#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1n1a n PRO 17 N 0.00 0.36 -2.39 0.00 -0.04 -1.26 -4.98 135.00 126.70 1n1a n PRO 17 Ca 0.00 0.13 -0.31 0.00 -0.04 0.00 0.00 63.50 63.29 1n1a n PRO 17 Cb 0.00 -1.29 -0.02 0.00 -0.04 0.00 0.00 33.50 32.15 1n1a n PRO 17 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1n1a s LEU 18 N 2.60 3.56 0.51 1.53 1.43 -1.26 -4.96 118.68 122.10 1n1a s LEU 18 Ca 0.62 1.32 0.34 0.00 -1.03 0.00 0.00 54.13 55.37 1n1a s LEU 18 Cb -0.69 -4.28 1.47 0.00 0.03 0.00 0.00 46.19 42.72 1n1a s LEU 18 CO 0.59 -0.62 1.76 -0.65 0.23 0.00 0.00 176.35 177.66 1n1a h PRO 19 N 0.52 0.08 0.00 1.29 0.11 -1.93 -1.15 132.00 130.93 1n1a h PRO 19 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1n1a h PRO 19 Cb 1.19 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.28 1n1a h PRO 19 CO 0.62 0.05 0.00 -0.12 -0.21 0.00 0.00 178.00 178.35 1n1a n MET 20 N -4.29 0.08 0.15 1.05 0.00 -1.26 -2.15 117.12 110.70 1n1a n MET 20 Ca 0.28 0.31 0.13 0.00 -0.00 0.00 0.00 57.70 58.42 1n1a n MET 20 Cb 1.26 -1.64 0.32 0.00 0.00 0.00 0.00 33.22 33.15 1n1a n MET 20 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 175.97 176.90 1n1a h GLU 21 N 0.00 0.00 0.00 2.12 5.08 -1.57 -3.47 114.58 116.73 1n1a h GLU 21 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1n1a h GLU 21 Cb 0.30 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.55 1n1a h GLU 21 CO 0.00 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.42 1n1a n GLY 22 N 1.21 -1.00 3.81 -3.84 0.00 -0.91 -4.11 105.19 100.35 1n1a n GLY 22 Ca 0.05 -2.12 -0.36 0.00 0.00 0.00 0.00 46.02 43.58 1n1a n GLY 22 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1a s VAL 23 N 0.00 5.46 -0.12 1.61 1.01 -0.58 -4.69 120.40 123.08 1n1a s VAL 23 Ca 0.00 0.20 -0.29 0.00 0.00 0.00 0.00 61.98 61.89 1n1a s VAL 23 Cb 0.00 -3.43 -0.04 0.00 0.00 0.00 0.00 36.38 32.91 1n1a s VAL 23 CO 0.00 0.54 1.65 -0.62 0.00 0.00 0.00 175.10 176.67 1n1a s ASP 24 N -0.41 6.53 -0.15 3.32 -1.08 -1.26 -1.18 116.67 122.44 1n1a s ASP 24 Ca 0.12 1.99 0.18 0.00 -0.52 0.00 0.00 52.55 54.31 1n1a s ASP 24 Cb -0.12 -2.53 0.38 0.00 -1.46 0.00 0.00 42.92 39.19 1n1a s ASP 24 CO 0.01 -1.08 1.25 2.30 0.52 0.00 0.00 175.17 178.18 1n1a n ILE 25 N 5.89 2.05 -2.75 4.11 -5.35 0.12 -4.97 119.36 118.46 1n1a n ILE 25 Ca 0.18 -2.21 -0.42 0.00 -0.27 0.00 0.00 62.75 60.03 1n1a n ILE 25 Cb 0.44 -0.25 -0.03 0.00 -1.74 0.00 0.00 39.64 38.06 1n1a n ILE 25 CO 0.00 0.00 0.00 -0.94 -1.76 0.00 0.00 176.55 173.85 1n1a s SER 26 N -2.59 7.21 0.66 7.28 1.04 -1.25 -4.90 113.70 121.15 1n1a s SER 26 Ca 0.36 1.48 0.37 0.00 0.48 0.00 0.00 55.95 58.64 1n1a s SER 26 Cb 0.31 -2.53 2.01 0.00 0.10 0.00 0.00 66.02 65.91 1n1a s SER 26 CO 0.04 -0.37 2.14 1.55 0.98 0.00 0.00 173.24 177.59 1n1a h PRO 27 N 7.03 0.00 -0.01 4.02 0.13 -1.97 0.64 132.00 141.85 1n1a h PRO 27 Ca -0.34 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.79 1n1a h PRO 27 Cb 1.17 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.30 1n1a h PRO 27 CO 0.82 0.00 -0.01 1.63 -0.23 0.00 0.00 178.00 180.21 1n1a n LYS 28 N -3.03 1.29 -4.29 0.86 5.02 -1.26 -4.91 118.16 111.83 1n1a n LYS 28 Ca -0.02 -0.46 -0.33 0.00 -2.02 0.00 0.00 58.31 55.48 1n1a n LYS 28 Cb 0.23 -1.49 -0.07 0.00 -0.02 0.00 0.00 35.03 33.68 1n1a n LYS 28 CO 0.00 0.00 0.00 1.04 -0.52 0.00 0.00 177.40 177.92 1n1a n GLN 29 N -0.46 -1.63 -0.24 1.97 6.02 0.22 -4.83 117.38 118.43 1n1a n GLN 29 Ca 0.21 0.20 0.07 0.00 -0.01 0.00 0.00 57.00 57.47 1n1a n GLN 29 Cb 0.23 -4.23 0.20 0.00 1.02 0.00 0.00 30.24 27.46 1n1a n GLN 29 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1n1a n ASP 30 N -2.78 3.23 -0.58 1.08 5.75 -1.26 -4.96 116.55 117.03 1n1a n ASP 30 Ca -0.17 -2.03 -0.08 0.00 -0.01 0.00 0.00 54.79 52.51 1n1a n ASP 30 Cb 0.61 -0.31 -0.03 0.00 -1.03 0.00 0.00 41.12 40.36 1n1a n ASP 30 CO 0.00 0.00 0.00 1.21 -0.11 0.00 0.00 177.20 178.30 1n1a n GLU 31 N 0.78 -0.64 0.08 0.11 4.07 -1.26 -4.91 120.64 