#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g3g s GLU 2 N 0.00 4.21 0.00 1.61 2.12 -1.26 -4.68 118.70 120.70 1g3g s GLU 2 Ca 0.00 2.01 0.00 0.00 0.36 0.00 0.00 54.97 57.34 1g3g s GLU 2 Cb 0.00 -3.83 0.00 0.00 0.26 0.00 0.00 34.13 30.56 1g3g s GLU 2 CO 0.00 -0.75 0.00 0.09 -0.54 0.00 0.00 175.26 174.06 1g3g n ASN 3 N 6.60 0.00 -4.59 -1.70 5.03 -1.26 -5.15 115.26 114.18 1g3g n ASN 3 Ca 0.16 0.00 -0.25 0.00 0.87 0.00 0.00 54.58 55.36 1g3g n ASN 3 Cb 0.43 0.45 -0.08 0.00 -1.02 0.00 0.00 39.78 39.56 1g3g n ASN 3 CO 0.00 0.00 0.00 0.27 -1.83 0.00 0.00 177.26 175.70 1g3g s ILE 4 N -0.96 3.22 -0.24 2.41 -4.36 -1.26 -5.04 121.20 114.97 1g3g s ILE 4 Ca 0.00 -1.89 0.21 0.00 -0.26 0.00 0.00 60.65 58.71 1g3g s ILE 4 Cb 0.00 -2.67 0.03 0.00 1.25 0.00 0.00 42.46 41.07 1g3g s ILE 4 CO 0.00 -0.28 1.12 0.74 0.24 0.00 0.00 174.94 176.76 1g3g h THR 5 N 2.26 0.17 -3.43 8.37 2.02 -2.01 -3.47 112.91 116.82 1g3g h THR 5 Ca -0.45 -1.30 -0.54 0.00 0.77 0.00 0.00 66.41 64.89 1g3g h THR 5 Cb 1.23 1.76 0.20 0.00 -1.74 0.00 0.00 68.15 69.61 1g3g h THR 5 CO 0.58 0.10 -0.40 0.00 0.37 0.00 0.00 175.52 176.16 1g3g n GLN 6 N -2.83 -0.03 -0.82 6.66 6.02 -1.26 -4.97 117.38 120.15 1g3g n GLN 6 Ca -0.01 0.04 -0.29 0.00 -0.01 0.00 0.00 57.00 56.73 1g3g n GLN 6 Cb 0.62 -1.92 0.24 0.00 1.02 0.00 0.00 30.24 30.20 1g3g n GLN 6 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 177.06 174.80 1g3g s PRO 7 N -3.39 -0.99 -0.06 -1.09 0.04 -1.26 -5.06 135.00 123.19 1g3g s PRO 7 Ca 0.62 0.40 0.03 0.00 0.04 0.00 0.00 61.00 62.09 1g3g s PRO 7 Cb -0.27 -1.58 0.01 0.00 0.04 0.00 0.00 34.50 32.70 1g3g s PRO 7 CO 0.62 -3.66 -0.15 0.95 0.04 0.00 0.00 177.00 174.81 1g3g s THR 8 N -2.70 1.32 -0.09 1.26 -4.23 -1.26 -5.13 115.64 104.81 1g3g s THR 8 Ca 0.68 -0.61 -0.00 0.00 -1.18 0.00 0.00 61.69 60.58 1g3g s THR 8 Cb -0.18 -1.17 0.02 0.00 1.34 0.00 0.00 72.50 72.52 1g3g s THR 8 CO 0.60 0.39 -0.06 -1.58 -0.54 0.00 0.00 174.62 173.42 1g3g s GLN 9 N 0.41 1.30 -0.60 3.99 2.00 -1.26 -4.88 119.66 120.62 1g3g s GLN 9 Ca -0.11 -0.19 -0.00 0.00 -2.00 0.00 0.00 55.36 53.05 1g3g s GLN 9 Cb -0.14 -1.37 -0.01 0.00 0.80 0.00 0.00 33.01 32.29 1g3g s GLN 9 CO 0.04 -0.22 0.56 1.04 -0.50 0.00 0.00 175.29 176.21 1g3g n GLN 10 N 4.75 -1.09 -1.34 1.67 1.13 -1.26 -4.94 117.38 116.30 1g3g n GLN 10 Ca -0.14 1.21 -0.29 0.00 -1.94 0.00 0.00 57.00 55.84 1g3g n GLN 10 Cb 0.50 -4.81 0.11 0.00 0.11 0.00 0.00 30.24 26.15 1g3g n GLN 10 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1g3g n SER 11 N -1.72 6.09 -3.63 1.08 2.88 -1.26 -4.89 113.62 112.17 1g3g n SER 11 Ca -0.01 -3.74 -0.04 0.00 -1.33 0.00 0.00 58.87 53.75 1g3g n SER 11 Cb 0.51 -0.86 -0.06 0.00 -0.75 0.00 0.00 64.21 63.05 1g3g n SER 11 CO 0.00 0.00 0.00 0.28 -1.23 0.00 0.00 175.04 174.09 1g3g s THR 12 N -4.32 -0.10 -0.27 2.46 -1.32 -1.26 -5.13 115.64 105.70 1g3g s THR 12 Ca 0.60 0.00 -0.29 0.00 -1.21 0.00 0.00 61.69 60.79 1g3g s THR 12 Cb 0.49 -1.00 -0.01 0.00 -1.51 0.00 0.00 72.50 70.46 1g3g s THR 12 CO 0.02 0.00 1.48 -1.58 -2.21 0.00 0.00 174.62 172.34 1g3g s GLN 13 N 1.64 3.81 -0.26 7.08 0.74 -1.26 -4.77 119.66 126.64 1g3g s GLN 13 Ca -0.09 1.44 0.06 0.00 0.05 0.00 0.00 55.36 56.82 1g3g s GLN 13 Cb -0.05 -3.98 0.21 0.00 1.10 0.00 0.00 33.01 30.29 1g3g s GLN 13 CO -0.17 -1.26 1.11 0.00 -0.55 0.00 0.00 175.29 174.41 1g3g n ALA 14 N 8.21 -0.12 -0.04 1.58 0.00 -1.26 -5.00 120.51 123.88 1g3g n ALA 14 Ca 0.17 -0.65 -0.07 0.00 0.00 0.00 0.00 53.44 52.89 1g3g n ALA 14 Cb 0.46 -0.83 -0.02 0.00 0.00 0.00 0.00 19.45 19.05 1g3g n ALA 14 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1g3g n THR 15 N -0.68 1.26 -0.14 0.00 -1.04 -1.26 -4.10 114.28 108.33 1g3g n THR 15 Ca -0.13 0.17 -0.12 0.00 -2.04 0.00 0.00 64.05 61.93 1g3g n THR 15 Cb 0.71 -1.94 -0.02 0.00 -1.82 0.00 0.00 70.33 67.27 1g3g n THR 15 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1g3g h GLN 16 N -0.54 0.84 -0.20 -2.82 4.20 -2.01 -2.99 115.11 111.59 1g3g h GLN 16 Ca -0.08 -0.36 -0.15 0.00 0.06 0.00 0.00 58.65 58.13 1g3g h GLN 16 Cb 0.70 -0.03 -0.01 0.00 0.30 0.00 0.00 27.48 28.44 1g3g h GLN 16 CO -0.05 0.99 -0.49 0.00 -0.67 0.00 0.00 178.83 178.61 1g3g h ARG 17 N 0.65 0.54 -0.61 1.46 3.08 -1.95 -3.18 114.38 114.38 1g3g h ARG 17 Ca 0.09 -0.31 0.05 0.00 0.07 0.00 0.00 59.98 59.88 1g3g h ARG 17 Cb 0.73 0.03 -0.05 0.00 0.08 0.00 0.00 29.97 30.76 1g3g h ARG 17 CO 0.06 0.91 0.32 0.35 -1.07 0.00 0.00 179.97 180.54 1g3g h PHE 18 N 0.43 0.59 -0.35 3.04 3.57 -1.69 -1.01 116.94 121.53 1g3g h PHE 18 Ca 0.02 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.58 1g3g h PHE 18 Cb 1.02 -0.18 -0.02 0.00 2.79 0.00 0.00 35.95 39.56 1g3g h PHE 18 CO 0.04 0.28 0.23 1.37 -2.23 0.00 0.00 178.31 178.01 1g3g h LEU 19 N 0.61 0.26 -0.17 0.59 8.10 -1.50 -1.86 115.31 121.34 1g3g h LEU 19 Ca 0.27 -0.00 -0.19 0.00 0.11 0.00 0.00 57.88 58.07 1g3g h LEU 19 Cb 0.17 -0.06 0.01 0.00 -0.44 0.00 0.00 40.66 40.34 1g3g h LEU 19 CO -0.18 0.18 -0.62 0.40 -4.11 0.00 0.00 178.44 174.11 1g3g h ILE 20 N 0.30 1.30 -0.40 0.15 1.08 -1.27 -2.54 117.51 116.14 1g3g h ILE 20 Ca 0.15 -1.84 0.03 0.00 -0.39 0.00 0.00 64.86 62.81 1g3g h ILE 20 Cb 0.20 1.95 -0.04 0.00 -3.07 0.00 0.00 36.82 35.87 1g3g h ILE 20 CO -0.03 0.58 0.19 -0.08 -0.69 0.00 0.00 178.15 178.12 1g3g h GLU 21 N 0.44 0.38 -0.25 2.37 4.57 -0.54 -0.28 114.58 121.26 1g3g h GLU 21 Ca -0.03 -0.02 -0.09 0.00 -1.18 0.00 0.00 59.36 58.04 1g3g h GLU 21 Cb 1.24 -0.09 -0.01 0.00 -0.16 0.00 0.00 28.75 29.73 1g3g h GLU 21 CO 0.13 0.25 -0.22 -0.22 -1.18 0.00 0.00 179.01 177.77 1g3g h LYS 22 N 0.39 0.46 -0.17 1.92 3.11 -1.49 -2.76 116.57 118.03 1g3g h LYS 22 Ca 0.17 -0.16 -0.02 0.00 -2.81 0.00 0.00 60.65 57.83 1g3g h LYS 22 Cb 0.09 -0.03 -0.01 0.00 -1.00 0.00 0.00 32.23 31.28 1g3g h LYS 22 CO -0.13 0.66 0.02 0.35 -2.81 0.00 0.00 179.45 177.54 1g3g h PHE 23 N 0.41 0.30 -0.11 1.91 3.57 -0.93 -2.81 116.94 119.29 1g3g h PHE 23 Ca 0.06 -0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 1g3g h PHE 23 Cb 0.62 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.27 1g3g h PHE 23 CO 0.02 0.45 0.07 1.03 -2.23 0.00 0.00 178.31 177.65 1g3g h SER 24 N 0.06 0.11 -3.58 0.41 0.87 -0.97 -3.48 113.55 106.96 1g3g h SER 24 Ca 0.05 -0.00 0.36 0.00 -1.23 0.00 0.00 61.79 60.97 1g3g h SER 24 Cb 0.32 -0.03 -0.18 0.00 -0.44 0.00 0.00 62.40 62.07 1g3g h SER 24 CO 0.00 0.08 -1.17 1.67 -0.53 0.00 0.00 176.83 176.88 1g3g n GLN 25 N -4.52 -3.30 -2.18 2.24 7.27 -1.05 -4.76 117.38 111.08 1g3g n GLN 25 Ca -0.01 2.63 -0.41 0.00 0.07 0.00 0.00 57.00 59.28 1g3g n GLN 25 Cb 0.09 -3.88 -0.03 0.00 2.41 0.00 0.00 30.24 28.84 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 -4.00 4.38 0.15 3.69 2.12 -1.26 -4.98 118.70 118.79 1g3g s GLU 26 Ca 0.00 2.11 -0.30 0.00 0.36 0.00 0.00 54.97 57.14 1g3g s GLU 26 Cb 0.00 -3.16 -0.07 0.00 0.26 0.00 0.00 34.13 31.16 1g3g s GLU 26 CO 0.00 -0.25 1.07 -0.65 -0.54 0.00 0.00 175.26 174.89 1g3g s GLN 27 N -0.48 4.61 0.19 4.30 -0.21 -1.26 -5.02 119.66 121.79 1g3g s GLN 27 Ca 0.55 1.65 -0.27 0.00 0.02 0.00 0.00 55.36 57.30 1g3g s GLN 27 Cb -0.38 -3.31 -0.08 0.00 1.00 0.00 0.00 33.01 30.24 1g3g s GLN 27 CO 0.41 0.09 0.85 0.42 -2.12 0.00 0.00 175.29 174.95 1g3g s ILE 28 N -0.08 4.26 -1.01 1.08 -1.09 -1.26 -5.00 121.20 118.10 1g3g s ILE 28 Ca 0.49 1.88 -0.03 0.00 -2.23 0.00 0.00 60.65 60.76 1g3g s ILE 28 Cb -0.28 -4.23 0.29 0.00 -1.58 0.00 0.00 42.46 36.66 1g3g s ILE 28 CO 0.33 0.50 1.24 0.61 -1.23 0.00 0.00 174.94 176.39 1g3g n GLY 29 N 1.60 4.83 0.10 6.18 0.00 -1.26 -4.76 105.19 111.87 1g3g n GLY 29 Ca -0.04 -2.66 -0.03 0.00 0.00 0.00 0.00 46.02 43.30 1g3g n GLY 29 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1g3g h GLU 30 N 5.56 0.00 0.00 1.61 3.07 -1.96 -3.32 114.58 119.55 1g3g h GLU 30 Ca 0.19 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.05 1g3g h GLU 30 Cb 0.69 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.60 1g3g h GLU 30 CO 1.16 0.59 -0.95 0.09 -1.40 0.00 0.00 179.01 178.50 1g3g n ASN 31 N -3.14 1.22 -4.55 1.42 3.02 -1.26 -4.13 115.26 107.83 1g3g n ASN 31 Ca -0.05 -0.47 -0.34 0.00 -0.03 0.00 0.00 54.58 53.70 1g3g n ASN 31 Cb 0.87 1.22 -0.04 0.00 -0.61 0.00 0.00 39.78 41.22 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 -2.39 3.44 0.09 2.41 -1.09 -1.25 -2.71 121.20 119.70 1g3g s ILE 32 Ca 0.01 -0.06 -0.17 0.00 -2.23 0.00 0.00 60.65 58.19 1g3g s ILE 32 Cb 0.08 -4.06 -0.04 0.00 -1.58 0.00 0.00 42.46 36.86 1g3g s ILE 32 CO 0.49 -1.02 1.10 0.52 -1.23 0.00 0.00 174.94 174.80 1g3g n VAL 33 N 7.43 -0.38 -3.78 2.92 0.31 -1.08 -4.49 118.33 119.26 1g3g n VAL 33 Ca 0.28 1.71 -0.10 0.00 -0.01 0.00 0.00 64.34 66.23 1g3g n VAL 33 Cb 0.50 -2.15 -0.04 0.00 -0.91 0.00 0.00 33.84 31.23 1g3g n VAL 33 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1g3g s ARG 35 N -3.89 2.19 -0.14 0.00 3.00 0.32 0.15 118.95 120.58 1g3g s ARG 35 Ca 0.11 -0.90 -0.21 0.00 -1.00 0.00 0.00 55.73 53.72 1g3g s ARG 35 Cb -0.00 -2.49 -0.03 0.00 0.00 0.00 0.00 34.95 32.43 1g3g s ARG 35 CO -0.02 -0.41 0.62 0.14 0.00 0.00 0.00 175.30 175.62 1g3g s VAL 36 N 1.35 5.07 -0.24 7.11 -7.23 0.43 0.16 120.40 127.03 1g3g s VAL 36 Ca -0.01 1.21 0.01 0.00 -1.81 0.00 0.00 61.98 61.38 1g3g s VAL 36 Cb -0.16 -3.94 0.06 0.00 0.56 0.00 0.00 36.38 32.90 1g3g s VAL 36 CO -0.08 0.20 -0.03 -0.63 -0.31 0.00 0.00 175.10 174.24 1g3g s ILE 37 N 1.28 1.49 -0.36 -0.62 1.01 0.48 -0.71 121.20 123.78 1g3g s ILE 37 Ca 0.31 -1.27 -0.07 0.00 0.00 0.00 0.00 60.65 59.62 1g3g s ILE 37 Cb -0.16 -1.81 0.05 0.00 0.01 0.00 0.00 42.46 40.54 1g3g s ILE 37 CO 0.13 -0.17 0.14 0.00 0.00 0.00 0.00 174.94 175.04 1g3g n THR 39 N 4.84 0.21 0.12 0.00 5.66 -1.26 -4.37 114.28 119.48 1g3g n THR 39 Ca -0.12 -0.29 0.20 0.00 -3.05 0.00 0.00 64.05 60.79 1g3g n THR 39 Cb 0.44 -0.06 0.75 0.00 -1.55 0.00 0.00 70.33 69.92 1g3g n THR 39 CO 0.00 0.00 0.00 0.71 -3.05 0.00 0.00 175.07 172.73 1g3g h THR 40 N 0.00 0.34 0.00 1.09 1.35 -1.92 -3.44 112.91 110.33 1g3g h THR 40 Ca -0.08 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.78 1g3g h THR 40 Cb 0.82 0.66 0.00 0.00 -1.73 0.00 0.00 68.15 67.90 1g3g h THR 40 CO 0.00 0.00 0.00 0.61 -0.25 0.00 0.00 175.52 175.88 1g3g n GLY 41 N -1.46 1.00 1.01 5.82 0.00 -1.26 -4.94 105.19 105.37 1g3g n GLY 41 Ca 0.06 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.08 1g3g n GLY 41 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g3g n GLN 42 N 0.00 0.00 -4.18 1.61 6.02 -1.26 -5.09 117.38 114.47 1g3g n GLN 42 Ca 0.00 0.00 -0.18 0.00 -0.01 0.00 0.00 57.00 56.81 1g3g n GLN 42 Cb 0.00 -0.11 -0.15 0.00 1.02 0.00 0.00 30.24 31.00 1g3g n GLN 42 