00 0.00 55.36 55.55 1g3g s GLN 6 Cb -0.06 -2.01 0.23 0.00 1.10 0.00 0.00 33.01 32.26 1g3g s GLN 6 CO -0.07 -1.17 0.49 -2.30 -0.55 0.00 0.00 175.29 171.68 1g3g n PRO 7 N -3.08 -2.92 -1.80 1.67 -0.02 -1.26 -4.75 135.00 122.85 1g3g n PRO 7 Ca 0.07 -0.86 -0.40 0.00 -2.02 0.00 0.00 63.50 60.29 1g3g n PRO 7 Cb 0.58 -1.58 -0.03 0.00 -0.02 0.00 0.00 33.50 32.45 1g3g n PRO 7 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1g3g s THR 8 N -2.08 3.22 0.18 3.45 -4.23 -1.26 -4.83 115.64 110.08 1g3g s THR 8 Ca 0.43 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 61.10 1g3g s THR 8 Cb -0.08 -3.40 -0.09 0.00 1.34 0.00 0.00 72.50 70.27 1g3g s THR 8 CO 0.38 -0.33 1.45 1.56 -0.54 0.00 0.00 174.62 177.13 1g3g h GLN 9 N 15.76 0.47 -3.43 3.99 4.20 -2.04 -3.49 115.11 130.56 1g3g h GLN 9 Ca -0.31 -0.36 0.00 0.00 0.06 0.00 0.00 58.65 58.05 1g3g h GLN 9 Cb 1.21 0.07 0.00 0.00 0.30 0.00 0.00 27.48 29.06 1g3g h GLN 9 CO 1.10 0.98 -0.89 0.94 -0.67 0.00 0.00 178.83 180.29 1g3g n GLN 10 N -3.88 -3.81 -1.45 1.46 7.27 -1.26 -5.01 117.38 110.70 1g3g n GLN 10 Ca -0.04 2.95 -0.06 0.00 0.07 0.00 0.00 57.00 59.92 1g3g n GLN 10 Cb 0.68 -3.67 0.02 0.00 2.41 0.00 0.00 30.24 29.68 1g3g n GLN 10 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1g3g n SER 11 N -2.43 0.54 -1.45 1.69 7.64 -1.26 -5.14 113.62 113.21 1g3g n SER 11 Ca 0.00 -1.41 0.00 0.00 1.01 0.00 0.00 58.87 58.47 1g3g n SER 11 Cb 0.42 -0.14 0.00 0.00 -1.01 0.00 0.00 64.21 63.48 1g3g n SER 11 CO 0.00 0.00 0.00 0.35 -3.01 0.00 0.00 175.04 172.38 1g3g n THR 12 N -1.50 0.00 -0.88 0.44 -2.24 -1.26 -5.07 114.28 103.77 1g3g n THR 12 Ca 0.05 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.83 1g3g n THR 12 Cb 0.17 -0.61 0.00 0.00 -2.10 0.00 0.00 70.33 67.80 1g3g n THR 12 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1g3g n GLN 13 N -0.44 -2.44 0.29 -0.78 1.13 -1.26 -4.61 117.38 109.28 1g3g n GLN 13 Ca 0.00 1.85 0.15 0.00 -1.94 0.00 0.00 57.00 57.06 1g3g n GLN 13 Cb 0.00 -2.17 0.88 0.00 0.11 0.00 0.00 30.24 29.05 1g3g n GLN 13 CO 0.00 0.00 0.00 0.00 -1.44 0.00 0.00 177.06 175.62 1g3g h ALA 14 N 0.56 1.32 0.00 -1.58 0.00 -2.00 -3.46 119.26 114.09 1g3g h ALA 14 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1g3g h ALA 14 Cb 0.23 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1g3g h ALA 14 CO 0.00 0.06 0.00 2.41 0.00 0.00 0.00 179.25 181.72 1g3g n THR 15 N -3.60 0.00 0.03 0.00 -1.04 -1.26 -4.45 114.28 103.95 1g3g n THR 15 Ca -0.02 0.00 0.06 0.00 -2.04 0.00 0.00 64.05 62.05 1g3g n THR 15 Cb 0.16 0.00 0.47 0.00 -1.82 0.00 0.00 70.33 69.14 1g3g n THR 15 CO 0.00 0.00 0.00 -0.61 -0.64 0.00 0.00 175.07 173.82 1g3g h GLN 16 N 0.00 0.43 -0.65 -2.82 5.75 -2.00 -1.55 115.11 114.28 1g3g h GLN 16 Ca 0.00 -0.03 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1g3g h GLN 16 Cb 0.00 -0.10 -0.03 0.00 1.07 0.00 0.00 27.48 28.42 1g3g h GLN 16 CO 0.00 0.29 0.27 0.00 -2.65 0.00 0.00 178.83 176.74 1g3g h ARG 17 N 0.45 0.94 -0.29 1.69 3.08 -1.97 -2.37 114.38 115.89 1g3g h ARG 17 Ca 0.15 -0.14 -0.11 0.00 0.07 0.00 0.00 59.98 59.94 1g3g h ARG 17 Cb 0.04 -0.17 -0.01 0.00 0.08 0.00 0.00 29.97 29.91 1g3g h ARG 17 CO -0.03 0.76 -0.28 0.35 -1.07 0.00 0.00 179.97 179.69 1g3g h PHE 18 N 0.92 0.68 -0.86 3.04 3.57 -1.66 -2.80 116.94 119.83 1g3g h PHE 18 Ca 0.22 -0.16 -0.01 0.00 3.53 0.00 0.00 57.97 61.55 1g3g h PHE 18 Cb 0.16 -0.16 -0.04 0.00 2.79 0.00 0.00 35.95 38.70 1g3g h PHE 18 CO 0.01 0.81 0.50 1.25 -2.23 0.00 0.00 178.31 178.65 1g3g h LEU 19 N 0.51 1.06 -0.55 0.59 6.46 -1.17 -2.50 115.31 119.72 1g3g h LEU 19 Ca 0.07 -0.08 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1g3g h LEU 19 Cb 0.75 -0.27 -0.01 0.00 -0.73 0.00 0.00 40.66 40.40 1g3g h LEU 19 CO 0.06 0.83 -0.19 0.40 -0.62 0.00 0.00 178.44 178.92 1g3g h ILE 20 N 1.20 1.27 -1.00 4.05 1.08 -1.32 -3.01 117.51 119.78 1g3g h ILE 20 Ca 0.31 -1.35 0.06 0.00 -0.39 0.00 0.00 64.86 63.49 1g3g h ILE 20 Cb -0.01 1.10 -0.06 0.00 -3.07 0.00 0.00 36.82 34.77 1g3g h ILE 20 CO -0.05 0.47 0.65 -0.33 -0.69 0.00 0.00 178.15 178.19 1g3g h GLU 21 N 0.84 1.17 -0.23 2.37 4.39 -1.20 -1.09 114.58 120.83 1g3g h GLU 21 Ca 0.11 -0.07 -0.03 0.00 0.34 0.00 0.00 59.36 59.71 1g3g h GLU 21 Cb 0.76 -0.26 -0.01 0.00 -0.10 0.00 0.00 28.75 29.13 1g3g h GLU 21 CO 0.06 0.77 0.01 -0.22 -1.16 0.00 0.00 179.01 178.47 1g3g h LYS 22 N 1.20 0.33 -0.24 2.33 3.64 -1.35 -2.73 116.57 119.76 1g3g h LYS 22 Ca 0.42 -0.05 0.00 0.00 -1.27 0.00 0.00 60.65 59.75 1g3g h LYS 22 Cb 0.12 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 31.87 1g3g h LYS 22 CO -0.16 0.36 0.15 0.35 -2.27 0.00 0.00 179.45 177.88 1g3g h PHE 23 N 0.33 0.31 -0.91 1.91 3.57 -1.16 -2.59 116.94 118.40 1g3g h PHE 23 Ca 0.08 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.61 1g3g h PHE 23 Cb 0.22 -0.10 -0.05 0.00 2.79 0.00 0.00 35.95 38.80 1g3g h PHE 23 CO 0.00 0.22 0.60 1.03 -2.23 0.00 0.00 178.31 177.93 1g3g h SER 24 N 0.31 1.00 -5.37 0.41 0.87 -1.39 -3.47 113.55 105.92 1g3g h SER 24 Ca 0.09 -0.01 -0.18 0.00 -1.23 0.00 0.00 61.79 60.46 1g3g h SER 24 Cb -0.01 -0.23 0.14 0.00 -0.44 0.00 