118.86 1n1a n GLU 31 Ca 0.15 0.72 0.12 0.00 -0.06 0.00 0.00 57.16 58.10 1n1a n GLU 31 Cb 0.49 -4.56 0.46 0.00 -0.06 0.00 0.00 31.44 27.77 1n1a n GLU 31 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1n1a n GLY 32 N -1.82 -1.44 2.78 8.31 0.00 -1.26 -4.58 105.19 107.18 1n1a n GLY 32 Ca -0.08 -0.01 -0.16 0.00 0.00 0.00 0.00 46.02 45.77 1n1a n GLY 32 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1n1a s VAL 33 N -3.13 -0.42 -0.35 1.61 1.01 -1.25 -1.77 120.40 116.09 1n1a s VAL 33 Ca 0.09 -0.40 -0.12 0.00 0.00 0.00 0.00 61.98 61.55 1n1a s VAL 33 Cb 0.12 -0.94 0.00 0.00 0.00 0.00 0.00 36.38 35.57 1n1a s VAL 33 CO 0.47 -0.40 0.22 -0.76 0.00 0.00 0.00 175.10 174.64 1n1a s LEU 34 N 2.38 4.56 -0.16 3.92 1.43 -0.47 -0.70 118.68 129.64 1n1a s LEU 34 Ca 0.09 -0.67 -0.04 0.00 -1.03 0.00 0.00 54.13 52.49 1n1a s LEU 34 Cb -0.14 -2.08 -0.03 0.00 0.03 0.00 0.00 46.19 43.97 1n1a s LEU 34 CO -0.29 -0.30 -0.04 -0.75 0.23 0.00 0.00 176.35 175.20 1n1a s LYS 35 N 1.65 3.65 -0.21 1.70 2.20 -0.32 -0.95 119.74 127.45 1n1a s LYS 35 Ca 0.05 -0.53 -0.03 0.00 -0.36 0.00 0.00 55.97 55.09 1n1a s LYS 35 Cb -0.18 -2.91 -0.01 0.00 -1.51 0.00 0.00 37.83 33.22 1n1a s LYS 35 CO 0.08 0.22 -0.05 0.08 -0.36 0.00 0.00 175.35 175.32 1n1a s VAL 36 N 0.42 3.32 -0.37 4.02 1.01 0.26 -1.53 120.40 127.53 1n1a s VAL 36 Ca -0.04 -0.51 -0.25 0.00 0.00 0.00 0.00 61.98 61.17 1n1a s VAL 36 Cb -0.14 -2.50 0.01 0.00 0.00 0.00 0.00 36.38 33.75 1n1a s VAL 36 CO 0.03 0.44 0.91 -0.63 0.00 0.00 0.00 175.10 175.84 1n1a s ILE 37 N 1.35 4.60 -0.56 2.22 1.01 -1.26 -1.02 121.20 127.54 1n1a s ILE 37 Ca 0.04 1.14 0.23 0.00 0.00 0.00 0.00 60.65 62.05 1n1a s ILE 37 Cb -0.14 -4.32 -0.15 0.00 0.01 0.00 0.00 42.46 37.86 1n1a s ILE 37 CO -0.03 -0.54 0.95 0.29 0.00 0.00 0.00 174.94 175.62 1n1a n LYS 38 N 6.74 0.32 -3.36 2.79 4.76 -0.25 -4.84 118.16 124.32 1n1a n LYS 38 Ca 0.07 -0.02 0.02 0.00 -2.87 0.00 0.00 58.31 55.50 1n1a n LYS 38 Cb 0.48 -1.59 -0.03 0.00 -1.84 0.00 0.00 35.03 32.06 1n1a n LYS 38 CO 0.00 0.00 0.00 0.50 -1.37 0.00 0.00 177.40 176.53 1n1a s ARG 39 N -3.22 0.44 0.25 1.97 3.52 -0.70 -4.90 118.95 116.30 1n1a s ARG 39 Ca 0.02 0.96 -0.31 0.00 -0.13 0.00 0.00 55.73 56.28 1n1a s ARG 39 Cb 0.14 0.56 -0.11 0.00 -1.56 0.00 0.00 34.95 33.98 1n1a s ARG 39 CO 0.82 -0.29 1.64 -2.00 -0.81 0.00 0.00 175.30 174.65 1n1a s GLU 40 N 2.78 4.13 0.47 5.12 2.56 -1.26 -0.99 118.70 131.52 1n1a s GLU 40 Ca 0.03 2.56 -0.21 0.00 0.00 0.00 0.00 54.97 57.36 1n1a s GLU 40 Cb -0.11 -3.06 -0.09 0.00 2.00 0.00 0.00 34.13 32.88 1n1a s GLU 40 CO -0.18 -0.67 1.03 0.20 -0.56 0.00 0.00 175.26 175.08 1n1a s GLY 41 N 0.80 2.52 -0.01 -1.50 0.00 -1.26 -4.55 107.32 103.32 1n1a s GLY 41 Ca 0.68 0.60 0.19 0.00 0.00 0.00 0.00 44.72 46.20 1n1a s GLY 41 CO 0.40 0.93 0.64 -0.37 0.00 0.00 0.00 173.10 174.70 1n1a n THR 42 N -0.86 0.00 -0.81 0.90 5.66 -1.18 -4.86 114.28 113.14 1n1a n THR 42 Ca 0.09 -0.24 -0.29 0.00 -3.05 0.00 0.00 64.05 60.56 1n1a n THR 42 Cb 0.52 0.56 0.24 0.00 -1.55 0.00 0.00 70.33 70.10 1n1a n THR 42 CO 0.00 0.00 0.00 -0.83 -3.05 0.00 0.00 175.07 171.19 1n1a s GLY 43 N -3.49 1.53 0.00 1.09 0.00 -1.10 -5.00 107.32 100.36 1n1a s GLY 43 Ca 0.01 -0.48 0.04 0.00 0.00 0.00 0.00 44.72 44.29 1n1a s GLY 43 CO 0.80 0.29 0.51 -0.37 0.00 0.00 0.00 173.10 174.33 1n1a n THR 44 N -4.80 0.00 -4.37 0.90 5.66 -1.26 -4.82 114.28 105.59 1n1a n THR 44 Ca 0.07 -0.48 -0.24 0.00 -3.05 0.00 0.00 64.05 60.35 1n1a n THR 44 Cb 0.57 1.06 -0.11 0.00 -1.55 0.00 0.00 70.33 70.30 1n1a n THR 44 CO 0.00 0.00 0.00 -1.61 -3.05 0.00 0.00 175.07 170.41 1n1a s GLU 45 N -0.62 1.39 0.06 1.09 2.02 -1.26 -5.10 118.70 116.28 1n1a s GLU 45 Ca 0.04 -1.48 0.02 0.00 0.02 0.00 0.00 54.97 53.57 1n1a s GLU 45 Cb 0.03 -1.53 -0.03 0.00 0.10 0.00 0.00 34.13 32.70 1n1a s GLU 45 CO 0.08 0.32 -0.07 -1.64 0.02 0.00 0.00 175.26 173.96 1n1a s MET 46 N -2.82 0.63 0.71 1.61 -1.94 -1.26 -3.52 119.30 112.70 1n1a s MET 46 Ca 0.19 -0.95 -0.15 0.00 -1.71 0.00 0.00 55.69 53.07 1n1a s MET 46 Cb -0.06 -0.25 0.03 0.00 2.01 0.00 0.00 34.83 36.55 1n1a s MET 46 CO 0.08 0.02 1.15 -2.14 -0.01 0.00 0.00 175.02 174.13 1n1a s PRO 47 N -2.35 2.39 0.10 2.03 0.02 -1.26 -5.06 135.00 130.87 1n1a s PRO 47 Ca -0.03 1.55 0.09 0.00 0.02 0.00 0.00 61.00 62.63 1n1a s PRO 47 Cb -0.05 -1.89 -0.04 0.00 0.02 0.00 0.00 34.50 32.55 1n1a s PRO 47 CO -0.01 -1.59 -0.22 -1.64 -0.33 0.00 0.00 177.00 173.20 1n1a s MET 48 N -4.08 1.22 0.14 5.54 -1.94 -1.26 -4.90 119.30 114.03 1n1a s MET 48 Ca 0.70 -1.19 -0.32 0.00 -1.71 0.00 0.00 55.69 53.17 1n1a s MET 48 Cb -0.24 -1.52 -0.18 0.00 2.01 0.00 0.00 34.83 34.90 1n1a s MET 48 CO 0.45 0.36 0.79 -0.89 -0.01 0.00 0.00 175.02 175.71 1n1a n ILE 49 N 1.12 1.25 0.00 2.53 5.41 -1.26 -0.86 119.36 127.55 1n1a n ILE 49 Ca -0.19 -0.31 0.00 0.00 1.00 0.00 0.00 62.75 63.25 1n1a n ILE 49 Cb 0.53 -0.14 0.00 0.00 -0.71 0.00 0.00 39.64 39.32 1n1a n ILE 49 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 176.55 177.16 1n1a n GLY 50 N 1.81 2.78 3.82 7.39 0.00 0.41 -4.97 105.19 116.43 1n1a n GLY 50 Ca 0.18 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.87 1n1a n GLY 50 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1n1a s ASP 51 N -1.87 6.56 -0.21 1.61 1.01 -0.04 -4.65 116.67 119.08 1n1a s ASP 51 Ca 0.00 1.73 -0.24 0.00 0.71 0.00 0.00 52.55 54.75 1n1a s ASP 51 Cb 0.00 -2.54 -0.01 0.00 1.01 0.00 0.00 42.92 41.38 1n1a s ASP 51 CO 0.00 -0.63 0.81 -0.60 0.21 0.00 0.00 175.17 174.96 1n1a s ARG 52 N -3.55 4.23 0.07 8.23 3.52 -1.12 -1.25 118.95 129.08 1n1a s ARG 52 Ca 0.63 0.93 0.04 0.00 -0.13 0.00 0.00 55.73 57.20 1n1a s ARG 52 Cb -0.12 -3.61 -0.04 0.00 -1.56 0.00 0.00 34.95 29.62 1n1a s ARG 52 CO 0.23 -0.42 0.02 0.14 -0.81 0.00 0.00 175.30 174.46 1n1a s VAL 53 N 2.48 4.16 -0.11 7.11 -7.23 0.22 -0.20 120.40 126.83 1n1a s VAL 53 Ca 0.35 -0.85 0.02 0.00 -1.81 0.00 0.00 61.98 59.69 1n1a s VAL 53 Cb -0.16 -2.96 -0.01 0.00 0.56 0.00 0.00 36.38 33.81 1n1a s VAL 53 CO 0.10 0.18 -0.17 -0.36 -0.31 0.00 0.00 175.10 174.53 1n1a s PHE 54 N -1.28 2.71 0.19 2.82 0.40 -0.48 -2.26 117.98 120.08 1n1a s PHE 54 Ca 0.25 -0.75 -0.01 0.00 -0.60 0.00 0.00 56.93 55.82 1n1a s PHE 54 Cb -0.12 -1.78 -0.04 0.00 0.51 0.00 0.00 43.02 41.59 1n1a s PHE 54 CO 0.17 -0.25 0.13 0.14 0.70 0.00 0.00 175.22 176.11 1n1a s VAL 55 N 0.27 0.02 -0.10 -0.44 -7.23 0.89 -2.06 120.40 111.75 1n1a s VAL 55 Ca -0.12 -1.96 0.03 0.00 -1.81 0.00 0.00 61.98 58.12 1n1a s VAL 55 Cb -0.16 -2.39 0.01 0.00 0.56 0.00 0.00 36.38 34.40 1n1a s VAL 55 CO 0.06 -0.10 -0.19 -1.00 -0.31 0.00 0.00 175.10 173.57 1n1a s HIS 56 N -4.13 2.18 0.19 2.82 3.76 -0.91 -0.71 115.29 118.48 1n1a s HIS 56 Ca 0.35 -0.96 0.02 0.00 -0.15 0.00 0.00 55.06 54.33 1n1a s HIS 56 Cb 0.07 -1.51 -0.05 0.00 1.11 0.00 0.00 32.58 32.20 1n1a s HIS 56 CO 0.10 -0.44 -0.01 1.52 -0.85 0.00 0.00 174.74 175.06 1n1a s TYR 57 N 0.68 1.32 -0.02 1.40 -0.85 -1.26 -2.01 117.35 116.61 1n1a s TYR 57 Ca -0.12 -0.97 -0.01 0.00 -0.52 0.00 0.00 57.07 55.44 1n1a s TYR 57 Cb -0.16 -0.75 0.01 0.00 0.38 0.00 0.00 41.96 41.44 1n1a s TYR 57 CO 0.03 -0.14 0.05 0.99 -1.52 0.00 0.00 175.55 174.96 1n1a s THR 58 N -3.56 -0.01 -0.02 -3.49 2.01 -1.04 0.46 115.64 109.98 1n1a s THR 58 Ca 0.25 0.04 0.06 0.00 0.31 0.00 0.00 61.69 62.35 1n1a s THR 58 Cb 0.06 -0.08 -0.01 0.00 0.01 0.00 0.00 72.50 72.47 1n1a s THR 58 CO 0.05 0.02 -0.19 -0.83 -0.69 0.00 0.00 174.62 172.98 1n1a s GLY 59 N 0.25 0.92 0.05 4.40 0.00 0.23 -1.77 107.32 111.41 1n1a s GLY 59 Ca -0.02 -0.80 0.05 0.00 0.00 0.00 0.00 44.72 43.95 1n1a s GLY 59 CO -0.01 -0.65 -0.15 -0.98 0.00 0.00 0.00 173.10 171.31 1n1a s TRP 60 N -0.41 1.29 0.85 1.90 0.51 -0.07 -1.21 118.94 121.80 1n1a s TRP 60 Ca 0.06 -0.39 -0.12 0.00 -2.12 0.00 0.00 56.10 53.53 1n1a s TRP 60 Cb -0.08 -0.75 0.10 0.00 -0.81 0.00 0.00 33.47 31.94 1n1a s TRP 60 CO -0.01 0.06 1.14 -0.51 -0.51 0.00 0.00 176.95 177.13 1n1a s LEU 61 N -1.38 2.31 0.45 2.99 1.43 0.26 -1.20 