#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y71 n PHE 5 N 0.00 2.58 -2.87 -1.42 3.01 -1.26 -4.99 117.46 112.51 1y71 n PHE 5 Ca 0.00 0.46 -0.30 0.00 1.01 0.00 0.00 57.45 58.63 1y71 n PHE 5 Cb 0.00 -2.48 -0.03 0.00 -0.01 0.00 0.00 39.48 36.96 1y71 n PHE 5 CO 0.00 0.00 0.00 -1.21 1.01 0.00 0.00 176.76 176.56 1y71 s GLU 6 N -1.60 3.74 0.22 -1.08 2.02 -1.26 -4.97 118.70 115.77 1y71 s GLU 6 Ca 0.57 0.41 -0.32 0.00 0.02 0.00 0.00 54.97 55.65 1y71 s GLU 6 Cb -0.54 -2.41 -0.12 0.00 0.10 0.00 0.00 34.13 31.16 1y71 s GLU 6 CO 0.59 -0.03 1.65 -0.89 0.02 0.00 0.00 175.26 176.61 1y71 n ILE 7 N -1.36 0.23 0.00 -1.63 5.41 -1.26 -1.12 119.36 119.63 1y71 n ILE 7 Ca 0.02 -0.06 0.00 0.00 1.00 0.00 0.00 62.75 63.71 1y71 n ILE 7 Cb 0.54 -1.86 0.00 0.00 -0.71 0.00 0.00 39.64 37.61 1y71 n ILE 7 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1y71 n GLY 8 N 3.43 2.39 3.75 7.39 0.00 0.99 -5.01 105.19 118.13 1y71 n GLY 8 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1y71 n GLY 8 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y71 s GLU 9 N -0.86 4.12 -0.15 1.61 2.56 -0.28 -4.65 118.70 121.05 1y71 s GLU 9 Ca 0.00 2.58 -0.23 0.00 0.00 0.00 0.00 54.97 57.32 1y71 s GLU 9 Cb 0.00 -3.03 -0.03 0.00 2.00 0.00 0.00 34.13 33.08 1y71 s GLU 9 CO 0.00 -0.64 0.69 0.42 -0.56 0.00 0.00 175.26 175.17 1y71 s ILE 10 N 0.09 5.00 0.13 -3.70 -1.09 -1.26 -1.13 121.20 119.23 1y71 s ILE 10 Ca 0.64 1.36 -0.01 0.00 -2.23 0.00 0.00 60.65 60.41 1y71 s ILE 10 Cb -0.48 -4.01 -0.04 0.00 -1.58 0.00 0.00 42.46 36.35 1y71 s ILE 10 CO 0.47 0.13 0.05 0.68 -1.23 0.00 0.00 174.94 175.04 1y71 s VAL 11 N 1.63 0.15 0.08 2.92 -7.23 0.18 -1.11 120.40 117.02 1y71 s VAL 11 Ca 0.33 -1.91 -0.05 0.00 -1.81 0.00 0.00 61.98 58.55 1y71 s VAL 11 Cb -0.16 -2.02 -0.05 0.00 0.56 0.00 0.00 36.38 34.71 1y71 s VAL 11 CO 0.13 -0.50 0.31 0.42 -0.31 0.00 0.00 175.10 175.15 1y71 s THR 12 N -4.01 5.25 -0.01 5.32 -4.23 0.70 -0.83 115.64 117.83 1y71 s THR 12 Ca 0.23 0.01 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1y71 s THR 12 Cb 0.07 -3.61 -0.00 0.00 1.34 0.00 0.00 72.50 70.30 1y71 s THR 12 CO 0.01 0.18 -0.06 -0.83 -0.54 0.00 0.00 174.62 173.38 1y71 s GLY 13 N -2.18 0.29 -0.20 3.99 0.00 -0.50 -0.99 107.32 107.72 1y71 s GLY 13 Ca 0.35 -0.23 -0.08 0.00 0.00 0.00 0.00 44.72 44.75 1y71 s GLY 13 CO 0.22 -0.17 0.08 -0.42 0.00 0.00 0.00 173.10 172.82 1y71 s ILE 14 N -0.07 4.84 -0.16 0.90 1.01 -1.26 -1.09 121.20 125.37 1y71 s ILE 14 Ca 0.01 -0.01 -0.05 0.00 0.00 0.00 0.00 60.65 60.60 1y71 s ILE 14 Cb -0.03 -3.21 0.08 0.00 0.01 0.00 0.00 42.46 39.31 1y71 s ILE 14 CO -0.00 0.42 0.33 -0.47 0.00 0.00 0.00 174.94 175.21 1y71 s TYR 15 N 0.70 -0.58 -1.48 3.97 5.04 -0.11 -4.83 117.35 120.06 1y71 s TYR 15 Ca 0.04 1.16 -0.07 0.00 -2.44 0.00 0.00 57.07 55.76 1y71 s TYR 15 Cb -0.13 0.09 0.05 0.00 0.35 0.00 0.00 41.96 42.32 1y71 s TYR 15 CO 0.02 -0.43 0.68 1.63 -1.34 0.00 0.00 175.55 176.11 1y71 n LYS 16 N 5.37 -4.09 -0.05 4.97 4.76 -1.26 -1.52 118.16 126.33 1y71 n LYS 16 Ca -0.07 0.48 0.00 0.00 -2.87 0.00 0.00 58.31 55.86 1y71 n LYS 16 Cb 0.50 -4.99 0.00 0.00 -1.84 0.00 0.00 35.03 28.70 1y71 n LYS 16 CO 0.00 0.00 0.00 0.25 -1.37 0.00 0.00 177.40 176.28 1y71 n THR 17 N -4.44 0.00 -2.98 -0.18 -2.24 -1.26 -4.55 114.28 98.63 1y71 n THR 17 Ca -0.15 0.00 -0.26 0.00 -2.27 0.00 0.00 64.05 61.37 1y71 n THR 17 Cb 0.61 -0.01 -0.01 0.00 -2.10 0.00 0.00 70.33 68.83 1y71 n THR 17 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 1y71 s GLY 18 N -2.00 1.43 -0.04 3.38 0.00 -0.58 -4.45 107.32 105.07 1y71 s GLY 18 Ca 0.00 -0.68 0.02 0.00 0.00 0.00 0.00 44.72 