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1g3g s ILE 43 N -1.22 0.49 0.58 5.09 1.01 -1.26 -5.05 121.20 120.84 1g3g s ILE 43 Ca 0.00 -0.18 -0.20 0.00 0.00 0.00 0.00 60.65 60.26 1g3g s ILE 43 Cb 0.00 -0.47 -0.04 0.00 0.01 0.00 0.00 42.46 41.97 1g3g s ILE 43 CO 0.00 0.18 1.30 -2.65 0.00 0.00 0.00 174.94 173.77 1g3g n PRO 44 N 3.46 1.44 -1.56 2.79 -0.02 -1.26 -3.61 135.00 136.23 1g3g n PRO 44 Ca -0.19 0.54 -0.56 0.00 -2.02 0.00 0.00 63.50 61.27 1g3g n PRO 44 Cb 0.54 -2.52 -0.07 0.00 -0.02 0.00 0.00 33.50 31.43 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 -1.37 0.02 -4.32 4.25 5.41 -1.26 -4.70 119.36 117.38 1g3g n ILE 45 Ca 0.12 -0.00 -0.21 0.00 1.00 0.00 0.00 62.75 63.66 1g3g n ILE 45 Cb 0.46 -0.47 -0.13 0.00 -0.71 0.00 0.00 39.64 38.79 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 0.55 1.02 -0.25 0.38 6.06 0.12 -5.02 118.95 121.80 1g3g s ARG 46 Ca 0.89 -0.96 -0.07 0.00 -2.50 0.00 0.00 55.73 53.09 1g3g s ARG 46 Cb -1.12 -1.11 -0.03 0.00 0.06 0.00 0.00 34.95 32.75 1g3g s ARG 46 CO 0.54 0.26 0.07 -0.51 -2.50 0.00 0.00 175.30 173.16 1g3g s ASP 47 N -1.55 5.15 -0.11 -2.12 1.11 -1.26 -0.43 116.67 117.45 1g3g s ASP 47 Ca 0.03 -0.20 -0.16 0.00 0.18 0.00 0.00 52.55 52.39 1g3g s ASP 47 Cb -0.09 -1.93 -0.05 0.00 1.07 0.00 0.00 42.92 41.93 1g3g s ASP 47 CO 0.02 -0.03 0.40 -0.76 1.18 0.00 0.00 175.17 175.98 1g3g s LEU 48 N 1.61 4.30 0.12 1.23 1.43 0.40 -4.94 118.68 122.83 1g3g s LEU 48 Ca 0.06 0.73 0.01 0.00 -1.03 0.00 0.00 54.13 53.91 1g3g s LEU 48 Cb -0.15 -2.56 -0.04 0.00 0.03 0.00 0.00 46.19 43.47 1g3g s LEU 48 CO 0.04 0.09 -0.02 -0.44 0.23 0.00 0.00 176.35 176.25 1g3g s SER 49 N 0.26 0.97 0.18 2.29 0.01 -1.26 -0.41 113.70 115.74 1g3g s SER 49 Ca 0.22 -1.09 -0.11 0.00 1.31 0.00 0.00 55.95 56.28 1g3g s SER 49 Cb -0.15 0.14 -0.00 0.00 0.21 0.00 0.00 66.02 66.23 1g3g s SER 49 CO 0.09 -0.55 0.34 0.00 0.41 0.00 0.00 173.24 173.52 1g3g s ALA 50 N -3.73 -0.16 -0.24 1.44 0.00 -1.10 -4.63 121.76 113.33 1g3g s ALA 50 Ca 0.17 -0.78 -0.19 0.00 0.00 0.00 0.00 51.96 51.16 1g3g s ALA 50 Cb 0.06 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 24.04 1g3g s ALA 50 CO -0.01 -0.69 0.54 -0.51 0.00 0.00 0.00 175.76 175.09 1g3g s ASP 51 N -2.96 6.50 0.11 0.00 1.01 -1.26 -4.50 116.67 115.57 1g3g s ASP 51 Ca 0.16 0.61 -0.17 0.00 0.71 0.00 0.00 52.55 53.86 1g3g s ASP 51 Cb 0.02 -2.30 -0.04 0.00 1.01 0.00 0.00 42.92 41.62 1g3g s ASP 51 CO 0.00 -0.28 1.61 0.40 0.21 0.00 0.00 175.17 177.12 1g3g h ILE 52 N 5.33 1.22 -0.61 0.77 2.04 -1.95 -1.86 117.51 122.44 1g3g h ILE 52 Ca -0.30 -0.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.75 1g3g h ILE 52 Cb 1.14 1.06 -0.03 0.00 -0.74 0.00 0.00 36.82 38.26 1g3g h ILE 52 CO 0.73 0.26 0.16 0.28 0.00 0.00 0.00 178.15 179.58 1g3g h SER 53 N 0.40 0.89 -0.32 1.72 0.02 -1.99 0.71 113.55 114.98 1g3g h SER 53 Ca 0.11 -0.17 -0.13 0.00 -0.84 0.00 0.00 61.79 60.76 1g3g h SER 53 Cb 0.31 -0.23 -0.01 0.00 0.14 0.00 0.00 62.40 62.60 1g3g h SER 53 CO 0.00 0.85 -0.28 1.56 -1.14 0.00 0.00 176.83 177.82 1g3g h GLN 54 N 0.91 0.83 -0.14 3.45 1.08 -1.82 -2.58 115.11 116.85 1g3g h GLN 54 Ca 0.20 -0.37 -0.21 0.00 -1.45 0.00 0.00 58.65 56.81 1g3g h GLN 54 Cb 0.31 -0.02 0.01 0.00 -0.05 0.00 0.00 27.48 27.73 1g3g h GLN 54 CO -0.00 1.01 -0.75 0.28 -0.95 0.00 0.00 178.83 178.42 1g3g h VAL 55 N 0.71 1.29 -0.81 -0.54 2.07 -1.04 -1.65 116.25 116.28 1g3g h VAL 55 Ca 0.08 -1.96 0.03 0.00 0.82 0.00 0.00 66.70 65.67 1g3g h VAL 55 Cb 0.83 2.05 -0.04 0.00 -1.52 0.00 0.00 31.29 32.60 1g3g h VAL 55 CO 0.07 0.62 0.53 0.25 0.02 0.00 0.00 177.57 179.06 1g3g h LEU 56 N 0.46 0.88 0.10 2.57 5.85 -0.82 -2.47 115.31 121.87 1g3g h LEU 56 Ca -0.06 -0.01 -0.29 0.00 0.84 0.00 0.00 57.88 58.36 1g3g h LEU 56 Cb 1.39 -0.21 0.02 0.00 0.37 0.00 0.00 40.66 42.23 1g3g h LEU 56 CO 0.15 0.61 -1.24 0.50 -0.34 0.00 0.00 178.44 178.13 1g3g h LYS 57 N 1.02 0.55 -6.83 1.25 3.64 -1.46 -3.48 116.57 111.26 1g3g h LYS 57 Ca 0.32 -0.76 -0.57 0.00 -1.27 0.00 0.00 60.65 58.37 1g3g h LYS 57 Cb 0.00 0.25 -0.20 0.00 -0.41 0.00 0.00 32.23 31.88 1g3g h LYS 57 CO -0.09 1.34 -0.89 -0.85 -2.27 0.00 0.00 179.45 176.69 1g3g n GLU 58 N -3.75 -2.30 -0.08 1.90 0.28 -0.62 -4.86 120.64 111.21 1g3g n GLU 58 Ca -0.13 0.28 -0.08 0.00 -0.16 0.00 0.00 57.16 57.07 1g3g n GLU 58 Cb 0.99 -4.55 -0.03 0.00 1.43 0.00 0.00 31.44 29.28 1g3g n GLU 58 CO 0.00 0.00 0.00 1.17 -0.16 0.00 0.00 177.13 178.14 1g3g n LYS 59 N -4.38 0.47 -2.33 3.44 4.81 -1.26 -4.87 118.16 114.04 1g3g n LYS 59 Ca -0.11 0.19 0.01 0.00 -0.87 0.00 0.00 58.31 57.52 1g3g n LYS 59 Cb 0.58 -1.32 0.04 0.00 0.02 0.00 0.00 35.03 34.35 1g3g n LYS 59 CO 0.00 0.00 0.00 2.89 1.17 0.00 0.00 177.40 181.46 1g3g n ARG 60 N -4.30 1.09 -2.70 1.64 1.85 -1.26 -4.91 116.66 108.07 1g3g n ARG 60 Ca -0.12 -2.69 -0.07 0.00 -1.00 0.00 0.00 57.85 53.97 1g3g n ARG 60 Cb 0.46 -0.81 0.09 0.00 -1.05 0.00 0.00 32.46 31.16 1g3g n ARG 60 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 177.63 178.05 1g3g n SER 61 N -0.35 -1.93 -3.24 2.89 7.64 -1.26 -5.04 113.62 112.33 1g3g n SER 61 Ca 0.02 -2.78 -0.25 0.00 1.01 0.00 0.00 58.87 56.88 1g3g n SER 61 Cb 0.90 1.36 -0.08 0.00 -1.01 0.00 0.00 64.21 65.39 1g3g n SER 61 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1g3g n ILE 62 N -0.15 -0.72 -2.69 0.44 0.13 -1.26 -3.99 119.36 111.13 1g3g n ILE 62 Ca -0.03 -3.93 -0.04 0.00 -1.10 0.00 0.00 62.75 57.65 1g3g n ILE 62 Cb 0.77 -1.91 0.05 0.00 -0.84 0.00 0.00 39.64 37.71 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 1.67 0.23 -4.90 9.51 4.81 -1.26 -4.73 118.16 123.48 1g3g n LYS 63 Ca 0.23 -1.00 -0.33 0.00 -0.87 0.00 0.00 58.31 56.34 1g3g n LYS 63 Cb 0.52 -0.34 -0.14 0.00 0.02 0.00 0.00 35.03 35.08 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 0.65 2.96 -0.01 1.64 2.20 -1.13 -5.01 119.74 121.04 1g3g s LYS 64 Ca 0.26 -0.73 0.01 0.00 -0.36 0.00 0.00 55.97 55.15 1g3g s LYS 64 Cb 0.15 -2.47 0.00 0.00 -1.51 0.00 0.00 37.83 34.01 1g3g s LYS 64 CO -0.11 0.37 -0.03 0.08 -0.36 0.00 0.00 175.35 175.31 1g3g s VAL 65 N -0.09 0.29 -0.12 4.02 1.01 -1.26 0.28 120.40 124.52 1g3g s VAL 65 Ca -0.03 -0.11 -0.07 0.00 0.00 0.00 0.00 61.98 61.77 1g3g s VAL 65 Cb -0.14 -0.27 -0.04 0.00 0.00 0.00 0.00 36.38 35.93 1g3g s VAL 65 CO 0.04 0.10 0.14 0.26 0.00 0.00 0.00 175.10 175.64 1g3g s TRP 66 N 0.15 3.60 -0.07 5.22 0.51 0.42 -4.89 118.94 123.89 1g3g s TRP 66 Ca -0.01 0.53 0.02 0.00 -2.12 0.00 0.00 56.10 54.52 1g3g s TRP 66 Cb -0.04 -1.95 0.01 0.00 -0.81 0.00 0.00 33.47 30.68 1g3g s TRP 66 CO -0.00 0.72 -0.14 0.99 -0.51 0.00 0.00 176.95 178.01 1g3g s THR 67 N -0.99 1.26 -0.29 2.01 2.01 -1.26 0.21 115.64 118.59 1g3g s THR 67 Ca 0.15 -0.55 -0.11 0.00 0.31 0.00 0.00 61.69 61.49 1g3g s THR 67 Cb -0.12 -1.14 -0.04 0.00 0.01 0.00 0.00 72.50 71.21 1g3g s THR 67 CO 0.04 0.38 0.19 -0.36 -0.69 0.00 0.00 174.62 174.18 1g3g s PHE 68 N 0.66 3.21 -4.89 4.92 0.08 0.30 0.28 117.98 122.54 1g3g s PHE 68 Ca -0.14 -0.07 0.00 0.00 0.12 0.00 0.00 56.93 56.84 1g3g s PHE 68 Cb -0.16 -2.39 0.00 0.00 -0.57 0.00 0.00 43.02 39.90 1g3g s PHE 68 CO 0.04 -0.25 0.00 0.41 -0.10 0.00 0.00 175.22 175.32 1g3g n GLY 69 N 5.05 -0.49 3.56 4.36 0.00 -1.22 0.02 105.19 116.47 1g3g n GLY 69 Ca -0.14 -1.01 -0.37 0.00 0.00 0.00 0.00 46.02 44.50 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 -1.95 3.20 0.10 1.61 1.70 -1.19 -3.82 118.95 118.59 1g3g s ARG 70 Ca 0.00 -0.64 -0.12 0.00 -0.47 0.00 0.00 55.73 54.50 1g3g s ARG 70 Cb 0.00 -5.02 0.01 0.00 -0.57 0.00 0.00 34.95 29.37 1g3g s ARG 70 CO 0.00 -2.52 0.27 -0.80 -1.08 0.00 0.00 175.30 171.17 1g3g s ASN 71 N 5.74 -0.02 0.00 -2.89 0.01 -1.26 -4.72 114.94 111.80 1g3g s ASN 71 Ca 0.52 -0.50 0.05 0.00 -0.71 0.00 0.00 52.86 52.22 1g3g s ASN 71 Cb -0.04 0.38 0.26 0.00 0.41 0.00 0.00 41.25 42.27 1g3g s ASN 71 CO -0.01 -0.76 1.05 -0.81 -1.51 0.00 0.00 177.10 175.06 1g3g n PRO 72 N -0.04 0.06 0.00 -0.60 -0.04 -1.26 -4.18 135.00 128.93 1g3g n PRO 72 Ca -0.16 0.27 0.00 0.00 -0.04 0.00 0.00 63.50 63.58 1g3g n PRO 72 Cb 0.62 -1.50 0.00 0.00 -0.04 0.00 0.00 33.50 32.58 1g3g n PRO 72 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1g3g n ALA 73 N -1.33 0.00 0.00 0.55 0.00 -1.26 -4.40 120.51 114.07 1g3g n ALA 73 Ca 0.02 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.46 1g3g n ALA 73 Cb 0.05 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 19.50 1g3g n ALA 73 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g3g n ASP 75 N -2.41 1.95 -3.84 0.00 -0.08 0.78 -4.47 116.55 108.48 1g3g n ASP 75 Ca -0.00 0.29 -0.12 0.00 -1.51 0.00 0.00 54.79 53.45 1g3g n ASP 75 Cb 0.01 -0.82 -0.12 0.00 2.34 0.00 0.00 41.12 42.53 1g3g n ASP 75 CO 0.00 0.00 0.00 -0.47 0.12 0.00 0.00 177.20 176.85 1g3g s TYR 76 N -2.47 -0.08 -0.45 -0.67 6.14 -1.12 -4.90 117.35 113.80 1g3g s TYR 76 Ca -0.33 0.20 -0.18 0.00 0.64 0.00 0.00 57.07 57.40 1g3g s TYR 76 Cb 0.10 0.02 0.04 0.00 0.42 0.00 0.00 41.96 42.54 1g3g s TYR 76 CO 0.57 -0.12 0.49 -1.58 0.64 0.00 0.00 175.55 175.55 1g3g s HIS 77 N -0.33 3.15 0.37 4.97 5.65 -1.26 -3.95 115.29 123.88 1g3g s HIS 77 Ca -0.04 -0.50 0.07 0.00 0.25 0.00 0.00 55.06 54.84 1g3g s HIS 77 Cb -0.03 -3.13 -0.03 0.00 -1.18 0.00 0.00 32.58 28.22 1g3g s HIS 77 CO 0.00 -0.81 0.24 -0.48 -0.65 0.00 0.00 174.74 173.05 1g3g s LEU 78 N 2.21 1.86 0.87 8.88 -0.00 -1.25 -4.91 118.68 126.33 1g3g s LEU 78 Ca 0.12 -1.78 -0.14 0.00 -0.00 0.00 0.00 54.13 52.33 1g3g s LEU 78 Cb -0.19 0.37 0.01 0.00 -0.00 0.00 0.00 46.19 46.39 1g3g s LEU 78 CO 0.12 -1.06 0.47 0.61 -0.00 0.00 0.00 176.35 176.50 1g3g n GLY 79 N -0.75 -1.79 3.14 -3.48 0.00 -1.26 -4.56 105.19 96.48 1g3g n GLY 79 Ca 0.03 -0.62 -0.37 0.00 0.00 0.00 0.00 46.02 45.06 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 -1.83 5.34 -0.13 1.61 4.22 -1.26 -4.19 114.94 118.70 1g3g s ASN 80 Ca 0.60 -2.02 -0.00 0.00 -2.14 0.00 0.00 52.86 49.30 1g3g s ASN 80 Cb -0.26 -1.86 -0.01 0.00 1.28 0.00 0.00 41.25 40.39 1g3g s ASN 80 CO 0.64 -0.57 -0.13 -0.63 -2.04 0.00 0.00 177.10 174.36 1g3g s ILE 81 N 1.17 3.02 0.62 0.54 -1.09 -1.26 -4.87 121.20 119.32 1g3g s ILE 81 Ca 0.08 -0.67 0.29 0.00 -2.23 0.00 0.00 60.65 58.12 1g3g s ILE 81 Cb -0.23 -2.27 0.35 0.00 -1.58 0.00 0.00 42.46 38.73 1g3g s ILE 81 CO -0.04 0.53 1.92 0.77 -1.23 0.00 0.00 174.94 176.89 1g3g h SER 82 N 6.70 0.00 0.00 3.58 4.64 -1.98 -2.79 113.55 123.70 1g3g h SER 82 Ca -0.25 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.07 1g3g h SER 82 Cb 1.21 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.30 1g3g h SER 82 CO 0.55 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 177.05 1g3g n ARG 83 N -3.41 