#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 2.59 -0.18 1.61 -6.30 -1.26 -5.03 118.70 110.13 1g3g s GLU 2 Ca 0.00 -3.25 -0.30 0.00 -2.50 0.00 0.00 54.97 48.92 1g3g s GLU 2 Cb 0.00 -3.54 0.14 0.00 0.00 0.00 0.00 34.13 30.74 1g3g s GLU 2 CO 0.00 -1.26 1.10 1.21 0.02 0.00 0.00 175.26 176.32 1g3g s ASN 3 N -1.03 -0.27 -0.14 -1.70 3.84 -1.26 -5.16 114.94 109.23 1g3g s ASN 3 Ca 0.24 0.25 -0.06 0.00 0.21 0.00 0.00 52.86 53.50 1g3g s ASN 3 Cb -0.07 0.23 -0.04 0.00 -0.55 0.00 0.00 41.25 40.81 1g3g s ASN 3 CO -0.14 -0.28 0.08 -0.63 -2.79 0.00 0.00 177.10 173.34 1g3g s ILE 4 N -1.36 4.98 0.09 -5.21 -1.09 -1.26 -5.11 121.20 112.23 1g3g s ILE 4 Ca 0.02 0.02 0.02 0.00 -2.23 0.00 0.00 60.65 58.48 1g3g s ILE 4 Cb -0.01 -3.18 -0.04 0.00 -1.58 0.00 0.00 42.46 37.65 1g3g s ILE 4 CO -0.02 0.55 -0.07 0.42 -1.23 0.00 0.00 174.94 174.59 1g3g s THR 5 N -0.46 0.67 -0.25 2.92 -4.23 -1.26 -5.14 115.64 107.89 1g3g s THR 5 Ca 0.10 -1.74 -0.02 0.00 -1.18 0.00 0.00 61.69 58.85 1g3g s THR 5 Cb -0.12 -1.44 0.02 0.00 1.34 0.00 0.00 72.50 72.31 1g3g s THR 5 CO 0.02 -0.75 -0.05 -1.58 -0.54 0.00 0.00 174.62 171.71 1g3g s GLN 6 N -3.30 2.87 -0.39 3.99 2.00 -1.26 -5.06 119.66 118.51 1g3g s GLN 6 Ca 0.07 -0.96 -0.34 0.00 -2.00 0.00 0.00 55.36 52.12 1g3g s GLN 6 Cb 0.02 -3.01 -0.12 0.00 0.80 0.00 0.00 33.01 30.70 1g3g s GLN 6 CO -0.03 -0.40 2.23 -2.30 -0.50 0.00 0.00 175.29 174.29 1g3g n PRO 7 N 4.68 1.02 0.00 1.67 -0.02 -1.26 -4.77 135.00 136.33 1g3g n PRO 7 Ca -0.16 0.26 0.02 0.00 -2.02 0.00 0.00 63.50 61.60 1g3g n PRO 7 Cb 0.47 -2.48 -0.02 0.00 -0.02 0.00 0.00 33.50 31.45 1g3g n PRO 7 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1g3g n THR 8 N 7.27 0.00 0.00 3.45 -1.04 -1.26 -5.02 114.28 117.68 1g3g n THR 8 Ca 0.42 -0.39 0.00 0.00 -2.04 0.00 0.00 64.05 62.04 1g3g n THR 8 Cb 0.24 1.01 0.00 0.00 -1.82 0.00 0.00 70.33 69.76 1g3g n THR 8 CO 0.00 0.00 0.00 1.67 -0.64 0.00 0.00 175.07 176.10 1g3g n GLN 9 N -0.98 0.00 -3.15 -2.82 -0.06 -1.26 -4.32 117.38 104.79 1g3g n GLN 9 Ca 0.01 0.00 0.05 0.00 -2.00 0.00 0.00 57.00 55.06 1g3g n GLN 9 Cb 0.08 0.00 -0.01 0.00 -4.06 0.00 0.00 30.24 26.25 1g3g n GLN 9 CO 0.00 0.00 0.00 1.14 -0.20 0.00 0.00 177.06 178.00 1g3g s GLN 10 N 0.00 0.31 0.12 3.69 -2.07 -1.26 -5.17 119.66 115.28 1g3g s GLN 10 Ca 0.00 0.49 -0.10 0.00 -1.82 0.00 0.00 55.36 53.93 1g3g s GLN 10 Cb 0.00 0.26 0.00 0.00 -1.09 0.00 0.00 33.01 32.19 1g3g s GLN 10 CO 0.00 -0.41 0.27 0.45 -1.32 0.00 0.00 175.29 174.28 1g3g s SER 11 N 2.92 0.02 0.43 12.60 0.15 -1.26 -5.18 113.70 123.38 1g3g s SER 11 Ca 0.10 -0.66 0.03 0.00 0.70 0.00 0.00 55.95 56.13 1g3g s SER 11 Cb -0.10 0.40 -0.03 0.00 -1.71 0.00 0.00 66.02 64.58 1g3g s SER 11 CO -0.17 -0.81 0.07 0.28 1.20 0.00 0.00 173.24 173.81 1g3g s THR 12 N -3.88 0.99 -0.46 6.45 -1.32 -1.26 -5.12 115.64 111.04 1g3g s THR 12 Ca 0.08 -2.00 -0.10 0.00 -1.21 0.00 0.00 61.69 58.47 1g3g s THR 12 Cb 0.04 -2.41 0.11 0.00 -1.51 0.00 0.00 72.50 68.72 1g3g s THR 12 CO -0.08 0.00 0.33 -1.10 -2.21 0.00 0.00 174.62 171.57 1g3g s GLN 13 N -3.79 2.57 0.11 7.08 -0.21 -1.26 -4.67 119.66 119.49 1g3g s GLN 13 Ca 0.21 -1.66 0.00 0.00 0.02 0.00 0.00 55.36 53.93 1g3g s GLN 13 Cb 0.04 -3.92 0.00 0.00 1.00 0.00 0.00 33.01 30.13 1g3g s GLN 13 CO 0.11 -1.13 0.00 0.00 -2.12 0.00 0.00 175.29 172.15 1g3g n ALA 14 N 4.95 0.00 -2.42 6.09 0.00 -1.26 -5.02 120.51 122.84 1g3g n ALA 14 Ca -0.09 0.00 -0.17 0.00 0.00 0.00 0.00 53.44 53.18 1g3g n ALA 14 Cb 0.41 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.86 1g3g n ALA 14 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1g3g n THR 15 N -2.68 -0.79 -0.08 0.00 -2.24 -1.26 -4.87 114.28 102.37 1g3g n THR 15 Ca 0.00 0.00 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1g3g n THR 15 Cb 0.00 -2.37 -0.03 0.00 -2.10 0.00 0.00 70.33 65.84 1g3g n THR 15 CO 0.00 0.00 0.00 -0.61 -0.57 0.00 0.00 175.07 173.89 1g3g h GLN 16 N 0.00 0.39 -0.38 -0.78 5.75 -1.99 -1.89 115.11 116.21 1g3g h GLN 16 Ca -0.39 -0.05 -0.10 0.00 -0.15 0.00 0.00 58.65 57.95 1g3g h GLN 16 Cb 1.29 -0.07 -0.02 0.00 1.07 0.00 0.00 27.48 29.75 1g3g h GLN 16 CO 0.47 0.36 -0.18 -0.09 -2.65 0.00 0.00 178.83 176.74 1g3g h ARG 17 N 0.31 0.71 -0.53 1.69 2.43 -2.01 -2.79 114.38 114.21 1g3g h ARG 17 Ca 0.09 -0.26 -0.02 0.00 -0.81 0.00 0.00 59.98 58.99 1g3g h ARG 17 Cb 0.10 -0.05 -0.03 0.00 -0.42 0.00 0.00 29.97 29.57 1g3g h ARG 17 CO -0.01 0.85 0.26 0.35 -1.51 0.00 0.00 179.97 179.90 1g3g h PHE 18 N 0.64 0.72 -0.55 2.20 3.04 -1.88 -2.31 116.94 118.80 1g3g h PHE 18 Ca 0.10 -0.02 -0.06 0.00 3.98 0.00 0.00 57.97 61.97 1g3g h PHE 18 Cb 0.65 -0.23 -0.02 0.00 2.56 0.00 0.00 35.95 38.91 1g3g h PHE 18 CO 0.03 0.53 0.11 -0.07 -2.02 0.00 0.00 178.31 176.89 1g3g h LEU 19 N 0.73 0.85 -0.68 0.59 3.38 -1.07 -2.70 115.31 116.41 1g3g h LEU 19 Ca 0.18 -0.24 -0.03 0.00 0.09 0.00 0.00 57.88 57.88 1g3g h LEU 19 Cb 0.07 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.57 1g3g h LEU 19 CO -0.03 0.87 0.32 0.40 0.09 0.00 0.00 178.44 180.10 1g3g h ILE 20 N 0.78 1.23 -0.41 1.22 1.08 -1.33 -1.85 117.51 118.23 1g3g h ILE 20 Ca 0.17 -0.66 0.03 0.00 -0.39 0.00 0.00 64.86 64.01 1g3g h ILE 20 Cb 0.37 0.41 -0.04 0.00 -3.07 0.00 0.00 36.82 34.49 1g3g h ILE 20 CO 0.01 0.27 0.20 -0.08 -0.69 0.00 0.00 178.15 177.86 