44.06 1y71 s GLY 18 CO 0.00 -0.57 -0.10 1.25 0.00 0.00 0.00 173.10 173.68 1y71 s LYS 19 N -4.53 1.17 0.08 2.90 2.20 -0.32 -0.94 119.74 120.30 1y71 s LYS 19 Ca 0.44 -0.34 0.03 0.00 -0.36 0.00 0.00 55.97 55.74 1y71 s LYS 19 Cb -0.10 -1.06 -0.04 0.00 -1.51 0.00 0.00 37.83 35.13 1y71 s LYS 19 CO 0.41 0.09 -0.08 0.71 -0.36 0.00 0.00 175.35 176.12 1y71 s TYR 20 N 0.33 0.92 -0.13 4.03 2.02 -0.25 0.11 117.35 124.38 1y71 s TYR 20 Ca -0.06 -0.70 -0.06 0.00 -0.37 0.00 0.00 57.07 55.88 1y71 s TYR 20 Cb -0.11 -0.52 -0.04 0.00 -0.40 0.00 0.00 41.96 40.89 1y71 s TYR 20 CO 0.01 -0.07 0.08 0.42 -1.57 0.00 0.00 175.55 174.43 1y71 s ILE 21 N -2.57 5.00 0.00 2.71 1.01 0.25 -1.42 121.20 126.18 1y71 s ILE 21 Ca 0.04 0.02 0.00 0.00 0.00 0.00 0.00 60.65 60.71 1y71 s ILE 21 Cb -0.02 -3.18 0.00 0.00 0.01 0.00 0.00 42.46 39.27 1y71 s ILE 21 CO -0.01 0.57 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1y71 n GLY 22 N 2.48 2.62 2.87 6.18 0.00 -0.01 -0.52 105.19 118.80 1y71 n GLY 22 Ca -0.19 -0.92 -0.20 0.00 0.00 0.00 0.00 46.02 44.71 1y71 n GLY 22 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1y71 s GLU 23 N -0.50 0.78 0.05 1.61 2.12 -0.34 -0.64 118.70 121.78 1y71 s GLU 23 Ca 0.00 -0.07 -0.31 0.00 0.36 0.00 0.00 54.97 54.95 1y71 s GLU 23 Cb 0.00 -0.85 -0.08 0.00 0.26 0.00 0.00 34.13 33.47 1y71 s GLU 23 CO 0.00 -0.12 1.64 0.08 -0.54 0.00 0.00 175.26 176.32 1y71 s VAL 24 N 1.07 3.14 -0.04 3.70 1.01 -0.29 -0.63 120.40 128.36 1y71 s VAL 24 Ca -0.09 0.55 0.05 0.00 0.00 0.00 0.00 61.98 62.49 1y71 s VAL 24 Cb -0.14 -3.35 -0.07 0.00 0.00 0.00 0.00 36.38 32.81 1y71 s VAL 24 CO -0.01 -0.01 0.12 0.35 0.00 0.00 0.00 175.10 175.56 1y71 n THR 25 N 4.79 0.00 -3.65 3.92 -2.24 -0.31 -0.01 114.28 116.79 1y71 n THR 25 Ca 0.16 -0.16 -0.10 0.00 -2.27 0.00 0.00 64.05 61.68 1y71 n THR 25 Cb 0.41 0.49 -0.04 0.00 -2.10 0.00 0.00 70.33 69.09 1y71 n THR 25 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1y71 s ASN 26 N -2.38 -0.28 -0.06 3.42 2.47 -1.21 -4.92 114.94 111.99 1y71 s ASN 26 Ca -0.01 -0.34 -0.05 0.00 0.42 0.00 0.00 52.86 52.88 1y71 s ASN 26 Cb 0.03 0.52 0.02 0.00 -1.45 0.00 0.00 41.25 40.37 1y71 s ASN 26 CO 0.20 -0.93 0.15 -0.55 -3.72 0.00 0.00 177.10 172.25 1y71 s SER 27 N -2.82 -0.15 0.10 -4.21 0.15 -1.26 -1.52 113.70 103.99 1y71 s SER 27 Ca 0.05 0.31 -0.10 0.00 0.70 0.00 0.00 55.95 56.91 1y71 s SER 27 Cb 0.01 0.28 0.00 0.00 -1.71 0.00 0.00 66.02 64.60 1y71 s SER 27 CO -0.09 -0.08 0.22 0.00 1.20 0.00 0.00 173.24 174.50 1y71 s ARG 28 N 0.38 0.89 -0.29 5.44 1.70 -1.00 -5.01 118.95 121.06 1y71 s ARG 28 Ca -0.02 -0.93 -0.43 0.00 -0.47 0.00 0.00 55.73 53.88 1y71 s ARG 28 Cb -0.04 0.36 -0.19 0.00 -0.57 0.00 0.00 34.95 34.52 1y71 s ARG 28 CO -0.02 -0.30 1.48 -0.35 -1.08 0.00 0.00 175.30 175.04 1y71 n PRO 29 N -0.09 0.34 -0.99 3.89 -0.04 -1.26 -1.36 135.00 135.48 1y71 n PRO 29 Ca -0.15 0.12 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1y71 n PRO 29 Cb 0.63 -1.67 0.00 0.00 -0.04 0.00 0.00 33.50 32.41 1y71 n PRO 29 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1y71 n GLY 30 N 3.32 0.36 3.43 0.55 0.00 -1.26 -4.98 105.19 106.61 1y71 n GLY 30 Ca 0.26 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.14 1y71 n GLY 30 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1y71 s SER 31 N -2.04 -0.52 -0.00 1.61 0.15 -0.47 -1.73 113.70 110.70 1y71 s SER 31 Ca 0.00 0.25 0.04 0.00 0.70 0.00 0.00 55.95 56.94 1y71 s SER 31 Cb 0.00 0.53 -0.01 0.00 -1.71 0.00 0.00 66.02 64.83 1y71 s SER 31 CO 0.00 -0.75 -0.12 -0.31 1.20 0.00 0.00 173.24 173.25 1y71 s TYR 32 N -2.49 1.10 -0.18 3.44 2.02 0.03 -2.36 117.35 