0.00 -3.76 4.77 3.00 -1.26 -4.91 116.66 111.08 1g3g n ARG 83 Ca 0.04 0.00 -0.38 0.00 -0.01 0.00 0.00 57.85 57.50 1g3g n ARG 83 Cb 0.53 0.00 -0.12 0.00 0.00 0.00 0.00 32.46 32.87 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 4.30 0.00 0.55 2.01 -1.26 -4.36 118.68 119.92 1g3g s LEU 84 Ca 0.00 -1.15 0.00 0.00 0.01 0.00 0.00 54.13 52.99 1g3g s LEU 84 Cb 0.00 -1.86 0.00 0.00 0.01 0.00 0.00 46.19 44.34 1g3g s LEU 84 CO 0.00 -0.32 0.00 -1.20 1.01 0.00 0.00 176.35 175.84 1g3g n SER 85 N 4.80 0.00 -3.61 2.29 7.64 -1.26 -4.71 113.62 118.77 1g3g n SER 85 Ca -0.12 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.76 1g3g n SER 85 Cb 0.45 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.65 1g3g n SER 85 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1g3g n ASN 86 N 0.00 0.00 -3.82 6.43 3.02 -1.05 -3.15 115.26 116.68 1g3g n ASN 86 Ca 0.00 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.28 1g3g n ASN 86 Cb 0.00 0.00 -0.08 0.00 -0.61 0.00 0.00 39.78 39.09 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 0.01 0.12 3.52 2.85 -1.26 -3.44 118.16 119.97 1g3g n LYS 87 Ca 0.00 -0.81 0.13 0.00 -1.05 0.00 0.00 58.31 56.57 1g3g n LYS 87 Cb 0.00 -2.28 0.30 0.00 -0.65 0.00 0.00 35.03 32.40 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 9.50 0.00 -1.25 5.58 2.76 -0.44 -3.39 115.15 127.91 1g3g h HIS 88 Ca 0.14 0.00 0.30 0.00 -2.20 0.00 0.00 60.37 58.61 1g3g h HIS 88 Cb 0.72 0.00 -0.20 0.00 1.55 0.00 0.00 27.41 29.48 1g3g h HIS 88 CO 1.04 0.00 0.90 0.12 -1.30 0.00 0.00 177.93 178.69 1g3g s PHE 89 N -3.15 -0.07 0.07 5.26 2.19 0.34 -2.56 117.98 120.06 1g3g s PHE 89 Ca 0.09 0.04 -0.00 0.00 0.33 0.00 0.00 56.93 57.38 1g3g s PHE 89 Cb 0.11 0.51 -0.04 0.00 -1.31 0.00 0.00 43.02 42.29 1g3g s PHE 89 CO 0.64 -0.10 -0.03 -0.65 1.83 0.00 0.00 175.22 176.90 1g3g s GLN 90 N -2.21 0.69 -0.07 10.12 -0.21 0.23 0.11 119.66 128.31 1g3g s GLN 90 Ca 0.11 -1.26 0.04 0.00 0.02 0.00 0.00 55.36 54.26 1g3g s GLN 90 Cb -0.01 0.10 0.00 0.00 1.00 0.00 0.00 33.01 34.11 1g3g s GLN 90 CO -0.03 -0.10 -0.18 0.42 -2.12 0.00 0.00 175.29 173.28 1g3g s ILE 91 N -3.85 1.58 -0.08 1.08 1.01 0.58 0.12 121.20 121.63 1g3g s ILE 91 Ca 0.09 -0.76 -0.01 0.00 0.00 0.00 0.00 60.65 59.98 1g3g s ILE 91 Cb 0.07 -1.38 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1g3g s ILE 91 CO -0.08 0.45 -0.01 -0.76 0.00 0.00 0.00 174.94 174.54 1g3g s LEU 92 N 0.36 3.50 -0.07 2.97 1.43 0.51 0.16 118.68 127.54 1g3g s LEU 92 Ca -0.13 0.11 0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1g3g s LEU 92 Cb -0.15 -1.80 0.01 0.00 0.03 0.00 0.00 46.19 44.27 1g3g s LEU 92 CO 0.05 0.37 -0.16 -0.22 0.23 0.00 0.00 176.35 176.63 1g3g s LEU 93 N -0.91 1.80 0.00 1.79 1.98 0.14 0.13 118.68 123.62 1g3g s LEU 93 Ca 0.13 -0.36 0.00 0.00 -2.89 0.00 0.00 54.13 51.01 1g3g s LEU 93 Cb -0.11 -0.98 0.00 0.00 0.66 0.00 0.00 46.19 45.76 1g3g s LEU 93 CO 0.03 0.09 0.00 0.61 -1.89 0.00 0.00 176.35 175.18 1g3g n GLY 94 N 3.60 0.39 2.72 7.98 0.00 0.16 -2.84 105.19 117.20 1g3g n GLY 94 Ca -0.21 -1.55 -0.03 0.00 0.00 0.00 0.00 46.02 44.23 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 -1.57 -3.63 1.61 1.02 -1.26 -0.27 120.64 116.54 1g3g n GLU 95 Ca 0.00 1.61 -0.25 0.00 -0.02 0.00 0.00 57.16 58.50 1g3g n GLU 95 Cb 0.00 -5.06 0.07 0.00 -0.02 0.00 0.00 31.44 26.43 1g3g n GLU 95 CO 0.00 0.00 0.00 -3.47 1.18 0.00 0.00 177.13 174.84 1g3g n ASP 96 N -0.98 -6.19 -2.64 1.62 2.03 -1.26 -3.56 116.55 105.58 1g3g n ASP 96 Ca 0.05 -0.57 -0.01 0.00 0.52 0.00 0.00 54.79 54.79 1g3g n ASP 96 Cb 0.44 -4.87 0.00 0.00 -0.72 0.00 0.00 41.12 35.97 1g3g n ASP 96 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1g3g n GLY 97 N -1.96 -1.03 3.58 0.27 0.00 -1.25 -5.07 105.19 99.74 1g3g n GLY 97 Ca 0.01 0.39 -0.09 0.00 0.00 0.00 0.00 46.02 46.33 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 -2.67 -0.27 -0.11 1.61 2.47 0.63 -4.99 114.94 111.61 1g3g s ASN 98 Ca 0.03 -0.50 -0.03 0.00 0.42 0.00 0.00 52.86 52.78 1g3g s ASN 98 Cb -0.01 0.61 -0.03 0.00 -1.45 0.00 0.00 41.25 40.37 1g3g s ASN 98 CO 0.56 -1.11 0.01 -0.76 -3.72 0.00 0.00 177.10 172.08 1g3g s LEU 99 N -2.88 3.57 0.05 3.21 2.01 -1.26 0.36 118.68 123.73 1g3g s LEU 99 Ca 0.10 0.10 0.03 0.00 0.01 0.00 0.00 54.13 54.37 1g3g s LEU 99 Cb -0.02 -1.83 -0.02 0.00 0.01 0.00 0.00 46.19 44.32 1g3g s LEU 99 CO -0.01 0.32 -0.10 -0.76 1.01 0.00 0.00 176.35 176.81 1g3g s LEU 100 N -0.52 2.24 -0.12 1.79 1.02 0.35 -1.19 118.68 122.24 1g3g s LEU 100 Ca 0.09 -0.54 0.01 0.00 0.02 0.00 0.00 54.13 53.71 1g3g s LEU 100 Cb -0.12 -0.33 -0.01 0.00 0.02 0.00 0.00 46.19 45.74 1g3g s LEU 100 CO 0.02 -0.12 -0.15 -0.76 0.02 0.00 0.00 176.35 175.36 1g3g s LEU 101 N -1.51 2.60 -0.31 1.79 1.43 0.55 0.19 118.68 123.43 1g3g s LEU 101 Ca -0.05 -0.37 -0.06 0.00 -1.03 0.00 0.00 54.13 52.62 1g3g s LEU 101 Cb -0.09 -1.57 0.03 0.00 0.03 0.00 0.00 46.19 44.58 1g3g s LEU 101 CO 0.01 0.16 0.07 0.21 0.23 0.00 0.00 176.35 177.03 1g3g s ASN 102 N 0.36 5.09 -0.46 2.29 2.47 0.32 0.19 114.94 125.20 1g3g s ASN 102 Ca -0.12 -0.96 -0.26 0.00 0.42 0.00 0.00 52.86 51.93 1g3g s ASN 102 Cb -0.16 -1.83 0.03 0.00 -1.45 0.00 0.00 41.25 37.83 1g3g s ASN 102 CO 0.06 -0.25 0.97 -1.81 -3.72 0.00 0.00 177.10 172.35 1g3g s ASP 103 N 1.41 6.55 -0.25 -4.21 1.01 -1.23 0.74 116.67 120.68 