1g3g h GLU 21 N 0.95 0.40 -0.24 2.37 4.22 -1.26 -1.98 114.58 119.04 1g3g h GLU 21 Ca 0.23 -0.02 -0.07 0.00 0.08 0.00 0.00 59.36 59.58 1g3g h GLU 21 Cb 0.13 -0.09 -0.01 0.00 0.50 0.00 0.00 28.75 29.28 1g3g h GLU 21 CO -0.03 0.26 -0.16 -0.22 -2.18 0.00 0.00 179.01 176.68 1g3g h LYS 22 N 0.41 0.40 -0.26 1.92 1.63 -1.27 -2.98 116.57 116.43 1g3g h LYS 22 Ca 0.18 -0.12 0.01 0.00 -0.85 0.00 0.00 60.65 59.87 1g3g h LYS 22 Cb 0.09 -0.04 -0.02 0.00 -0.60 0.00 0.00 32.23 31.65 1g3g h LYS 22 CO -0.13 0.56 0.14 0.35 -3.45 0.00 0.00 179.45 176.92 1g3g h PHE 23 N 0.37 0.25 -0.38 1.91 3.57 -0.60 0.81 116.94 122.87 1g3g h PHE 23 Ca 0.07 0.01 0.08 0.00 3.53 0.00 0.00 57.97 61.66 1g3g h PHE 23 Cb 0.51 -0.08 -0.02 0.00 2.79 0.00 0.00 35.95 39.15 1g3g h PHE 23 CO 0.01 0.14 0.27 0.66 -2.23 0.00 0.00 178.31 177.16 1g3g h SER 24 N 0.28 0.14 0.50 0.41 4.64 -1.30 -1.55 113.55 116.68 1g3g h SER 24 Ca 0.10 0.00 -0.29 0.00 -0.47 0.00 0.00 61.79 61.13 1g3g h SER 24 Cb 0.02 -0.03 -0.04 0.00 -0.31 0.00 0.00 62.40 62.04 1g3g h SER 24 CO -0.06 0.09 -1.64 -0.61 -0.87 0.00 0.00 176.83 173.73 1g3g h GLN 25 N 0.16 0.06 -5.86 4.77 -0.00 -1.30 -3.45 115.11 109.49 1g3g h GLN 25 Ca 0.18 -0.10 -0.59 0.00 -0.00 0.00 0.00 58.65 58.14 1g3g h GLN 25 Cb 0.49 0.04 -0.08 0.00 0.00 0.00 0.00 27.48 27.93 1g3g h GLN 25 CO -0.03 0.71 0.46 -2.00 0.00 0.00 0.00 178.83 177.97 1g3g s GLU 26 N -2.61 4.23 -0.05 1.69 2.56 0.27 -5.04 118.70 119.75 1g3g s GLU 26 Ca -0.07 0.99 -0.06 0.00 0.00 0.00 0.00 54.97 55.83 1g3g s GLU 26 Cb 0.08 -3.62 -0.04 0.00 2.00 0.00 0.00 34.13 32.55 1g3g s GLU 26 CO 0.82 -0.46 0.20 -0.65 -0.56 0.00 0.00 175.26 174.61 1g3g s GLN 27 N 2.62 3.51 0.19 4.30 -0.21 -1.26 -4.76 119.66 124.05 1g3g s GLN 27 Ca 0.37 -0.12 -0.28 0.00 0.02 0.00 0.00 55.36 55.35 1g3g s GLN 27 Cb -0.16 -3.14 -0.08 0.00 1.00 0.00 0.00 33.01 30.63 1g3g s GLN 27 CO 0.09 0.72 0.86 0.42 -2.12 0.00 0.00 175.29 175.26 1g3g s ILE 28 N -1.17 4.25 0.00 1.08 -1.09 -1.26 -4.18 121.20 118.83 1g3g s ILE 28 Ca 0.22 1.90 0.00 0.00 -2.23 0.00 0.00 60.65 60.54 1g3g s ILE 28 Cb -0.13 -4.24 0.00 0.00 -1.58 0.00 0.00 42.46 36.52 1g3g s ILE 28 CO 0.11 0.50 0.00 0.61 -1.23 0.00 0.00 174.94 174.93 1g3g n GLY 29 N 1.61 1.53 0.10 6.18 0.00 -1.26 -5.02 105.19 108.33 1g3g n GLY 29 Ca -0.03 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.87 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 0.34 0.08 0.00 1.61 4.11 -1.98 -3.37 114.58 115.37 1g3g h GLU 30 Ca 0.00 -0.13 0.00 0.00 0.07 0.00 0.00 59.36 59.30 1g3g h GLU 30 Cb 0.00 0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1g3g h GLU 30 CO 0.00 0.72 -0.96 0.09 0.07 0.00 0.00 179.01 178.93 1g3g n ASN 31 N -3.18 1.31 -4.55 3.06 3.02 -1.26 -4.09 115.26 109.56 1g3g n ASN 31 Ca -0.19 -0.44 -0.37 0.00 -0.03 0.00 0.00 54.58 53.55 1g3g n ASN 31 Cb 1.05 1.23 -0.03 0.00 -0.61 0.00 0.00 39.78 41.41 1g3g n ASN 31 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1g3g s ILE 32 N -2.38 3.42 0.11 2.41 -1.09 -1.26 -2.65 121.20 119.75 1g3g s ILE 32 Ca 0.01 0.12 -0.21 0.00 -2.23 0.00 0.00 60.65 58.34 1g3g s ILE 32 Cb 0.08 -4.07 -0.05 0.00 -1.58 0.00 0.00 42.46 36.84 1g3g s ILE 32 CO 0.47 -1.04 1.08 0.55 -1.23 0.00 0.00 174.94 174.78 1g3g n VAL 33 N 7.21 -0.46 -3.53 2.92 3.14 -1.13 -4.56 118.33 121.93 1g3g n VAL 33 Ca 0.22 1.70 -0.18 0.00 -2.96 0.00 0.00 64.34 63.12 1g3g n VAL 33 Cb 0.51 -2.11 -0.06 0.00 -1.06 0.00 0.00 33.84 31.12 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 -1.09 2.71 -0.18 0.00 1.81 0.24 0.13 118.95 122.56 1g3g s ARG 35 Ca -0.10 -1.05 -0.20 0.00 -1.72 0.00 0.00 55.73 52.66 1g3g s ARG 35 Cb -0.00 -2.91 -0.03 0.00 -0.45 0.00 0.00 34.95 31.56 1g3g s ARG 35 CO 0.09 -0.42 0.57 0.08 -0.68 0.00 0.00 175.30 174.95 1g3g s VAL 36 N 1.27 5.07 -0.26 3.52 1.01 0.91 0.17 120.40 132.09 1g3g s VAL 36 Ca -0.01 1.08 0.02 0.00 0.00 0.00 0.00 61.98 63.07 1g3g s VAL 36 Cb -0.17 -3.90 0.07 0.00 0.00 0.00 0.00 36.38 32.38 1g3g s VAL 36 CO -0.06 0.16 -0.06 -0.63 0.00 0.00 0.00 175.10 174.52 1g3g s ILE 37 N 1.63 1.83 -0.73 2.22 1.01 0.39 -0.76 121.20 126.79 1g3g s ILE 37 Ca 0.27 -1.52 -0.27 0.00 0.00 0.00 0.00 60.65 59.13 1g3g s ILE 37 Cb -0.16 -2.08 0.02 0.00 0.01 0.00 0.00 42.46 40.26 1g3g s ILE 37 CO 0.10 -0.16 1.35 0.00 0.00 0.00 0.00 174.94 176.24 1g3g h THR 39 N 6.15 0.94 0.00 0.00 1.03 -1.88 -3.33 112.91 115.82 1g3g h THR 39 Ca -0.27 -2.65 0.00 0.00 -0.01 0.00 0.00 66.41 63.49 1g3g h THR 39 Cb 1.06 2.42 0.00 0.00 -1.07 0.00 0.00 68.15 70.56 1g3g h THR 39 CO 1.28 0.54 0.06 0.71 -0.01 0.00 0.00 175.52 178.09 1g3g h THR 40 N 0.00 0.00 -1.37 0.00 1.35 -1.88 -3.46 112.91 107.56 1g3g h THR 40 Ca -0.18 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.68 1g3g h THR 40 Cb 1.82 0.77 0.00 0.00 -1.73 0.00 0.00 68.15 69.01 1g3g h THR 40 CO 0.08 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.96 1g3g n GLY 41 N -1.17 0.27 1.62 5.82 0.00 -1.25 -4.95 105.19 105.53 1g3g n GLY 41 Ca -0.02 -0.48 0.00 0.00 0.00 0.00 0.00 46.02 45.52 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 -0.42 0.00 -4.24 1.61 10.64 -1.26 -5.10 117.38 118.60 1g3g n GLN 42 Ca 0.00 0.00 -0.18 0.00 -1.83 0.00 0.00 57.00 54.99 1g3g n GLN 42 Cb 0.19 -0.08 -0.15 0.00 -0.86 0.00 0.00 30.24 29.34 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 -1.81 0.55 0.55 -0.39 1.01 -1.26 -5.14 121.20 114.72 1g3g s ILE 43 Ca 0.00 -0.27 -0.21 0.00 0.00 0.00 0.00 60.65 60.17 1g3g s ILE 43 Cb 0.00 -0.49 -0.05 0.00 0.01 0.00 0.00 42.46 41.93 1g3g s ILE 43 CO 0.00 0.17 1.27 -2.65 0.00 0.00 0.00 174.94 173.73 1g3g n PRO 44 N 3.12 1.52 -1.56 2.79 -0.02 -1.26 -4.11 135.00 135.48 1g3g n PRO 44 Ca -0.16 0.56 -0.54 0.00 -2.02 0.00 0.00 63.50 61.34 1g3g n PRO 44 Cb 0.56 -2.47 -0.07 0.00 -0.02 0.00 0.00 33.50 31.51 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 -1.13 0.00 -5.20 4.25 5.41 -1.26 -4.75 119.36 116.67 1g3g n ILE 45 Ca 0.11 -0.00 -0.32 0.00 1.00 0.00 0.00 62.75 63.54 1g3g n ILE 45 Cb 0.45 -0.55 -0.17 0.00 -0.71 0.00 0.00 39.64 38.66 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 0.34 2.95 -0.23 0.38 6.06 0.06 -5.03 118.95 123.48 1g3g s ARG 46 Ca 0.87 -0.87 -0.07 0.00 -2.50 0.00 0.00 55.73 53.16 1g3g s ARG 46 Cb -1.06 -2.25 -0.03 0.00 0.06 0.00 0.00 34.95 31.67 1g3g s ARG 46 CO 0.50 0.20 0.06 0.16 -2.50 0.00 0.00 175.30 173.73 1g3g s ASP 47 N 0.29 5.21 -0.14 -2.12 1.47 -1.26 -0.07 116.67 120.05 1g3g s ASP 47 Ca -0.17 -0.15 -0.12 0.00 1.18 0.00 0.00 52.55 53.29 1g3g s ASP 47 Cb -0.17 -1.92 -0.05 0.00 -0.34 0.00 0.00 42.92 40.43 1g3g s ASP 47 CO 0.08 0.01 0.24 -0.76 0.68 0.00 0.00 175.17 175.42 1g3g s LEU 48 N 1.33 4.30 0.18 2.11 1.43 0.34 -4.95 118.68 123.42 1g3g s LEU 48 Ca 0.05 0.50 0.02 0.00 -1.03 0.00 0.00 54.13 53.67 1g3g s LEU 48 Cb -0.15 -2.27 -0.05 0.00 0.03 0.00 0.00 46.19 43.76 1g3g s LEU 48 CO 0.03 0.22 -0.00 -0.44 0.23 0.00 0.00 176.35 176.39 1g3g s SER 49 N -0.10 1.31 0.20 2.29 0.01 -1.26 -0.72 113.70 115.42 1g3g s SER 49 Ca 0.15 -1.18 -0.13 0.00 1.31 0.00 0.00 55.95 56.11 1g3g s SER 49 Cb -0.13 0.10 0.00 0.00 0.21 0.00 0.00 66.02 66.21 1g3g s SER 49 CO 0.04 -0.55 0.41 0.00 0.41 0.00 0.00 173.24 173.55 1g3g s ALA 50 N -3.62 -0.37 -0.12 1.44 0.00 -1.09 -4.57 121.76 113.44 1g3g s ALA 50 Ca 0.24 -0.66 -0.04 0.00 0.00 0.00 0.00 51.96 51.50 1g3g s ALA 50 Cb 0.06 0.91 -0.03 0.00 0.00 0.00 0.00 23.12 24.05 1g3g s ALA 50 CO 0.05 -0.75 0.02 -0.51 0.00 0.00 0.00 175.76 174.56 1g3g s ASP 51 N -2.95 5.34 0.23 0.00 1.01 -1.26 -4.43 116.67 114.61 1g3g s ASP 51 Ca 0.16 0.12 -0.06 0.00 0.71 0.00 0.00 52.55 53.48 1g3g s ASP 51 Cb 0.01 -1.67 0.23 0.00 1.01 0.00 0.00 42.92 42.50 1g3g s ASP 51 CO 0.01 0.31 1.78 0.40 0.21 0.00 0.00 175.17 177.87 1g3g h ILE 52 N 4.45 1.25 -0.61 0.77 1.08 -1.97 -2.68 117.51 119.80 1g3g h ILE 52 Ca -0.45 -0.88 0.11 0.00 -0.39 0.00 0.00 64.86 63.25 1g3g h ILE 52 Cb 1.19 0.51 -0.04 0.00 -3.07 0.00 0.00 36.82 35.41 1g3g h ILE 52 CO 0.59 0.34 0.41 -1.28 -0.69 0.00 0.00 178.15 177.52 1g3g h SER 53 N 1.01 0.35 -0.53 1.72 0.87 -2.00 -0.76 113.55 114.21 1g3g h SER 53 Ca 0.22 0.01 -0.03 0.00 -1.23 0.00 0.00 61.79 60.76 1g3g h SER 53 Cb 0.30 -0.06 -0.03 0.00 -0.44 0.00 0.00 62.40 62.17 1g3g h SER 53 CO -0.01 0.20 0.22 1.56 -0.53 0.00 0.00 176.83 178.28 1g3g h GLN 54 N 0.38 0.83 -0.06 2.24 1.08 -1.77 -2.05 115.11 115.76 1g3g h GLN 54 Ca 0.28 -0.13 -0.02 0.00 -1.45 0.00 0.00 58.65 57.33 1g3g h GLN 54 Cb 0.60 -0.15 -0.00 0.00 -0.05 0.00 0.00 27.48 27.88 1g3g h GLN 54 CO -0.08 0.69 -0.03 0.28 -0.95 0.00 0.00 178.83 178.74 1g3g h VAL 55 N 0.82 1.33 -0.49 -0.54 2.07 -1.23 0.63 116.25 118.85 1g3g h VAL 55 Ca 0.19 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.72 1g3g h VAL 55 Cb 0.17 1.91 -0.03 0.00 -1.52 0.00 0.00 31.29 31.83 1g3g h VAL 55 CO -0.02 0.29 0.33 0.25 0.02 0.00 0.00 177.57 178.44 1g3g h LEU 56 N -0.26 0.36 0.00 2.57 6.46 -1.33 -3.13 115.31 119.98 1g3g h LEU 56 Ca 0.01 0.00 -0.01 0.00 -0.12 0.00 0.00 57.88 57.76 1g3g h LEU 56 Cb 0.48 -0.08 -0.00 0.00 -0.73 0.00 0.00 40.66 40.33 1g3g h LEU 56 CO 0.01 0.23 -0.28 0.50 -0.62 0.00 0.00 178.44 178.28 1g3g h LYS 57 N 0.41 0.00 -5.61 1.25 3.64 -1.26 -3.50 116.57 111.50 1g3g h LYS 57 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.59 1g3g h LYS 57 Cb 0.33 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.15 1g3g h LYS 57 CO -0.05 0.10 -0.99 -1.91 -2.27 0.00 0.00 179.45 174.32 1g3g n GLU 58 N -4.68 -2.31 0.00 1.90 0.00 0.22 -4.97 120.64 110.80 1g3g n GLU 58 Ca -0.05 2.04 0.00 0.00 0.00 0.00 0.00 57.16 59.15 1g3g n GLU 58 Cb 0.17 -3.77 0.00 0.00 0.00 0.00 0.00 31.44 27.84 1g3g n GLU 58 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 1g3g n LYS 59 N 0.89 0.00 0.00 5.31 5.02 -1.26 -5.06 118.16 123.06 1g3g n LYS 59 Ca 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.29 1g3g n LYS 59 Cb 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.21 1g3g n LYS 59 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 1g3g n ARG 60 N -1.34 0.00 -2.74 1.97 1.74 -1.26 -4.73 116.66 110.31 1g3g n ARG 60 Ca 0.00 0.22 -0.42 0.00 -0.77 0.00 0.00 57.85 56.88 1g3g n ARG 60 Cb 0.00 -0.67 -0.03 0.00 -1.02 0.00 0.00 32.46 30.74 1g3g n ARG 60 CO 0.00 0.00 0.00 -1.12 -1.52 0.00 0.00 177.63 174.99 1g3g s SER 61 N -2.37 6.29 0.00 0.55 0.01 -1.26 -4.51 113.70 112.40 1g3g s SER 61 Ca 0.00 -1.06 0.00 0.00 1.31 0.00 0.00 55.95 56.20 1g3g s SER 61 Cb 0.00 -2.48 0.00 0.00 0.21 0.00 0.00 66.02 63.75 1g3g s SER 61 CO 0.00 -1.51 0.00 0.00 0.41 0.00 0.00 173.24 172.14 1g3g n ILE 62 N 6.13 0.00 -2.91 1.44 0.00 -1.26 -4.75 119.36 118.01 1g3g n ILE 62 Ca 