118.91 1y71 s TYR 32 Ca -0.05 -0.23 -0.27 0.00 -0.37 0.00 0.00 57.07 56.16 1y71 s TYR 32 Cb -0.01 -0.70 -0.01 0.00 -0.40 0.00 0.00 41.96 40.85 1y71 s TYR 32 CO -0.02 -0.01 0.90 0.08 -1.57 0.00 0.00 175.55 174.93 1y71 s VAL 33 N -0.38 4.82 -0.11 0.71 1.01 -0.57 0.08 120.40 125.96 1y71 s VAL 33 Ca 0.04 1.77 0.04 0.00 0.00 0.00 0.00 61.98 63.83 1y71 s VAL 33 Cb -0.05 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.13 1y71 s VAL 33 CO -0.00 -0.03 -0.23 -0.69 0.00 0.00 0.00 175.10 174.15 1y71 s VAL 34 N 2.44 2.15 -0.26 2.92 1.01 0.17 -1.16 120.40 127.66 1y71 s VAL 34 Ca 0.41 -0.99 -0.18 0.00 0.00 0.00 0.00 61.98 61.22 1y71 s VAL 34 Cb -0.16 -1.83 -0.02 0.00 0.00 0.00 0.00 36.38 34.37 1y71 s VAL 34 CO 0.11 0.56 0.54 -0.75 0.00 0.00 0.00 175.10 175.56 1y71 s LYS 35 N 0.38 4.06 -0.00 2.72 2.20 0.20 0.07 119.74 129.38 1y71 s LYS 35 Ca -0.17 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.50 1y71 s LYS 35 Cb -0.18 -3.66 -0.05 0.00 -1.51 0.00 0.00 37.83 32.44 1y71 s LYS 35 CO 0.08 -0.38 1.23 0.08 -0.36 0.00 0.00 175.35 176.00 1y71 s VAL 36 N 2.36 4.08 -0.04 4.02 1.01 0.04 -1.20 120.40 130.68 1y71 s VAL 36 Ca 0.22 1.46 0.06 0.00 0.00 0.00 0.00 61.98 63.72 1y71 s VAL 36 Cb -0.16 -3.94 -0.09 0.00 0.00 0.00 0.00 36.38 32.20 1y71 s VAL 36 CO 0.09 0.04 0.07 0.18 0.00 0.00 0.00 175.10 175.49 1y71 n LEU 37 N 4.72 0.00 -3.45 3.92 4.77 0.32 -0.11 117.00 127.16 1y71 n LEU 37 Ca 0.10 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.97 1y71 n LEU 37 Cb 0.46 0.09 -0.02 0.00 -2.33 0.00 0.00 43.42 41.62 1y71 n LEU 37 CO 0.56 0.09 0.49 0.00 -1.33 0.00 0.00 177.39 177.20 1y71 s ALA 38 N -2.28 -1.68 -0.19 -1.18 0.00 -0.70 -3.89 121.76 111.84 1y71 s ALA 38 Ca -0.03 0.70 -0.06 0.00 0.00 0.00 0.00 51.96 52.57 1y71 s ALA 38 Cb 0.03 0.68 -0.03 0.00 0.00 0.00 0.00 23.12 23.80 1y71 s ALA 38 CO 0.27 -0.72 0.02 0.08 0.00 0.00 0.00 175.76 175.41 1y71 s VAL 39 N -3.40 4.25 -0.18 0.00 1.01 -1.26 -0.58 120.40 120.24 1y71 s VAL 39 Ca 0.02 -0.22 0.03 0.00 0.00 0.00 0.00 61.98 61.81 1y71 s VAL 39 Cb -0.01 -2.92 -0.22 0.00 0.00 0.00 0.00 36.38 33.23 1y71 s VAL 39 CO -0.11 0.43 0.12 0.18 0.00 0.00 0.00 175.10 175.73 1y71 n LEU 40 N 4.02 2.18 -3.71 3.92 4.77 0.12 -4.45 117.00 123.83 1y71 n LEU 40 Ca -0.17 0.07 -0.16 0.00 -0.03 0.00 0.00 56.01 55.72 1y71 n LEU 40 Cb 0.52 -0.64 -0.16 0.00 -2.33 0.00 0.00 43.42 40.81 1y71 n LEU 40 CO 0.33 0.78 -0.27 -0.75 -1.33 0.00 0.00 177.39 176.15 1y71 s LYS 41 N -2.54 0.02 0.24 3.23 2.20 -0.54 -4.79 119.74 117.55 1y71 s LYS 41 Ca -0.23 0.40 -0.30 0.00 -0.36 0.00 0.00 55.97 55.48 1y71 s LYS 41 Cb 0.08 -0.28 -0.09 0.00 -1.51 0.00 0.00 37.83 36.03 1y71 s LYS 41 CO 0.72 -0.24 1.20 -1.58 -0.36 0.00 0.00 175.35 175.09 1y71 s HIS 42 N 1.68 3.39 0.75 4.03 5.65 -1.26 -1.18 115.29 128.35 1y71 s HIS 42 Ca -0.03 1.48 -0.15 0.00 0.25 0.00 0.00 55.06 56.62 1y71 s HIS 42 Cb -0.12 -3.45 0.05 0.00 -1.18 0.00 0.00 32.58 27.88 1y71 s HIS 42 CO -0.05 -1.19 1.21 -1.25 -0.65 0.00 0.00 174.74 172.81 1y71 s PRO 43 N -0.84 2.01 0.57 2.88 0.04 -1.26 -4.70 135.00 133.70 1y71 s PRO 43 Ca 0.50 1.78 -0.19 0.00 0.04 0.00 0.00 61.00 63.13 1y71 s PRO 43 Cb -0.34 -1.82 -0.04 0.00 0.04 0.00 0.00 34.50 32.34 1y71 s PRO 43 CO 0.41 -1.94 1.19 0.08 0.04 0.00 0.00 177.00 176.79 1y71 s VAL 44 N -1.99 2.75 0.38 -0.36 1.01 -1.26 -4.94 120.40 115.99 1y71 s VAL 44 Ca 0.75 0.47 0.05 0.00 0.00 0.00 0.00 61.98 63.24 1y71 s VAL 44 Cb -0.30 -3.19 -0.00 0.00 0.00 0.00 0.00 36.38 32.89 1y71 s VAL 44 CO 0.47 -0.09 0.55 -1.10 0.00 0.00 0.00 175.10 174.92 1y71 s GLN 45 N -3.28 3.05 0.00 2.72 -1.52 -1.26 -4.81 119.66 