#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1y71 s PHE 5 N 0.00 0.83 0.34 -1.42 0.40 -1.26 -5.06 117.98 111.81 1y71 s PHE 5 Ca 0.00 -0.22 -0.04 0.00 -0.60 0.00 0.00 56.93 56.08 1y71 s PHE 5 Cb 0.00 -0.64 -0.04 0.00 0.51 0.00 0.00 43.02 42.85 1y71 s PHE 5 CO 0.00 -0.13 0.60 -1.83 0.70 0.00 0.00 175.22 174.56 1y71 s GLU 6 N 0.43 3.58 0.17 0.44 -1.05 -1.26 -4.96 118.70 116.05 1y71 s GLU 6 Ca -0.06 -0.04 -0.33 0.00 -0.15 0.00 0.00 54.97 54.38 1y71 s GLU 6 Cb -0.10 -2.60 -0.14 0.00 -0.44 0.00 0.00 34.13 30.85 1y71 s GLU 6 CO 0.00 0.12 1.60 -0.89 0.95 0.00 0.00 175.26 177.05 1y71 n ILE 7 N -1.39 0.02 0.00 1.83 5.41 -1.26 -1.01 119.36 122.95 1y71 n ILE 7 Ca -0.02 -0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.73 1y71 n ILE 7 Cb 0.55 -1.62 0.00 0.00 -0.71 0.00 0.00 39.64 37.86 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 3.49 2.02 3.73 7.39 0.00 0.34 -5.01 105.19 117.15 1y71 n GLY 8 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 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 -0.93 4.26 -0.07 1.61 2.12 -0.18 -4.68 118.70 120.84 1y71 s GLU 9 Ca 0.00 2.28 -0.29 0.00 0.36 0.00 0.00 54.97 57.32 1y71 s GLU 9 Cb 0.00 -3.15 -0.02 0.00 0.26 0.00 0.00 34.13 31.22 1y71 s GLU 9 CO 0.00 -0.49 0.96 0.42 -0.54 0.00 0.00 175.26 175.62 1y71 s ILE 10 N 0.62 4.84 0.18 -3.70 -1.09 -1.26 -0.85 121.20 119.93 1y71 s ILE 10 Ca 0.64 1.98 -0.02 0.00 -2.23 0.00 0.00 60.65 61.02 1y71 s ILE 10 Cb -0.42 -4.28 -0.04 0.00 -1.58 0.00 0.00 42.46 36.14 1y71 s ILE 10 CO 0.36 0.08 0.13 0.68 -1.23 0.00 0.00 174.94 174.96 1y71 s VAL 11 N 1.58 0.04 0.13 2.92 -7.23 -0.36 -1.06 120.40 116.42 1y71 s VAL 11 Ca 0.48 -1.90 0.03 0.00 -1.81 0.00 0.00 61.98 58.78 1y71 s VAL 11 Cb -0.19 -2.28 -0.04 0.00 0.56 0.00 0.00 36.38 34.43 1y71 s VAL 11 CO 0.21 -0.19 0.16 0.42 -0.31 0.00 0.00 175.10 175.39 1y71 s THR 12 N -4.10 4.76 -0.03 5.32 -4.23 0.52 -0.91 115.64 116.97 1y71 s THR 12 Ca 0.31 -0.84 -0.03 0.00 -1.18 0.00 0.00 61.69 59.95 1y71 s THR 12 Cb 0.07 -3.39 0.01 0.00 1.34 0.00 0.00 72.50 70.53 1y71 s THR 12 CO 0.07 -0.01 0.08 -0.83 -0.54 0.00 0.00 174.62 173.39 1y71 s GLY 13 N -2.87 -0.05 -0.18 3.99 0.00 0.19 -1.63 107.32 106.77 1y71 s GLY 13 Ca 0.32 0.19 -0.04 0.00 0.00 0.00 0.00 44.72 45.18 1y71 s GLY 13 CO 0.24 0.15 -0.02 -0.42 0.00 0.00 0.00 173.10 173.06 1y71 s ILE 14 N -0.08 3.87 -0.10 0.90 1.01 -1.26 -0.40 121.20 125.14 1y71 s ILE 14 Ca -0.01 -0.35 -0.04 0.00 0.00 0.00 0.00 60.65 60.25 1y71 s ILE 14 Cb -0.01 -2.73 0.05 0.00 0.01 0.00 0.00 42.46 39.78 1y71 s ILE 14 CO 0.00 0.46 0.19 -0.47 0.00 0.00 0.00 174.94 175.12 1y71 s TYR 15 N 0.76 -0.26 -1.52 3.97 5.04 -0.40 -4.85 117.35 120.09 1y71 s TYR 15 Ca -0.01 0.72 -0.08 0.00 -2.44 0.00 0.00 57.07 55.27 1y71 s TYR 15 Cb -0.14 -0.18 0.06 0.00 0.35 0.00 0.00 41.96 42.05 1y71 s TYR 15 CO 0.02 -0.29 0.62 1.63 -1.34 0.00 0.00 175.55 176.18 1y71 n LYS 16 N 5.26 -3.55 -0.36 4.97 5.02 -1.26 -0.72 118.16 127.51 1y71 n LYS 16 Ca -0.06 0.42 0.00 0.00 -2.02 0.00 0.00 58.31 56.65 1y71 n LYS 16 Cb 0.50 -4.85 0.00 0.00 -0.02 0.00 0.00 35.03 30.66 1y71 n LYS 16 CO 0.00 0.00 0.00 0.25 -0.52 0.00 0.00 177.40 177.13 1y71 n THR 17 N -4.43 0.00 -2.54 -0.18 -2.24 -1.26 -4.51 114.28 99.12 1y71 n THR 17 Ca -0.14 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.36 1y71 n THR 17 Cb 0.60 -0.05 -0.00 0.00 -2.10 0.00 0.00 70.33 68.78 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 1.60 -0.04 3.38 0.00 0.10 -4.46 107.32 105.90 1y71 s GLY 18 Ca 0.00 -0.38 0.02 0.00 0.00 0.00 0.00 44.72 44.36 1y71 s GLY 18 CO 0.00 -0.19 -0.09 1.25 0.00 0.00 0.00 173.10 174.07 