0.08 0.00 -0.44 0.00 0.00 0.00 0.00 62.75 62.39 1g3g n ILE 62 Cb 0.48 -0.10 -0.01 0.00 0.00 0.00 0.00 39.64 40.01 1g3g n ILE 62 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 176.55 176.01 1g3g s LYS 63 N -1.27 3.86 -0.17 9.51 1.02 -1.26 -3.97 119.74 127.46 1g3g s LYS 63 Ca 0.00 -2.16 -0.07 0.00 0.02 0.00 0.00 55.97 53.77 1g3g s LYS 63 Cb 0.00 -5.03 -0.04 0.00 -0.52 0.00 0.00 37.83 32.24 1g3g s LYS 63 CO 0.00 -1.81 0.06 0.21 -0.92 0.00 0.00 175.35 172.89 1g3g s LYS 64 N 2.29 3.83 -0.03 1.68 2.20 -0.52 -4.95 119.74 124.23 1g3g s LYS 64 Ca 0.39 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.68 1g3g s LYS 64 Cb -0.03 -3.15 0.00 0.00 -1.51 0.00 0.00 37.83 33.14 1g3g s LYS 64 CO -0.04 0.35 -0.11 0.08 -0.36 0.00 0.00 175.35 175.28 1g3g s VAL 65 N 0.14 0.90 -0.12 4.02 1.01 -1.26 0.96 120.40 126.05 1g3g s VAL 65 Ca 0.04 -0.43 -0.07 0.00 0.00 0.00 0.00 61.98 61.52 1g3g s VAL 65 Cb -0.12 -0.79 -0.04 0.00 0.00 0.00 0.00 36.38 35.42 1g3g s VAL 65 CO 0.01 0.27 0.15 0.26 0.00 0.00 0.00 175.10 175.79 1g3g s TRP 66 N 0.15 3.60 -0.09 5.22 0.51 0.45 -4.89 118.94 123.89 1g3g s TRP 66 Ca -0.03 0.55 0.03 0.00 -2.12 0.00 0.00 56.10 54.53 1g3g s TRP 66 Cb -0.09 -1.96 0.01 0.00 -0.81 0.00 0.00 33.47 30.62 1g3g s TRP 66 CO 0.01 0.73 -0.19 0.99 -0.51 0.00 0.00 176.95 177.98 1g3g s THR 67 N -1.01 1.68 -0.30 2.01 2.01 -1.26 0.21 115.64 118.98 1g3g s THR 67 Ca 0.15 -0.79 -0.12 0.00 0.31 0.00 0.00 61.69 61.25 1g3g s THR 67 Cb -0.12 -1.48 -0.04 0.00 0.01 0.00 0.00 72.50 70.87 1g3g s THR 67 CO 0.04 0.48 0.20 -0.36 -0.69 0.00 0.00 174.62 174.29 1g3g s PHE 68 N 0.56 3.22 -5.00 4.92 0.08 0.33 0.30 117.98 122.39 1g3g s PHE 68 Ca -0.15 -0.05 0.00 0.00 0.12 0.00 0.00 56.93 56.85 1g3g s PHE 68 Cb -0.17 -2.41 0.00 0.00 -0.57 0.00 0.00 43.02 39.87 1g3g s PHE 68 CO 0.05 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.33 1g3g n GLY 69 N 5.07 -0.43 3.56 4.36 0.00 -1.22 -0.21 105.19 116.31 1g3g n GLY 69 Ca -0.14 -1.14 -0.37 0.00 0.00 0.00 0.00 46.02 44.38 1g3g n GLY 69 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1g3g s ARG 70 N -2.00 3.15 0.05 1.61 1.70 -1.25 -3.73 118.95 118.48 1g3g s ARG 70 Ca 0.00 -0.61 -0.13 0.00 -0.47 0.00 0.00 55.73 54.53 1g3g s ARG 70 Cb 0.00 -5.02 0.02 0.00 -0.57 0.00 0.00 34.95 29.37 1g3g s ARG 70 CO 0.00 -2.59 0.28 -0.80 -1.08 0.00 0.00 175.30 171.11 1g3g s ASN 71 N 5.96 -0.08 0.00 -2.89 0.01 -1.26 -4.69 114.94 111.99 1g3g s ASN 71 Ca 0.53 -0.26 0.00 0.00 -0.71 0.00 0.00 52.86 52.42 1g3g s ASN 71 Cb -0.04 0.35 0.00 0.00 0.41 0.00 0.00 41.25 41.96 1g3g s ASN 71 CO -0.01 -0.62 0.79 -2.65 -1.51 0.00 0.00 177.10 173.10 1g3g n PRO 72 N 0.53 0.00 0.00 -0.60 -0.02 -1.26 -4.10 135.00 129.55 1g3g n PRO 72 Ca -0.18 0.31 0.00 0.00 -2.02 0.00 0.00 63.50 61.61 1g3g n PRO 72 Cb 0.60 -1.58 0.00 0.00 -0.02 0.00 0.00 33.50 32.49 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1g3g n ALA 73 N -1.29 0.00 0.01 3.55 0.00 -1.26 -4.43 120.51 117.10 1g3g n ALA 73 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 53.44 53.43 1g3g n ALA 73 Cb 0.08 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.53 1g3g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3g n ASP 75 N -2.51 1.94 -3.83 0.00 -0.08 0.87 -4.42 116.55 108.52 1g3g n ASP 75 Ca -0.00 0.30 -0.12 0.00 -1.51 0.00 0.00 54.79 53.46 1g3g n ASP 75 Cb 0.02 -0.83 -0.12 0.00 2.34 0.00 0.00 41.12 42.53 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1g3g s TYR 76 N -2.46 -0.12 -0.47 -0.67 6.14 -1.14 -4.84 117.35 113.79 1g3g s TYR 76 Ca -0.33 0.28 -0.17 0.00 0.64 0.00 0.00 57.07 57.48 1g3g s TYR 76 Cb 0.10 0.03 0.05 0.00 0.42 0.00 0.00 41.96 42.56 1g3g s TYR 76 CO 0.57 -0.14 0.48 -1.58 0.64 0.00 0.00 175.55 175.52 1g3g s HIS 77 N -0.31 3.16 0.42 4.97 5.65 -1.26 -3.92 115.29 124.00 1g3g s HIS 77 Ca -0.04 -0.62 0.06 0.00 0.25 0.00 0.00 55.06 54.70 1g3g s HIS 77 Cb -0.03 -3.18 -0.06 0.00 -1.18 0.00 0.00 32.58 28.12 1g3g s HIS 77 CO 0.01 -0.84 0.01 -0.48 -0.65 0.00 0.00 174.74 172.79 1g3g s LEU 78 N 2.11 2.70 0.00 8.88 -0.00 -1.24 -4.90 118.68 126.22 1g3g s LEU 78 Ca 0.10 -1.43 0.00 0.00 -0.00 0.00 0.00 54.13 52.80 1g3g s LEU 78 Cb -0.20 -0.82 0.00 0.00 -0.00 0.00 0.00 46.19 45.17 1g3g s LEU 78 CO 0.11 -0.55 0.00 0.61 -0.00 0.00 0.00 176.35 176.52 1g3g n GLY 79 N -1.01 -2.76 3.13 -3.48 0.00 -1.26 -4.60 105.19 95.20 1g3g n GLY 79 Ca -0.08 -0.92 -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 -1.86 5.32 -0.27 1.61 2.20 -1.26 -4.51 114.94 116.17 1g3g s ASN 80 Ca 0.00 -2.21 -0.02 0.00 -0.94 0.00 0.00 52.86 49.69 1g3g s ASN 80 Cb 0.00 -1.86 0.04 0.00 -2.00 0.00 0.00 41.25 37.43 1g3g s ASN 80 CO 0.00 -0.52 -0.03 -0.63 -2.94 0.00 0.00 177.10 172.97 1g3g s ILE 81 N 0.89 2.94 0.61 0.54 1.09 -1.26 -4.99 121.20 121.03 1g3g s ILE 81 Ca 0.10 -1.19 0.31 0.00 -1.10 0.00 0.00 60.65 58.77 1g3g s ILE 81 Cb -0.23 -2.59 0.36 0.00 -1.06 0.00 0.00 42.46 38.95 1g3g s ILE 81 CO -0.04 0.05 2.11 0.28 -0.10 0.00 0.00 174.94 177.25 1g3g h SER 82 N 8.01 0.00 0.00 3.58 0.02 -2.00 -3.16 113.55 120.00 1g3g h SER 82 Ca -0.27 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.68 1g3g h SER 82 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 1g3g h SER 82 CO 0.55 0.00 0.00 0.54 -1.14 0.00 0.00 176.83 176.78 1g3g n ARG 83 N -3.59 0.00 -3.74 