114.56 1y71 s GLN 45 Ca 0.76 -0.87 0.00 0.00 -1.95 0.00 0.00 55.36 53.29 1y71 s GLN 45 Cb -0.29 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.77 1y71 s GLN 45 CO 0.32 -0.09 0.00 -1.91 -0.25 0.00 0.00 175.29 173.36 1y71 n GLU 61 N -1.81 0.00 -3.74 2.91 2.13 -1.26 -5.05 120.64 113.82 1y71 n GLU 61 Ca 0.01 0.00 -0.37 0.00 0.66 0.00 0.00 57.16 57.46 1y71 n GLU 61 Cb 0.58 0.00 -0.11 0.00 0.27 0.00 0.00 31.44 32.18 1y71 n GLU 61 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1y71 s ARG 62 N 0.00 2.08 0.19 5.31 3.52 -1.26 -5.09 118.95 123.69 1y71 s ARG 62 Ca 0.00 -1.82 -0.17 0.00 -0.13 0.00 0.00 55.73 53.62 1y71 s ARG 62 Cb 0.00 -3.64 -0.08 0.00 -1.56 0.00 0.00 34.95 29.67 1y71 s ARG 62 CO 0.00 -1.09 0.63 1.03 -0.81 0.00 0.00 175.30 175.06 1y71 s ARG 63 N 1.17 4.10 0.58 5.12 0.52 -1.26 -4.75 118.95 124.42 1y71 s ARG 63 Ca 0.08 0.66 -0.20 0.00 -0.52 0.00 0.00 55.73 55.74 1y71 s ARG 63 Cb -0.23 -2.89 -0.04 0.00 0.52 0.00 0.00 34.95 32.31 1y71 s ARG 63 CO -0.04 0.43 1.31 0.00 0.02 0.00 0.00 175.30 177.02 1y71 n ALA 64 N 0.71 1.34 -1.66 2.13 0.00 -1.26 -4.91 120.51 116.87 1y71 n ALA 64 Ca -0.04 0.08 -0.42 0.00 0.00 0.00 0.00 53.44 53.07 1y71 n ALA 64 Cb 0.52 -2.33 0.00 0.00 0.00 0.00 0.00 19.45 17.64 1y71 n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1y71 n LEU 65 N -1.25 3.15 -4.85 0.00 4.77 -1.26 -4.99 117.00 112.57 1y71 n LEU 65 Ca 0.12 1.12 -0.32 0.00 -0.03 0.00 0.00 56.01 56.91 1y71 n LEU 65 Cb 0.46 -1.42 -0.01 0.00 -2.33 0.00 0.00 43.42 40.11 1y71 n LEU 65 CO 0.51 -0.97 0.70 0.00 -1.33 0.00 0.00 177.39 176.30 1y71 s ALA 66 N -1.18 3.05 0.18 -1.18 0.00 -1.26 -4.96 121.76 116.41 1y71 s ALA 66 Ca 0.60 0.09 -0.32 0.00 0.00 0.00 0.00 51.96 52.33 1y71 s ALA 66 Cb -0.57 -3.11 -0.11 0.00 0.00 0.00 0.00 23.12 19.33 1y71 s ALA 66 CO 0.59 -0.47 1.72 0.12 0.00 0.00 0.00 175.76 177.72 1y71 s PHE 67 N -2.84 2.77 0.00 0.00 5.36 -1.26 -0.75 117.98 121.26 1y71 s PHE 67 Ca 0.58 0.30 0.00 0.00 -0.96 0.00 0.00 56.93 56.85 1y71 s PHE 67 Cb -0.11 -4.12 0.00 0.00 -0.34 0.00 0.00 43.02 38.45 1y71 s PHE 67 CO 0.41 -4.31 0.00 0.54 -1.46 0.00 0.00 175.22 170.40 1y71 n ARG 68 N 4.35 -0.13 -2.16 10.12 1.74 0.84 -4.99 116.66 126.43 1y71 n ARG 68 Ca 0.16 0.03 -0.41 0.00 -0.77 0.00 0.00 57.85 56.86 1y71 n ARG 68 Cb 0.36 -3.04 -0.03 0.00 -1.02 0.00 0.00 32.46 28.73 1y71 n ARG 68 CO 0.00 0.00 0.00 -2.00 -1.52 0.00 0.00 177.63 174.11 1y71 s GLU 69 N -0.25 4.38 -0.20 5.56 2.12 0.07 -4.58 118.70 125.80 1y71 s GLU 69 Ca 0.00 2.14 -0.07 0.00 0.36 0.00 0.00 54.97 57.41 1y71 s GLU 69 Cb 0.00 -3.12 -0.03 0.00 0.26 0.00 0.00 34.13 31.23 1y71 s GLU 69 CO 0.00 -0.20 0.05 -0.65 -0.54 0.00 0.00 175.26 173.92 1y71 s GLN 70 N -1.12 3.82 -0.02 4.30 -0.21 -1.26 -0.78 119.66 124.39 1y71 s GLN 70 Ca 0.52 -0.42 0.03 0.00 0.02 0.00 0.00 55.36 55.51 1y71 s GLN 70 Cb -0.38 -3.20 -0.00 0.00 1.00 0.00 0.00 33.01 30.42 1y71 s GLN 70 CO 0.46 0.11 -0.11 0.99 -2.12 0.00 0.00 175.29 174.62 1y71 s THR 71 N 0.80 0.92 -0.22 -0.19 2.01 0.11 -4.91 115.64 114.16 1y71 s THR 71 Ca 0.03 -0.47 -0.26 0.00 0.31 0.00 0.00 61.69 61.29 1y71 s THR 71 Cb -0.14 -0.79 -0.00 0.00 0.01 0.00 0.00 72.50 71.58 1y71 s THR 71 CO 0.02 0.27 0.91 0.21 -0.69 0.00 0.00 174.62 175.34 1y71 s ASN 72 N -0.09 6.95 -0.08 3.53 3.84 -1.26 0.43 114.94 128.27 1y71 s ASN 72 Ca 0.01 1.19 0.03 0.00 0.21 0.00 0.00 52.86 54.30 1y71 s ASN 72 Cb -0.07 -2.48 0.01 0.00 -0.55 0.00 0.00 41.25 38.16 1y71 s ASN 72 CO 0.00 -0.55 -0.17 -0.63 -2.79 0.00 0.00 177.10 172.96 1y71 s ILE 73 N 2.85 1.49 0.22 -5.21 1.01 0.11 -4.96 121.20 116.72 1y71 s ILE 73 Ca 0.39 -0.69 -0.32 0.00 