1g3g s ASP 103 Ca -0.00 0.24 0.01 0.00 0.71 0.00 0.00 52.55 53.51 1g3g s ASP 103 Cb -0.18 -2.47 0.07 0.00 1.01 0.00 0.00 42.92 41.34 1g3g s ASP 103 CO 0.01 -1.07 -0.05 -0.51 0.21 0.00 0.00 175.17 173.76 1g3g s ILE 104 N 3.87 1.70 0.24 0.77 2.07 -1.24 0.11 121.20 128.72 1g3g s ILE 104 Ca 0.39 -1.43 0.01 0.00 -1.41 0.00 0.00 60.65 58.22 1g3g s ILE 104 Cb -0.10 -1.98 -0.05 0.00 0.13 0.00 0.00 42.46 40.47 1g3g s ILE 104 CO 0.27 -0.17 0.08 -0.44 -1.91 0.00 0.00 174.94 172.77 1g3g s SER 105 N 1.30 1.18 -0.01 4.50 0.01 -1.06 0.13 113.70 119.75 1g3g s SER 105 Ca -0.04 -1.35 -0.14 0.00 1.31 0.00 0.00 55.95 55.73 1g3g s SER 105 Cb -0.19 0.16 -0.08 0.00 0.21 0.00 0.00 66.02 66.12 1g3g s SER 105 CO -0.07 -0.70 0.74 0.74 0.41 0.00 0.00 173.24 174.36 1g3g h THR 106 N 2.44 0.00 0.00 1.44 2.02 -1.85 -3.43 112.91 113.53 1g3g h THR 106 Ca -0.38 -0.32 -0.14 0.00 0.77 0.00 0.00 66.41 66.34 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 0.61 0.00 -1.55 0.59 0.37 0.00 0.00 175.52 175.54 1g3g n ASN 107 N -4.24 3.10 -3.72 4.18 3.02 -1.26 -5.05 115.26 111.30 1g3g n ASN 107 Ca -0.06 -0.01 -0.13 0.00 -0.03 0.00 0.00 54.58 54.34 1g3g n ASN 107 Cb 0.20 0.49 -0.13 0.00 -0.61 0.00 0.00 39.78 39.72 1g3g n ASN 107 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1g3g s GLY 108 N -4.20 -0.11 -0.03 7.41 0.00 -1.26 -5.04 107.32 104.09 1g3g s GLY 108 Ca -0.06 0.91 0.07 0.00 0.00 0.00 0.00 44.72 45.64 1g3g s GLY 108 CO 0.30 1.35 -0.24 -1.59 0.00 0.00 0.00 173.10 172.92 1g3g s THR 109 N 1.49 1.93 0.11 0.90 2.01 -1.26 -4.13 115.64 116.69 1g3g s THR 109 Ca -0.07 -1.03 0.10 0.00 0.31 0.00 0.00 61.69 61.01 1g3g s THR 109 Cb -0.11 -1.61 -0.04 0.00 0.01 0.00 0.00 72.50 70.75 1g3g s THR 109 CO -0.08 0.54 -0.26 0.26 -0.69 0.00 0.00 174.62 174.39 1g3g s TRP 110 N -0.39 2.24 -0.23 4.92 0.51 0.46 -0.69 118.94 125.76 1g3g s TRP 110 Ca 0.04 -0.39 0.02 0.00 -2.12 0.00 0.00 56.10 53.65 1g3g s TRP 110 Cb -0.11 -1.24 0.05 0.00 -0.81 0.00 0.00 33.47 31.37 1g3g s TRP 110 CO 0.01 0.28 -0.10 -1.17 -0.51 0.00 0.00 176.95 175.46 1g3g s LEU 111 N -1.89 2.79 -1.63 2.99 2.96 -0.50 0.12 118.68 123.52 1g3g s LEU 111 Ca 0.13 -1.14 -0.12 0.00 -0.22 0.00 0.00 54.13 52.77 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 0.05 -0.17 0.58 0.59 -1.32 0.00 0.00 176.35 176.08 1g3g n ASN 112 N 4.58 -1.89 -0.11 3.68 3.02 -0.04 -0.00 115.26 124.49 1g3g n ASN 112 Ca -0.14 -1.07 -0.01 0.00 -0.03 0.00 0.00 54.58 53.33 1g3g n ASN 112 Cb 0.44 -2.57 -0.00 0.00 -0.61 0.00 0.00 39.78 37.05 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 -1.65 0.40 2.59 7.41 0.00 -1.26 -5.02 105.19 107.66 1g3g n GLY 113 Ca -0.06 -0.94 -0.29 0.00 0.00 0.00 0.00 46.02 44.73 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 -3.09 0.48 0.11 1.61 -0.21 1.00 -5.11 119.66 114.44 1g3g s GLN 114 Ca 0.00 -0.93 -0.35 0.00 0.02 0.00 0.00 55.36 54.10 1g3g s GLN 114 Cb 0.00 -1.50 -0.17 0.00 1.00 0.00 0.00 33.01 32.34 1g3g s GLN 114 CO 0.00 -1.05 1.14 1.17 -2.12 0.00 0.00 175.29 174.42 1g3g n LYS 115 N 4.80 0.79 -4.38 2.91 4.81 -1.26 -1.42 118.16 124.41 1g3g n LYS 115 Ca -0.01 0.28 -0.28 0.00 -0.87 0.00 0.00 58.31 57.44 1g3g n LYS 115 Cb 0.41 -1.78 -0.06 0.00 0.02 0.00 0.00 35.03 33.61 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 1.66 0.00 -3.07 3.15 0.24 0.14 -4.84 118.33 115.60 1g3g n VAL 116 Ca 0.17 -2.21 -0.38 0.00 -2.04 0.00 0.00 64.34 59.89 1g3g n VAL 116 Cb 0.19 0.58 -0.06 0.00 -1.47 0.00 0.00 33.84 33.08 1g3g n VAL 116 CO 0.00 0.00 0.00 -1.61 -2.14 0.00 0.00 176.83 173.08 1g3g s GLU 117 N -3.59 4.37 0.96 7.34 2.02 -1.26 -4.45 118.70 124.08 1g3g s GLU 117 Ca 0.07 0.96 -0.11 0.00 0.02 0.00 0.00 54.97 55.92 1g3g s GLU 117 Cb 0.00 -3.06 0.17 0.00 0.10 0.00 0.00 34.13 31.34 1g3g s GLU 117 CO 0.05 0.49 1.10 0.21 0.02 0.00 0.00 175.26 177.13 1g3g s LYS 118 N -1.56 0.73 -1.36 1.61 2.20 -1.26 -3.03 119.74 117.06 1g3g s LYS 118 Ca 0.39 1.13 -0.17 0.00 -0.36 0.00 0.00 55.97 56.95 1g3g s LYS 118 Cb -0.19 -1.72 0.17 0.00 -1.51 0.00 0.00 37.83 34.57 1g3g s LYS 118 CO 0.23 -2.69 0.43 0.09 -0.36 0.00 0.00 175.35 173.05 1g3g n ASN 119 N -4.23 -1.33 -4.22 1.43 3.02 0.30 -4.85 115.26 105.38 1g3g n ASN 119 Ca 0.08 -0.90 -0.37 0.00 -0.03 0.00 0.00 54.58 53.36 1g3g n ASN 119 Cb 0.54 -1.16 -0.12 0.00 -0.61 0.00 0.00 39.78 38.42 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 -2.63 5.28 0.51 6.41 1.04 -1.17 -4.91 113.70 118.23 1g3g s SER 120 Ca 0.61 -1.40 -0.21 0.00 0.48 0.00 0.00 55.95 55.42 1g3g s SER 120 Cb -0.35 -1.85 -0.08 0.00 0.10 0.00 0.00 66.02 63.83 1g3g s SER 120 CO 0.74 -0.39 0.93 0.59 0.98 0.00 0.00 173.24 176.09 1g3g n ASN 121 N 4.75 0.77 -4.22 7.02 4.13 -1.26 -3.53 115.26 122.93 1g3g n ASN 121 Ca -0.10 0.91 -0.19 0.00 1.68 0.00 0.00 54.58 56.88 1g3g n ASN 121 Cb 0.43 -1.34 -0.12 0.00 -1.54 0.00 0.00 39.78 37.22 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 -2.29 0.96 -0.18 3.52 -1.52 0.51 -4.84 119.66 115.82 1g3g s GLN 122 Ca 0.68 -1.11 -0.28 0.00 -1.95 0.00 0.00 55.36 52.70 1g3g s GLN 122 Cb -0.49 -0.94 -0.00 0.00 -0.22 0.00 0.00 33.01 31.36 1g3g s GLN 122 CO 0.53 0.20 0.98 -1.17 -0.25 0.00 0.00 175.29 175.58 1g3g s LEU 123 N -2.09 4.16 0.27 2.90 1.98 -1.26 -0.33 118.68 124.31 1g3g s LEU 123 Ca 0.04 1.38 -0.28 0.00 -2.89 0.00 0.00 54.13 52.38 1g3g s