1y71 s LYS 19 N -4.66 1.10 0.10 2.90 2.20 -0.28 -1.27 119.74 119.83 1y71 s LYS 19 Ca 0.49 -0.28 0.05 0.00 -0.36 0.00 0.00 55.97 55.87 1y71 s LYS 19 Cb -0.10 -1.00 -0.03 0.00 -1.51 0.00 0.00 37.83 35.18 1y71 s LYS 19 CO 0.44 0.04 -0.12 0.71 -0.36 0.00 0.00 175.35 176.06 1y71 s TYR 20 N 0.49 1.20 -0.12 4.03 2.02 0.47 -0.45 117.35 124.98 1y71 s TYR 20 Ca -0.08 -0.58 -0.11 0.00 -0.37 0.00 0.00 57.07 55.93 1y71 s TYR 20 Cb -0.12 -0.65 -0.05 0.00 -0.40 0.00 0.00 41.96 40.75 1y71 s TYR 20 CO 0.01 0.06 0.23 0.42 -1.57 0.00 0.00 175.55 174.70 1y71 s ILE 21 N -2.10 5.35 0.09 2.71 1.01 -0.21 -0.64 121.20 127.42 1y71 s ILE 21 Ca 0.05 0.41 -0.02 0.00 0.00 0.00 0.00 60.65 61.09 1y71 s ILE 21 Cb -0.05 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.90 1y71 s ILE 21 CO 0.02 0.53 0.16 0.61 0.00 0.00 0.00 174.94 176.26 1y71 n GLY 22 N 2.49 2.20 3.16 6.18 0.00 -0.09 -0.39 105.19 118.74 1y71 n GLY 22 Ca -0.16 -1.22 -0.29 0.00 0.00 0.00 0.00 46.02 44.35 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 -2.09 2.54 -0.00 1.61 2.12 0.20 -1.23 118.70 121.84 1y71 s GLU 23 Ca 0.05 -0.72 -0.30 0.00 0.36 0.00 0.00 54.97 54.36 1y71 s GLU 23 Cb -0.01 -1.98 -0.06 0.00 0.26 0.00 0.00 34.13 32.34 1y71 s GLU 23 CO 0.04 0.15 1.62 0.08 -0.54 0.00 0.00 175.26 176.61 1y71 s VAL 24 N 0.39 3.41 -0.23 3.70 1.01 -0.03 -0.65 120.40 128.01 1y71 s VAL 24 Ca -0.16 0.68 0.06 0.00 0.00 0.00 0.00 61.98 62.56 1y71 s VAL 24 Cb -0.17 -3.44 -0.07 0.00 0.00 0.00 0.00 36.38 32.70 1y71 s VAL 24 CO 0.07 -0.03 0.23 0.35 0.00 0.00 0.00 175.10 175.72 1y71 n THR 25 N 5.12 0.00 -3.55 3.92 -2.24 -0.35 -0.50 114.28 116.68 1y71 n THR 25 Ca 0.16 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.50 1y71 n THR 25 Cb 0.42 0.85 -0.05 0.00 -2.10 0.00 0.00 70.33 69.45 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 -1.85 -0.48 0.33 3.42 2.47 -1.22 -4.95 114.94 112.66 1y71 s ASN 26 Ca 0.01 0.51 0.09 0.00 0.42 0.00 0.00 52.86 53.89 1y71 s ASN 26 Cb 0.05 0.40 -0.04 0.00 -1.45 0.00 0.00 41.25 40.20 1y71 s ASN 26 CO 0.26 -0.46 0.10 -0.44 -3.72 0.00 0.00 177.10 172.84 1y71 s SER 27 N -1.19 4.60 -0.18 -4.21 0.01 -1.26 -0.74 113.70 110.73 1y71 s SER 27 Ca -0.05 -0.78 -0.30 0.00 1.31 0.00 0.00 55.95 56.13 1y71 s SER 27 Cb -0.00 -0.73 0.14 0.00 0.21 0.00 0.00 66.02 65.64 1y71 s SER 27 CO 0.04 -0.24 1.10 -0.60 0.41 0.00 0.00 173.24 173.96 1y71 s ARG 28 N -3.80 0.45 -0.12 12.44 3.52 -1.05 -4.93 118.95 125.46 1y71 s ARG 28 Ca 0.36 0.06 -0.04 0.00 -0.13 0.00 0.00 55.73 55.98 1y71 s ARG 28 Cb -0.03 0.21 -0.03 0.00 -1.56 0.00 0.00 34.95 33.55 1y71 s ARG 28 CO 0.22 -0.15 0.33 -2.30 -0.81 0.00 0.00 175.30 172.58 1y71 n PRO 29 N 0.53 0.00 -0.98 5.12 -0.02 -1.26 -1.27 135.00 137.12 1y71 n PRO 29 Ca -0.07 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.41 1y71 n PRO 29 Cb 0.58 -0.18 0.00 0.00 -0.02 0.00 0.00 33.50 33.88 1y71 n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1y71 n GLY 30 N 0.81 0.70 3.65 -1.23 0.00 -1.26 -4.98 105.19 102.87 1y71 n GLY 30 Ca 0.08 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 46.01 1y71 n GLY 30 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1y71 s SER 31 N -2.47 -0.21 0.01 1.61 1.04 -0.39 -0.52 113.70 112.77 1y71 s SER 31 Ca 0.00 -0.65 0.04 0.00 0.48 0.00 0.00 55.95 55.81 1y71 s SER 31 Cb 0.00 0.63 -0.01 0.00 0.10 0.00 0.00 66.02 66.74 1y71 s SER 31 CO 0.00 -1.17 -0.11 -0.31 0.98 0.00 0.00 173.24 172.63 1y71 s TYR 32 N -3.93 0.97 -0.13 5.02 2.02 0.07 -2.53 117.35 118.83 1y71 s TYR 32 Ca 0.14 -0.26 -0.25 0.00 -0.37 0.00 0.00 57.07 56.33 1y71 s TYR 32 Cb -0.03 -0.60 -0.02 0.00 -0.40 0.00 0.00 41.96 