118.68 123.54 1n1a s LEU 61 Ca 0.01 0.95 0.12 0.00 -1.03 0.00 0.00 54.13 54.19 1n1a s LEU 61 Cb -0.09 -3.40 1.04 0.00 0.03 0.00 0.00 46.19 43.78 1n1a s LEU 61 CO 0.02 -2.18 2.05 -0.07 0.23 0.00 0.00 176.35 176.40 1n1a h LEU 62 N -1.24 0.30 -0.04 1.79 3.38 -1.87 -2.73 115.31 114.90 1n1a h LEU 62 Ca -0.48 -0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.49 1n1a h LEU 62 Cb 1.32 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 42.00 1n1a h LEU 62 CO 0.63 0.20 0.00 -0.90 0.09 0.00 0.00 178.44 178.47 1n1a n ASP 63 N -4.48 0.02 0.00 -0.43 3.85 -1.26 -4.77 116.55 109.48 1n1a n ASP 63 Ca 0.04 -1.07 0.00 0.00 -0.71 0.00 0.00 54.79 53.05 1n1a n ASP 63 Cb 0.20 -0.01 0.00 0.00 -1.35 0.00 0.00 41.12 39.96 1n1a n ASP 63 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 1n1a n GLY 64 N 0.04 2.27 3.67 6.12 0.00 -1.03 -5.03 105.19 111.23 1n1a n GLY 64 Ca 0.00 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.60 1n1a n GLY 64 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1n1a s THR 65 N -2.47 3.19 -0.34 2.61 2.01 -1.26 -4.75 115.64 114.63 1n1a s THR 65 Ca 0.00 0.38 -0.24 0.00 0.31 0.00 0.00 61.69 62.14 1n1a s THR 65 Cb 0.00 -3.25 0.01 0.00 0.01 0.00 0.00 72.50 69.27 1n1a s THR 65 CO 0.00 -0.02 0.82 -0.75 -0.69 0.00 0.00 174.62 173.98 1n1a s LYS 66 N 3.74 3.85 -0.06 4.92 2.20 -1.26 0.92 119.74 134.05 1n1a s LYS 66 Ca 0.79 0.48 0.19 0.00 -0.36 0.00 0.00 55.97 57.06 1n1a s LYS 66 Cb -0.39 -3.78 -0.23 0.00 -1.51 0.00 0.00 37.83 31.92 1n1a s LYS 66 CO 0.35 -0.81 0.45 1.97 -0.36 0.00 0.00 175.35 176.94 1n1a n PHE 67 N 6.42 0.36 -3.58 4.03 -1.74 -0.35 -4.97 117.46 117.64 1n1a n PHE 67 Ca 0.04 0.12 -0.15 0.00 -0.56 0.00 0.00 57.45 56.90 1n1a n PHE 67 Cb 0.48 -0.90 -0.06 0.00 1.52 0.00 0.00 39.48 40.51 1n1a n PHE 67 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1n1a s ASP 68 N -5.35 -0.65 -0.16 5.98 2.15 -1.19 -5.03 116.67 112.43 1n1a s ASP 68 Ca -0.07 0.97 -0.09 0.00 0.43 0.00 0.00 52.55 53.79 1n1a s ASP 68 Cb 0.09 0.89 0.06 0.00 -0.30 0.00 0.00 42.92 43.65 1n1a s ASP 68 CO 0.84 -0.41 0.39 -0.55 -0.17 0.00 0.00 175.17 175.27 1n1a s SER 69 N -0.49 -0.47 0.00 -0.34 0.15 -1.26 0.76 113.70 112.05 1n1a s SER 69 Ca -0.05 0.85 0.00 0.00 0.70 0.00 0.00 55.95 57.46 1n1a s SER 69 Cb -0.02 0.75 0.00 0.00 -1.71 0.00 0.00 66.02 65.04 1n1a s SER 69 CO 0.05 -0.19 0.58 -1.54 1.20 0.00 0.00 173.24 173.34 1n1a n SER 70 N 4.31 1.39 -3.92 5.45 3.41 0.17 -4.97 113.62 119.46 1n1a n SER 70 Ca -0.23 -1.89 -0.29 0.00 -0.26 0.00 0.00 58.87 56.20 1n1a n SER 70 Cb 0.55 -0.47 -0.13 0.00 -0.26 0.00 0.00 64.21 63.89 1n1a n SER 70 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 1n1a s LEU 71 N 0.00 4.44 0.03 1.04 1.02 -1.26 -4.76 118.68 119.19 1n1a s LEU 71 Ca 0.00 -3.31 0.02 0.00 0.02 0.00 0.00 54.13 50.86 1n1a s LEU 71 Cb 0.00 -1.62 -0.04 0.00 0.02 0.00 0.00 46.19 44.55 1n1a s LEU 71 CO 0.00 -0.18 0.05 -0.54 0.02 0.00 0.00 176.35 175.70 1n1a s LYS 76 N -0.69 2.88 -0.07 1.70 1.02 -1.26 -5.20 119.74 118.12 1n1a s LYS 76 Ca 0.20 -0.61 -0.14 0.00 0.02 0.00 0.00 55.97 55.44 1n1a s LYS 76 Cb -0.18 -2.74 -0.05 0.00 -0.52 0.00 0.00 37.83 34.34 1n1a s LYS 76 CO -0.06 0.61 0.34 0.12 -0.92 0.00 0.00 175.35 175.44 1n1a s PHE 77 N -1.22 3.62 -0.00 3.18 2.19 0.12 -4.89 117.98 120.97 1n1a s PHE 77 Ca 0.24 0.81 0.05 0.00 0.33 0.00 0.00 56.93 58.35 1n1a s PHE 77 Cb -0.12 -2.27 -0.01 0.00 -1.31 0.00 0.00 43.02 39.31 1n1a s PHE 77 CO 0.15 0.51 -0.15 0.45 1.83 0.00 0.00 175.22 178.02 1n1a s SER 78 N -0.51 1.73 0.08 6.13 0.15 -1.26 -0.08 113.70 119.95 1n1a s SER 78 Ca 0.21 -0.29 -0.27 0.00 0.70 0.00 0.00 55.95 56.30 1n1a s SER 78 Cb -0.15 -0.18 0.08 0.00 -1.71 0.00 0.00 66.02 64.06 1n1a s SER 78 CO 0.09 0.17 0.98 0.72 1.20 0.00 0.00 173.24 176.39 1n1a s PHE 79 N -0.41 -0.18 -0.14 3.44 -0.12 -0.96 -5.01 117.98 114.60 1n1a s PHE 79 Ca 0.05 -0.05 -0.14 0.00 -0.05 0.00 0.00 56.93 56.75 1n1a s PHE 79 Cb -0.06 0.60 -0.05 0.00 -0.63 0.00 0.00 