3.45 1.74 -1.26 -4.96 116.66 108.30 1g3g n ARG 83 Ca 0.01 0.00 -0.38 0.00 -0.77 0.00 0.00 57.85 56.71 1g3g n ARG 83 Cb 0.30 0.00 -0.12 0.00 -1.02 0.00 0.00 32.46 31.62 1g3g n ARG 83 CO 0.00 0.00 0.00 -0.48 -1.52 0.00 0.00 177.63 175.63 1g3g s LEU 84 N 0.00 4.26 0.00 0.55 0.05 -1.26 -4.52 118.68 117.76 1g3g s LEU 84 Ca 0.00 -1.06 0.00 0.00 0.05 0.00 0.00 54.13 53.12 1g3g s LEU 84 Cb 0.00 -1.88 0.00 0.00 -2.05 0.00 0.00 46.19 42.26 1g3g s LEU 84 CO 0.00 -0.31 0.00 -1.20 -0.55 0.00 0.00 176.35 174.29 1g3g n SER 85 N 4.83 0.00 -3.73 1.48 7.64 -1.26 -4.94 113.62 117.64 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 -4.08 6.43 3.02 -1.19 -3.63 115.26 115.81 1g3g n ASN 86 Ca 0.00 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 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 2.29 -2.62 0.00 0.00 177.26 176.93 1g3g n LYS 87 N 0.00 0.02 -0.01 3.52 2.85 -1.26 -3.42 118.16 119.87 1g3g n LYS 87 Ca 0.00 -0.56 0.10 0.00 -1.05 0.00 0.00 58.31 56.80 1g3g n LYS 87 Cb 0.00 -1.94 -0.14 0.00 -0.65 0.00 0.00 35.03 32.31 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 8.82 0.00 -3.63 5.58 -0.00 0.71 -4.50 115.22 122.19 1g3g n HIS 88 Ca 0.16 0.00 -0.03 0.00 0.46 0.00 0.00 57.72 58.32 1g3g n HIS 88 Cb 0.43 -0.27 -0.02 0.00 -0.12 0.00 0.00 29.99 30.01 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 -3.17 -0.05 0.09 1.57 2.19 0.50 -2.30 117.98 116.81 1g3g s PHE 89 Ca -0.01 0.03 0.01 0.00 0.33 0.00 0.00 56.93 57.28 1g3g s PHE 89 Cb 0.14 0.51 -0.04 0.00 -1.31 0.00 0.00 43.02 42.31 1g3g s PHE 89 CO 0.82 -0.08 -0.04 -0.65 1.83 0.00 0.00 175.22 177.10 1g3g s GLN 90 N -2.17 0.79 -0.08 10.12 -0.21 0.33 0.12 119.66 128.57 1g3g s GLN 90 Ca 0.11 -1.32 0.04 0.00 0.02 0.00 0.00 55.36 54.21 1g3g s GLN 90 Cb -0.01 -0.04 -0.00 0.00 1.00 0.00 0.00 33.01 33.97 1g3g s GLN 90 CO -0.03 -0.08 -0.21 0.42 -2.12 0.00 0.00 175.29 173.27 1g3g s ILE 91 N -3.76 1.82 -0.11 1.08 1.01 0.57 0.14 121.20 121.95 1g3g s ILE 91 Ca 0.12 -0.90 -0.01 0.00 0.00 0.00 0.00 60.65 59.86 1g3g s ILE 91 Cb 0.06 -1.57 -0.03 0.00 0.01 0.00 0.00 42.46 40.94 1g3g s ILE 91 CO -0.05 0.51 -0.06 -0.76 0.00 0.00 0.00 174.94 174.58 1g3g s LEU 92 N 0.22 3.18 -0.03 2.97 1.43 0.53 0.17 118.68 127.15 1g3g s LEU 92 Ca -0.12 -0.08 0.05 0.00 -1.03 0.00 0.00 54.13 52.94 1g3g s LEU 92 Cb -0.16 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.33 1g3g s LEU 92 CO 0.06 0.27 -0.17 -0.22 0.23 0.00 0.00 176.35 176.52 1g3g s LEU 93 N -0.27 1.94 0.00 1.79 1.98 0.27 0.12 118.68 124.52 1g3g s LEU 93 Ca 0.04 -0.34 0.00 0.00 -2.89 0.00 0.00 54.13 50.94 1g3g s LEU 93 Cb -0.13 -0.93 0.00 0.00 0.66 0.00 0.00 46.19 45.79 1g3g s LEU 93 CO 0.02 0.17 0.00 0.61 -1.89 0.00 0.00 176.35 175.26 1g3g n GLY 94 N 3.01 0.63 3.02 7.98 0.00 -1.23 -1.44 105.19 117.15 1g3g n GLY 94 Ca -0.17 -2.18 -0.09 0.00 0.00 0.00 0.00 46.02 43.58 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 -2.00 -0.90 1.61 1.02 -1.26 -4.47 120.64 114.64 1g3g n GLU 95 Ca 0.00 1.82 0.11 0.00 -0.02 0.00 0.00 57.16 59.07 1g3g n GLU 95 Cb 0.00 -5.22 -0.05 0.00 -0.02 0.00 0.00 31.44 26.15 1g3g n GLU 95 CO 0.00 0.00 0.00 -0.25 1.18 0.00 0.00 177.13 178.06 1g3g n ASP 96 N -0.83 -5.08 -4.56 1.62 9.92 -1.26 -4.42 116.55 111.94 1g3g n ASP 96 Ca 0.05 0.82 -0.13 0.00 -0.53 0.00 0.00 54.79 54.99 1g3g n ASP 96 Cb 0.50 -3.04 -0.09 0.00 -0.64 0.00 0.00 41.12 37.85 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1g3g n GLY 97 N -3.53 -0.27 3.65 0.44 0.00 -1.26 -4.75 105.19 99.47 1g3g n GLY 97 Ca -0.05 0.23 -0.02 0.00 0.00 0.00 0.00 46.02 46.18 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 9.83 -0.01 0.18 1.61 3.84 -1.26 -5.11 114.94 124.02 1g3g s ASN 98 Ca 0.89 0.00 0.07 0.00 0.21 0.00 0.00 52.86 54.03 1g3g s ASN 98 Cb -0.11 0.01 -0.04 0.00 -0.55 0.00 0.00 41.25 40.56 1g3g s ASN 98 CO 0.13 -0.02 0.03 -0.76 -2.79 0.00 0.00 177.10 173.68 1g3g s LEU 99 N -1.96 3.40 0.05 3.21 1.43 -1.26 -3.57 118.68 119.98 1g3g s LEU 99 Ca 0.12 -0.36 0.03 0.00 -1.03 0.00 0.00 54.13 52.89 1g3g s LEU 99 Cb -0.01 -2.04 -0.02 0.00 0.03 0.00 0.00 46.19 44.15 1g3g s LEU 99 CO -0.03 0.08 -0.10 -0.76 0.23 0.00 0.00 176.35 175.77 1g3g s LEU 100 N -3.02 2.23 -0.13 1.79 1.43 0.33 -2.58 118.68 118.73 1g3g s LEU 100 Ca 0.28 -0.52 -0.00 0.00 -1.03 0.00 0.00 54.13 52.86 1g3g s LEU 100 Cb -0.09 -0.33 -0.02 0.00 0.03 0.00 0.00 46.19 45.78 1g3g s LEU 100 CO 0.20 -0.11 -0.12 -0.76 0.23 0.00 0.00 176.35 175.78 1g3g s LEU 101 N -1.45 2.79 -0.33 1.79 1.43 0.36 0.20 118.68 123.47 1g3g s LEU 101 Ca -0.05 -0.29 -0.08 0.00 -1.03 0.00 0.00 54.13 52.68 1g3g s LEU 101 Cb -0.09 -1.63 0.02 0.00 0.03 0.00 0.00 46.19 44.52 1g3g s LEU 101 CO 0.01 0.18 0.13 0.21 0.23 0.00 0.00 176.35 177.11 1g3g s ASN 102 N 0.25 5.38 -0.48 2.29 2.47 0.37 0.18 114.94 125.40 1g3g s ASN 102 Ca -0.08 -0.86 -0.24 0.00 0.42 0.00 0.00 52.86 52.10 1g3g s ASN 102 Cb -0.15 -1.93 0.03 0.00 -1.45 0.00 0.00 41.25 37.75 1g3g s ASN 102 CO 0.05 -0.27 0.85 -1.81 -3.72 0.00 0.00 177.10 172.19 1g3g s ASP 103 N 1.50 6.41 -0.24 -4.21 1.01 -1.25 0.12 116.67 120.02 1g3g s ASP 103 Ca 0.02 -0.14 0.00 0.00 0.71 0.00 0.00 52.55 53.14 1g3g s ASP 103 Cb -0.18 -2.41 0.06 0.00 1.01 0.00 0.00 42.92 41.40 1g3g s ASP 103 CO 0.04 -1.01 -0.04 -0.51 0.21 0.00 0.00 175.17 173.86 1g3g s