40.92 1y71 s TYR 32 CO 0.04 -0.01 0.80 0.08 -1.57 0.00 0.00 175.55 174.89 1y71 s VAL 33 N -0.55 4.93 -0.14 0.71 1.01 0.09 -0.33 120.40 126.11 1y71 s VAL 33 Ca 0.02 1.60 0.02 0.00 0.00 0.00 0.00 61.98 63.61 1y71 s VAL 33 Cb -0.06 -4.12 0.00 0.00 0.00 0.00 0.00 36.38 32.21 1y71 s VAL 33 CO 0.00 0.10 -0.19 -0.69 0.00 0.00 0.00 175.10 174.32 1y71 s VAL 34 N 1.72 2.33 -0.29 2.92 1.01 -0.16 -1.21 120.40 126.72 1y71 s VAL 34 Ca 0.39 -0.89 -0.23 0.00 0.00 0.00 0.00 61.98 61.24 1y71 s VAL 34 Cb -0.17 -1.95 -0.00 0.00 0.00 0.00 0.00 36.38 34.25 1y71 s VAL 34 CO 0.15 0.54 0.78 -0.75 0.00 0.00 0.00 175.10 175.81 1y71 s LYS 35 N 0.76 4.02 0.05 2.72 2.20 0.18 -1.50 119.74 128.15 1y71 s LYS 35 Ca -0.08 0.64 -0.31 0.00 -0.36 0.00 0.00 55.97 55.87 1y71 s LYS 35 Cb -0.16 -3.71 -0.06 0.00 -1.51 0.00 0.00 37.83 32.40 1y71 s LYS 35 CO 0.00 -0.62 1.29 0.08 -0.36 0.00 0.00 175.35 175.73 1y71 s VAL 36 N 2.89 3.81 -0.06 4.02 1.01 -0.05 -0.63 120.40 131.39 1y71 s VAL 36 Ca 0.32 1.27 0.06 0.00 0.00 0.00 0.00 61.98 63.63 1y71 s VAL 36 Cb -0.14 -3.81 -0.08 0.00 0.00 0.00 0.00 36.38 32.34 1y71 s VAL 36 CO 0.11 0.07 0.03 0.18 0.00 0.00 0.00 175.10 175.49 1y71 n LEU 37 N 4.36 0.00 -3.57 3.92 4.77 0.48 0.43 117.00 127.39 1y71 n LEU 37 Ca 0.11 0.00 -0.12 0.00 -0.03 0.00 0.00 56.01 55.97 1y71 n LEU 37 Cb 0.45 0.14 -0.04 0.00 -2.33 0.00 0.00 43.42 41.63 1y71 n LEU 37 CO 0.57 0.14 0.24 0.00 -1.33 0.00 0.00 177.39 177.01 1y71 s ALA 38 N -2.18 -1.18 -0.20 -1.18 0.00 -0.66 -3.82 121.76 112.54 1y71 s ALA 38 Ca -0.03 0.22 -0.06 0.00 0.00 0.00 0.00 51.96 52.09 1y71 s ALA 38 Cb 0.02 0.67 -0.03 0.00 0.00 0.00 0.00 23.12 23.78 1y71 s ALA 38 CO 0.26 -0.64 0.04 0.08 0.00 0.00 0.00 175.76 175.50 1y71 s VAL 39 N -3.47 4.37 -0.23 0.00 1.01 -1.26 -1.04 120.40 119.77 1y71 s VAL 39 Ca 0.01 -0.17 0.07 0.00 0.00 0.00 0.00 61.98 61.88 1y71 s VAL 39 Cb 0.01 -2.99 -0.20 0.00 0.00 0.00 0.00 36.38 33.20 1y71 s VAL 39 CO -0.10 0.42 -0.08 0.18 0.00 0.00 0.00 175.10 175.53 1y71 n LEU 40 N 4.07 1.93 -3.71 3.92 4.77 0.40 -4.41 117.00 123.96 1y71 n LEU 40 Ca -0.17 -0.06 -0.17 0.00 -0.03 0.00 0.00 56.01 55.59 1y71 n LEU 40 Cb 0.52 -0.43 -0.16 0.00 -2.33 0.00 0.00 43.42 41.02 1y71 n LEU 40 CO 0.33 0.78 -0.30 -0.75 -1.33 0.00 0.00 177.39 176.11 1y71 s LYS 41 N -2.51 -0.01 0.23 3.23 2.20 -0.07 -4.75 119.74 118.06 1y71 s LYS 41 Ca -0.25 0.36 -0.30 0.00 -0.36 0.00 0.00 55.97 55.42 1y71 s LYS 41 Cb 0.08 -0.32 -0.09 0.00 -1.51 0.00 0.00 37.83 35.99 1y71 s LYS 41 CO 0.69 -0.25 1.07 -1.58 -0.36 0.00 0.00 175.35 174.93 1y71 s HIS 42 N 1.69 3.65 0.75 4.03 5.65 -1.26 -1.12 115.29 128.68 1y71 s HIS 42 Ca -0.02 1.70 -0.13 0.00 0.25 0.00 0.00 55.06 56.86 1y71 s HIS 42 Cb -0.12 -3.23 0.05 0.00 -1.18 0.00 0.00 32.58 28.10 1y71 s HIS 42 CO -0.04 -0.41 1.15 -1.25 -0.65 0.00 0.00 174.74 173.54 1y71 s PRO 43 N -1.00 2.13 0.47 2.88 0.04 -1.26 -4.72 135.00 133.54 1y71 s PRO 43 Ca 0.46 1.50 -0.22 0.00 0.04 0.00 0.00 61.00 62.77 1y71 s PRO 43 Cb -0.30 -1.86 -0.07 0.00 0.04 0.00 0.00 34.50 32.31 1y71 s PRO 43 CO 0.37 -1.79 1.17 0.08 0.04 0.00 0.00 177.00 176.88 1y71 s VAL 44 N -2.39 3.06 0.33 -0.36 1.01 -1.26 -4.96 120.40 115.83 1y71 s VAL 44 Ca 0.68 0.78 0.02 0.00 0.00 0.00 0.00 61.98 63.47 1y71 s VAL 44 Cb -0.23 -3.39 -0.03 0.00 0.00 0.00 0.00 36.38 32.73 1y71 s VAL 44 CO 0.49 -0.03 0.50 -1.10 0.00 0.00 0.00 175.10 174.97 1y71 s GLN 45 N -2.77 3.40 0.00 2.72 -1.52 -1.26 -4.76 119.66 115.47 1y71 s GLN 45 Ca 0.65 -0.52 0.00 0.00 -1.95 0.00 0.00 55.36 53.54 1y71 s GLN 45 Cb -0.29 -2.73 0.00 0.00 -0.22 0.00 0.00 33.01 29.78 1y71 s GLN 45 CO 0.34 0.17 0.00 0.41 -0.25 0.00 