0.00 62.40 61.86 1g3g h SER 24 CO -0.02 0.69 -0.61 1.67 -0.53 0.00 0.00 176.83 178.03 1g3g n GLN 25 N -4.43 -1.95 -3.78 2.24 7.27 -0.98 -4.99 117.38 110.75 1g3g n GLN 25 Ca 0.12 1.02 -0.35 0.00 0.07 0.00 0.00 57.00 57.85 1g3g n GLN 25 Cb 0.08 -5.71 -0.09 0.00 2.41 0.00 0.00 30.24 26.94 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 -3.99 4.10 -0.35 3.69 -6.30 -1.26 -5.06 118.70 109.53 1g3g s GLU 26 Ca 0.33 -0.27 -0.28 0.00 -2.50 0.00 0.00 54.97 52.25 1g3g s GLU 26 Cb -0.04 -3.39 0.02 0.00 0.00 0.00 0.00 34.13 30.71 1g3g s GLU 26 CO 0.72 0.23 1.04 -0.65 0.02 0.00 0.00 175.26 176.62 1g3g s GLN 27 N 0.55 3.97 0.18 4.30 1.11 -1.26 -5.02 119.66 123.49 1g3g s GLN 27 Ca 0.07 0.87 -0.27 0.00 0.01 0.00 0.00 55.36 56.04 1g3g s GLN 27 Cb -0.12 -3.77 -0.08 0.00 -1.01 0.00 0.00 33.01 28.03 1g3g s GLN 27 CO 0.00 -0.96 0.83 0.42 0.01 0.00 0.00 175.29 175.59 1g3g s ILE 28 N 3.68 4.30 0.00 1.08 -1.09 -1.26 -4.80 121.20 123.11 1g3g s ILE 28 Ca 0.43 1.83 0.00 0.00 -2.23 0.00 0.00 60.65 60.68 1g3g s ILE 28 Cb -0.12 -4.20 0.00 0.00 -1.58 0.00 0.00 42.46 36.56 1g3g s ILE 28 CO 0.18 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 175.00 1g3g n GLY 29 N 1.63 0.00 0.11 6.18 0.00 -1.26 -5.02 105.19 106.83 1g3g n GLY 29 Ca -0.04 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.04 1g3g n GLY 29 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1g3g h GLU 30 N 0.00 0.00 0.00 1.61 4.11 -1.93 -3.35 114.58 115.02 1g3g h GLU 30 Ca 0.00 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.43 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 0.14 -0.90 0.09 0.07 0.00 0.00 179.01 178.41 1g3g n ASN 31 N -2.80 1.08 -4.57 3.06 4.13 -1.26 -3.68 115.26 111.22 1g3g n ASN 31 Ca -0.04 -0.53 -0.40 0.00 1.68 0.00 0.00 54.58 55.29 1g3g n ASN 31 Cb 0.68 1.19 -0.03 0.00 -1.54 0.00 0.00 39.78 40.08 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 -2.38 3.49 0.09 2.41 -1.09 -1.26 -2.57 121.20 119.89 1g3g s ILE 32 Ca 0.02 0.39 -0.18 0.00 -2.23 0.00 0.00 60.65 58.65 1g3g s ILE 32 Cb 0.09 -3.95 -0.04 0.00 -1.58 0.00 0.00 42.46 36.98 1g3g s ILE 32 CO 0.51 -0.80 1.19 0.55 -1.23 0.00 0.00 174.94 175.15 1g3g n VAL 33 N 7.21 -0.39 -3.62 2.92 3.14 -1.00 -4.62 118.33 121.96 1g3g n VAL 33 Ca 0.20 1.84 -0.07 0.00 -2.96 0.00 0.00 64.34 63.35 1g3g n VAL 33 Cb 0.50 -2.32 -0.02 0.00 -1.06 0.00 0.00 33.84 30.94 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 -3.39 1.88 -0.24 0.00 3.52 0.14 0.18 118.95 121.04 1g3g s ARG 35 Ca 0.08 -0.42 -0.17 0.00 -0.13 0.00 0.00 55.73 55.09 1g3g s ARG 35 Cb -0.02 -1.71 -0.03 0.00 -1.56 0.00 0.00 34.95 31.63 1g3g s ARG 35 CO -0.04 -0.14 0.44 0.08 -0.81 0.00 0.00 175.30 174.83 1g3g s VAL 36 N 1.25 5.14 -0.27 7.11 1.01 0.44 0.15 120.40 135.24 1g3g s VAL 36 Ca -0.02 0.76 0.02 0.00 0.00 0.00 0.00 61.98 62.74 1g3g s VAL 36 Cb -0.14 -3.77 0.07 0.00 0.00 0.00 0.00 36.38 32.54 1g3g s VAL 36 CO -0.04 0.17 -0.06 -0.63 0.00 0.00 0.00 175.10 174.53 1g3g s ILE 37 N 1.84 1.98 -0.68 2.22 1.01 0.47 -1.11 121.20 126.94 1g3g s ILE 37 Ca 0.19 -1.65 -0.24 0.00 0.00 0.00 0.00 60.65 58.95 1g3g s ILE 37 Cb -0.15 -2.21 0.05 0.00 0.01 0.00 0.00 42.46 40.16 1g3g s ILE 37 CO 0.09 -0.17 1.07 0.00 0.00 0.00 0.00 174.94 175.94 1g3g h THR 39 N 6.00 0.91 -0.51 0.00 1.03 -1.88 -3.33 112.91 115.13 1g3g h THR 39 Ca -0.28 -2.50 0.15 0.00 -0.01 0.00 0.00 66.41 63.77 1g3g h THR 39 Cb 1.06 2.37 -0.02 0.00 -1.07 0.00 0.00 68.15 70.50 1g3g h THR 39 CO 1.21 0.52 0.51 0.74 -0.01 0.00 0.00 175.52 178.48 1g3g h THR 40 N 0.00 0.39 -0.44 0.00 2.02 -1.89 -3.45 112.91 109.54 1g3g h THR 40 Ca -0.12 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.06 1g3g h THR 40 Cb 1.68 0.60 0.00 0.00 -1.74 0.00 0.00 68.15 68.69 1g3g h THR 40 CO 0.08 0.00 0.00 0.61 0.37 0.00 0.00 175.52 176.58 1g3g n GLY 41 N -1.53 0.70 1.37 2.16 0.00 -1.25 -4.94 105.19 101.69 1g3g n GLY 41 Ca 0.10 -0.68 0.00 0.00 0.00 0.00 0.00 46.02 45.44 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 -0.16 0.00 -4.36 1.61 10.64 -1.26 -5.07 117.38 118.77 1g3g n GLN 42 Ca 0.00 0.00 -0.21 0.00 -1.83 0.00 0.00 57.00 54.96 1g3g n GLN 42 Cb 0.07 -0.14 -0.16 0.00 -0.86 0.00 0.00 30.24 29.16 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 -1.69 0.77 0.57 -0.39 1.01 -1.26 -5.13 121.20 115.07 1g3g s ILE 43 Ca 0.00 -0.32 -0.21 0.00 0.00 0.00 0.00 60.65 60.12 1g3g s ILE 43 Cb 0.00 -0.71 -0.04 0.00 0.01 0.00 0.00 42.46 41.72 1g3g s ILE 43 CO 0.00 0.25 1.32 -2.65 0.00 0.00 0.00 174.94 173.86 1g3g n PRO 44 N 3.51 1.53 -1.50 2.79 -0.02 -1.26 -4.07 135.00 135.97 1g3g n PRO 44 Ca -0.20 0.57 -0.43 0.00 -2.02 0.00 0.00 63.50 61.41 1g3g n PRO 44 Cb 0.53 -2.53 -0.00 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 -1.24 1.93 -4.06 4.25 5.41 -1.26 -4.78 119.36 119.61 1g3g n ILE 45 Ca 0.12 -0.50 -0.18 0.00 1.00 0.00 0.00 62.75 63.18 1g3g n ILE 45 Cb 0.45 -0.66 -0.16 0.00 -0.71 0.00 0.00 39.64 38.56 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 -1.56 0.56 -0.27 0.38 6.06 -0.27 -5.04 118.95 118.81 1g3g s ARG 46 Ca 0.62 -0.03 -0.13 0.00 -2.50 0.00 0.00 55.73 53.70 1g3g s ARG 46 Cb -0.66 -0.64 -0.04 0.00 0.06 0.00 0.00 34.95 33.67 1g3g s ARG 46 CO 0.58 -0.09 0.28 0.16 -2.50 0.00 0.00 175.30 173.73 1g3g s ASP 47 N 0.89 6.15 -0.22 -2.12 1.47 -1.26 -0.42 116.67 121.16 1g3g s ASP 47 Ca -0.10 0.15 -0.14 0.00 1.18 0.00 0.00 52.55 53.64 1g3g s ASP 47 Cb -0.14 -2.17 -0.04 0.00 -0.34 0.00 0.00 42.92 40.23 1g3g s ASP 47 CO -0.01 -0.11 0.30 -0.76 0.68 0.00 0.00 175.17 175.27 1g3g s LEU 48 N 1.88 4.14 0.31 2.11 1.43 0.49 -4.97 118.68 124.07 1g3g s LEU 48 Ca 0.11 0.34 0.11 0.00 -1.03 0.00 0.00 54.13 53.66 1g3g s LEU 48 Cb -0.16 -2.34 -0.05 0.00 0.03 0.00 0.00 46.19 43.67 1g3g s LEU 48 CO 0.10 -0.02 -0.11 -0.44 0.23 0.00 0.00 176.35 176.11 1g3g s SER 49 N 1.05 3.84 0.34 2.29 0.01 -1.26 0.20 113.70 120.18 1g3g s SER 49 Ca 0.14 -1.02 0.09 0.00 1.31 0.00 0.00 55.95 56.47 1g3g s SER 49 Cb -0.14 -0.42 -0.06 0.00 0.21 0.00 0.00 66.02 65.61 1g3g s SER 49 CO 0.06 -0.08 -0.07 0.00 0.41 0.00 0.00 173.24 173.56 1g3g s ALA 50 N -2.52 3.01 -0.73 1.44 0.00 -1.06 -4.44 121.76 117.46 1g3g s ALA 50 Ca 0.32 -2.06 0.04 0.00 0.00 0.00 0.00 51.96 50.26 1g3g s ALA 50 Cb -0.02 -0.13 0.25 0.00 0.00 0.00 0.00 23.12 23.22 1g3g s ALA 50 CO 0.17 0.08 0.86 -0.25 0.00 0.00 0.00 175.76 176.62 1g3g n ASP 51 N -0.83 4.21 -0.11 0.00 9.92 -1.26 -4.73 116.55 123.76 1g3g n ASP 51 Ca -0.05 -3.41 -0.10 0.00 -0.53 0.00 0.00 54.79 50.70 1g3g n ASP 51 Cb 0.63 -0.80 -0.02 0.00 -0.64 0.00 0.00 41.12 40.29 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 3.34 1.20 -0.34 0.53 2.04 -1.99 -2.05 117.51 120.25 1g3g h ILE 52 Ca 0.19 -0.64 -0.08 0.00 1.00 0.00 0.00 64.86 65.33 1g3g h ILE 52 Cb 0.67 1.00 -0.02 0.00 -0.74 0.00 0.00 36.82 37.72 1g3g h ILE 52 CO 0.92 0.22 -0.14 -1.28 0.00 0.00 0.00 178.15 177.88 1g3g h SER 53 N 0.39 0.59 -0.40 1.72 0.87 -1.98 -2.65 113.55 112.09 1g3g h SER 53 Ca 0.11 -0.17 -0.12 0.00 -1.23 0.00 0.00 61.79 60.38 1g3g h SER 53 Cb 0.23 -0.16 -0.01 0.00 -0.44 0.00 0.00 62.40 62.02 1g3g h SER 53 CO -0.00 0.75 -0.21 1.56 -0.53 0.00 0.00 176.83 178.40 1g3g h GLN 54 N 0.55 0.91 -0.49 2.24 1.08 -1.92 -2.63 115.11 114.86 1g3g h GLN 54 Ca 0.10 -0.37 -0.09 0.00 -1.45 0.00 0.00 58.65 56.83 1g3g h GLN 54 Cb 0.55 -0.04 -0.02 0.00 -0.05 0.00 0.00 27.48 27.93 1g3g h GLN 54 CO 0.04 1.03 -0.08 0.28 -0.95 0.00 0.00 178.83 179.14 1g3g h VAL 55 N 0.79 1.26 0.00 -0.54 2.07 -1.19 0.87 116.25 119.50 1g3g h VAL 55 Ca 0.11 -1.16 -0.09 0.00 0.82 0.00 0.00 66.70 66.37 1g3g h VAL 55 Cb 0.76 0.97 -0.01 0.00 -1.52 0.00 0.00 31.29 31.49 1g3g h VAL 55 CO 0.06 0.41 -0.43 0.25 0.02 0.00 0.00 177.57 177.88 1g3g h LEU 56 N 0.79 0.00 0.03 2.57 5.85 -1.37 -3.19 115.31 119.99 1g3g h LEU 56 Ca 0.14 0.00 -0.34 0.00 0.84 0.00 0.00 57.88 58.51 1g3g h LEU 56 Cb 0.58 0.00 -0.05 0.00 0.37 0.00 0.00 40.66 41.56 1g3g h LEU 56 CO 0.04 0.43 -2.03 1.17 -0.34 0.00 0.00 178.44 177.71 1g3g n LYS 57 N -4.00 0.68 -1.40 1.25 4.81 -1.00 -4.96 118.16 113.54 1g3g n LYS 57 Ca -0.02 0.21 -0.29 0.00 -0.87 0.00 0.00 58.31 57.34 1g3g n LYS 57 Cb 0.46 -1.68 0.13 0.00 0.02 0.00 0.00 35.03 33.95 1g3g n LYS 57 CO 0.00 0.00 0.00 -1.21 1.17 0.00 0.00 177.40 177.36 1g3g s GLU 58 N -2.56 1.42 -1.23 1.64 0.41 0.30 -4.95 118.70 113.73 1g3g s GLU 58 Ca -0.15 0.59 -0.12 0.00 -0.41 0.00 0.00 54.97 54.88 1g3g s GLU 58 Cb 0.07 -1.85 0.17 0.00 -1.78 0.00 0.00 34.13 30.75 1g3g s GLU 58 CO 0.78 -2.07 1.56 1.63 -0.49 0.00 0.00 175.26 176.67 1g3g n LYS 59 N -3.73 3.45 -2.54 1.61 4.01 -1.26 -4.67 118.16 115.03 1g3g n LYS 59 Ca 0.07 -3.77 -0.01 0.00 -0.51 0.00 0.00 58.31 54.08 1g3g n LYS 59 Cb 0.57 -3.00 0.00 0.00 -0.51 0.00 0.00 35.03 32.09 1g3g n LYS 59 CO 0.00 0.00 0.00 -2.13 -1.11 0.00 0.00 177.40 174.16 1g3g n ARG 60 N 5.11 -2.79 -3.92 1.97 3.00 -1.26 -5.07 116.66 113.70 1g3g n ARG 60 Ca 0.38 2.34 -0.14 0.00 -0.00 0.00 0.00 57.85 60.43 1g3g n ARG 60 Cb 0.41 -4.75 -0.15 0.00 0.00 0.00 0.00 32.46 27.97 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.63 176.09 1g3g s SER 61 N -1.55 0.17 -0.31 6.15 1.04 -1.26 -5.07 113.70 112.88 1g3g s SER 61 Ca 0.04 -0.02 -0.04 0.00 0.48 0.00 0.00 55.95 56.42 1g3g s SER 61 Cb -0.01 -0.05 0.28 0.00 0.10 0.00 0.00 66.02 66.34 1g3g s SER 61 CO 0.66 -0.01 1.29 0.00 0.98 0.00 0.00 173.24 176.15 1g3g n ILE 62 N 3.31 0.00 -3.31 -1.02 0.13 -1.26 -4.62 119.36 112.58 1g3g n ILE 62 Ca -0.16 -0.53 -0.24 0.00 -1.10 0.00 0.00 62.75 60.72 1g3g n ILE 62 Cb 0.57 1.02 -0.09 0.00 -0.84 0.00 0.00 39.64 40.30 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 1.50 0.24 -4.88 9.51 3.00 -1.26 -4.60 118.16 121.66 1g3g n LYS 63 Ca 0.00 -3.04 -0.28 0.00 -0.00 0.00 0.00 58.31 55.00 1g3g n LYS 63 Cb 0.72 -1.64 -0.17 0.00 0.00 0.00 0.00 35.03 33.95 1g3g n LYS 63 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.40 177.61 1g3g s LYS 64 N 0.13 2.19 -0.01 1.64 2.20 -1.17 -5.03 119.74 119.69 1g3g s LYS 64 Ca 0.33 -0.63 0.02 0.00 -0.36 0.00 0.00 55.97 55.32 1g3g s LYS 64 Cb 0.04 -1.76 -0.00 0.00 -1.51 0.00 0.00 37.83 34.59 1g3g s LYS 64 CO -0.18 0.15 -0.05 0.08 -0.36 0.00 0.00 175.35 174.99 1g3g s VAL 65 N 0.37 0.41 -0.12 4.02 1.01 -1.26 0.38 120.40 125.20 1g3g s VAL 65 Ca -0.13 -0.21 -0.07 0.00 0.00 0.00 0.00 61.98 61.57 1g3g s VAL 65 Cb -0.15 -0.35 -0.04 0.00 0.00 0.00 0.00 36.38 35.83 1g3g s VAL 65 CO 0.05 0.12 0.14 0.26 0.00 0.00 0.00 175.10 175.67 1g3g s TRP 66 N -0.04 3.59 -0.04 5.22 0.51 0.56 -4.89 118.94 123.85 1g3g s TRP 66 Ca 0.01 0.52 0.02 0.00 -2.12 0.00 0.00 56.10 54.54 1g3g s TRP 66 Cb -0.03 -1.94 0.01 0.00 -0.81 0.00 0.00 33.47 30.70 1g3g s TRP 66 CO -0.00 0.73 -0.10 0.99 -0.51 0.00 0.00 176.95 178.06 1g3g s THR 67 N -1.02 0.92 -0.26 2.01 2.01 -1.26 0.21 115.64 118.24 1g3g s THR 67 Ca 0.15 -0.39 -0.08 0.00 0.31 0.00 0.00 61.69 61.68 1g3g s THR 67 Cb -0.12 -0.84 -0.02 0.00 0.01 0.00 0.00 72.50 71.52 1g3g s THR 67 CO 0.04 0.30 0.08 -0.36 -0.69 0.00 0.00 174.62 173.99 1g3g s PHE 68 N 0.48 3.10 -4.82 4.92 0.40 0.30 0.25 117.98 122.61 1g3g s PHE 68 Ca -0.09 -0.47 0.00 0.00 -0.60 0.00 0.00 56.93 55.77 1g3g s PHE 68 Cb -0.13 -2.26 0.00 0.00 0.51 0.00 0.00 43.02 41.15 1g3g s PHE 68 CO 0.02 -0.38 0.00 0.41 0.70 0.00 0.00 175.22 175.96 1g3g n GLY 69 N 4.93 -0.49 3.56 4.36 0.00 -1.23 -0.16 105.19 116.15 1g3g n GLY 69 Ca -0.16 -1.03 -0.36 0.00 0.00 0.00 0.00 46.02 44.47 1g3g n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3g s ARG 70 N -1.93 3.14 0.11 1.61 1.70 -0.37 -3.51 118.95 119.69 1g3g s ARG 70 Ca 0.00 -0.64 -0.12 0.00 -0.47 0.00 0.00 55.73 54.51 1g3g s ARG 70 Cb 0.00 -5.07 0.01 0.00 -0.57 0.00 0.00 34.95 29.32 1g3g s ARG 70 CO 0.00 -2.62 0.28 0.54 -1.08 0.00 0.00 175.30 172.42 1g3g s ASN 71 N 6.06 -0.03 0.00 -2.89 2.20 -1.26 -4.67 114.94 114.35 1g3g s ASN 71 Ca 0.54 -0.53 0.06 0.00 -0.94 0.00 0.00 52.86 51.99 1g3g s ASN 71 Cb -0.04 0.40 0.26 0.00 -2.00 0.00 0.00 41.25 39.87 1g3g s ASN 71 CO -0.02 -0.79 1.14 -0.81 -2.94 0.00 0.00 177.10 173.68 1g3g n PRO 72 N -0.14 0.02 0.00 3.55 -0.04 -1.26 -3.97 135.00 133.16 1g3g n PRO 72 Ca -0.15 0.35 0.00 0.00 -0.04 0.00 0.00 63.50 63.66 1g3g n PRO 72 Cb 0.63 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.59 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3g n ALA 73 N -1.44 0.00 0.01 0.55 0.00 -1.26 -4.37 120.51 114.00 1g3g n ALA 73 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.45 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 -2.46 1.95 -3.85 0.00 2.03 0.69 -4.55 116.55 110.36 1g3g n ASP 75 Ca -0.00 0.30 -0.12 0.00 0.52 0.00 0.00 54.79 55.48 1g3g n ASP 75 Cb 0.01 -0.83 -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 -0.06 -0.41 -0.67 5.04 -1.15 -4.91 117.35 112.73 1g3g s TYR 76 Ca -0.33 0.16 -0.20 0.00 -2.44 0.00 0.00 57.07 54.25 1g3g s TYR 76 Cb 0.10 0.01 0.02 0.00 0.35 0.00 0.00 41.96 42.44 1g3g s TYR 76 CO 0.57 -0.10 0.63 -1.58 -1.34 0.00 0.00 175.55 173.73 1g3g s HIS 77 N -0.27 3.09 0.33 4.97 5.65 -1.26 -3.98 115.29 123.82 1g3g s HIS 77 Ca -0.03 0.07 0.04 0.00 0.25 0.00 0.00 55.06 55.39 1g3g s HIS 77 Cb -0.02 -3.27 -0.03 0.00 -1.18 0.00 0.00 32.58 28.08 1g3g s HIS 77 CO 0.00 -0.78 0.17 -0.48 -0.65 0.00 0.00 174.74 173.00 1g3g s LEU 78 N 2.77 1.74 1.08 8.88 0.05 -1.23 -4.91 118.68 127.06 1g3g s LEU 78 Ca 0.23 -1.61 -0.12 0.00 0.05 0.00 0.00 54.13 52.68 1g3g s LEU 78 Cb -0.14 0.20 0.23 0.00 -2.05 0.00 0.00 46.19 44.43 1g3g s LEU 78 CO 0.18 -0.92 1.00 0.61 -0.55 0.00 0.00 176.35 176.66 1g3g n GLY 79 N -0.65 -1.47 3.14 -3.48 0.00 -1.26 -4.41 105.19 97.06 1g3g n GLY 79 Ca 0.01 -0.99 -0.37 0.00 0.00 0.00 0.00 46.02 44.67 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 -2.45 5.34 -0.11 1.61 4.22 -1.26 -4.11 114.94 118.18 1g3g s ASN 80 Ca 0.67 -2.01 0.01 0.00 -2.14 0.00 0.00 52.86 49.40 1g3g s ASN 80 Cb -0.24 -1.86 -0.01 0.00 1.28 0.00 0.00 41.25 40.41 1g3g s ASN 80 CO 0.63 -0.57 -0.15 -0.63 -2.04 0.00 0.00 177.10 174.34 1g3g s ILE 81 N 1.18 2.90 0.61 0.54 1.01 -1.26 -4.86 121.20 121.32 1g3g s ILE 81 Ca 0.08 -0.73 0.29 0.00 0.00 0.00 0.00 60.65 60.28 1g3g s ILE 81 Cb -0.23 -2.19 0.35 0.00 0.01 0.00 0.00 42.46 40.40 1g3g s ILE 81 CO -0.04 0.54 1.91 0.28 0.00 0.00 0.00 174.94 177.63 1g3g h SER 82 N 6.46 0.00 0.00 3.58 0.02 -1.97 -2.64 113.55 119.00 1g3g h SER 82 Ca -0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.67 1g3g h SER 82 Cb 1.21 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.75 1g3g h SER 82 CO 0.53 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.76 1g3g n ARG 83 N -3.45 0.00 -3.73 3.45 3.00 -1.26 -4.85 116.66 109.81 1g3g n ARG 83 Ca 0.05 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.51 1g3g n ARG 83 Cb 0.56 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.90 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 4.47 0.00 0.55 2.01 -1.26 -4.45 118.68 120.01 1g3g s LEU 84 Ca 0.00 -1.24 0.00 0.00 0.01 0.00 0.00 54.13 52.90 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 -0.37 0.00 -1.20 1.01 0.00 0.00 176.35 175.79 1g3g n SER 85 N 4.81 0.00 -3.41 2.29 7.64 -1.25 -4.63 113.62 119.06 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 0.44 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.64 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 -0.43 -3.82 6.43 5.03 -0.99 -1.24 115.26 120.23 1g3g n ASN 86 Ca 0.00 -0.09 -0.33 