ILE 104 N 3.52 1.44 0.37 0.77 2.07 -1.25 0.10 121.20 128.23 1g3g s ILE 104 Ca 0.31 -1.21 0.03 0.00 -1.41 0.00 0.00 60.65 58.38 1g3g s ILE 104 Cb -0.12 -1.75 -0.04 0.00 0.13 0.00 0.00 42.46 40.68 1g3g s ILE 104 CO 0.22 -0.15 0.10 -0.44 -1.91 0.00 0.00 174.94 172.77 1g3g s SER 105 N 1.43 2.57 -0.01 4.50 0.01 -0.97 0.19 113.70 121.40 1g3g s SER 105 Ca -0.04 -1.55 -0.13 0.00 1.31 0.00 0.00 55.95 55.53 1g3g s SER 105 Cb -0.19 0.28 -0.07 0.00 0.21 0.00 0.00 66.02 66.25 1g3g s SER 105 CO -0.07 -0.80 0.71 0.74 0.41 0.00 0.00 173.24 174.22 1g3g h THR 106 N 1.93 0.00 0.00 1.44 2.02 -1.80 -3.43 112.91 113.07 1g3g h THR 106 Ca -0.38 -0.33 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 1g3g h THR 106 Cb 1.26 0.00 -0.03 0.00 -1.74 0.00 0.00 68.15 67.65 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 -4.17 3.17 -3.76 4.18 0.23 -1.26 -5.06 115.26 108.58 1g3g n ASN 107 Ca -0.06 -0.02 -0.13 0.00 -0.53 0.00 0.00 54.58 53.85 1g3g n ASN 107 Cb 0.19 0.40 -0.12 0.00 -2.08 0.00 0.00 39.78 38.16 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 -4.28 -0.18 -0.03 4.83 0.00 -1.26 -5.06 107.32 101.33 1g3g s GLY 108 Ca -0.07 0.83 0.07 0.00 0.00 0.00 0.00 44.72 45.55 1g3g s GLY 108 CO 0.28 0.85 -0.24 -1.59 0.00 0.00 0.00 173.10 172.40 1g3g s THR 109 N 0.51 1.94 0.11 0.90 2.01 -1.26 -4.16 115.64 115.69 1g3g s THR 109 Ca -0.03 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.03 1g3g s THR 109 Cb -0.05 -1.63 -0.04 0.00 0.01 0.00 0.00 72.50 70.80 1g3g s THR 109 CO -0.03 0.55 -0.24 0.26 -0.69 0.00 0.00 174.62 174.47 1g3g s TRP 110 N -0.38 2.07 -0.23 4.92 0.51 0.46 -0.45 118.94 125.84 1g3g s TRP 110 Ca 0.04 -0.40 0.02 0.00 -2.12 0.00 0.00 56.10 53.64 1g3g s TRP 110 Cb -0.11 -1.14 0.05 0.00 -0.81 0.00 0.00 33.47 31.46 1g3g s TRP 110 CO 0.01 0.25 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.43 1g3g s LEU 111 N -1.88 2.82 -1.62 2.99 2.96 -0.41 0.14 118.68 123.68 1g3g s LEU 111 Ca 0.10 -1.15 -0.12 0.00 -0.22 0.00 0.00 54.13 52.75 1g3g s LEU 111 Cb -0.10 -1.37 0.10 0.00 0.50 0.00 0.00 46.19 45.32 1g3g s LEU 111 CO 0.05 -0.17 0.59 0.59 -1.32 0.00 0.00 176.35 176.09 1g3g n ASN 112 N 4.57 -1.95 -0.01 3.68 3.02 -0.63 -0.03 115.26 123.91 1g3g n ASN 112 Ca -0.14 -1.05 -0.00 0.00 -0.03 0.00 0.00 54.58 53.36 1g3g n ASN 112 Cb 0.44 -2.66 -0.00 0.00 -0.61 0.00 0.00 39.78 36.95 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 -1.66 0.39 2.67 7.41 0.00 -1.26 -5.02 105.19 107.72 1g3g n GLY 113 Ca -0.07 -1.08 -0.30 0.00 0.00 0.00 0.00 46.02 44.58 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 -2.19 0.68 0.13 1.61 -0.21 0.95 -5.11 119.66 115.52 1g3g s GLN 114 Ca 0.00 -1.12 -0.34 0.00 0.02 0.00 0.00 55.36 53.92 1g3g s GLN 114 Cb 0.00 -1.82 -0.17 0.00 1.00 0.00 0.00 33.01 32.02 1g3g s GLN 114 CO 0.00 -1.04 1.04 1.17 -2.12 0.00 0.00 175.29 174.34 1g3g n LYS 115 N 4.68 0.68 -4.71 2.91 4.81 -1.26 -1.29 118.16 123.97 1g3g n LYS 115 Ca -0.00 0.24 -0.31 0.00 -0.87 0.00 0.00 58.31 57.37 1g3g n LYS 115 Cb 0.41 -1.66 -0.08 0.00 0.02 0.00 0.00 35.03 33.71 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 -0.26 1.20 0.21 3.15 -7.23 0.40 -4.82 120.40 113.05 1g3g s VAL 116 Ca 0.76 -2.00 -0.26 0.00 -1.81 0.00 0.00 61.98 58.68 1g3g s VAL 116 Cb -0.97 -2.29 -0.08 0.00 0.56 0.00 0.00 36.38 33.60 1g3g s VAL 116 CO 0.54 0.00 0.83 -0.70 -0.31 0.00 0.00 175.10 175.46 1g3g s GLU 117 N -3.84 4.60 0.92 4.82 -6.30 -1.26 -4.48 118.70 113.16 1g3g s GLU 117 Ca 0.12 1.22 -0.11 0.00 -2.50 0.00 0.00 54.97 53.69 1g3g s GLU 117 Cb 0.03 -3.16 0.15 0.00 0.00 0.00 0.00 34.13 31.15 1g3g s GLU 117 CO 0.06 0.50 1.09 0.21 0.02 0.00 0.00 175.26 177.15 1g3g s LYS 118 N -1.38 1.01 -1.06 4.30 2.20 -1.26 -3.10 119.74 120.46 1g3g s LYS 118 Ca 0.40 1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 56.92 1g3g s LYS 118 Cb -0.22 -1.76 0.13 0.00 -1.51 0.00 0.00 37.83 34.47 1g3g s LYS 118 CO 0.27 -2.47 0.34 0.09 -0.36 0.00 0.00 175.35 173.21 1g3g n ASN 119 N -4.07 -1.21 -4.19 1.43 3.02 0.12 -4.84 115.26 105.51 1g3g n ASN 119 Ca 0.08 -0.61 -0.37 0.00 -0.03 0.00 0.00 54.58 53.65 1g3g n ASN 119 Cb 0.54 -1.08 -0.12 0.00 -0.61 0.00 0.00 39.78 38.51 1g3g n ASN 119 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1g3g s SER 120 N -2.38 5.28 0.36 6.41 1.04 -1.18 -4.92 113.70 118.31 1g3g s SER 120 Ca 0.47 -1.58 -0.26 0.00 0.48 0.00 0.00 55.95 55.07 1g3g s SER 120 Cb -0.27 -1.85 -0.12 0.00 0.10 0.00 0.00 66.02 63.87 1g3g s SER 120 CO 0.58 -0.44 0.92 0.59 0.98 0.00 0.00 173.24 175.86 1g3g n ASN 121 N 4.72 0.85 -4.16 7.02 4.13 -1.25 -3.88 115.26 122.69 1g3g n ASN 121 Ca -0.08 1.07 -0.22 0.00 1.68 0.00 0.00 54.58 57.03 1g3g n ASN 121 Cb 0.43 -1.28 -0.14 0.00 -1.54 0.00 0.00 39.78 37.25 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 -1.73 1.08 -0.14 3.52 -1.52 0.47 -4.82 119.66 116.51 1g3g s GLN 122 Ca 0.61 -0.73 -0.29 0.00 -1.95 0.00 0.00 55.36 53.00 1g3g s GLN 122 Cb -0.63 -1.09 -0.02 0.00 -0.22 0.00 0.00 33.01 31.04 1g3g s GLN 122 CO 0.58 0.28 1.30 -1.17 -0.25 0.00 0.00 175.29 176.03 1g3g s LEU 123 N -0.95 4.21 0.44 2.90 2.96 -1.26 0.13 118.68 127.11 1g3g s LEU 123 Ca 0.04 1.77 -0.23 0.00 -0.22 0.00 0.00 54.13 55.48 1g3g s LEU 123 Cb -0.07 -3.54 -0.10 0.00 0.50 0.00 0.00 46.19 42.97 1g3g s LEU 123 CO 0.01 -0.76 0.92 0.00 -1.32 0.00 0.00 176.35 175.20 1g3g n LEU 124 N 6.50 2.21 -4.27 -0.68 -0.00 -1.07 -4.87 117.00 114.82 1g3g n LEU 124 Ca 0.14 0.99 -0.21 0.00 -0.00 0.00 0.00 56.01 56.93 1g3g n LEU 124 Cb 0.45 -1.31 -0.12 0.00 -0.00 0.00 0.00 43.42 42.44 1g3g n LEU 124 CO 0.56 -1.79 -0.48 -0.44 -0.00 0.00 0.00 177.39 175.25 1g3g s SER 125 N -0.83 2.30 -0.27 1.45 0.01 -1.26 -5.02 113.70 110.09 1g3g s SER 125 Ca 0.64 -0.77 -0.29 0.00 1.31 0.00 0.00 55.95 56.84 1g3g s SER 125 Cb -0.55 -0.11 -0.02 0.00 0.21 0.00 0.00 66.02 65.55 1g3g s SER 125 CO 0.56 -0.05 1.59 -1.58 0.41 0.00 0.00 173.24 174.17 1g3g s GLN 126 N -2.42 3.70 -1.08 12.44 2.00 -1.26 -2.37 119.66 130.68 1g3g s GLN 126 Ca 0.09 1.50 0.00 0.00 -2.00 0.00 0.00 55.36 54.95 1g3g s GLN 126 Cb -0.07 -4.05 0.00 0.00 0.80 0.00 0.00 33.01 29.69 1g3g s GLN 126 CO 0.04 -1.40 0.00 0.41 -0.50 0.00 0.00 175.29 173.84 1g3g n GLY 127 N 4.80 0.07 3.64 2.59 0.00 -1.25 -4.98 105.19 110.07 1g3g n GLY 127 Ca 0.19 -0.38 -0.32 0.00 0.00 0.00 0.00 46.02 45.50 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 -0.29 0.18 -3.76 1.61 -0.08 -1.00 -4.74 116.55 108.47 1g3g n ASP 128 Ca -0.14 0.45 -0.12 0.00 -1.51 0.00 0.00 54.79 53.47 1g3g n ASP 128 Cb 0.58 -1.45 -0.12 0.00 2.34 0.00 0.00 41.12 42.47 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 -4.35 0.27 -0.16 -0.67 2.12 -1.26 -1.30 118.70 113.35 1g3g s GLU 129 Ca 0.67 0.44 -0.04 0.00 0.36 0.00 0.00 54.97 56.41 1g3g s GLU 129 Cb -0.25 0.04 -0.03 0.00 0.26 0.00 0.00 34.13 34.15 1g3g s GLU 129 CO 0.57 -0.09 -0.03 0.42 -0.54 0.00 0.00 175.26 175.59 1g3g s ILE 130 N 0.63 3.92 -0.07 -3.70 1.09 0.28 -1.60 121.20 121.75 1g3g s ILE 130 Ca -0.04 -0.34 -0.04 0.00 -1.10 0.00 0.00 60.65 59.13 1g3g s ILE 130 Cb -0.05 -2.73 -0.04 0.00 -1.06 0.00 0.00 42.46 38.58 1g3g s ILE 130 CO -0.04 0.48 0.11 -0.89 -0.10 0.00 0.00 174.94 174.50 1g3g s THR 131 N 0.46 5.09 0.05 2.92 2.01 0.37 0.15 115.64 126.69 1g3g s THR 131 Ca -0.03 -0.09 -0.02 0.00 0.31 0.00 0.00 61.69 61.86 1g3g s THR 131 Cb -0.14 -3.26 -0.03 0.00 0.01 0.00 0.00 72.50 69.08 1g3g s THR 131 CO 0.03 0.50 0.01 0.68 -0.69 0.00 0.00 174.62 175.15 1g3g s VAL 132 N -1.09 0.19 -0.65 3.82 -7.23 0.52 0.17 120.40 116.13 1g3g s VAL 132 Ca 0.19 -1.56 -0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1g3g s VAL 132 Cb -0.12 -1.30 0.00 0.00 0.56 0.00 0.00 36.38 35.53 1g3g s VAL 132 CO 0.09 -0.86 0.56 0.61 -0.31 0.00 0.00 175.10 175.18 1g3g n GLY 133 N 0.32 0.12 3.84 2.32 0.00 -1.26 0.31 105.19 110.84 1g3g n GLY 133 Ca -0.16 -0.20 -0.32 0.00 0.00 0.00 0.00 46.02 45.34 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 4.50 0.00 1.61 1.01 -1.26 -3.47 120.40 119.61 1g3g s VAL 134 Ca 0.17 1.28 0.00 0.00 0.00 0.00 0.00 61.98 63.43 1g3g s VAL 134 Cb -0.07 -3.68 0.00 0.00 0.00 0.00 0.00 36.38 32.62 1g3g s VAL 134 CO 0.37 -0.57 0.00 0.61 0.00 0.00 0.00 175.10 175.51 1g3g n GLY 135 N -1.29 3.29 3.05 4.51 0.00 -1.26 -5.03 105.19 108.46 1g3g n GLY 135 Ca 0.07 -0.46 -0.27 0.00 0.00 0.00 0.00 46.02 45.36 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 0.54 1.61 1.01 -1.26 -5.01 120.40 118.63 1g3g s VAL 136 Ca 0.00 -0.57 0.31 0.00 0.00 0.00 0.00 61.98 61.72 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 0.00 175.10 177.31 1g3g h GLU 137 N 7.17 0.00 -0.36 2.72 4.81 -1.98 0.73 114.58 127.67 1g3g h GLU 137 Ca -0.30 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.93 1g3g h GLU 137 Cb 1.18 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1g3g h GLU 137 CO 0.47 0.00 0.00 -1.13 -0.73 0.00 0.00 179.01 177.62 1g3g n SER 138 N -4.21 2.61 -0.67 1.04 3.41 -1.26 -4.15 113.62 110.39 1g3g n SER 138 Ca 0.18 -1.90 0.05 0.00 -0.26 0.00 0.00 58.87 56.94 1g3g n SER 138 Cb 0.94 -0.23 0.11 0.00 -0.26 0.00 0.00 64.21 64.77 1g3g n SER 138 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1g3g n ASP 139 N 0.93 1.36 -4.79 4.04 9.92 0.25 -5.05 116.55 123.21 1g3g n ASP 139 Ca 0.18 -2.87 -0.36 0.00 -0.53 0.00 0.00 54.79 51.21 1g3g n ASP 139 Cb 0.45 -0.39 -0.07 0.00 -0.64 0.00 0.00 41.12 40.47 1g3g n ASP 139 CO 0.00 0.00 0.00 -0.63 0.13 0.00 0.00 177.20 176.70 1g3g s ILE 140 N -1.73 4.96 -0.05 0.53 1.01 -1.11 -4.46 121.20 120.34 1g3g s ILE 140 Ca 0.28 -0.04 0.05 0.00 0.00 0.00 0.00 60.65 60.94 1g3g s ILE 140 Cb 0.28 -3.15 -0.00 0.00 0.01 0.00 0.00 42.46 39.60 1g3g s ILE 140 CO -0.06 0.58 -0.19 -0.76 0.00 0.00 0.00 174.94 174.51 1g3g s LEU 141 N -1.06 1.95 0.14 2.97 2.01 0.15 -4.98 118.68 119.86 1g3g s LEU 141 Ca 0.15 -0.40 0.11 0.00 0.01 0.00 0.00 54.13 54.00 1g3g s LEU 141 Cb -0.12 -1.09 -0.04 0.00 0.01 0.00 0.00 46.19 44.95 1g3g s LEU 141 CO 0.05 0.17 -0.25 -0.44 1.01 0.00 0.00 176.35 176.89 1g3g s SER 142 N 0.05 3.45 -0.07 2.29 0.01 -1.26 0.20 113.70 118.37 1g3g s SER 142 Ca -0.06 -0.74 0.04 0.00 1.31 0.00 0.00 55.95 56.51 1g3g s SER 142 Cb -0.13 -0.29 -0.00 0.00 0.21 0.00 0.00 66.02 65.81 1g3g s SER 142 CO 0.03 0.17 -0.21 -0.76 0.41 0.00 0.00 173.24 172.88 1g3g s LEU 143 N -2.21 1.98 -0.04 2.44 1.02 0.40 -4.07 118.68 118.19 1g3g s LEU 143 Ca 0.16 -0.46 0.04 0.00 0.02 0.00 0.00 54.13 53.89 1g3g s LEU 143 Cb -0.10 -1.20 -0.03 0.00 0.02 0.00 0.00 46.19 44.88 1g3g s LEU 143 CO 0.08 0.17 -0.14 -0.69 0.02 0.00 0.00 176.35 175.78 1g3g s VAL 144 N 0.15 3.06 -0.12 -1.59 1.01 -1.02 0.10 