0.00 175.29 175.97 1y71 n GLY 46 N -1.71 2.54 3.22 3.09 0.00 -1.26 -5.02 105.19 106.05 1y71 n GLY 46 Ca -0.05 -1.45 -0.40 0.00 0.00 0.00 0.00 46.02 44.12 1y71 n GLY 46 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1y71 s PHE 59 N -0.45 3.41 0.28 1.61 5.36 -1.26 -4.96 117.98 121.96 1y71 s PHE 59 Ca 0.00 -1.80 0.07 0.00 -0.96 0.00 0.00 56.93 54.24 1y71 s PHE 59 Cb 0.00 -3.25 -0.03 0.00 -0.34 0.00 0.00 43.02 39.39 1y71 s PHE 59 CO 0.00 -0.94 0.23 -3.38 -1.46 0.00 0.00 175.22 169.67 1y71 s HIS 60 N 1.36 3.04 0.60 10.12 -3.43 -1.26 -5.12 115.29 120.61 1y71 s HIS 60 Ca 0.05 -0.18 -0.13 0.00 -0.80 0.00 0.00 55.06 54.00 1y71 s HIS 60 Cb -0.25 -1.54 -0.04 0.00 -1.43 0.00 0.00 32.58 29.32 1y71 s HIS 60 CO -0.00 0.40 1.03 -1.83 -2.00 0.00 0.00 174.74 172.34 1y71 s GLU 61 N -3.90 3.52 -0.19 -0.38 -1.05 -1.26 -4.90 118.70 110.54 1y71 s GLU 61 Ca 0.36 0.92 -0.02 0.00 -0.15 0.00 0.00 54.97 56.08 1y71 s GLU 61 Cb -0.07 -2.07 0.06 0.00 -0.44 0.00 0.00 34.13 31.61 1y71 s GLU 61 CO 0.26 -0.63 0.02 0.50 0.95 0.00 0.00 175.26 176.36 1y71 s ARG 62 N -4.65 0.76 0.37 -4.83 3.52 -1.26 -4.89 118.95 107.97 1y71 s ARG 62 Ca 0.58 -0.45 -0.25 0.00 -0.13 0.00 0.00 55.73 55.49 1y71 s ARG 62 Cb -0.12 -2.10 -0.09 0.00 -1.56 0.00 0.00 34.95 31.08 1y71 s ARG 62 CO 0.45 -0.62 1.01 1.03 -0.81 0.00 0.00 175.30 176.37 1y71 s ARG 63 N 1.82 4.31 0.72 5.12 0.52 -1.26 -4.77 118.95 125.42 1y71 s ARG 63 Ca -0.01 1.45 -0.16 0.00 -0.52 0.00 0.00 55.73 56.49 1y71 s ARG 63 Cb -0.17 -2.62 0.03 0.00 0.52 0.00 0.00 34.95 32.71 1y71 s ARG 63 CO -0.08 0.00 1.19 0.00 0.02 0.00 0.00 175.30 176.43 1y71 n ALA 64 N 0.13 0.41 -1.71 2.13 0.00 -1.26 -4.91 120.51 115.30 1y71 n ALA 64 Ca 0.04 -0.16 -0.39 0.00 0.00 0.00 0.00 53.44 52.93 1y71 n ALA 64 Cb 0.50 -2.25 0.03 0.00 0.00 0.00 0.00 19.45 17.73 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 -2.34 4.70 -4.90 0.00 4.77 -1.26 -4.99 117.00 112.98 1y71 n LEU 65 Ca 0.14 0.99 -0.28 0.00 -0.03 0.00 0.00 56.01 56.83 1y71 n LEU 65 Cb 0.49 -1.52 0.03 0.00 -2.33 0.00 0.00 43.42 40.09 1y71 n LEU 65 CO 0.48 -0.84 0.60 0.00 -1.33 0.00 0.00 177.39 176.30 1y71 s ALA 66 N -1.30 3.19 0.11 -1.18 0.00 -1.26 -4.96 121.76 116.36 1y71 s ALA 66 Ca 0.69 -0.48 -0.32 0.00 0.00 0.00 0.00 51.96 51.85 1y71 s ALA 66 Cb -0.45 -2.78 -0.11 0.00 0.00 0.00 0.00 23.12 19.78 1y71 s ALA 66 CO 0.52 -0.78 1.80 0.34 0.00 0.00 0.00 175.76 177.63 1y71 n PHE 67 N -2.65 2.55 -0.89 0.00 7.35 -1.26 -1.24 117.46 121.31 1y71 n PHE 67 Ca 0.05 -0.06 0.00 0.00 -0.76 0.00 0.00 57.45 56.67 1y71 n PHE 67 Cb 0.56 -2.69 0.00 0.00 0.35 0.00 0.00 39.48 37.70 1y71 n PHE 67 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1y71 n ARG 68 N 5.31 -0.76 -1.73 -4.13 1.74 0.17 -4.96 116.66 112.30 1y71 n ARG 68 Ca 0.18 0.19 -0.42 0.00 -0.77 0.00 0.00 57.85 57.03 1y71 n ARG 68 Cb 0.35 -4.01 -0.01 0.00 -1.02 0.00 0.00 32.46 27.77 1y71 n ARG 68 CO 0.00 0.00 0.00 -1.91 -1.52 0.00 0.00 177.63 174.20 1y71 n GLU 69 N -1.11 2.36 -4.30 5.56 2.13 -0.37 -4.52 120.64 120.38 1y71 n GLU 69 Ca 0.00 0.83 -0.34 0.00 0.66 0.00 0.00 57.16 58.31 1y71 n GLU 69 Cb 0.19 -2.48 -0.14 0.00 0.27 0.00 0.00 31.44 29.28 1y71 n GLU 69 CO 0.00 0.00 0.00 -0.65 -0.41 0.00 0.00 177.13 176.07 1y71 s GLN 70 N -1.74 3.47 0.01 5.31 -0.21 -1.26 -0.88 119.66 124.36 1y71 s GLN 70 Ca 0.56 -0.61 0.02 0.00 0.02 0.00 0.00 55.36 55.35 1y71 s GLN 70 Cb -0.54 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 30.59 1y71 s GLN 70 CO 0.61 0.05 -0.07 0.95 -2.12 0.00 0.00 175.29 174.70 1y71 s THR 71 N 0.83 0.58 -0.02 -0.19 -4.23 -0.56 -4.93 115.64 107.12 1y71 s THR 71 Ca -0.02 -0.47 -0.30 