0.00 0.00 0.00 60.65 60.03 1y71 s ILE 73 Cb -0.15 -1.32 -0.13 0.00 0.01 0.00 0.00 42.46 40.86 1y71 s ILE 73 CO 0.08 0.43 1.46 -2.65 0.00 0.00 0.00 174.94 174.26 1y71 n PRO 74 N 3.66 2.09 -0.34 2.79 -0.02 -1.26 -0.79 135.00 141.13 1y71 n PRO 74 Ca -0.21 0.75 0.25 0.00 -2.02 0.00 0.00 63.50 62.27 1y71 n PRO 74 Cb 0.52 -2.44 0.54 0.00 -0.02 0.00 0.00 33.50 32.11 1y71 n PRO 74 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1y71 h GLU 75 N 4.66 0.31 -1.91 -0.52 4.81 -1.64 -3.19 114.58 117.11 1y71 h GLU 75 Ca -0.45 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1y71 h GLU 75 Cb 1.27 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.58 1y71 h GLU 75 CO 0.79 0.21 0.00 1.04 -0.73 0.00 0.00 179.01 180.32 1y71 n GLN 76 N -4.61 0.09 -0.82 1.92 3.00 -1.26 -4.77 117.38 110.93 1y71 n GLN 76 Ca 0.27 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.26 1y71 n GLN 76 Cb 0.98 -1.45 0.00 0.00 0.00 0.00 0.00 30.24 29.76 1y71 n GLN 76 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1y71 n VAL 78 N 0.97 0.00 -4.28 5.09 0.31 -1.21 -5.08 118.33 114.14 1y71 n VAL 78 Ca 0.00 0.00 -0.17 0.00 -0.01 0.00 0.00 64.34 64.16 1y71 n VAL 78 Cb 0.05 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 32.83 1y71 n VAL 78 CO 0.00 0.00 0.00 -0.75 -1.32 0.00 0.00 176.83 174.76 1y71 s LYS 79 N -0.57 0.63 0.26 5.55 2.20 -0.17 -4.98 119.74 122.66 1y71 s LYS 79 Ca 0.00 -0.34 -0.30 0.00 -0.36 0.00 0.00 55.97 54.98 1y71 s LYS 79 Cb 0.00 -0.60 -0.14 0.00 -1.51 0.00 0.00 37.83 35.58 1y71 s LYS 79 CO 0.00 0.16 1.16 1.17 -0.36 0.00 0.00 175.35 177.48 1y71 n LYS 80 N 2.73 1.56 -4.83 4.03 4.81 -1.26 -0.22 118.16 124.98 1y71 n LYS 80 Ca -0.14 0.55 -0.30 0.00 -0.87 0.00 0.00 58.31 57.55 1y71 n LYS 80 Cb 0.57 -2.04 -0.17 0.00 0.02 0.00 0.00 35.03 33.42 1y71 n LYS 80 CO 0.00 0.00 0.00 -0.47 1.17 0.00 0.00 177.40 178.10 1y71 s TYR 81 N -0.67 2.27 -0.35 5.64 5.04 -0.27 -4.57 117.35 124.45 1y71 s TYR 81 Ca 0.63 -1.00 0.04 0.00 -2.44 0.00 0.00 57.07 54.29 1y71 s TYR 81 Cb -0.70 -1.56 0.08 0.00 0.35 0.00 0.00 41.96 40.12 1y71 s TYR 81 CO 0.56 -0.45 0.95 0.39 -1.34 0.00 0.00 175.55 175.66 1y71 n GLU 82 N 3.84 1.97 -1.33 4.97 1.02 -1.26 -4.57 120.64 125.27 1y71 n GLU 82 Ca -0.20 -1.40 -0.17 0.00 -0.02 0.00 0.00 57.16 55.37 1y71 n GLU 82 Cb 0.52 -1.08 0.11 0.00 -0.02 0.00 0.00 31.44 30.97 1y71 n GLU 82 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1y71 n GLY 83 N -0.06 -0.86 3.79 0.62 0.00 -1.26 -5.04 105.19 102.37 1y71 n GLY 83 Ca 0.03 -1.77 -0.34 0.00 0.00 0.00 0.00 46.02 43.95 1y71 n GLY 83 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1y71 s GLU 84 N -4.61 3.42 -0.36 1.61 2.02 -1.26 -5.00 118.70 114.52 1y71 s GLU 84 Ca 0.45 1.39 -0.21 0.00 0.02 0.00 0.00 54.97 56.61 1y71 s GLU 84 Cb -0.01 -2.04 0.01 0.00 0.10 0.00 0.00 34.13 32.18 1y71 s GLU 84 CO 0.31 -0.75 0.68 0.42 0.02 0.00 0.00 175.26 175.95 1y71 s ILE 85 N -2.10 4.84 0.69 -1.63 1.01 -1.26 -5.05 121.20 117.70 1y71 s ILE 85 Ca 0.68 0.67 -0.11 0.00 0.00 0.00 0.00 60.65 61.89 1y71 s ILE 85 Cb -0.19 -4.12 0.01 0.00 0.01 0.00 0.00 42.46 38.17 1y71 s ILE 85 CO 0.29 -0.36 1.06 -2.16 0.00 0.00 0.00 174.94 173.77 1y71 s PRO 86 N 2.84 2.93 0.24 2.79 0.04 -1.26 -4.97 135.00 137.61 1y71 s PRO 86 Ca 0.27 1.00 -0.31 0.00 0.04 0.00 0.00 61.00 61.99 1y71 s PRO 86 Cb -0.14 -1.99 -0.12 0.00 0.04 0.00 0.00 34.50 32.29 1y71 s PRO 86 CO 0.16 -1.11 1.69 -3.47 0.04 0.00 0.00 177.00 174.30 1y71 n ASP 87 N -3.04 3.98 -0.01 6.66 -0.08 -1.26 -4.68 116.55 118.12 1y71 n ASP 87 Ca 0.08 1.09 -0.09 0.00 -1.51 0.00 0.00 54.79 54.35 1y71 n ASP 87 Cb 0.53 -1.59 -0.03 0.00 