120.40 122.01 1g3g s VAL 144 Ca -0.10 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.17 1g3g s VAL 144 Cb -0.15 -2.20 0.01 0.00 0.00 0.00 0.00 36.38 34.03 1g3g s VAL 144 CO 0.05 0.58 -0.22 -0.63 0.00 0.00 0.00 175.10 174.88 1g3g s ILE 145 N -0.75 1.99 -0.44 2.22 1.01 -0.42 0.15 121.20 124.96 1g3g s ILE 145 Ca 0.12 -0.96 -0.11 0.00 0.00 0.00 0.00 60.65 59.70 1g3g s ILE 145 Cb -0.11 -1.74 0.09 0.00 0.01 0.00 0.00 42.46 40.71 1g3g s ILE 145 CO 0.01 0.54 0.31 0.12 0.00 0.00 0.00 174.94 175.92 1g3g s PHE 146 N 0.59 3.33 -0.11 3.97 5.36 0.46 -3.41 117.98 128.18 1g3g s PHE 146 Ca -0.13 -1.46 -0.22 0.00 -0.96 0.00 0.00 56.93 54.15 1g3g s PHE 146 Cb -0.17 -3.14 -0.03 0.00 -0.34 0.00 0.00 43.02 39.34 1g3g s PHE 146 CO 0.04 -0.87 0.65 0.42 -1.46 0.00 0.00 175.22 174.00 1g3g s ILE 147 N 1.46 5.06 -0.19 3.12 1.09 -1.26 -0.59 121.20 129.89 1g3g s ILE 147 Ca 0.04 1.32 -0.29 0.00 -1.10 0.00 0.00 60.65 60.61 1g3g s ILE 147 Cb -0.24 -3.99 -0.00 0.00 -1.06 0.00 0.00 42.46 37.17 1g3g s ILE 147 CO 0.02 0.23 1.11 0.54 -0.10 0.00 0.00 174.94 176.75 1g3g s ASN 148 N 0.86 7.06 0.42 3.58 4.22 -1.26 -4.91 114.94 124.91 1g3g s ASN 148 Ca 0.34 1.51 0.22 0.00 -2.14 0.00 0.00 52.86 52.79 1g3g s ASN 148 Cb -0.17 -2.54 0.87 0.00 1.28 0.00 0.00 41.25 40.69 1g3g s ASN 148 CO 0.15 -0.68 1.81 -0.78 -2.04 0.00 0.00 177.10 175.56 1g3g h ASP 149 N 7.66 0.00 -0.96 3.54 3.58 -1.95 -3.06 116.42 125.22 1g3g h ASP 149 Ca -0.23 0.00 0.06 0.00 0.42 0.00 0.00 57.03 57.28 1g3g h ASP 149 Cb 1.09 0.00 -0.06 0.00 1.72 0.00 0.00 39.33 42.07 1g3g h ASP 149 CO 0.96 0.26 0.62 0.11 -2.88 0.00 0.00 179.24 178.31 1g3g h LYS 150 N 0.00 1.09 -0.99 0.28 1.57 -1.91 -1.32 116.57 115.29 1g3g h LYS 150 Ca -0.00 -0.07 0.01 0.00 -1.87 0.00 0.00 60.65 58.72 1g3g h LYS 150 Cb 0.77 -0.25 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1g3g h LYS 150 CO 0.03 0.72 0.66 0.35 -0.57 0.00 0.00 179.45 180.65 1g3g h PHE 151 N 1.13 1.25 -0.69 -1.35 3.04 -1.68 -2.02 116.94 116.61 1g3g h PHE 151 Ca 0.41 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.37 1g3g h PHE 151 Cb 0.15 -0.42 -0.03 0.00 2.56 0.00 0.00 35.95 38.21 1g3g h PHE 151 CO -0.01 0.79 0.32 0.87 -2.02 0.00 0.00 178.31 178.26 1g3g h LYS 152 N 1.35 0.98 -0.79 1.11 6.56 -1.37 -2.33 116.57 122.08 1g3g h LYS 152 Ca 0.36 -0.14 -0.01 0.00 -1.06 0.00 0.00 60.65 59.81 1g3g h LYS 152 Cb -0.16 -0.18 -0.04 0.00 -0.57 0.00 0.00 32.23 31.28 1g3g h LYS 152 CO -0.08 0.77 0.46 0.37 -2.06 0.00 0.00 179.45 178.91 1g3g h GLN 153 N 0.98 1.08 -0.39 3.15 -0.00 -0.91 -2.25 115.11 116.77 1g3g h GLN 153 Ca 0.24 -0.10 -0.06 0.00 -0.00 0.00 0.00 58.65 58.73 1g3g h GLN 153 Cb 0.11 -0.22 -0.01 0.00 0.00 0.00 0.00 27.48 27.36 1g3g h GLN 153 CO -0.03 0.77 0.02 0.00 0.00 0.00 0.00 178.83 179.59 1g3g h LEU 155 N 0.51 0.59 -1.53 0.00 -0.00 -1.10 -1.48 115.31 112.30 1g3g h LEU 155 Ca 0.11 0.01 -0.01 0.00 -0.00 0.00 0.00 57.88 58.00 1g3g h LEU 155 Cb 0.44 -0.11 -0.02 0.00 -0.00 0.00 0.00 40.66 40.97 1g3g h LEU 155 CO 0.02 0.40 0.22 -0.08 -0.00 0.00 0.00 178.44 179.00 1g3g h GLU 156 N 0.72 0.53 0.00 1.13 4.57 -1.30 -0.85 114.58 119.38 1g3g h GLU 156 Ca 0.26 -0.05 -0.03 0.00 -1.18 0.00 0.00 59.36 58.37 1g3g h GLU 156 Cb 0.08 -0.11 -0.00 0.00 -0.16 0.00 0.00 28.75 28.55 1g3g h GLU 156 CO -0.13 0.39 -0.15 0.37 -1.18 0.00 0.00 179.01 178.31 1g3g h GLN 157 N 0.54 0.00 -0.47 1.92 4.15 -0.98 -2.88 115.11 117.39 1g3g h GLN 157 Ca 0.14 0.00 -0.21 0.00 0.77 0.00 0.00 58.65 59.35 1g3g h GLN 157 Cb 0.01 0.00 -0.13 0.00 0.21 0.00 0.00 27.48 27.57 1g3g h GLN 157 CO -0.02 0.15 0.08 0.09 -1.93 0.00 0.00 178.83 177.19 1g3g n ASN 158 N -3.31 3.07 -4.01 -0.69 5.03 -0.36 -4.93 115.26 110.05 1g3g n ASN 158 Ca 0.00 -3.59 -0.29 0.00 0.87 0.00 0.00 54.58 51.57 1g3g n ASN 158 Cb 0.38 -0.66 -0.17 0.00 -1.02 0.00 0.00 39.78 38.31 1g3g n ASN 158 CO 0.00 0.00 0.00 -0.54 -1.83 0.00 0.00 177.26 174.89 1g3g s LYS 159 N -3.17 2.13 -0.19 3.52 1.02 -0.96 -5.02 119.74 117.06 1g3g s LYS 159 Ca 0.47 -0.50 -0.20 0.00 0.02 0.00 0.00 55.97 55.76 1g3g s LYS 159 Cb 0.41 -1.95 -0.03 0.00 -0.52 0.00 0.00 37.83 35.74 1g3g s LYS 159 CO 0.04 -0.20 0.58 0.08 -0.92 0.00 0.00 175.35 174.93 1g3g s VAL 160 N 1.40 5.06 -0.02 3.17 1.01 -1.26 -4.94 120.40 124.82 1g3g s VAL 160 Ca 0.02 1.09 0.12 0.00 0.00 0.00 0.00 61.98 63.21 1g3g s VAL 160 Cb -0.13 -3.90 -0.23 0.00 0.00 0.00 0.00 36.38 32.12 1g3g s VAL 160 CO -0.08 0.15 0.77 -0.78 0.00 0.00 0.00 175.10 175.15 1g3g h ASP 161 N 7.44 0.00 -4.11 3.32 1.82 -1.99 -3.49 116.42 119.41 1g3g h ASP 161 Ca -0.33 0.00 0.17 0.00 -0.39 0.00 0.00 57.03 56.49 1g3g h ASP 161 Cb 1.15 0.00 -0.21 0.00 0.68 0.00 0.00 39.33 40.95 1g3g h ASP 161 CO 0.76 0.99 0.70 -0.60 -1.61 0.00 0.00 179.24 179.48 1g3g s ARG 162 N -2.62 0.45 0.22 0.28 3.52 -1.26 -5.15 118.95 114.39 1g3g s ARG 162 Ca -0.04 -0.06 -0.30 0.00 -0.13 0.00 0.00 55.73 55.21 1g3g s ARG 162 Cb 0.08 0.21 -0.08 0.00 -1.56 0.00 0.00 34.95 33.60 1g3g s ARG 162 CO 0.82 -0.18 1.04 0.96 -0.81 0.00 0.00 175.30 177.14 1g3g s ILE 163 N -1.97 3.88 -2.81 4.11 -4.36 -1.26 -5.25 121.20 113.54 1g3g s ILE 163 Ca 0.05 1.76 0.22 0.00 -0.26 0.00 0.00 60.65 62.43 1g3g s ILE 163 Cb -0.01 -4.12 0.18 0.00 1.25 0.00 0.00 42.46 39.76 1g3g s ILE 163 CO -0.04 0.36 1.21 0.54 0.24 0.00 0.00 174.94 177.25