0.00 -1.18 0.00 0.00 61.69 59.72 1y71 s THR 71 Cb -0.15 -0.51 -0.04 0.00 1.34 0.00 0.00 72.50 73.14 1y71 s THR 71 CO 0.01 0.06 1.22 0.21 -0.54 0.00 0.00 174.62 175.58 1y71 s ASN 72 N -0.45 7.04 -0.06 3.99 2.47 -1.26 -0.99 114.94 125.67 1y71 s ASN 72 Ca 0.01 1.90 0.02 0.00 0.42 0.00 0.00 52.86 55.21 1y71 s ASN 72 Cb -0.04 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.21 1y71 s ASN 72 CO -0.00 -0.57 -0.11 -0.63 -3.72 0.00 0.00 177.10 172.08 1y71 s ILE 73 N 1.93 1.02 0.51 -5.21 1.01 0.55 -4.96 121.20 116.05 1y71 s ILE 73 Ca 0.58 -0.40 -0.23 0.00 0.00 0.00 0.00 60.65 60.59 1y71 s ILE 73 Cb -0.27 -0.95 -0.06 0.00 0.01 0.00 0.00 42.46 41.19 1y71 s ILE 73 CO 0.24 0.33 1.36 -2.65 0.00 0.00 0.00 174.94 174.22 1y71 n PRO 74 N 3.91 1.85 0.29 2.79 -0.02 -1.26 -0.75 135.00 141.80 1y71 n PRO 74 Ca -0.23 0.67 0.14 0.00 -2.02 0.00 0.00 63.50 62.06 1y71 n PRO 74 Cb 0.51 -2.56 0.85 0.00 -0.02 0.00 0.00 33.50 32.29 1y71 n PRO 74 CO 0.00 0.00 0.00 1.05 1.98 0.00 0.00 175.50 178.53 1y71 h GLU 75 N 1.71 0.00 -1.71 -0.52 4.11 -1.12 -3.25 114.58 113.80 1y71 h GLU 75 Ca -0.50 0.00 0.00 0.00 0.07 0.00 0.00 59.36 58.93 1y71 h GLU 75 Cb 1.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.55 1y71 h GLU 75 CO 0.58 0.02 0.00 1.04 0.07 0.00 0.00 179.01 180.72 1y71 n GLN 76 N -3.94 0.54 -0.80 1.06 3.00 -1.26 -4.78 117.38 111.19 1y71 n GLN 76 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.96 1y71 n GLN 76 Cb 0.10 -1.23 0.00 0.00 0.00 0.00 0.00 30.24 29.11 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 1.19 0.00 -4.13 5.09 0.31 -1.23 -5.08 118.33 114.47 1y71 n VAL 78 Ca 0.00 0.00 -0.15 0.00 -0.01 0.00 0.00 64.34 64.18 1y71 n VAL 78 Cb 0.27 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.06 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 -1.02 0.41 0.23 5.55 2.20 -0.64 -4.98 119.74 121.48 1y71 s LYS 79 Ca 0.00 -0.24 -0.32 0.00 -0.36 0.00 0.00 55.97 55.05 1y71 s LYS 79 Cb 0.00 -0.38 -0.14 0.00 -1.51 0.00 0.00 37.83 35.81 1y71 s LYS 79 CO 0.00 0.10 1.38 1.17 -0.36 0.00 0.00 175.35 177.63 1y71 n LYS 80 N 2.79 1.90 -3.93 4.03 4.81 -1.26 -0.35 118.16 126.15 1y71 n LYS 80 Ca -0.14 0.68 -0.28 0.00 -0.87 0.00 0.00 58.31 57.70 1y71 n LYS 80 Cb 0.58 -2.31 -0.17 0.00 0.02 0.00 0.00 35.03 33.15 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 -0.05 1.72 -1.47 5.64 5.04 -0.22 -4.68 117.35 123.32 1y71 s TYR 81 Ca 0.69 -0.95 0.15 0.00 -2.44 0.00 0.00 57.07 54.53 1y71 s TYR 81 Cb -0.68 -1.35 0.34 0.00 0.35 0.00 0.00 41.96 40.61 1y71 s TYR 81 CO 0.50 -0.58 1.25 0.39 -1.34 0.00 0.00 175.55 175.77 1y71 n GLU 82 N 4.88 2.34 -1.60 4.97 -0.58 -1.26 -4.43 120.64 124.95 1y71 n GLU 82 Ca -0.14 -2.02 -0.26 0.00 -0.42 0.00 0.00 57.16 54.33 1y71 n GLU 82 Cb 0.50 -1.35 0.18 0.00 -0.57 0.00 0.00 31.44 30.20 1y71 n GLU 82 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1y71 n GLY 83 N 0.90 -1.56 3.78 0.62 0.00 -1.26 -5.03 105.19 102.64 1y71 n GLY 83 Ca 0.14 -1.69 -0.34 0.00 0.00 0.00 0.00 46.02 44.13 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 -5.51 3.31 -0.33 1.61 2.02 -1.26 -5.01 118.70 113.53 1y71 s GLU 84 Ca 0.66 1.45 -0.14 0.00 0.02 0.00 0.00 54.97 56.96 1y71 s GLU 84 Cb -0.02 -2.01 -0.02 0.00 0.10 0.00 0.00 34.13 32.18 1y71 s GLU 84 CO 0.46 -0.85 0.32 0.42 0.02 0.00 0.00 175.26 175.63 1y71 s ILE 85 N -2.04 5.21 0.73 -1.63 1.01 -1.26 -5.07 121.20 118.15 1y71 s ILE 85 Ca 0.69 0.07 -0.11 0.00 0.00 0.00 0.00 60.65 61.31 1y71 s ILE 85 Cb -0.20 -3.75 0.03 0.00 0.01 0.00 0.00 42.46 38.54 1y71 s ILE 85 CO 0.30 -0.01 1.07 -2.16 0.00 0.00 0.00 174.94 174.15 1y71 s PRO 86 N 1.94 2.62 0.23 2.79 