43.02 42.88 1n1a s PHE 79 CO -0.00 -0.68 0.32 -0.51 -0.05 0.00 0.00 175.22 174.30 1n1a s ASP 80 N -2.79 6.50 0.33 1.98 1.01 -1.26 -0.61 116.67 121.83 1n1a s ASP 80 Ca 0.10 0.58 -0.28 0.00 0.71 0.00 0.00 52.55 53.67 1n1a s ASP 80 Cb -0.01 -2.20 -0.09 0.00 1.01 0.00 0.00 42.92 41.63 1n1a s ASP 80 CO -0.02 0.12 1.15 -0.22 0.21 0.00 0.00 175.17 176.41 1n1a s LEU 81 N 0.29 4.39 -0.70 1.23 0.20 -0.38 -4.03 118.68 119.68 1n1a s LEU 81 Ca 0.18 2.33 0.00 0.00 0.69 0.00 0.00 54.13 57.34 1n1a s LEU 81 Cb -0.13 -3.80 0.00 0.00 -0.43 0.00 0.00 46.19 41.82 1n1a s LEU 81 CO 0.05 -0.39 0.00 0.61 -0.29 0.00 0.00 176.35 176.33 1n1a n GLY 82 N 0.88 0.46 0.00 7.98 0.00 -1.26 0.15 105.19 113.40 1n1a n GLY 82 Ca 0.01 -0.64 0.00 0.00 0.00 0.00 0.00 46.02 45.39 1n1a n GLY 82 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1n1a n LYS 83 N -2.18 1.44 -1.89 1.61 5.02 -1.26 -4.77 118.16 116.12 1n1a n LYS 83 Ca -0.08 -1.06 -0.05 0.00 -2.02 0.00 0.00 58.31 55.10 1n1a n LYS 83 Cb 0.42 -0.94 -0.01 0.00 -0.02 0.00 0.00 35.03 34.49 1n1a n LYS 83 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1n1a n GLY 84 N -0.29 0.29 0.21 0.72 0.00 -1.26 -4.92 105.19 99.94 1n1a n GLY 84 Ca 0.00 -0.72 0.13 0.00 0.00 0.00 0.00 46.02 45.43 1n1a n GLY 84 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1n1a n GLU 85 N -1.75 0.79 -4.21 1.61 1.02 -1.26 -4.91 120.64 111.92 1n1a n GLU 85 Ca -0.06 -0.42 -0.14 0.00 -0.02 0.00 0.00 57.16 56.52 1n1a n GLU 85 Cb 0.46 -1.49 -0.09 0.00 -0.02 0.00 0.00 31.44 30.30 1n1a n GLU 85 CO 0.00 0.00 0.00 0.14 1.18 0.00 0.00 177.13 178.45 1n1a s VAL 86 N -2.50 0.00 0.50 2.62 -7.23 -1.26 -5.06 120.40 107.47 1n1a s VAL 86 Ca 0.25 -1.96 -0.22 0.00 -1.81 0.00 0.00 61.98 58.24 1n1a s VAL 86 Cb 0.19 -2.49 -0.07 0.00 0.56 0.00 0.00 36.38 34.57 1n1a s VAL 86 CO 0.51 0.00 1.18 -0.38 -0.31 0.00 0.00 175.10 176.10 1n1a n ILE 87 N -0.40 3.19 -0.33 -0.62 2.08 -1.26 -4.81 119.36 117.21 1n1a n ILE 87 Ca 0.04 -0.50 0.18 0.00 0.56 0.00 0.00 62.75 63.02 1n1a n ILE 87 Cb 0.64 -1.43 0.42 0.00 -0.75 0.00 0.00 39.64 38.52 1n1a n ILE 87 CO 0.00 0.00 0.00 0.11 0.56 0.00 0.00 176.55 177.22 1n1a h LYS 88 N 1.42 0.55 0.00 0.38 1.57 -1.86 0.17 116.57 118.80 1n1a h LYS 88 Ca -0.48 -0.03 -0.03 0.00 -1.87 0.00 0.00 60.65 58.24 1n1a h LYS 88 Cb 1.32 -0.12 -0.00 0.00 0.08 0.00 0.00 32.23 33.50 1n1a h LYS 88 CO 0.56 0.36 -0.13 0.00 -0.57 0.00 0.00 179.45 179.67 1n1a h ALA 89 N 1.65 1.40 0.09 3.86 0.00 -1.56 -0.80 119.26 123.90 1n1a h ALA 89 Ca 0.58 -0.12 -0.26 0.00 0.00 0.00 0.00 54.91 55.12 1n1a h ALA 89 Cb 1.19 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.96 1n1a h ALA 89 CO -0.34 0.16 -1.17 -1.49 0.00 0.00 0.00 179.25 176.41 1n1a h TRP 90 N 0.00 0.35 -0.02 0.00 4.06 -0.95 -0.63 115.95 118.76 1n1a h TRP 90 Ca -0.00 -0.26 -0.17 0.00 2.06 0.00 0.00 58.89 60.52 1n1a h TRP 90 Cb 0.32 -0.01 -0.01 0.00 -1.00 0.00 0.00 29.16 28.45 1n1a h TRP 90 CO 0.00 1.20 -0.75 -0.44 -3.56 0.00 0.00 178.44 174.89 1n1a h ASP 91 N 0.05 0.21 -0.03 -3.49 3.32 -1.24 -2.54 116.42 112.71 1n1a h ASP 91 Ca -0.10 -0.15 -0.07 0.00 0.02 0.00 0.00 57.03 56.73 1n1a h ASP 91 Cb 1.91 -0.06 0.00 0.00 0.22 0.00 0.00 39.33 41.40 1n1a h ASP 91 CO 0.18 0.88 -0.26 0.40 -1.72 0.00 0.00 179.24 178.73 1n1a h ILE 92 N 0.11 1.49 0.25 0.35 2.04 -1.09 -3.25 117.51 117.41 1n1a h ILE 92 Ca -0.02 -1.80 -0.01 0.00 1.00 0.00 0.00 64.86 64.02 1n1a h ILE 92 Cb 1.32 2.55 0.00 0.00 -0.74 0.00 0.00 36.82 39.95 1n1a h ILE 92 CO 0.11 0.50 -0.12 0.00 0.00 0.00 0.00 178.15 178.64 1n1a h ALA 93 N 0.34 -0.33 0.00 1.87 0.00 -1.19 -3.25 119.26 116.70 1n1a h ALA 93 Ca -0.02 -0.17 -0.01 0.00 0.00 0.00 0.00 54.91 54.70 1n1a h ALA 93 Cb 0.96 0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.87 1n1a h ALA 93 CO 0.05 -0.54 -0.06 0.82 0.00 0.00 0.00 179.25 179.52 1n1a h ILE 94 N -0.63 0.89 0.00 0.00 2.04 -1.62 -0.16 117.51 118.02 1n1a h ILE 94 Ca -0.03 -0.23 -0.00 0.00 1.00 0.00 0.00 64.86 65.59 1n1a h ILE 