2.34 0.00 0.00 41.12 42.38 1y71 n ASP 87 CO 0.00 0.00 0.00 0.22 0.12 0.00 0.00 177.20 177.54 1y71 h TYR 88 N 6.12 -0.62 -0.34 -0.67 3.20 -1.94 0.13 116.97 122.84 1y71 h TYR 88 Ca -0.44 0.03 -0.06 0.00 3.14 0.00 0.00 58.73 61.40 1y71 h TYR 88 Cb 1.21 0.30 -0.01 0.00 1.54 0.00 0.00 36.73 39.76 1y71 h TYR 88 CO 0.62 -0.31 -0.00 1.15 -1.64 0.00 0.00 178.16 177.97 1y71 h THR 89 N -0.29 1.26 -0.77 1.81 2.02 -1.91 -0.00 112.91 115.03 1y71 h THR 89 Ca 0.11 -0.98 0.11 0.00 0.77 0.00 0.00 66.41 66.42 1y71 h THR 89 Cb 0.45 1.21 -0.08 0.00 -1.74 0.00 0.00 68.15 67.99 1y71 h THR 89 CO -0.31 0.32 0.39 -0.33 0.37 0.00 0.00 175.52 175.96 1y71 h GLU 90 N 0.42 0.61 -0.44 6.66 5.08 -1.89 -0.91 114.58 124.11 1y71 h GLU 90 Ca 0.10 -0.04 -0.13 0.00 -1.00 0.00 0.00 59.36 58.29 1y71 h GLU 90 Cb 0.46 -0.14 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1y71 h GLU 90 CO 0.02 0.41 -0.25 0.66 -1.00 0.00 0.00 179.01 178.84 1y71 h SER 91 N 0.63 0.96 -0.39 1.42 4.64 -0.26 -1.04 113.55 119.51 1y71 h SER 91 Ca 0.39 -0.38 -0.03 0.00 -0.47 0.00 0.00 61.79 61.30 1y71 h SER 91 Cb 0.46 -0.27 -0.02 0.00 -0.31 0.00 0.00 62.40 62.26 1y71 h SER 91 CO -0.30 1.16 0.11 0.25 -0.87 0.00 0.00 176.83 177.18 1y71 h LEU 92 N 0.80 0.58 -0.17 5.97 5.85 -0.78 -0.13 115.31 127.43 1y71 h LEU 92 Ca 0.10 -0.22 0.01 0.00 0.84 0.00 0.00 57.88 58.62 1y71 h LEU 92 Cb 0.82 -0.15 -0.02 0.00 0.37 0.00 0.00 40.66 41.68 1y71 h LEU 92 CO 0.07 0.65 0.07 0.50 -0.34 0.00 0.00 178.44 179.39 1y71 h LYS 93 N 0.49 0.15 -0.27 1.25 3.64 -1.03 -0.98 116.57 119.82 1y71 h LYS 93 Ca 0.13 -0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.51 1y71 h LYS 93 Cb 0.28 -0.03 -0.02 0.00 -0.41 0.00 0.00 32.23 32.04 1y71 h LYS 93 CO -0.00 0.10 0.15 1.25 -2.27 0.00 0.00 179.45 178.68 1y71 h LEU 94 N 0.16 0.24 -0.71 5.20 5.85 -1.09 -1.53 115.31 123.42 1y71 h LEU 94 Ca 0.07 0.01 -0.05 0.00 0.84 0.00 0.00 57.88 58.75 1y71 h LEU 94 Cb 0.03 -0.04 -0.03 0.00 0.37 0.00 0.00 40.66 40.99 1y71 h LEU 94 CO -0.06 0.18 0.26 0.00 -0.34 0.00 0.00 178.44 178.48 1y71 h ALA 95 N 1.13 0.92 -0.14 1.25 0.00 -0.79 0.57 119.26 122.19 1y71 h ALA 95 Ca 0.11 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.82 1y71 h ALA 95 Cb 0.01 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1y71 h ALA 95 CO -0.06 0.56 0.06 1.25 0.00 0.00 0.00 179.25 181.07 1y71 h LEU 96 N 1.02 0.19 -0.52 0.00 5.85 -1.12 -1.90 115.31 118.83 1y71 h LEU 96 Ca 0.23 -0.14 0.07 0.00 0.84 0.00 0.00 57.88 58.88 1y71 h LEU 96 Cb 0.24 -0.05 -0.06 0.00 0.37 0.00 0.00 40.66 41.16 1y71 h LEU 96 CO -0.02 0.28 0.20 -0.33 -0.34 0.00 0.00 178.44 178.23 1y71 h GLU 97 N 0.08 0.37 -0.33 1.25 5.08 -0.84 -2.75 114.58 117.44 1y71 h GLU 97 Ca 0.05 -0.02 0.02 0.00 -1.00 0.00 0.00 59.36 58.41 1y71 h GLU 97 Cb 0.15 -0.08 -0.03 0.00 0.50 0.00 0.00 28.75 29.29 1y71 h GLU 97 CO -0.00 0.24 0.17 1.15 -1.00 0.00 0.00 179.01 179.57 1y71 h THR 98 N 0.38 1.00 0.00 1.13 2.02 -0.80 0.78 112.91 117.41 1y71 h THR 98 Ca 0.25 -0.12 0.00 0.00 0.77 0.00 0.00 66.41 67.31 1y71 h THR 98 Cb 0.26 0.62 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 1y71 h THR 98 CO -0.25 0.06 0.00 1.67 0.37 0.00 0.00 175.52 177.38 1y71 n GLN 99 N -4.94 0.25 0.00 6.66 7.27 -0.72 -1.70 117.38 124.20 1y71 n GLN 99 Ca -0.00 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.07 1y71 n GLN 99 Cb 0.07 -1.24 0.00 0.00 2.41 0.00 0.00 30.24 31.48 1y71 n GLN 99 CO 0.00 0.00 0.00 0.09 0.07 0.00 0.00 177.06 177.22 1y71 n ASN 101 N 0.60 0.00 0.26 1.69 3.02 0.27 -3.86 115.26 117.24 1y71 n ASN 101 Ca 0.00 0.00 0.17 0.00 -0.03 0.00 0.00 54.58 54.72 1y71 n ASN 101 Cb 