0.04 -1.26 -4.98 135.00 136.38 1y71 s PRO 86 Ca 0.11 1.03 -0.31 0.00 0.04 0.00 0.00 61.00 61.87 1y71 s PRO 86 Cb -0.17 -1.95 -0.11 0.00 0.04 0.00 0.00 34.50 32.32 1y71 s PRO 86 CO 0.11 -1.35 1.60 0.34 0.04 0.00 0.00 177.00 177.74 1y71 s ASP 87 N -3.63 6.47 0.11 6.66 -1.08 -1.26 -4.68 116.67 119.26 1y71 s ASP 87 Ca 0.59 2.80 -0.25 0.00 -0.52 0.00 0.00 52.55 55.17 1y71 s ASP 87 Cb -0.15 -2.61 -0.09 0.00 -1.46 0.00 0.00 42.92 38.60 1y71 s ASP 87 CO 0.55 -0.87 1.67 0.22 0.52 0.00 0.00 175.17 177.27 1y71 h TYR 88 N 5.88 -0.42 -0.34 -5.34 3.20 -1.94 0.13 116.97 118.14 1y71 h TYR 88 Ca -0.45 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.43 1y71 h TYR 88 Cb 1.21 0.18 -0.02 0.00 1.54 0.00 0.00 36.73 39.64 1y71 h TYR 88 CO 0.62 -0.24 0.19 1.15 -1.64 0.00 0.00 178.16 178.24 1y71 h THR 89 N -0.30 1.13 -0.50 1.81 2.02 -1.91 -0.36 112.91 114.80 1y71 h THR 89 Ca 0.03 -0.33 -0.05 0.00 0.77 0.00 0.00 66.41 66.83 1y71 h THR 89 Cb 0.33 0.74 -0.02 0.00 -1.74 0.00 0.00 68.15 67.46 1y71 h THR 89 CO -0.11 0.13 0.11 -0.08 0.37 0.00 0.00 175.52 175.94 1y71 h GLU 90 N 0.42 0.77 -0.69 6.66 4.57 -1.90 -1.06 114.58 123.36 1y71 h GLU 90 Ca 0.12 -0.16 -0.07 0.00 -1.18 0.00 0.00 59.36 58.07 1y71 h GLU 90 Cb 0.04 -0.12 -0.03 0.00 -0.16 0.00 0.00 28.75 28.49 1y71 h GLU 90 CO -0.02 0.71 0.16 0.66 -1.18 0.00 0.00 179.01 179.34 1y71 h SER 91 N 0.75 1.07 -0.37 1.04 4.64 -0.16 -0.57 113.55 119.94 1y71 h SER 91 Ca 0.16 -0.24 -0.02 0.00 -0.47 0.00 0.00 61.79 61.22 1y71 h SER 91 Cb 0.30 -0.28 -0.02 0.00 -0.31 0.00 0.00 62.40 62.09 1y71 h SER 91 CO 0.00 1.03 0.13 0.25 -0.87 0.00 0.00 176.83 177.37 1y71 h LEU 92 N 1.05 0.51 -0.20 5.97 5.85 -0.78 0.26 115.31 127.98 1y71 h LEU 92 Ca 0.22 -0.18 0.04 0.00 0.84 0.00 0.00 57.88 58.79 1y71 h LEU 92 Cb 0.39 -0.13 -0.03 0.00 0.37 0.00 0.00 40.66 41.25 1y71 h LEU 92 CO 0.00 0.56 -0.02 0.50 -0.34 0.00 0.00 178.44 179.14 1y71 h LYS 93 N 0.44 0.04 0.37 1.25 3.64 -1.02 -1.25 116.57 120.05 1y71 h LYS 93 Ca 0.12 -0.00 -0.02 0.00 -1.27 0.00 0.00 60.65 59.48 1y71 h LYS 93 Cb 0.21 -0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.03 1y71 h LYS 93 CO -0.01 0.03 -0.18 1.25 -2.27 0.00 0.00 179.45 178.27 1y71 h LEU 94 N 0.04 -0.43 -0.83 5.20 5.85 -0.91 -1.51 115.31 122.73 1y71 h LEU 94 Ca 0.10 0.01 0.15 0.00 0.84 0.00 0.00 57.88 58.98 1y71 h LEU 94 Cb 0.13 0.11 -0.10 0.00 0.37 0.00 0.00 40.66 41.17 1y71 h LEU 94 CO -0.18 -0.29 0.39 0.00 -0.34 0.00 0.00 178.44 178.01 1y71 h ALA 95 N 0.11 1.23 -0.28 1.25 0.00 -0.40 0.22 119.26 121.40 1y71 h ALA 95 Ca -0.05 0.10 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1y71 h ALA 95 Cb 0.39 0.04 -0.01 0.00 0.00 0.00 0.00 17.79 18.21 1y71 h ALA 95 CO 0.08 -0.16 -0.08 1.25 0.00 0.00 0.00 179.25 180.34 1y71 h LEU 96 N 0.54 0.55 -0.81 0.00 5.85 -1.13 -1.58 115.31 118.72 1y71 h LEU 96 Ca 0.46 -0.37 -0.04 0.00 0.84 0.00 0.00 57.88 58.77 1y71 h LEU 96 Cb 0.70 -0.15 -0.04 0.00 0.37 0.00 0.00 40.66 41.54 1y71 h LEU 96 CO -0.40 0.80 0.37 -0.33 -0.34 0.00 0.00 178.44 178.54 1y71 h GLU 97 N 0.30 1.19 -0.22 1.25 5.08 -0.49 -2.82 114.58 118.87 1y71 h GLU 97 Ca 0.07 -0.19 0.02 0.00 -1.00 0.00 0.00 59.36 58.26 1y71 h GLU 97 Cb 0.57 -0.21 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 1y71 h GLU 97 CO 0.03 0.93 0.07 1.15 -1.00 0.00 0.00 179.01 180.19 1y71 h THR 98 N 1.16 0.94 0.00 1.13 2.02 -0.86 0.10 112.91 117.41 1y71 h THR 98 Ca 0.28 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.40 1y71 h THR 98 Cb 0.15 0.75 0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1y71 h THR 98 CO -0.03 0.03 0.00 1.67 0.37 0.00 0.00 175.52 177.56 1y71 n