94 Cb 0.45 1.13 -0.00 0.00 -0.74 0.00 0.00 36.82 37.66 1n1a h ILE 94 CO 0.06 0.06 -0.02 0.00 0.00 0.00 0.00 178.15 178.25 1n1a h ALA 95 N 1.94 1.08 -0.47 1.87 0.00 -1.58 -1.99 119.26 120.10 1n1a h ALA 95 Ca -0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1n1a h ALA 95 Cb 0.12 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1n1a h ALA 95 CO 0.01 0.02 0.00 0.25 0.00 0.00 0.00 179.25 179.53 1n1a n THR 96 N -3.22 0.74 -3.85 0.00 -2.24 -0.08 -4.78 114.28 100.86 1n1a n THR 96 Ca -0.02 -0.87 -0.26 0.00 -2.27 0.00 0.00 64.05 60.63 1n1a n THR 96 Cb 0.15 0.74 -0.03 0.00 -2.10 0.00 0.00 70.33 69.10 1n1a n THR 96 CO 0.00 0.00 0.00 -0.04 -0.57 0.00 0.00 175.07 174.46 1n1a s MET 97 N -1.18 3.47 0.35 -0.78 1.00 -0.75 -5.10 119.30 116.31 1n1a s MET 97 Ca 0.37 -0.50 0.06 0.00 0.00 0.00 0.00 55.69 55.62 1n1a s MET 97 Cb 0.21 -2.91 -0.01 0.00 0.00 0.00 0.00 34.83 32.12 1n1a s MET 97 CO 0.28 0.47 0.50 0.15 0.00 0.00 0.00 175.02 176.42 1n1a s LYS 98 N -3.31 3.09 0.11 2.03 1.02 -1.26 -4.23 119.74 117.19 1n1a s LYS 98 Ca 0.36 -0.97 -0.30 0.00 0.02 0.00 0.00 55.97 55.08 1n1a s LYS 98 Cb -0.11 -2.79 -0.06 0.00 -0.52 0.00 0.00 37.83 34.35 1n1a s LYS 98 CO 0.29 0.00 1.04 0.14 -0.92 0.00 0.00 175.35 175.90 1n1a s VAL 99 N -2.23 4.30 0.00 3.17 -7.23 -1.23 -2.34 120.40 114.85 1n1a s VAL 99 Ca 0.46 1.85 0.00 0.00 -1.81 0.00 0.00 61.98 62.48 1n1a s VAL 99 Cb -0.10 -4.18 0.00 0.00 0.56 0.00 0.00 36.38 32.66 1n1a s VAL 99 CO 0.32 0.25 0.00 0.61 -0.31 0.00 0.00 175.10 175.97 1n1a n GLY 100 N 2.41 3.08 3.77 2.32 0.00 0.12 -2.73 105.19 114.16 1n1a n GLY 100 Ca 0.04 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.68 1n1a n GLY 100 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1n1a s GLU 101 N -0.87 3.81 -0.11 1.61 2.12 -0.99 -4.51 118.70 119.76 1n1a s GLU 101 Ca 0.00 1.97 0.01 0.00 0.36 0.00 0.00 54.97 57.32 1n1a s GLU 101 Cb 0.00 -2.56 0.02 0.00 0.26 0.00 0.00 34.13 31.85 1n1a s GLU 101 CO 0.00 -0.57 -0.13 0.08 -0.54 0.00 0.00 175.26 174.10 1n1a s VAL 102 N -1.39 1.37 0.28 3.70 1.01 -0.16 -2.06 120.40 123.15 1n1a s VAL 102 Ca 0.61 -0.56 0.04 0.00 0.00 0.00 0.00 61.98 62.07 1n1a s VAL 102 Cb -0.34 -1.27 -0.06 0.00 0.00 0.00 0.00 36.38 34.71 1n1a s VAL 102 CO 0.42 0.42 0.03 0.00 0.00 0.00 0.00 175.10 175.96 1n1a s HIS 104 N -3.33 2.38 -0.05 0.00 3.76 -0.19 0.31 115.29 118.17 1n1a s HIS 104 Ca 0.33 -1.56 -0.07 0.00 -0.15 0.00 0.00 55.06 53.61 1n1a s HIS 104 Cb 0.07 -1.63 -0.04 0.00 1.11 0.00 0.00 32.58 32.09 1n1a s HIS 104 CO 0.13 -0.74 0.22 0.42 -0.85 0.00 0.00 174.74 173.92 1n1a s ILE 105 N 1.41 5.38 -0.20 0.60 1.01 0.20 -0.58 121.20 129.03 1n1a s ILE 105 Ca -0.01 0.21 0.01 0.00 0.00 0.00 0.00 60.65 60.85 1n1a s ILE 105 Cb -0.16 -3.51 0.04 0.00 0.01 0.00 0.00 42.46 38.85 1n1a s ILE 105 CO -0.08 0.49 -0.09 -0.89 0.00 0.00 0.00 174.94 174.36 1n1a s THR 106 N -1.17 1.58 0.03 2.92 2.01 -0.13 -0.19 115.64 120.69 1n1a s THR 106 Ca 0.22 -0.98 0.07 0.00 0.31 0.00 0.00 61.69 61.30 1n1a s THR 106 Cb -0.13 -1.68 -0.02 0.00 0.01 0.00 0.00 72.50 70.68 1n1a s THR 106 CO 0.11 0.14 -0.20 0.00 -0.69 0.00 0.00 174.62 173.98 1n1a s LYS 108 N -0.97 4.21 0.35 0.00 1.02 -0.73 0.01 119.74 123.63 1n1a s LYS 108 Ca 0.07 1.52 0.15 0.00 0.02 0.00 0.00 55.97 57.73 1n1a s LYS 108 Cb -0.08 -2.59 1.14 0.00 -0.52 0.00 0.00 37.83 35.77 1n1a s LYS 108 CO 0.01 -0.10 1.60 -1.35 -0.92 0.00 0.00 175.35 174.59 1n1a h PRO 109 N 2.61 0.09 0.00 -1.68 0.11 -1.87 0.44 132.00 131.70 1n1a h PRO 109 Ca -0.48 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.62 1n1a h PRO 109 Cb 1.21 -0.02 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1n1a h PRO 109 CO 0.63 0.06 0.00 -0.85 -0.21 0.00 0.00 178.00 177.63 1n1a n GLU 110 N -5.25 0.17 -0.07 1.05 0.00 -1.26 0.86 120.64 116.14 1n1a n GLU 110 Ca 0.33 0.34 0.11 0.00 0.00 0.00 0.00 57.16 57.94 1n1a n GLU 110 Cb 1.08 -1.79 0.13 0.00 0.00 0.00 0.00 31.44 30.86 1n1a n GLU 110 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 