0.00 0.87 0.00 0.00 54.58 55.04 1g3g n ASN 86 Cb 0.00 0.00 -0.11 0.00 -1.02 0.00 0.00 39.78 38.65 1g3g n ASN 86 CO 0.00 0.00 0.00 2.29 -1.83 0.00 0.00 177.26 177.72 1g3g n LYS 87 N -0.51 0.02 0.22 3.52 2.85 -1.26 -3.33 118.16 119.67 1g3g n LYS 87 Ca 0.00 -1.09 0.13 0.00 -1.05 0.00 0.00 58.31 56.31 1g3g n LYS 87 Cb 0.00 -2.73 0.30 0.00 -0.65 0.00 0.00 35.03 31.95 1g3g n LYS 87 CO 0.00 0.00 0.00 1.25 -0.05 0.00 0.00 177.40 178.60 1g3g h HIS 88 N 10.20 0.00 -1.53 5.58 2.76 -0.57 -3.38 115.15 128.20 1g3g h HIS 88 Ca 0.17 0.00 0.21 0.00 -2.20 0.00 0.00 60.37 58.54 1g3g h HIS 88 Cb 0.77 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.53 1g3g h HIS 88 CO 1.02 0.00 0.75 0.12 -1.30 0.00 0.00 177.93 178.52 1g3g s PHE 89 N -3.30 -0.18 0.09 5.26 5.36 0.14 -2.67 117.98 122.68 1g3g s PHE 89 Ca 0.06 0.18 0.01 0.00 -0.96 0.00 0.00 56.93 56.22 1g3g s PHE 89 Cb 0.06 0.50 -0.04 0.00 -0.34 0.00 0.00 43.02 43.21 1g3g s PHE 89 CO 0.63 -0.24 -0.04 -0.65 -1.46 0.00 0.00 175.22 173.46 1g3g s GLN 90 N -2.08 0.78 -0.05 10.12 -0.21 0.26 0.11 119.66 128.59 1g3g s GLN 90 Ca 0.07 -1.32 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 33.98 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 -3.77 1.18 -0.01 1.08 1.01 0.56 0.10 121.20 121.35 1g3g s ILE 91 Ca 0.12 -0.53 0.02 0.00 0.00 0.00 0.00 60.65 60.26 1g3g s ILE 91 Cb 0.06 -1.05 -0.03 0.00 0.01 0.00 0.00 42.46 41.45 1g3g s ILE 91 CO -0.05 0.36 -0.02 -0.76 0.00 0.00 0.00 174.94 174.46 1g3g s LEU 92 N 0.43 3.39 -0.08 2.97 1.43 0.50 0.21 118.68 127.53 1g3g s LEU 92 Ca -0.10 -0.05 0.03 0.00 -1.03 0.00 0.00 54.13 52.98 1g3g s LEU 92 Cb -0.14 -1.92 0.01 0.00 0.03 0.00 0.00 46.19 44.17 1g3g s LEU 92 CO 0.03 0.29 -0.16 -0.22 0.23 0.00 0.00 176.35 176.52 1g3g s LEU 93 N -1.44 1.79 0.00 1.79 1.98 0.16 0.10 118.68 123.06 1g3g s LEU 93 Ca 0.18 -0.38 0.00 0.00 -2.89 0.00 0.00 54.13 51.04 1g3g s LEU 93 Cb -0.11 -1.02 0.00 0.00 0.66 0.00 0.00 46.19 45.72 1g3g s LEU 93 CO 0.09 0.07 0.00 0.61 -1.89 0.00 0.00 176.35 175.23 1g3g n GLY 94 N 3.72 2.29 0.00 7.98 0.00 -1.26 -3.06 105.19 114.87 1g3g n GLY 94 Ca -0.22 -0.23 0.00 0.00 0.00 0.00 0.00 46.02 45.58 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 0.00 -1.32 1.61 -0.58 -1.23 -4.90 120.64 114.22 1g3g n GLU 95 Ca 0.00 0.00 -0.38 0.00 -0.42 0.00 0.00 57.16 56.36 1g3g n GLU 95 Cb 0.00 0.00 -0.07 0.00 -0.57 0.00 0.00 31.44 30.80 1g3g n GLU 95 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1g3g n ASP 96 N -0.14 2.40 -2.37 1.62 -0.08 -1.26 -3.86 116.55 112.86 1g3g n ASP 96 Ca 0.00 -2.65 -0.21 0.00 -1.51 0.00 0.00 54.79 50.42 1g3g n ASP 96 Cb 0.00 -1.22 -0.01 0.00 2.34 0.00 0.00 41.12 42.23 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 0.12 0.00 0.00 177.20 177.93 1g3g n GLY 97 N 4.99 -0.47 3.19 0.27 0.00 -1.26 -4.97 105.19 106.93 1g3g n GLY 97 Ca 0.48 -0.01 -0.11 0.00 0.00 0.00 0.00 46.02 46.37 1g3g n GLY 97 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1g3g s ASN 98 N -2.07 0.60 0.27 1.61 3.84 -1.25 -5.00 114.94 112.94 1g3g s ASN 98 Ca 0.00 -1.22 0.09 0.00 0.21 0.00 0.00 52.86 51.94 1g3g s ASN 98 Cb 0.00 0.24 -0.04 0.00 -0.55 0.00 0.00 41.25 40.90 1g3g s ASN 98 CO 0.00 -0.69 0.03 -0.76 -2.79 0.00 0.00 177.10 172.89 1g3g s LEU 99 N -3.10 3.26 0.09 3.21 1.02 -1.26 -3.51 118.68 118.38 1g3g s LEU 99 Ca 0.26 -0.63 0.09 0.00 0.02 0.00 0.00 54.13 53.87 1g3g s LEU 99 Cb 0.07 -1.78 -0.03 0.00 0.02 0.00 0.00 46.19 44.47 1g3g s LEU 99 CO 0.04 -0.04 -0.24 -0.76 0.02 0.00 0.00 176.35 175.37 1g3g s LEU 100 N -3.71 2.26 -0.13 1.79 2.01 0.29 0.11 118.68 121.29 1g3g s LEU 100 Ca 0.32 -0.66 0.02 0.00 0.01 0.00 0.00 54.13 53.83 1g3g s LEU 100 Cb -0.06 -1.08 0.00 0.00 0.01 0.00 0.00 46.19 45.07 1g3g s LEU 100 CO 0.21 0.15 -0.21 -0.76 1.01 0.00 0.00 176.35 176.75 1g3g s LEU 101 N -1.69 2.22 -0.31 1.79 1.02 0.38 0.19 118.68 122.29 1g3g s LEU 101 Ca 0.10 -0.54 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 1g3g s LEU 101 Cb -0.10 -1.47 0.04 0.00 0.02 0.00 0.00 46.19 44.68 1g3g s LEU 101 CO 0.04 0.12 0.04 0.21 0.02 0.00 0.00 176.35 176.78 1g3g s ASN 102 N 0.59 4.99 -0.44 2.29 2.47 0.28 0.20 114.94 125.33 1g3g s ASN 102 Ca -0.12 -1.08 -0.26 0.00 0.42 0.00 0.00 52.86 51.82 1g3g s ASN 102 Cb -0.16 -1.79 0.02 0.00 -1.45 0.00 0.00 41.25 37.87 1g3g s ASN 102 CO 0.03 -0.25 0.97 -1.81 -3.72 0.00 0.00 177.10 172.31 1g3g s ASP 103 N 1.35 6.58 -0.27 -4.21 1.01 -1.24 0.91 116.67 120.81 1g3g s ASP 103 Ca -0.02 0.32 0.02 0.00 0.71 0.00 0.00 52.55 53.59 1g3g s ASP 103 Cb -0.19 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.34 1g3g s ASP 103 CO 0.00 -1.03 -0.05 -0.51 0.21 0.00 0.00 175.17 173.79 1g3g s ILE 104 N 3.80 1.88 0.25 0.77 2.07 -1.24 0.12 121.20 128.85 1g3g s ILE 104 Ca 0.39 -1.59 0.02 0.00 -1.41 0.00 0.00 60.65 58.06 1g3g s ILE 104 Cb -0.10 -2.13 -0.05 0.00 0.13 0.00 0.00 42.46 40.30 1g3g s ILE 104 CO 0.25 -0.19 0.08 -0.44 -1.91 0.00 0.00 174.94 172.73 1g3g s SER 105 N 1.21 1.30 -0.01 4.50 0.01 -1.09 0.25 113.70 119.87 1g3g s SER 105 Ca -0.03 -1.35 -0.13 0.00 1.31 0.00 0.00 55.95 55.75 1g3g s SER 105 Cb -0.19 0.13 -0.07 0.00 0.21 0.00 0.00 66.02 66.10 1g3g s SER 105 CO -0.07 -0.69 0.72 0.74 0.41 0.00 0.00 173.24 174.35 1g3g h THR 106 N 2.41 0.00 0.00 1.44 2.02 -1.86 -3.43 112.91 113.48 1g3g h THR 106 Ca -0.38 -0.30 -0.14 0.00 0.77 0.00 0.00 66.41 66.35 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 -1.53 -0.46 0.37 0.00 0.00 175.52 174.52 1g3g n ASN 107 N -4.09 3.15 -3.73 4.18 0.23 -1.26 -5.05 115.26 108.69 1g3g n ASN 107 Ca -0.06 -0.01 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.18 0.48 -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 -4.18 -0.11 -0.03 4.83 0.00 -1.26 -5.00 107.32 101.57 1g3g s GLY 108 Ca -0.06 0.90 0.07 0.00 0.00 0.00 0.00 44.72 45.63 1g3g s GLY 108 CO 0.29 1.24 -0.24 -1.59 0.00 0.00 0.00 173.10 172.80 1g3g s THR 109 N 1.32 1.89 0.12 0.90 2.01 -1.26 -4.22 115.64 116.40 1g3g s THR 109 Ca -0.08 -1.01 0.10 0.00 0.31 0.00 0.00 61.69 61.01 1g3g s THR 109 Cb -0.11 -1.58 -0.04 0.00 0.01 0.00 0.00 72.50 70.79 1g3g s THR 109 CO -0.08 0.53 -0.26 0.26 -0.69 0.00 0.00 174.62 174.39 1g3g s TRP 110 N -0.42 2.34 -0.23 4.92 0.51 0.43 -0.64 118.94 125.86 1g3g s TRP 110 Ca 0.05 -0.37 0.02 0.00 -2.12 0.00 0.00 56.10 53.68 1g3g s TRP 110 Cb -0.10 -1.28 0.05 0.00 -0.81 0.00 0.00 33.47 31.32 1g3g s TRP 110 CO 0.00 0.32 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.49 1g3g s LEU 111 N -1.96 2.79 -1.64 2.99 2.96 -0.55 0.16 118.68 123.43 1g3g s LEU 111 Ca 0.14 -1.13 -0.12 0.00 -0.22 0.00 0.00 54.13 52.80 1g3g s LEU 111 Cb -0.10 -1.36 0.11 0.00 0.50 0.00 0.00 46.19 45.34 1g3g s LEU 111 CO 0.06 -0.17 0.54 0.59 -1.32 0.00 0.00 176.35 176.05 1g3g n ASN 112 N 4.58 -1.67 -0.09 3.68 3.02 0.13 0.17 115.26 125.09 1g3g n ASN 112 Ca -0.14 -1.09 -0.01 0.00 -0.03 0.00 0.00 54.58 53.30 1g3g n ASN 112 Cb 0.44 -2.45 -0.00 0.00 -0.61 0.00 0.00 39.78 37.16 1g3g n ASN 112 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g3g n GLY 113 N -1.68 0.41 2.59 7.41 0.00 -1.26 -5.02 105.19 107.65 1g3g n GLY 113 Ca -0.07 -0.97 -0.29 0.00 0.00 0.00 0.00 46.02 44.68 1g3g n GLY 113 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g3g s GLN 114 N -2.82 0.55 0.10 1.61 0.74 0.13 -5.11 119.66 114.85 1g3g s GLN 114 Ca 0.00 -1.06 -0.35 0.00 0.05 0.00 0.00 55.36 54.00 1g3g s GLN 114 Cb 0.00 -1.54 -0.18 0.00 1.10 0.00 0.00 33.01 32.39 1g3g s GLN 114 CO 0.00 -1.08 1.07 1.17 -0.55 0.00 0.00 175.29 175.90 1g3g n LYS 115 N 4.62 0.57 -4.69 1.67 4.81 -1.26 -1.49 118.16 122.40 1g3g n LYS 115 Ca 0.02 0.20 -0.31 0.00 -0.87 0.00 0.00 58.31 57.35 1g3g n LYS 115 Cb 0.40 -1.66 -0.07 0.00 0.02 0.00 0.00 35.03 33.72 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 -0.12 0.88 0.17 3.15 -7.23 0.19 -4.82 120.40 112.61 1g3g s VAL 116 Ca 0.80 -2.00 -0.27 0.00 -1.81 0.00 0.00 61.98 58.71 1g3g s VAL 116 Cb -1.03 -2.15 -0.08 0.00 0.56 0.00 0.00 36.38 33.68 1g3g s VAL 116 CO 0.54 0.00 0.82 -0.70 -0.31 0.00 0.00 175.10 175.45 1g3g s GLU 117 N -3.81 4.64 1.09 4.82 2.56 -1.26 -4.40 118.70 122.33 1g3g s GLU 117 Ca 0.09 1.25 -0.12 0.00 0.00 0.00 0.00 54.97 56.19 1g3g s GLU 117 Cb 0.01 -3.28 0.24 0.00 2.00 0.00 0.00 34.13 33.10 1g3g s GLU 117 CO 0.06 0.52 1.06 0.21 -0.56 0.00 0.00 175.26 176.55 1g3g s LYS 118 N -1.02 -0.32 -1.05 4.30 2.36 -1.26 -3.05 119.74 119.70 1g3g s LYS 118 Ca 0.38 0.88 -0.12 0.00 -2.55 0.00 0.00 55.97 54.55 1g3g s LYS 118 Cb -0.24 -1.62 0.12 0.00 -1.05 0.00 0.00 37.83 35.05 1g3g s LYS 118 CO 0.28 -3.33 0.31 0.27 1.55 0.00 0.00 175.35 174.42 1g3g n ASN 119 N -4.65 -0.91 -4.22 1.43 0.23 0.32 -4.83 115.26 102.62 1g3g n ASN 119 Ca 0.05 -0.70 -0.37 0.00 -0.53 0.00 0.00 54.58 53.02 1g3g n ASN 119 Cb 0.54 -0.90 -0.12 0.00 -2.08 0.00 0.00 39.78 37.22 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 -2.37 5.25 0.36 0.53 1.04 -1.17 -4.92 113.70 112.42 1g3g s SER 120 Ca 0.44 -1.37 -0.28 0.00 0.48 0.00 0.00 55.95 55.23 1g3g s SER 120 Cb -0.25 -1.84 -0.12 0.00 0.10 0.00 0.00 66.02 63.91 1g3g s SER 120 CO 0.58 -0.38 1.32 0.59 0.98 0.00 0.00 173.24 176.33 1g3g n ASN 121 N 4.75 2.89 -4.16 7.02 4.13 -1.26 -3.64 115.26 124.98 1g3g n ASN 121 Ca -0.11 1.19 -0.20 0.00 1.68 0.00 0.00 54.58 57.15 1g3g n ASN 121 Cb 0.44 -1.51 -0.13 0.00 -1.54 0.00 0.00 39.78 37.04 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 -1.97 0.94 -0.13 3.52 -1.52 0.52 -4.84 119.66 116.17 1g3g s GLN 122 Ca 0.56 -0.84 -0.29 0.00 -1.95 0.00 0.00 55.36 52.83 1g3g s GLN 122 Cb -0.54 -0.97 -0.03 0.00 -0.22 0.00 0.00 33.01 31.25 1g3g s GLN 122 CO 0.62 0.23 1.39 -1.17 -0.25 0.00 0.00 175.29 176.11 1g3g s LEU 123 N -1.34 4.22 0.34 2.90 2.96 -1.26 0.14 118.68 126.64 1g3g s LEU 123 Ca 0.01 1.86 -0.26 0.00 -0.22 0.00 0.00 54.13 55.52 1g3g s LEU 123 Cb -0.09 -3.54 -0.13 0.00 0.50 0.00 0.00 46.19 42.93 1g3g s LEU 123 CO 0.02 -0.82 0.80 -0.11 -1.32 0.00 0.00 176.35 174.92 1g3g n LEU 124 N 6.80 0.99 -4.27 -0.68 7.94 0.30 -4.83 117.00 123.24 1g3g n LEU 124 Ca 0.15 1.06 -0.21 0.00 -1.11 0.00 0.00 56.01 55.91 1g3g n LEU 124 Cb 0.44 -1.20 -0.12 0.00 0.53 0.00 0.00 43.42 43.07 1g3g n LEU 124 CO 0.58 -2.08 -0.48 -0.44 -1.11 0.00 0.00 177.39 173.86 1g3g s SER 125 N -0.77 2.28 -0.29 1.96 0.01 -1.26 -4.86 113.70 110.77 1g3g s SER 125 Ca 0.61 -0.75 -0.29 0.00 1.31 0.00 0.00 55.95 56.83 1g3g s SER 125 Cb -0.67 -0.11 -0.01 0.00 0.21 0.00 0.00 66.02 65.44 1g3g s SER 125 CO 0.58 -0.04 1.50 -1.58 0.41 0.00 0.00 173.24 174.11 1g3g s GLN 126 N -2.32 3.76 -1.08 12.44 2.00 -1.26 -2.59 119.66 130.61 1g3g s GLN 126 Ca 0.08 1.39 0.00 0.00 -2.00 0.00 0.00 55.36 54.83 1g3g s GLN 126 Cb -0.07 -4.00 0.00 0.00 0.80 0.00 0.00 33.01 29.74 1g3g s GLN 126 CO 0.04 -1.33 0.00 0.41 -0.50 0.00 0.00 175.29 173.91 1g3g n GLY 127 N 4.69 0.27 3.54 2.59 0.00 -1.13 -4.98 105.19 110.17 1g3g n GLY 127 Ca 0.17 -0.41 -0.32 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 -0.16 -0.92 -3.76 1.61 -0.08 -0.99 -4.55 116.55 107.69 1g3g n ASP 128 Ca -0.13 0.37 -0.13 0.00 -1.51 0.00 0.00 54.79 53.39 1g3g n ASP 128 Cb 0.55 -1.34 -0.12 0.00 2.34 0.00 0.00 41.12 42.55 1g3g n ASP 128 CO 0.00 0.00 0.00 -0.70 0.12 0.00 0.00 177.20 176.62 1g3g s GLU 129 N -4.11 0.25 -0.13 -0.67 2.12 -1.26 0.11 118.70 115.00 1g3g s GLU 129 Ca 0.62 0.43 0.01 0.00 0.36 0.00 0.00 54.97 56.39 1g3g s GLU 129 Cb -0.22 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 1g3g s GLU 129 CO 0.63 -0.09 -0.16 0.42 -0.54 0.00 0.00 175.26 175.51 1g3g s ILE 130 N 0.65 2.68 -0.00 -3.70 1.01 0.39 -0.69 121.20 121.54 1g3g s ILE 130 Ca -0.04 -0.78 -0.01 0.00 0.00 0.00 0.00 60.65 59.82 1g3g s ILE 130 Cb -0.06 -2.11 -0.04 0.00 0.01 0.00 0.00 42.46 40.27 1g3g s ILE 130 CO -0.04 0.53 0.11 -0.89 0.00 0.00 0.00 174.94 174.65 1g3g s THR 131 N 0.54 4.92 0.05 2.92 2.01 0.43 0.12 115.64 126.63 1g3g s THR 131 Ca -0.10 -0.36 -0.02 0.00 0.31 0.00 0.00 61.69 61.52 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 0.33 0.01 0.68 -0.69 0.00 0.00 174.62 174.99 1g3g s VAL 132 N -1.24 0.19 -0.65 3.82 -7.23 0.36 0.16 120.40 115.81 1g3g s VAL 132 Ca 0.24 -1.57 -0.03 0.00 -1.81 0.00 0.00 61.98 58.81 1g3g s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1g3g s VAL 132 CO 0.16 -0.87 0.56 0.61 -0.31 0.00 0.00 175.10 175.25 1g3g n GLY 133 N 0.32 0.13 3.85 2.32 0.00 -1.26 -0.36 105.19 110.20 1g3g n GLY 133 Ca -0.16 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.35 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 -3.17 4.61 0.00 1.61 1.01 -1.26 -3.76 120.40 119.44 1g3g s VAL 134 Ca 0.17 1.05 0.00 0.00 0.00 0.00 0.00 61.98 63.21 1g3g s VAL 134 Cb -0.08 -3.78 0.00 0.00 0.00 0.00 0.00 36.38 32.53 1g3g s VAL 134 CO 0.37 -0.84 0.00 0.61 0.00 0.00 0.00 175.10 175.23 1g3g n GLY 135 N -1.98 3.27 3.08 4.51 0.00 -1.26 -5.03 105.19 107.78 1g3g n GLY 135 Ca 0.06 -0.45 -0.26 0.00 0.00 0.00 0.00 46.02 45.37 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 0.43 1.61 1.01 -1.26 -5.02 120.40 118.50 1g3g s VAL 136 Ca 0.00 -0.62 0.20 0.00 0.00 0.00 0.00 61.98 61.56 1g3g s VAL 136 Cb 0.00 -1.18 0.40 0.00 0.00 0.00 0.00 36.38 35.59 1g3g s VAL 136 CO 0.00 0.40 1.84 1.05 0.00 0.00 0.00 175.10 178.39 1g3g h GLU 137 N 6.68 0.34 -0.36 2.72 4.11 -1.99 0.41 114.58 126.49 1g3g h GLU 137 Ca -0.30 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.11 1g3g h GLU 137 Cb 1.19 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 30.36 1g3g h GLU 137 CO 0.48 0.23 0.00 0.43 0.07 0.00 0.00 179.01 180.21 1g3g n SER 138 N -4.50 2.61 -0.94 3.06 7.64 -1.26 -4.16 113.62 116.07 1g3g n SER 138 Ca 0.20 -1.90 0.05 0.00 1.01 0.00 0.00 58.87 58.23 1g3g n SER 138 Cb 0.77 -0.23 0.14 0.00 -1.01 0.00 0.00 64.21 63.88 1g3g n SER 138 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 1g3g n ASP 139 N 0.93 1.57 -4.68 6.43 2.03 0.14 -5.04 116.55 117.93 1g3g n ASP 139 Ca 0.18 -3.28 -0.34 0.00 0.52 0.00 0.00 54.79 51.86 1g3g n ASP 139 Cb 0.45 -0.45 -0.09 0.00 -0.72 0.00 0.00 41.12 40.31 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1g3g s ILE 140 N -2.27 4.25 -0.06 5.18 1.01 -1.13 -4.45 121.20 123.73 1g3g s ILE 140 Ca 0.37 -0.35 0.06 0.00 0.00 0.00 0.00 60.65 60.73 1g3g s ILE 140 Cb 0.38 -2.81 -0.01 0.00 0.01 0.00 0.00 42.46 40.02 1g3g s ILE 140 CO -0.10 0.55 -0.25 -0.76 0.00 0.00 0.00 174.94 174.38 1g3g s LEU 141 N -1.06 2.09 0.15 2.97 1.43 0.51 -4.99 118.68 119.78 1g3g s LEU 141 Ca 0.15 -0.51 0.10 0.00 -1.03 0.00 0.00 54.13 52.84 1g3g s LEU 141 Cb -0.11 -1.38 -0.04 0.00 0.03 0.00 0.00 46.19 44.69 1g3g s LEU 141 CO 0.04 0.24 -0.18 -0.55 0.23 0.00 0.00 176.35 176.14 1g3g s SER 142 N -0.16 3.83 -0.07 2.29 0.15 -1.26 0.14 113.70 118.62 1g3g s SER 142 Ca -0.04 -0.64 0.02 0.00 0.70 0.00 0.00 55.95 55.99 1g3g s SER 142 Cb -0.14 -0.50 0.01 0.00 -1.71 0.00 0.00 66.02 63.69 1g3g s SER 142 CO 0.04 0.15 -0.12 -0.76 1.20 0.00 0.00 173.24 173.74 1g3g s LEU 143 N -2.40 1.64 -0.04 3.45 1.02 0.33 -4.17 118.68 118.52 1g3g s LEU 143 Ca 0.20 -0.31 0.05 0.00 0.02 0.00 0.00 54.13 54.09 1g3g s LEU 143 Cb -0.10 -0.85 -0.03 0.00 0.02 0.00 0.00 46.19 45.24 1g3g s LEU 143 CO 0.11 0.03 -0.17 -0.69 0.02 0.00 0.00 176.35 175.65 1g3g s VAL 144 N 0.70 2.86 -0.15 -1.59 1.01 -0.98 0.15 120.40 122.40 1g3g s VAL 144 Ca -0.14 -0.83 0.00 0.00 0.00 0.00 0.00 61.98 61.01 1g3g s VAL 144 Cb -0.16 -2.11 -0.00 0.00 0.00 0.00 0.00 