GLN 99 N -5.04 0.17 0.00 6.66 7.27 -0.61 -1.04 117.38 124.79 1y71 n GLN 99 Ca -0.02 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.05 1y71 n GLN 99 Cb 0.08 -1.23 0.00 0.00 2.41 0.00 0.00 30.24 31.50 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 0.63 0.00 0.33 1.69 3.02 0.35 -3.74 115.26 117.55 1y71 n ASN 101 Ca 0.00 0.00 0.22 0.00 -0.03 0.00 0.00 54.58 54.77 1y71 n ASN 101 Cb 0.06 0.00 1.19 0.00 -0.61 0.00 0.00 39.78 40.42 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 -0.07 6.41 4.64 -1.33 -1.62 113.55 121.57 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 -3.05 0.08 -0.27 4.77 3.72 -1.25 -4.62 117.46 116.85 1y71 n PHE 103 Ca -0.03 -0.04 0.27 0.00 -0.05 0.00 0.00 57.45 57.60 1y71 n PHE 103 Cb 0.08 0.00 0.63 0.00 -0.94 0.00 0.00 39.48 39.25 1y71 n PHE 103 CO 0.00 0.00 0.00 0.66 -0.05 0.00 0.00 176.76 177.37 1y71 h SER 104 N 2.91 0.20 -0.18 4.37 4.64 -1.66 0.79 113.55 124.63 1y71 h SER 104 Ca 0.00 0.03 -0.00 0.00 -0.47 0.00 0.00 61.79 61.35 1y71 h SER 104 Cb 0.62 -0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.71 1y71 h SER 104 CO 0.00 0.05 -0.00 -0.62 -0.87 0.00 0.00 176.83 175.39 1y71 n GLU 105 N -4.39 2.38 -3.66 4.77 1.02 -1.26 -4.96 120.64 114.54 1y71 n GLU 105 Ca 0.23 -2.76 -0.39 0.00 -0.02 0.00 0.00 57.16 54.21 1y71 n GLU 105 Cb 0.97 -1.74 -0.11 0.00 -0.02 0.00 0.00 31.44 30.55 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 -2.25 5.52 -0.10 1.62 -1.08 0.27 -4.96 116.67 115.69 1y71 s ASP 106 Ca 0.39 -1.44 0.12 0.00 -0.52 0.00 0.00 52.55 51.10 1y71 s ASP 106 Cb 0.32 -1.94 0.52 0.00 -1.46 0.00 0.00 42.92 40.36 1y71 s ASP 106 CO 0.07 -0.48 1.37 -0.90 0.52 0.00 0.00 175.17 175.75 1y71 n ASP 107 N 4.86 3.65 -4.79 -0.34 5.68 -1.26 -4.76 116.55 119.59 1y71 n ASP 107 Ca -0.10 -2.39 -0.33 0.00 -0.50 0.00 0.00 54.79 51.48 1y71 n ASP 107 Cb 0.43 -0.51 0.02 0.00 -1.14 0.00 0.00 41.12 39.92 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 -0.72 5.59 0.47 -1.12 1.04 -1.26 -4.95 113.70 112.76 1y71 s SER 108 Ca 0.36 1.86 0.19 0.00 0.48 0.00 0.00 55.95 58.84 1y71 s SER 108 Cb 0.24 -2.54 1.19 0.00 0.10 0.00 0.00 66.02 65.02 1y71 s SER 108 CO 0.16 -1.30 1.98 -0.65 0.98 0.00 0.00 173.24 174.41 1y71 h PRO 109 N 0.30 0.22 -0.22 4.02 0.11 -2.00 -2.40 132.00 132.03 1y71 h PRO 109 Ca -0.47 -0.01 -0.07 0.00 0.11 0.00 0.00 66.00 65.56 1y71 h PRO 109 Cb 1.23 -0.05 -0.01 0.00 0.11 0.00 0.00 31.00 32.28 1y71 h PRO 109 CO 0.56 0.15 -0.13 0.35 -0.21 0.00 0.00 178.00 178.72 1y71 h PHE 110 N 0.23 0.55 -0.41 0.65 3.57 -1.97 -1.74 116.94 117.82 1y71 h PHE 110 Ca 0.27 -0.15 0.05 0.00 3.53 0.00 0.00 57.97 61.68 1y71 h PHE 110 Cb 0.76 -0.12 -0.05 0.00 2.79 0.00 0.00 35.95 39.33 1y71 h PHE 110 CO -0.00 0.77 0.13 0.00 -2.23 0.00 0.00 178.31 176.99 1y71 h ALA 111 N 0.69 0.48 -0.02 2.41 0.00 -1.85 0.51 119.26 121.49 1y71 h ALA 111 Ca 0.04 0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.04 1y71 h ALA 111 Cb 0.64 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 18.44 1y71 h ALA 111 CO 0.04 -0.26 -0.18 1.49 0.00 0.00 0.00 179.25 180.34 1y71 h GLU 112 N 0.29 -0.28 -0.48 0.00 4.81 -1.20 0.57 114.58 118.29 1y71 h GLU 112 Ca 0.19 0.02 -0.07 0.00 -0.13 0.00 0.00 59.36 59.37 1y71 h GLU 112 Cb 0.19 0.06 -0.02 0.00 0.63 0.00 0.00 28.75 29.62 1y71 h GLU 112 CO -0.21 -0.18 0.03 -0.09 -0.73 0.00 0.00 179.01 177.83 1y71 h ARG 113 N -0.29 0.83 -0.25 1.92 9.65 -1.22 -2.16 114.38 122.86 1y71 h ARG 113 Ca 0.06 -0.25 -0.00 0.00 -1.10 0.00 0.00 59.98 58.69 1y71 h ARG 113 Cb 0.37 -0.08 -0.01 0.00 -1.39 0.00 0.00 29.97 28.85 1y71 h ARG 113 CO -0.19 0.86 0.14 0.77 2.80 0.00 0.00 