1n1a n TYR 111 N -2.10 0.18 0.00 -1.84 4.02 0.15 -4.82 117.16 112.74 1n1a n TYR 111 Ca 0.03 -0.10 0.00 0.00 -0.01 0.00 0.00 57.90 57.82 1n1a n TYR 111 Cb 0.26 -0.00 0.00 0.00 -0.02 0.00 0.00 39.34 39.58 1n1a n TYR 111 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 1n1a n ALA 112 N 1.24 0.00 0.19 -0.72 0.00 0.57 -1.38 120.51 120.41 1n1a n ALA 112 Ca 0.14 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.64 1n1a n ALA 112 Cb 0.54 0.00 0.10 0.00 0.00 0.00 0.00 19.45 20.10 1n1a n ALA 112 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1n1a n TYR 113 N 0.00 0.23 -3.02 0.00 4.02 -0.22 -4.78 117.16 113.39 1n1a n TYR 113 Ca 0.00 -0.23 0.00 0.00 -0.01 0.00 0.00 57.90 57.66 1n1a n TYR 113 Cb 0.00 -0.01 0.00 0.00 -0.02 0.00 0.00 39.34 39.31 1n1a n TYR 113 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 1n1a n GLY 114 N 0.65 1.06 0.28 2.72 0.00 0.25 -2.31 105.19 107.85 1n1a n GLY 114 Ca 0.10 -0.58 -0.06 0.00 0.00 0.00 0.00 46.02 45.48 1n1a n GLY 114 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1n1a h SER 115 N 5.48 0.85 0.15 1.61 0.02 -1.93 0.16 113.55 119.90 1n1a h SER 115 Ca 0.00 -0.10 -0.01 0.00 -0.84 0.00 0.00 61.79 60.85 1n1a h SER 115 Cb 0.00 -0.22 0.00 0.00 0.14 0.00 0.00 62.40 62.32 1n1a h SER 115 CO 0.00 0.71 -0.07 0.00 -1.14 0.00 0.00 176.83 176.33 1n1a h ALA 116 N 1.18 -0.20 0.00 3.77 0.00 -1.91 -3.36 119.26 118.74 1n1a h ALA 116 Ca 0.24 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1n1a h ALA 116 Cb 0.04 0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.91 1n1a h ALA 116 CO -0.04 -0.57 0.00 0.41 0.00 0.00 0.00 179.25 179.05 1n1a n GLY 117 N -0.97 -0.93 2.46 0.00 0.00 -0.98 -4.49 105.19 100.29 1n1a n GLY 117 Ca -0.09 -1.28 -0.17 0.00 0.00 0.00 0.00 46.02 44.49 1n1a n GLY 117 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1n1a n SER 118 N 0.48 -1.33 -4.38 1.61 2.88 0.25 -4.94 113.62 108.18 1n1a n SER 118 Ca 0.00 -2.93 -0.41 0.00 -1.33 0.00 0.00 58.87 54.20 1n1a n SER 118 Cb 0.00 0.50 0.01 0.00 -0.75 0.00 0.00 64.21 63.97 1n1a n SER 118 CO 0.00 0.00 0.00 -2.65 -1.23 0.00 0.00 175.04 171.16 1n1a n PRO 119 N 1.71 0.30 0.05 -1.46 -0.02 -1.26 -2.52 135.00 131.80 1n1a n PRO 119 Ca 0.17 0.11 0.11 0.00 -2.02 0.00 0.00 63.50 61.87 1n1a n PRO 119 Cb 0.57 -1.29 0.00 0.00 -0.02 0.00 0.00 33.50 32.76 1n1a n PRO 119 CO 0.00 0.00 0.00 -0.35 1.98 0.00 0.00 175.50 177.13 1n1a n PRO 120 N 0.88 0.44 0.05 0.52 -0.04 -1.26 -4.79 135.00 130.82 1n1a n PRO 120 Ca 0.11 0.02 -0.15 0.00 -0.04 0.00 0.00 63.50 63.44 1n1a n PRO 120 Cb 0.41 -1.67 -0.06 0.00 -0.04 0.00 0.00 33.50 32.14 1n1a n PRO 120 CO 0.00 0.00 0.00 0.87 -0.04 0.00 0.00 175.50 176.33 1n1a h LYS 121 N 0.00 0.51 -4.60 0.54 1.57 -1.98 -3.42 116.57 109.19 1n1a h LYS 121 Ca 0.00 -0.53 -0.69 0.00 -1.87 0.00 0.00 60.65 57.57 1n1a h LYS 121 Cb 0.86 0.15 -0.35 0.00 0.08 0.00 0.00 32.23 32.96 1n1a h LYS 121 CO 0.00 1.16 -0.62 0.42 -0.57 0.00 0.00 179.45 179.84 1n1a s ILE 122 N -3.33 3.02 1.08 1.86 1.01 -1.05 -4.99 121.20 118.81 1n1a s ILE 122 Ca -0.07 -1.94 -0.16 0.00 0.00 0.00 0.00 60.65 58.48 1n1a s ILE 122 Cb 0.08 -3.01 0.15 0.00 0.01 0.00 0.00 42.46 39.69 1n1a s ILE 122 CO 0.88 -0.53 0.20 -2.65 0.00 0.00 0.00 174.94 172.85 1n1a n PRO 123 N 4.54 -2.18 -2.62 2.79 -0.02 -1.26 0.83 135.00 137.08 1n1a n PRO 123 Ca -0.04 -0.64 -0.37 0.00 -2.02 0.00 0.00 63.50 60.43 1n1a n PRO 123 Cb 0.42 -1.56 -0.05 0.00 -0.02 0.00 0.00 33.50 32.29 1n1a n PRO 123 CO 0.00 0.00 0.00 -2.14 1.98 0.00 0.00 175.50 175.34 1n1a s PRO 124 N -3.53 4.35 -1.24 0.52 0.02 -1.26 -3.90 135.00 129.97 1n1a s PRO 124 Ca 0.45 1.47 -0.10 0.00 0.02 0.00 0.00 61.00 62.84 1n1a s PRO 124 Cb -0.08 -2.68 -0.01 0.00 0.02 0.00 0.00 34.50 31.75 1n1a s PRO 124 CO 0.47 0.03 0.68 0.09 -0.33 0.00 0.00 177.00 177.94 1n1a n ASN 125 N 0.24 -3.14 -4.80 2.53 3.02 0.58 -4.95 115.26 108.74 1n1a n ASN 125 Ca 0.03 -0.96 -0.36 0.00 -0.03 0.00 0.00 54.58 53.27 1n1a n ASN 125 Cb 