36.38 34.11 1g3g s VAL 144 CO 0.03 0.57 -0.15 -0.63 0.00 0.00 0.00 175.10 174.92 1g3g s ILE 145 N -0.73 2.68 -0.22 2.22 1.09 0.29 0.18 121.20 126.72 1g3g s ILE 145 Ca 0.12 -0.77 -0.05 0.00 -1.10 0.00 0.00 60.65 58.85 1g3g s ILE 145 Cb -0.10 -2.13 -0.02 0.00 -1.06 0.00 0.00 42.46 39.15 1g3g s ILE 145 CO 0.01 0.52 -0.01 0.12 -0.10 0.00 0.00 174.94 175.48 1g3g s PHE 146 N 0.73 3.01 -0.17 3.97 5.36 0.40 -2.36 117.98 128.92 1g3g s PHE 146 Ca -0.07 -0.66 -0.08 0.00 -0.96 0.00 0.00 56.93 55.16 1g3g s PHE 146 Cb -0.16 -2.12 -0.04 0.00 -0.34 0.00 0.00 43.02 40.36 1g3g s PHE 146 CO 0.01 -0.39 0.12 0.42 -1.46 0.00 0.00 175.22 173.92 1g3g s ILE 147 N 1.31 5.31 -0.12 3.12 -1.09 -1.26 0.24 121.20 128.71 1g3g s ILE 147 Ca 0.04 0.15 -0.27 0.00 -2.23 0.00 0.00 60.65 58.34 1g3g s ILE 147 Cb -0.15 -3.38 -0.02 0.00 -1.58 0.00 0.00 42.46 37.34 1g3g s ILE 147 CO 0.00 0.51 0.90 0.54 -1.23 0.00 0.00 174.94 175.66 1g3g s ASN 148 N -0.13 7.11 0.52 3.58 4.22 -1.26 -4.91 114.94 124.08 1g3g s ASN 148 Ca 0.10 1.36 0.30 0.00 -2.14 0.00 0.00 52.86 52.48 1g3g s ASN 148 Cb -0.12 -2.50 1.38 0.00 1.28 0.00 0.00 41.25 41.29 1g3g s ASN 148 CO 0.00 -0.38 2.01 -2.24 -2.04 0.00 0.00 177.10 174.45 1g3g h ASP 149 N 7.13 0.00 -0.99 3.54 2.03 -1.96 -2.87 116.42 123.30 1g3g h ASP 149 Ca -0.32 0.00 0.07 0.00 -0.73 0.00 0.00 57.03 56.05 1g3g h ASP 149 Cb 1.15 0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.58 1g3g h ASP 149 CO 0.83 0.10 0.64 0.11 -1.03 0.00 0.00 179.24 179.89 1g3g h LYS 150 N 0.00 1.12 -0.85 4.15 1.57 -1.89 -1.42 116.57 119.25 1g3g h LYS 150 Ca -0.00 -0.07 -0.00 0.00 -1.87 0.00 0.00 60.65 58.71 1g3g h LYS 150 Cb 0.47 -0.25 -0.04 0.00 0.08 0.00 0.00 32.23 32.49 1g3g h LYS 150 CO 0.01 0.74 0.53 0.35 -0.57 0.00 0.00 179.45 180.51 1g3g h PHE 151 N 1.15 1.10 -0.60 -1.35 3.04 -1.58 -1.84 116.94 116.86 1g3g h PHE 151 Ca 0.43 0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.42 1g3g h PHE 151 Cb 0.18 -0.36 -0.03 0.00 2.56 0.00 0.00 35.95 38.29 1g3g h PHE 151 CO -0.01 0.72 0.40 0.87 -2.02 0.00 0.00 178.31 178.27 1g3g h LYS 152 N 1.16 0.69 -0.45 1.11 1.57 -1.39 -1.86 116.57 117.40 1g3g h LYS 152 Ca 0.31 -0.04 -0.13 0.00 -1.87 0.00 0.00 60.65 58.91 1g3g h LYS 152 Cb -0.08 -0.16 -0.01 0.00 0.08 0.00 0.00 32.23 32.07 1g3g h LYS 152 CO -0.06 0.46 -0.23 1.96 -0.57 0.00 0.00 179.45 181.00 1g3g h GLN 153 N 0.71 0.96 -0.47 3.15 4.20 -1.03 -1.75 115.11 120.88 1g3g h GLN 153 Ca 0.24 -0.42 0.02 0.00 0.06 0.00 0.00 58.65 58.55 1g3g h GLN 153 Cb 0.08 -0.02 -0.03 0.00 0.30 0.00 0.00 27.48 27.81 1g3g h GLN 153 CO -0.07 1.09 0.27 0.00 -0.67 0.00 0.00 178.83 179.46 1g3g h LEU 155 N 0.55 0.58 -1.14 0.00 -0.00 -1.40 0.85 115.31 114.75 1g3g h LEU 155 Ca 0.19 -0.23 -0.03 0.00 -0.00 0.00 0.00 57.88 57.81 1g3g h LEU 155 Cb 0.02 -0.16 -0.03 0.00 -0.00 0.00 0.00 40.66 40.49 1g3g h LEU 155 CO -0.09 0.87 0.24 -0.33 -0.00 0.00 0.00 178.44 179.13 1g3g h GLU 156 N 0.48 0.85 0.07 1.13 5.08 -0.74 -3.10 114.58 118.35 1g3g h GLU 156 Ca 0.06 -0.13 -0.35 0.00 -1.00 0.00 0.00 59.36 57.94 1g3g h GLU 156 Cb 0.79 -0.15 -0.04 0.00 0.50 0.00 0.00 28.75 29.85 1g3g h GLU 156 CO 0.06 0.69 -2.00 1.04 -1.00 0.00 0.00 179.01 177.80 1g3g n GLN 157 N -4.33 0.71 -3.03 2.33 3.00 -0.62 -4.95 117.38 110.48 1g3g n GLN 157 Ca 0.05 0.24 -0.13 0.00 -0.01 0.00 0.00 57.00 57.15 1g3g n GLN 157 Cb 0.16 -1.70 -0.02 0.00 0.00 0.00 0.00 30.24 28.68 1g3g n GLN 157 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.06 177.33 1g3g n ASN 158 N -3.28 -1.89 -4.34 1.08 0.23 0.29 -4.90 115.26 102.45 1g3g n ASN 158 Ca -0.29 -0.02 -0.22 0.00 -0.53 0.00 0.00 54.58 53.52 1g3g n ASN 158 Cb 1.05 -1.69 -0.11 0.00 -2.08 0.00 0.00 39.78 36.95 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 -5.60 1.31 -0.23 -3.83 1.02 -1.26 -5.08 119.74 106.06 1g3g s LYS 159 Ca 0.23 -1.46 -0.09 0.00 0.02 0.00 0.00 55.97 54.67 1g3g s LYS 159 Cb -0.13 -1.34 -0.04 0.00 -0.52 0.00 0.00 37.83 35.80 1g3g s LYS 159 CO 0.28 0.27 0.11 0.14 -0.92 0.00 0.00 175.35 175.23 1g3g s VAL 160 N -2.19 4.92 0.00 3.17 -7.23 -1.26 -5.04 120.40 112.77 1g3g s VAL 160 Ca 0.18 0.03 0.00 0.00 -1.81 0.00 0.00 61.98 60.37 1g3g s VAL 160 Cb -0.05 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.61 1g3g s VAL 160 CO 0.07 0.36 0.00 -0.67 -0.31 0.00 0.00 175.10 174.55 1g3g n ASP 161 N 4.38 0.00 -2.05 4.85 -0.08 -1.26 -5.06 116.55 117.33 1g3g n ASP 161 Ca -0.16 -0.94 -0.04 0.00 -1.51 0.00 0.00 54.79 52.14 1g3g n ASP 161 Cb 0.52 0.00 0.06 0.00 2.34 0.00 0.00 41.12 44.04 1g3g n ASP 161 CO 0.00 0.00 0.00 -2.11 0.12 0.00 0.00 177.20 175.21 1g3g n ARG 162 N 0.00 1.78 -3.53 -0.67 1.85 -1.26 -5.07 116.66 109.77 1g3g n ARG 162 Ca 0.00 -3.31 -0.37 0.00 -1.00 0.00 0.00 57.85 53.18 1g3g n ARG 162 Cb 0.00 -1.41 -0.07 0.00 -1.05 0.00 0.00 32.46 29.93 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 -3.08 5.27 -2.07 8.89 -1.09 -1.26 -5.36 121.20 122.50 1g3g s ILE 163 Ca 0.36 0.61 0.31 0.00 -2.23 0.00 0.00 60.65 59.70 1g3g s ILE 163 Cb 0.36 -3.65 0.86 0.00 -1.58 0.00 0.00 42.46 38.45 1g3g s ILE 163 CO -0.05 0.41 2.16 0.54 -1.23 0.00 0.00 174.94 176.77