179.97 184.35 1y71 h SER 114 N 0.69 0.31 -0.57 -3.80 0.02 -0.65 -2.07 113.55 107.48 1y71 h SER 114 Ca 0.14 -0.08 0.00 0.00 -0.84 0.00 0.00 61.79 61.02 1y71 h SER 114 Cb 0.46 -0.08 -0.03 0.00 0.14 0.00 0.00 62.40 62.90 1y71 h SER 114 CO 0.02 0.29 0.36 0.25 -1.14 0.00 0.00 176.83 176.61 1y71 h LEU 115 N 0.30 0.66 -0.21 5.07 5.85 -0.70 0.12 115.31 126.40 1y71 h LEU 115 Ca 0.09 -0.03 0.06 0.00 0.84 0.00 0.00 57.88 58.83 1y71 h LEU 115 Cb 0.05 -0.17 -0.06 0.00 0.37 0.00 0.00 40.66 40.85 1y71 h LEU 115 CO -0.01 0.50 -0.22 -0.33 -0.34 0.00 0.00 178.44 178.03 1y71 h GLU 116 N 0.77 -0.23 -0.31 1.25 5.08 -1.32 -0.22 114.58 119.59 1y71 h GLU 116 Ca 0.21 0.02 0.03 0.00 -1.00 0.00 0.00 59.36 58.61 1y71 h GLU 116 Cb -0.06 0.05 -0.03 0.00 0.50 0.00 0.00 28.75 29.21 1y71 h GLU 116 CO -0.04 -0.15 0.13 1.15 -1.00 0.00 0.00 179.01 179.09 1y71 h THR 117 N -0.24 0.94 -0.36 1.13 2.02 -0.86 -2.45 112.91 113.08 1y71 h THR 117 Ca 0.13 -0.09 -0.09 0.00 0.77 0.00 0.00 66.41 67.13 1y71 h THR 117 Cb 0.43 0.64 -0.02 0.00 -1.74 0.00 0.00 68.15 67.47 1y71 h THR 117 CO -0.35 0.05 -0.14 -0.07 0.37 0.00 0.00 175.52 175.39 1y71 h LEU 118 N 0.27 0.62 -0.74 2.58 3.38 -0.74 -1.39 115.31 119.29 1y71 h LEU 118 Ca 0.14 -0.18 0.01 0.00 0.09 0.00 0.00 57.88 57.93 1y71 h LEU 118 Cb 0.09 -0.17 -0.04 0.00 0.09 0.00 0.00 40.66 40.63 1y71 h LEU 118 CO -0.12 0.78 0.49 1.56 0.09 0.00 0.00 178.44 181.23 1y71 h GLN 119 N 0.58 0.98 -0.18 1.13 4.20 -0.72 -0.81 115.11 120.29 1y71 h GLN 119 Ca 0.10 -0.06 -0.04 0.00 0.06 0.00 0.00 58.65 58.70 1y71 h GLN 119 Cb 0.57 -0.22 -0.01 0.00 0.30 0.00 0.00 27.48 28.12 1y71 h GLN 119 CO 0.04 0.66 -0.05 0.37 -0.67 0.00 0.00 178.83 179.17 1y71 h GLN 120 N 1.01 0.35 -0.92 1.46 5.75 -1.23 -3.09 115.11 118.44 1y71 h GLN 120 Ca 0.27 -0.14 0.15 0.00 -0.15 0.00 0.00 58.65 58.78 1y71 h GLN 120 Cb -0.11 -0.02 -0.09 0.00 1.07 0.00 0.00 27.48 28.33 1y71 h GLN 120 CO -0.06 0.62 0.53 -0.07 -2.65 0.00 0.00 178.83 177.20 1y71 h LEU 121 N 0.06 0.70 -1.20 -2.39 3.38 -0.97 0.12 115.31 115.02 1y71 h LEU 121 Ca 0.05 0.08 0.11 0.00 0.09 0.00 0.00 57.88 58.20 1y71 h LEU 121 Cb 0.49 -0.05 -0.07 0.00 0.09 0.00 0.00 40.66 41.13 1y71 h LEU 121 CO 0.02 0.31 0.58 0.50 0.09 0.00 0.00 178.44 179.94 1y71 h LYS 122 N 0.76 0.84 -0.04 1.13 3.64 -1.08 0.11 116.57 121.93 1y71 h LYS 122 Ca 0.49 -0.05 -0.20 0.00 -1.27 0.00 0.00 60.65 59.62 1y71 h LYS 122 Cb 0.65 -0.19 0.01 0.00 -0.41 0.00 0.00 32.23 32.30 1y71 h LYS 122 CO -0.34 0.55 -0.77 0.87 -2.27 0.00 0.00 179.45 177.50 1y71 h LYS 123 N 0.86 0.59 -0.71 1.90 1.57 -0.78 -2.03 116.57 117.98 1y71 h LYS 123 Ca 0.42 -0.59 -0.01 0.00 -1.87 0.00 0.00 60.65 58.61 1y71 h LYS 123 Cb 0.46 0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.89 1y71 h LYS 123 CO -0.19 1.20 0.39 -0.44 -0.57 0.00 0.00 179.45 179.84 1y71 h ASP 124 N 0.21 0.87 0.79 0.86 3.32 -0.16 -2.28 116.42 120.03 1y71 h ASP 124 Ca -0.09 -0.07 0.00 0.00 0.02 0.00 0.00 57.03 56.90 1y71 h ASP 124 Cb 1.44 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.77 1y71 h ASP 124 CO 0.15 0.70 0.00 -1.22 -1.72 0.00 0.00 179.24 177.15 1y71 n TYR 125 N -4.37 0.53 -0.82 4.55 4.01 0.29 -4.90 117.16 116.46 1y71 n TYR 125 Ca 0.07 0.19 0.00 0.00 -0.16 0.00 0.00 57.90 58.00 1y71 n TYR 125 Cb 0.10 -0.81 0.00 0.00 -0.31 0.00 0.00 39.34 38.31 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 -1.97 0.00 0.00 -0.72 4.01 -0.86 -5.10 118.16 113.53 1y71 n LYS 126 Ca 0.03 0.34 0.08 0.00 -0.51 0.00 0.00 58.31 58.25 1y71 n LYS 126 Cb 0.25 -2.94 0.07 0.00 -0.51 0.00 0.00 35.03 31.89 1y71 n LYS 126 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57