0.49 -3.53 -0.07 0.00 -0.61 0.00 0.00 39.78 36.06 1n1a n ASN 125 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1n1a s ALA 126 N -3.64 3.77 -0.13 5.41 0.00 -1.25 -4.84 121.76 121.08 1n1a s ALA 126 Ca 0.25 -0.61 -0.17 0.00 0.00 0.00 0.00 51.96 51.42 1n1a s ALA 126 Cb -0.08 -2.12 -0.04 0.00 0.00 0.00 0.00 23.12 20.88 1n1a s ALA 126 CO 0.85 0.38 0.45 0.99 0.00 0.00 0.00 175.76 178.43 1n1a s THR 127 N -0.36 5.21 0.11 0.00 2.01 -1.26 -3.19 115.64 118.16 1n1a s THR 127 Ca 0.13 0.88 0.05 0.00 0.31 0.00 0.00 61.69 63.07 1n1a s THR 127 Cb -0.12 -3.79 -0.04 0.00 0.01 0.00 0.00 72.50 68.56 1n1a s THR 127 CO 0.02 0.33 0.03 -0.76 -0.69 0.00 0.00 174.62 173.56 1n1a s LEU 128 N 0.63 3.54 -0.10 4.42 1.43 0.10 -3.21 118.68 125.49 1n1a s LEU 128 Ca 0.24 -0.18 0.03 0.00 -1.03 0.00 0.00 54.13 53.19 1n1a s LEU 128 Cb -0.15 -2.23 0.01 0.00 0.03 0.00 0.00 46.19 43.85 1n1a s LEU 128 CO 0.09 0.14 -0.20 -0.69 0.23 0.00 0.00 176.35 175.93 1n1a s VAL 129 N -1.45 1.74 0.06 -1.59 1.01 -0.34 -0.30 120.40 119.52 1n1a s VAL 129 Ca 0.27 -0.82 0.09 0.00 0.00 0.00 0.00 61.98 61.52 1n1a s VAL 129 Cb -0.11 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.71 1n1a s VAL 129 CO 0.20 0.49 -0.25 -0.36 0.00 0.00 0.00 175.10 175.17 1n1a s PHE 130 N 0.56 2.22 -0.23 5.22 0.40 0.73 -0.89 117.98 125.99 1n1a s PHE 130 Ca -0.15 -0.40 -0.06 0.00 -0.60 0.00 0.00 56.93 55.71 1n1a s PHE 130 Cb -0.17 -1.31 -0.02 0.00 0.51 0.00 0.00 43.02 42.03 1n1a s PHE 130 CO 0.05 0.15 0.03 -2.00 0.70 0.00 0.00 175.22 174.15 1n1a s GLU 131 N -1.34 3.59 -0.03 0.44 2.12 -0.73 0.62 118.70 123.37 1n1a s GLU 131 Ca 0.11 -0.52 0.06 0.00 0.36 0.00 0.00 54.97 54.99 1n1a s GLU 131 Cb -0.10 -3.22 -0.01 0.00 0.26 0.00 0.00 34.13 31.06 1n1a s GLU 131 CO 0.03 -0.16 -0.22 0.08 -0.54 0.00 0.00 175.26 174.45 1n1a s VAL 132 N 1.48 1.76 -0.13 3.70 1.01 0.15 -2.50 120.40 125.87 1n1a s VAL 132 Ca 0.06 -0.94 0.01 0.00 0.00 0.00 0.00 61.98 61.11 1n1a s VAL 132 Cb -0.15 -1.47 0.02 0.00 0.00 0.00 0.00 36.38 34.78 1n1a s VAL 132 CO 0.02 0.50 -0.13 -0.70 0.00 0.00 0.00 175.10 174.78 1n1a s GLU 133 N -0.39 2.13 -0.21 2.72 2.12 -0.85 0.26 118.70 124.47 1n1a s GLU 133 Ca 0.05 -0.51 -0.22 0.00 0.36 0.00 0.00 54.97 54.65 1n1a s GLU 133 Cb -0.10 -1.92 -0.02 0.00 0.26 0.00 0.00 34.13 32.35 1n1a s GLU 133 CO 0.00 -0.17 0.70 -1.17 -0.54 0.00 0.00 175.26 174.08 1n1a s LEU 134 N 1.31 4.12 -0.17 2.70 2.96 -0.87 -2.15 118.68 126.58 1n1a s LEU 134 Ca 0.00 0.90 0.14 0.00 -0.22 0.00 0.00 54.13 54.95 1n1a s LEU 134 Cb -0.14 -2.99 -0.24 0.00 0.50 0.00 0.00 46.19 43.32 1n1a s LEU 134 CO -0.06 -0.36 0.19 0.49 -1.32 0.00 0.00 176.35 175.29 1n1a n PHE 135 N 5.38 0.28 0.00 5.38 3.01 -0.88 -0.70 117.46 129.94 1n1a n PHE 135 Ca 0.01 0.10 0.00 0.00 1.01 0.00 0.00 57.45 58.57 1n1a n PHE 135 Cb 0.49 -1.05 0.00 0.00 -0.01 0.00 0.00 39.48 38.91 1n1a n PHE 135 CO 0.00 0.00 0.00 -0.85 1.01 0.00 0.00 176.76 176.92 1n1a n GLU 136 N -2.90 -1.57 -3.62 -1.08 0.28 -1.24 -4.68 120.64 105.83 1n1a n GLU 136 Ca -0.30 0.00 -0.15 0.00 -0.16 0.00 0.00 57.16 56.55 1n1a n GLU 136 Cb 1.11 0.00 -0.07 0.00 1.43 0.00 0.00 31.44 33.92 1n1a n GLU 136 CO 0.00 0.00 0.00 -0.59 -0.16 0.00 0.00 177.13 176.38 1n1a s PHE 137 N -2.00 -0.40 0.00 -1.84 -0.12 -1.26 -1.38 117.98 110.98 1n1a s PHE 137 Ca 0.00 0.56 -0.01 0.00 -0.05 0.00 0.00 56.93 57.44 1n1a s PHE 137 Cb 0.00 0.27 -0.04 0.00 -0.63 0.00 0.00 43.02 42.63 1n1a s PHE 137 CO 0.00 -0.55 0.10 0.15 -0.05 0.00 0.00 175.22 174.87 1n1a s LYS 138 N -1.80 3.12 0.06 1.99 -0.14 0.72 -4.96 119.74 118.74 1n1a s LYS 138 Ca -0.09 -0.47 -0.16 0.00 -1.36 0.00 0.00 55.97 53.89 1n1a s LYS 138 Cb -0.02 -2.89 -0.05 0.00 -1.68 0.00 0.00 37.83 33.19 1n1a s LYS 138 CO 0.03 0.64 1.26 0.78 -0.76 0.00 0.00 175.35 177.31 1n1a h GLY 139 N 3.96 -1.50 0.00 -3.33 0.00 -1.98 -2.97 103.07 97.25 1n1a h GLY 139 Ca -0.49 0.78 0.00 0.00 0.00 0.00 0.00 47.33 47.63 1n1a h GLY 139 CO 0.64 -0.44 0.00 -2.21 0.00 0.00 0.00 176.54 174.53