LEU 123 Cb -0.08 -3.47 -0.15 0.00 0.66 0.00 0.00 46.19 43.15 1g3g s LEU 123 CO 0.03 -0.54 0.96 0.00 -1.89 0.00 0.00 176.35 174.91 1g3g n LEU 124 N 5.66 1.35 -4.26 -0.68 -0.00 -0.33 -4.84 117.00 113.90 1g3g n LEU 124 Ca 0.09 1.17 -0.20 0.00 -0.00 0.00 0.00 56.01 57.07 1g3g n LEU 124 Cb 0.48 -1.24 -0.12 0.00 -0.00 0.00 0.00 43.42 42.54 1g3g n LEU 124 CO 0.51 -1.61 -0.48 -0.55 -0.00 0.00 0.00 177.39 175.27 1g3g s SER 125 N -0.57 2.21 -0.29 1.45 0.15 -1.26 -5.03 113.70 110.36 1g3g s SER 125 Ca 0.61 -0.75 -0.29 0.00 0.70 0.00 0.00 55.95 56.22 1g3g s SER 125 Cb -0.75 -0.10 -0.01 0.00 -1.71 0.00 0.00 66.02 63.45 1g3g s SER 125 CO 0.59 -0.06 1.53 -1.58 1.20 0.00 0.00 173.24 174.92 1g3g s GLN 126 N -2.30 3.73 -1.34 5.44 2.00 -1.26 -2.68 119.66 123.24 1g3g s GLN 126 Ca 0.07 1.41 -0.01 0.00 -2.00 0.00 0.00 55.36 54.83 1g3g s GLN 126 Cb -0.07 -4.02 0.00 0.00 0.80 0.00 0.00 33.01 29.72 1g3g s GLN 126 CO 0.04 -1.37 0.07 0.41 -0.50 0.00 0.00 175.29 173.94 1g3g n GLY 127 N 4.75 -0.28 3.45 2.59 0.00 -1.17 -4.96 105.19 109.57 1g3g n GLY 127 Ca 0.18 -0.19 -0.33 0.00 0.00 0.00 0.00 46.02 45.68 1g3g n GLY 127 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g3g n ASP 128 N -1.13 -1.69 -3.76 1.61 2.03 -0.75 -4.55 116.55 108.31 1g3g n ASP 128 Ca -0.17 0.32 -0.13 0.00 0.52 0.00 0.00 54.79 55.33 1g3g n ASP 128 Cb 0.64 -1.24 -0.12 0.00 -0.72 0.00 0.00 41.12 39.67 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 -3.81 0.25 -0.14 -0.67 2.12 -1.26 0.11 118.70 115.30 1g3g s GLU 129 Ca 0.59 0.42 -0.01 0.00 0.36 0.00 0.00 54.97 56.33 1g3g s GLU 129 Cb -0.21 0.02 -0.01 0.00 0.26 0.00 0.00 34.13 34.18 1g3g s GLU 129 CO 0.66 -0.09 -0.12 0.42 -0.54 0.00 0.00 175.26 175.59 1g3g s ILE 130 N 0.64 3.11 -0.03 -3.70 -1.09 0.44 -0.86 121.20 119.72 1g3g s ILE 130 Ca -0.04 -0.63 -0.02 0.00 -2.23 0.00 0.00 60.65 57.73 1g3g s ILE 130 Cb -0.06 -2.32 -0.04 0.00 -1.58 0.00 0.00 42.46 38.46 1g3g s ILE 130 CO -0.04 0.51 0.10 -0.89 -1.23 0.00 0.00 174.94 173.39 1g3g s THR 131 N 0.49 4.89 0.04 2.92 2.01 0.33 0.78 115.64 127.09 1g3g s THR 131 Ca -0.08 -0.28 -0.02 0.00 0.31 0.00 0.00 61.69 61.62 1g3g s THR 131 Cb -0.16 -3.21 -0.03 0.00 0.01 0.00 0.00 72.50 69.11 1g3g s THR 131 CO 0.04 0.41 0.01 0.68 -0.69 0.00 0.00 174.62 175.07 1g3g s VAL 132 N -1.16 0.17 -0.67 3.82 -7.23 0.42 0.18 120.40 115.92 1g3g s VAL 132 Ca 0.22 -1.37 -0.04 0.00 -1.81 0.00 0.00 61.98 58.97 1g3g s VAL 132 Cb -0.12 -1.03 0.00 0.00 0.56 0.00 0.00 36.38 35.80 1g3g s VAL 132 CO 0.12 -0.76 0.55 0.61 -0.31 0.00 0.00 175.10 175.31 1g3g n GLY 133 N 0.66 0.22 3.81 2.32 0.00 -1.26 -0.17 105.19 110.76 1g3g n GLY 133 Ca -0.18 -0.24 -0.32 0.00 0.00 0.00 0.00 46.02 45.28 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 -3.12 3.88 0.00 1.61 1.01 -1.26 -3.94 120.40 118.57 1g3g s VAL 134 Ca 0.27 0.77 0.00 0.00 0.00 0.00 0.00 61.98 63.02 1g3g s VAL 134 Cb -0.12 -3.37 0.00 0.00 0.00 0.00 0.00 36.38 32.89 1g3g s VAL 134 CO 0.34 -0.64 0.00 0.61 0.00 0.00 0.00 175.10 175.41 1g3g n GLY 135 N -1.37 2.47 3.11 4.51 0.00 -1.26 -5.01 105.19 107.63 1g3g n GLY 135 Ca 0.08 -0.28 -0.26 0.00 0.00 0.00 0.00 46.02 45.57 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 1.37 0.48 1.61 1.01 -1.26 -5.02 120.40 118.59 1g3g s VAL 136 Ca 0.00 -0.66 0.26 0.00 0.00 0.00 0.00 61.98 61.57 1g3g s VAL 136 Cb 0.00 -1.19 0.44 0.00 0.00 0.00 0.00 36.38 35.63 1g3g s VAL 136 CO 0.00 0.40 1.86 -0.08 0.00 0.00 0.00 175.10 177.28 1g3g h GLU 137 N 6.44 0.18 -0.34 2.72 4.81 -1.99 0.69 114.58 127.08 1g3g h GLU 137 Ca -0.31 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1g3g h GLU 137 Cb 1.18 -0.04 0.00 0.00 0.63 0.00 0.00 28.75 30.52 1g3g h GLU 137 CO 0.48 0.12 0.00 0.43 -0.73 0.00 0.00 179.01 179.31 1g3g n SER 138 N -4.39 2.61 -1.01 1.04 7.64 -1.26 -4.15 113.62 114.09 1g3g n SER 138 Ca 0.20 -1.89 0.05 0.00 1.01 0.00 0.00 58.87 58.23 1g3g n SER 138 Cb 0.87 -0.22 0.13 0.00 -1.01 0.00 0.00 64.21 63.98 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 1.47 -4.72 6.43 2.03 0.24 -5.05 116.55 117.88 1g3g n ASP 139 Ca 0.18 -3.11 -0.35 0.00 0.52 0.00 0.00 54.79 52.03 1g3g n ASP 139 Cb 0.46 -0.43 -0.09 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 -1.95 4.49 -0.07 5.18 1.01 -1.09 -4.39 121.20 124.37 1g3g s ILE 140 Ca 0.36 -0.25 0.04 0.00 0.00 0.00 0.00 60.65 60.80 1g3g s ILE 140 Cb 0.38 -2.93 -0.02 0.00 0.01 0.00 0.00 42.46 39.90 1g3g s ILE 140 CO -0.11 0.55 -0.19 -0.76 0.00 0.00 0.00 174.94 174.43 1g3g s LEU 141 N -1.08 2.43 0.16 2.97 1.43 0.76 -4.98 118.68 120.37 1g3g s LEU 141 Ca 0.15 -0.37 0.11 0.00 -1.03 0.00 0.00 54.13 52.99 1g3g s LEU 141 Cb -0.11 -1.49 -0.04 0.00 0.03 0.00 0.00 46.19 44.58 1g3g s LEU 141 CO 0.05 0.25 -0.25 -0.55 0.23 0.00 0.00 176.35 176.08 1g3g s SER 142 N -0.20 3.34 -0.03 2.29 0.15 -1.26 0.16 113.70 118.15 1g3g s SER 142 Ca -0.01 -0.81 0.01 0.00 0.70 0.00 0.00 55.95 55.83 1g3g s SER 142 Cb -0.13 -0.23 0.02 0.00 -1.71 0.00 0.00 66.02 63.96 1g3g s SER 142 CO 0.03 0.14 -0.03 -0.22 1.20 0.00 0.00 173.24 174.36 1g3g s LEU 143 N -2.40 1.38 -0.06 3.45 1.98 0.23 -4.13 118.68 119.14 1g3g s LEU 143 Ca 0.17 -0.09 0.02 0.00 -2.89 0.00 0.00 54.13 51.34 1g3g s LEU 143 Cb -0.09 -0.35 -0.03 0.00 0.66 0.00 0.00 46.19 46.38 1g3g s LEU 143 CO 0.08 -0.05 -0.09 -0.69 -1.89 0.00 0.00 176.35 