0.09 0.00 0.84 0.00 -0.61 0.00 0.00 39.78 40.10 1y71 n ASN 101 CO 0.00 0.00 0.00 0.77 -2.62 0.00 0.00 177.26 175.41 1y71 h SER 102 N 0.00 0.00 -0.40 6.41 4.64 -1.57 -2.33 113.55 120.30 1y71 h SER 102 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1y71 h SER 102 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1y71 h SER 102 CO 0.00 0.00 0.00 0.49 -0.87 0.00 0.00 176.83 176.45 1y71 n PHE 103 N -2.79 0.53 -1.69 4.77 3.72 -1.25 -4.91 117.46 115.84 1y71 n PHE 103 Ca -0.01 -0.26 -0.43 0.00 -0.05 0.00 0.00 57.45 56.69 1y71 n PHE 103 Cb 0.15 0.00 -0.01 0.00 -0.94 0.00 0.00 39.48 38.68 1y71 n PHE 103 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 176.76 177.16 1y71 n SER 104 N 0.75 2.73 0.00 4.37 2.88 -0.88 -1.37 113.62 122.10 1y71 n SER 104 Ca 0.15 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.87 1y71 n SER 104 Cb 0.37 -1.46 0.00 0.00 -0.75 0.00 0.00 64.21 62.37 1y71 n SER 104 CO 0.00 0.00 0.00 -0.62 -1.23 0.00 0.00 175.04 173.19 1y71 n GLU 105 N 1.11 -0.23 -3.23 -1.46 1.02 -1.26 -4.94 120.64 111.65 1y71 n GLU 105 Ca 0.07 0.06 -0.43 0.00 -0.02 0.00 0.00 57.16 56.83 1y71 n GLU 105 Cb 0.34 -4.28 -0.07 0.00 -0.02 0.00 0.00 31.44 27.41 1y71 n GLU 105 CO 0.00 0.00 0.00 0.34 1.18 0.00 0.00 177.13 178.65 1y71 s ASP 106 N -2.13 6.22 -0.18 1.62 -1.08 -0.47 -4.92 116.67 115.73 1y71 s ASP 106 Ca 0.00 -0.82 0.14 0.00 -0.52 0.00 0.00 52.55 51.35 1y71 s ASP 106 Cb 0.00 -2.26 0.72 0.00 -1.46 0.00 0.00 42.92 39.92 1y71 s ASP 106 CO 0.00 -0.75 1.61 -0.90 0.52 0.00 0.00 175.17 175.65 1y71 n ASP 107 N 5.89 5.05 -4.84 -0.34 5.68 -1.26 -4.76 116.55 121.97 1y71 n ASP 107 Ca -0.07 -2.72 -0.32 0.00 -0.50 0.00 0.00 54.79 51.18 1y71 n ASP 107 Cb 0.46 -0.64 -0.01 0.00 -1.14 0.00 0.00 41.12 39.79 1y71 n ASP 107 CO 0.00 0.00 0.00 -0.94 -1.33 0.00 0.00 177.20 174.93 1y71 s SER 108 N -0.75 6.30 0.38 -1.12 1.04 -1.26 -4.92 113.70 113.38 1y71 s SER 108 Ca 0.49 1.58 0.06 0.00 0.48 0.00 0.00 55.95 58.55 1y71 s SER 108 Cb 0.36 -2.50 0.77 0.00 0.10 0.00 0.00 66.02 64.75 1y71 s SER 108 CO 0.17 -0.81 2.02 -0.65 0.98 0.00 0.00 173.24 174.95 1y71 h PRO 109 N 0.42 0.66 -0.30 4.02 0.11 -2.00 -2.08 132.00 132.84 1y71 h PRO 109 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1y71 h PRO 109 Cb 1.19 -0.15 -0.01 0.00 0.11 0.00 0.00 31.00 32.14 1y71 h PRO 109 CO 0.61 0.44 0.19 0.35 -0.21 0.00 0.00 178.00 179.37 1y71 h PHE 110 N 0.68 0.38 -0.53 0.65 3.57 -1.98 -0.22 116.94 119.49 1y71 h PHE 110 Ca 0.21 0.00 0.09 0.00 3.53 0.00 0.00 57.97 61.81 1y71 h PHE 110 Cb 0.01 -0.13 -0.07 0.00 2.79 0.00 0.00 35.95 38.56 1y71 h PHE 110 CO -0.00 0.26 0.13 0.00 -2.23 0.00 0.00 178.31 176.47 1y71 h ALA 111 N 1.09 0.62 -0.17 2.41 0.00 -1.84 -0.50 119.26 120.87 1y71 h ALA 111 Ca 0.11 0.10 -0.00 0.00 0.00 0.00 0.00 54.91 55.12 1y71 h ALA 111 Cb -0.02 0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.89 1y71 h ALA 111 CO -0.02 -0.28 0.09 1.49 0.00 0.00 0.00 179.25 180.53 1y71 h GLU 112 N 0.27 0.24 -0.34 0.00 4.22 -0.76 0.78 114.58 119.00 1y71 h GLU 112 Ca 0.27 -0.03 -0.03 0.00 0.08 0.00 0.00 59.36 59.65 1y71 h GLU 112 Cb 0.36 -0.05 -0.01 0.00 0.50 0.00 0.00 28.75 29.55 1y71 h GLU 112 CO -0.33 0.25 0.08 -0.09 -2.18 0.00 0.00 179.01 176.74 1y71 h ARG 113 N 0.17 0.55 -0.32 1.92 1.12 -0.94 -1.48 114.38 115.40 1y71 h ARG 113 Ca 0.06 -0.13 0.03 0.00 -1.11 0.00 0.00 59.98 58.82 1y71 h ARG 113 Cb 0.08 -0.07 -0.03 0.00 -0.01 0.00 0.00 29.97 29.94 1y71 h ARG 113 CO -0.01 0.60 0.14 0.77 -3.11 0.00 0.00 179.97 178.37 1y71 h SER 114 N 0.40 0.20 -0.76 -3.80 0.02 -0.94 -1.24 113.55 107.43 1y71 h SER 114 Ca 0.11 0.02 -0.05 0.00 -0.84 0.00 0.00 61.79 61.03 1y71 h SER 114 Cb 0.30 -0.02 -0.03 0.00 0.14 0.00 0.00 62.40 62.79 1y71 h SER 114 CO 0.00 0.15 0.30 -0.07 -1.14 0.00 0.00 176.83 176.07 1y71 h LEU 115 N 0.31 1.07 0.07 5.07 3.38 -0.64 0.45 115.31 125.02 1y71 h LEU 115 Ca 0.14 -0.17 -0.00 0.00 0.09 0.00 0.00 57.88 57.93 1y71 h LEU 115 Cb 0.07 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 40.54 1y71 h LEU 115 CO -0.11 0.96 -0.03 -0.33 0.09 0.00 0.00 178.44 179.01 1y71 h GLU 116 N 1.13 -0.09 -0.72 1.13 5.08 -1.01 -1.07 114.58 119.03 1y71 h GLU 116 Ca 0.26 0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.64 1y71 h GLU 116 Cb 0.23 0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.46 1y71 h GLU 116 CO -0.02 -0.01 0.46 1.15 -1.00 0.00 0.00 179.01 179.60 1y71 h THR 117 N -0.15 1.13 -0.55 1.13 2.02 -0.84 -1.81 112.91 113.84 1y71 h THR 117 Ca -0.01 -0.32 -0.09 0.00 0.77 0.00 0.00 66.41 66.76 1y71 h THR 117 Cb 0.12 0.13 -0.02 0.00 -1.74 0.00 0.00 68.15 66.65 1y71 h THR 117 CO 0.02 0.17 -0.02 -0.07 0.37 0.00 0.00 175.52 175.99 1y71 h LEU 118 N 0.92 0.94 -0.95 2.58 3.38 -0.81 -0.24 115.31 121.13 1y71 h LEU 118 Ca 0.28 -0.26 -0.07 0.00 0.09 0.00 0.00 57.88 57.92 1y71 h LEU 118 Cb -0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.45 1y71 h LEU 118 CO -0.09 1.00 -0.03 1.56 0.09 0.00 0.00 178.44 180.98 1y71 h GLN 119 N 0.88 0.73 0.08 1.13 4.20 -0.86 0.34 115.11 121.61 1y71 h GLN 119 Ca 0.16 -0.20 -0.00 0.00 0.06 0.00 0.00 58.65 58.66 1y71 h GLN 119 Cb 0.54 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.24 1y71 h GLN 119 CO 0.03 0.76 -0.04 0.37 -0.67 0.00 0.00 178.83 179.29 1y71 h GLN 120 N 0.68 -0.10 -1.00 1.46 5.75 -1.08 -3.07 115.11 117.75 1y71 h GLN 120 Ca 0.13 0.01 0.29 0.00 -0.15 0.00 0.00 58.65 58.93 1y71 h GLN 120 Cb 0.46 0.02 -0.14 0.00 1.07 0.00 0.00 27.48 28.90 1y71 h GLN 120 CO 0.02 0.29 0.58 -0.07 -2.65 0.00 0.00 178.83 177.00 1y71 h LEU 121 N -0.51 0.59 -0.87 -2.39 4.07 -0.76 0.13 115.31 115.57 1y71 h LEU 121 Ca -0.01 0.17 -0.00 0.00 0.08 0.00 0.00 57.88 58.11 1y71 h LEU 121 Cb 0.44 0.09 -0.04 0.00 1.08 0.00 0.00 40.66 42.22 1y71 h LEU 121 CO 0.02 -0.03 0.54 0.50 -1.08 0.00 0.00 178.44 178.40 1y71 h LYS 122 N 0.44 1.18 -0.36 1.13 3.64 -0.84 0.83 116.57 122.59 1y71 h LYS 122 Ca 0.69 -0.10 -0.08 0.00 -1.27 0.00 0.00 60.65 59.89 1y71 h LYS 122 Cb 1.47 -0.25 -0.01 0.00 -0.41 0.00 0.00 32.23 33.03 1y71 h LYS 122 CO -0.55 0.81 -0.10 0.87 -2.27 0.00 0.00 179.45 178.21 1y71 h LYS 123 N 1.20 0.71 -0.85 1.90 1.57 -0.79 0.27 116.57 120.58 1y71 h LYS 123 Ca 0.32 -0.28 0.05 0.00 -1.87 0.00 0.00 60.65 58.86 1y71 h LYS 123 Cb -0.08 -0.04 -0.05 0.00 0.08 0.00 0.00 32.23 32.15 1y71 h LYS 123 CO -0.06 0.87 0.56 -0.44 -0.57 0.00 0.00 179.45 179.81 1y71 h ASP 124 N 0.51 0.88 0.82 0.86 3.32 -0.48 -1.01 116.42 121.32 1y71 h ASP 124 Ca 0.09 -0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.14 1y71 h ASP 124 Cb 0.62 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1y71 h ASP 124 CO 0.04 0.59 0.00 -1.22 -1.72 0.00 0.00 179.24 176.93 1y71 n TYR 125 N -4.46 0.00 -3.40 4.55 4.01 0.24 -4.87 117.16 113.23 1y71 n TYR 125 Ca 0.12 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.65 1y71 n TYR 125 Cb 0.15 -0.47 0.07 0.00 -0.31 0.00 0.00 39.34 38.77 1y71 n TYR 125 CO 0.00 0.00 0.00 1.63 -0.46 0.00 0.00 176.86 178.03 1y71 n LYS 126 N -1.47 -6.66 -0.64 -0.72 5.02 -0.38 -5.08 118.16 108.22 1y71 n LYS 126 Ca 0.07 0.72 0.00 0.00 -2.02 0.00 0.00 58.31 57.07 1y71 n LYS 126 Cb 0.28 -5.40 0.00 0.00 -0.02 0.00 0.00 35.03 29.89 1y71 n LYS 126 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16