173.71 1g3g s VAL 144 N 0.79 3.49 -0.14 1.68 1.01 0.11 0.17 120.40 127.50 1g3g s VAL 144 Ca -0.09 -0.57 0.01 0.00 0.00 0.00 0.00 61.98 61.32 1g3g s VAL 144 Cb -0.13 -2.41 -0.00 0.00 0.00 0.00 0.00 36.38 33.84 1g3g s VAL 144 CO -0.00 0.59 -0.17 -0.63 0.00 0.00 0.00 175.10 174.89 1g3g s ILE 145 N -0.79 2.57 -0.20 2.22 1.01 0.31 0.18 121.20 126.50 1g3g s ILE 145 Ca 0.12 -0.81 -0.06 0.00 0.00 0.00 0.00 60.65 59.90 1g3g s ILE 145 Cb -0.11 -2.07 -0.03 0.00 0.01 0.00 0.00 42.46 40.27 1g3g s ILE 145 CO 0.01 0.53 0.02 0.12 0.00 0.00 0.00 174.94 175.62 1g3g s PHE 146 N 0.69 3.09 -0.16 3.97 2.19 0.41 -1.81 117.98 126.36 1g3g s PHE 146 Ca -0.08 -0.31 -0.06 0.00 0.33 0.00 0.00 56.93 56.81 1g3g s PHE 146 Cb -0.16 -2.10 -0.04 0.00 -1.31 0.00 0.00 43.02 39.41 1g3g s PHE 146 CO 0.02 -0.15 0.07 0.42 1.83 0.00 0.00 175.22 177.40 1g3g s ILE 147 N 0.91 4.84 -0.44 3.12 -1.09 -1.26 0.12 121.20 127.41 1g3g s ILE 147 Ca 0.02 -0.02 -0.26 0.00 -2.23 0.00 0.00 60.65 58.16 1g3g s ILE 147 Cb -0.14 -3.15 0.02 0.00 -1.58 0.00 0.00 42.46 37.61 1g3g s ILE 147 CO 0.02 0.51 0.93 0.54 -1.23 0.00 0.00 174.94 175.71 1g3g s ASN 148 N -0.08 6.55 0.56 3.58 4.22 -1.24 -4.90 114.94 123.64 1g3g s ASN 148 Ca 0.07 0.25 0.26 0.00 -2.14 0.00 0.00 52.86 51.30 1g3g s ASN 148 Cb -0.12 -2.45 1.53 0.00 1.28 0.00 0.00 41.25 41.48 1g3g s ASN 148 CO 0.01 -1.00 2.06 -2.24 -2.04 0.00 0.00 177.10 173.90 1g3g h ASP 149 N 8.92 0.00 -0.74 3.54 3.04 -1.94 -0.70 116.42 128.54 1g3g h ASP 149 Ca -0.24 0.00 0.07 0.00 -3.24 0.00 0.00 57.03 53.62 1g3g h ASP 149 Cb 1.08 0.00 -0.05 0.00 -1.04 0.00 0.00 39.33 39.32 1g3g h ASP 149 CO 1.01 0.00 0.49 0.50 -2.04 0.00 0.00 179.24 179.20 1g3g h LYS 150 N 0.00 0.72 -0.49 4.15 1.63 -1.89 -1.40 116.57 119.28 1g3g h LYS 150 Ca 0.13 -0.04 -0.08 0.00 -0.85 0.00 0.00 60.65 59.80 1g3g h LYS 150 Cb 0.62 -0.16 -0.02 0.00 -0.60 0.00 0.00 32.23 32.07 1g3g h LYS 150 CO -0.00 0.48 -0.01 0.35 -3.45 0.00 0.00 179.45 176.82 1g3g h PHE 151 N 0.75 0.96 -0.02 1.91 3.04 -1.27 -1.99 116.94 120.32 1g3g h PHE 151 Ca 0.33 -0.17 -0.00 0.00 3.98 0.00 0.00 57.97 62.10 1g3g h PHE 151 Cb 0.31 -0.25 -0.00 0.00 2.56 0.00 0.00 35.95 38.57 1g3g h PHE 151 CO -0.00 0.91 0.01 0.87 -2.02 0.00 0.00 178.31 178.07 1g3g h LYS 152 N 0.74 0.02 -0.85 1.11 1.57 -1.35 -0.99 116.57 116.82 1g3g h LYS 152 Ca 0.14 -0.00 0.03 0.00 -1.87 0.00 0.00 60.65 58.94 1g3g h LYS 152 Cb 0.53 -0.00 -0.05 0.00 0.08 0.00 0.00 32.23 32.79 1g3g h LYS 152 CO 0.03 0.12 0.56 0.37 -0.57 0.00 0.00 179.45 179.96 1g3g h GLN 153 N -0.08 1.06 -0.31 3.15 -0.00 -1.31 0.18 115.11 117.80 1g3g h GLN 153 Ca 0.01 -0.06 -0.05 0.00 -0.00 0.00 0.00 58.65 58.55 1g3g h GLN 153 Cb 0.10 -0.24 -0.01 0.00 0.00 0.00 0.00 27.48 27.33 1g3g h GLN 153 CO -0.00 0.70 0.02 0.00 0.00 0.00 0.00 178.83 179.55 1g3g h LEU 155 N 0.34 0.79 -1.02 0.00 -0.00 -0.71 0.53 115.31 115.24 1g3g h LEU 155 Ca 0.09 -0.32 0.01 0.00 -0.00 0.00 0.00 57.88 57.66 1g3g h LEU 155 Cb 0.41 -0.22 -0.05 0.00 -0.00 0.00 0.00 40.66 40.80 1g3g h LEU 155 CO 0.01 1.04 0.65 -0.33 -0.00 0.00 0.00 178.44 179.81 1g3g h GLU 156 N 0.65 1.31 0.11 1.13 5.08 -0.54 -2.91 114.58 119.39 1g3g h GLU 156 Ca 0.07 -0.08 -0.32 0.00 -1.00 0.00 0.00 59.36 58.03 1g3g h GLU 156 Cb 0.83 -0.29 -0.01 0.00 0.50 0.00 0.00 28.75 29.77 1g3g h GLU 156 CO 0.07 0.87 -1.67 0.37 -1.00 0.00 0.00 179.01 177.65 1g3g h GLN 157 N 1.34 0.23 -6.19 2.33 4.15 -1.28 -3.50 115.11 112.19 1g3g h GLN 157 Ca 0.36 -0.39 0.00 0.00 0.77 0.00 0.00 58.65 59.39 1g3g h GLN 157 Cb -0.15 0.15 -0.00 0.00 0.21 0.00 0.00 27.48 27.68 1g3g h GLN 157 CO -0.08 1.06 -0.94 0.27 -1.93 0.00 0.00 178.83 177.21 1g3g n ASN 158 N -3.41 -6.75 -4.65 -0.69 0.23 0.18 -4.81 115.26 95.36 1g3g n ASN 158 Ca -0.20 0.57 -0.43 0.00 -0.53 0.00 0.00 54.58 53.99 1g3g n ASN 158 Cb 1.05 -2.06 -0.02 0.00 -2.08 0.00 0.00 39.78 36.66 1g3g n ASN 158 CO 0.00 0.00 0.00 -1.59 -0.93 0.00 0.00 177.26 174.74 1g3g s LYS 159 N -1.01 4.08 -0.08 -3.83 -2.85 -1.26 -5.01 119.74 109.79 1g3g s LYS 159 Ca -0.00 1.48 -0.18 0.00 -1.00 0.00 0.00 55.97 56.27 1g3g s LYS 159 Cb 0.00 -3.82 -0.05 0.00 -2.06 0.00 0.00 37.83 31.90 1g3g s LYS 159 CO 0.10 -0.90 0.49 0.08 0.10 0.00 0.00 175.35 175.22 1g3g s VAL 160 N 3.93 5.11 -0.08 1.79 1.01 -1.26 -4.97 120.40 125.93 1g3g s VAL 160 Ca 0.56 0.99 0.10 0.00 0.00 0.00 0.00 61.98 63.62 1g3g s VAL 160 Cb -0.20 -3.82 -0.24 0.00 0.00 0.00 0.00 36.38 32.13 1g3g s VAL 160 CO 0.19 0.38 0.53 -0.90 0.00 0.00 0.00 175.10 175.30 1g3g n ASP 161 N 3.21 1.00 0.00 3.32 5.75 -1.26 -4.63 116.55 123.94 1g3g n ASP 161 Ca -0.08 0.33 0.00 0.00 -0.01 0.00 0.00 54.79 55.03 1g3g n ASP 161 Cb 0.52 -0.08 0.00 0.00 -1.03 0.00 0.00 41.12 40.52 1g3g n ASP 161 CO 0.00 0.00 0.00 -1.14 -0.11 0.00 0.00 177.20 175.95 1g3g n ARG 162 N -3.09 0.00 -4.26 0.11 0.63 -1.26 -4.85 116.66 103.94 1g3g n ARG 162 Ca -0.22 0.10 -0.35 0.00 -0.92 0.00 0.00 57.85 56.47 1g3g n ARG 162 Cb 1.06 -0.84 -0.10 0.00 0.45 0.00 0.00 32.46 33.03 1g3g n ARG 162 CO 0.00 0.00 0.00 0.96 -2.51 0.00 0.00 177.63 176.08 1g3g s ILE 163 N -0.78 4.44 -2.17 5.15 -4.36 -1.26 -5.32 121.20 116.90 1g3g s ILE 163 Ca 0.00 -0.18 0.31 0.00 -0.26 0.00 0.00 60.65 60.51 1g3g s ILE 163 Cb 0.00 -2.92 0.78 0.00 1.25 0.00 0.00 42.46 41.58 1g3g s ILE 163 CO 0.00 0.56 2.06 -2.11 0.24 0.00 0.00 174.94 175.69