#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lb1 s ILE 4 N 0.00 4.54 -0.17 0.00 -1.09 -1.04 -4.91 121.20 118.54 1lb1 s ILE 4 Ca 0.00 1.90 -0.03 0.00 -2.23 0.00 0.00 60.65 60.29 1lb1 s ILE 4 Cb 0.00 -4.24 -0.02 0.00 -1.58 0.00 0.00 42.46 36.62 1lb1 s ILE 4 CO 0.00 0.36 -0.07 -0.13 -1.23 0.00 0.00 174.94 173.87 1lb1 s ARG 5 N -0.17 3.48 0.03 2.79 0.52 -1.26 0.47 118.95 124.80 1lb1 s ARG 5 Ca 0.43 -0.61 0.03 0.00 -0.52 0.00 0.00 55.73 55.07 1lb1 s ARG 5 Cb -0.23 -2.87 -0.02 0.00 0.52 0.00 0.00 34.95 32.36 1lb1 s ARG 5 CO 0.27 0.07 -0.10 0.15 0.02 0.00 0.00 175.30 175.71 1lb1 s LYS 6 N 0.79 0.72 -0.23 3.54 -0.14 -0.90 -4.97 119.74 118.55 1lb1 s LYS 6 Ca -0.02 -0.60 -0.07 0.00 -1.36 0.00 0.00 55.97 53.92 1lb1 s LYS 6 Cb -0.15 -0.66 -0.03 0.00 -1.68 0.00 0.00 37.83 35.31 1lb1 s LYS 6 CO 0.02 0.16 0.06 0.21 -0.76 0.00 0.00 175.35 175.04 1lb1 s LYS 7 N -0.93 3.74 -0.17 1.68 2.20 -1.26 -0.18 119.74 124.81 1lb1 s LYS 7 Ca -0.01 -0.45 -0.02 0.00 -0.36 0.00 0.00 55.97 55.14 1lb1 s LYS 7 Cb -0.07 -3.27 -0.01 0.00 -1.51 0.00 0.00 37.83 32.97 1lb1 s LYS 7 CO 0.01 -0.04 -0.09 -1.17 -0.36 0.00 0.00 175.35 173.69 1lb1 s LEU 8 N 1.22 2.81 -0.18 5.43 0.20 0.52 -1.10 118.68 127.59 1lb1 s LEU 8 Ca 0.05 -0.35 -0.01 0.00 0.69 0.00 0.00 54.13 54.51 1lb1 s LEU 8 Cb -0.14 -1.68 0.00 0.00 -0.43 0.00 0.00 46.19 43.94 1lb1 s LEU 8 CO 0.03 0.08 -0.13 -0.69 -0.29 0.00 0.00 176.35 175.35 1lb1 s VAL 9 N 0.88 2.71 -0.22 1.68 1.01 -1.01 -0.87 120.40 124.58 1lb1 s VAL 9 Ca -0.02 -0.74 -0.14 0.00 0.00 0.00 0.00 61.98 61.08 1lb1 s VAL 9 Cb -0.15 -2.17 -0.04 0.00 0.00 0.00 0.00 36.38 34.02 1lb1 s VAL 9 CO 0.00 0.50 0.33 -0.51 0.00 0.00 0.00 175.10 175.43 1lb1 s ILE 10 N 1.12 5.24 0.42 2.22 2.07 -1.05 -1.84 121.20 129.38 1lb1 s ILE 10 Ca 0.01 0.56 0.06 0.00 -1.41 0.00 0.00 60.65 59.87 1lb1 s ILE 10 Cb -0.14 -3.67 -0.07 0.00 0.13 0.00 0.00 42.46 38.71 1lb1 s ILE 10 CO -0.05 0.26 0.04 0.68 -1.91 0.00 0.00 174.94 173.96 1lb1 s VAL 11 N 1.34 1.96 0.00 4.00 -7.23 -0.51 -3.98 120.40 115.98 1lb1 s VAL 11 Ca 0.16 -1.95 0.00 0.00 -1.81 0.00 0.00 61.98 58.37 1lb1 s VAL 11 Cb -0.15 -2.91 0.00 0.00 0.56 0.00 0.00 36.38 33.88 1lb1 s VAL 11 CO 0.07 0.00 0.00 0.61 -0.31 0.00 0.00 175.10 175.47 1lb1 n GLY 12 N -1.04 3.11 3.51 2.32 0.00 -1.26 -1.68 105.19 110.15 1lb1 n GLY 12 Ca -0.06 -1.86 -0.38 0.00 0.00 0.00 0.00 46.02 43.72 1lb1 n GLY 12 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lb1 n ASP 13 N 0.00 -0.52 -4.79 1.61 9.92 -1.26 -4.90 116.55 116.61 1lb1 n ASP 13 Ca 0.00 0.76 -0.32 0.00 -0.53 0.00 0.00 54.79 54.70 1lb1 n ASP 13 Cb 0.00 -1.23 0.04 0.00 -0.64 0.00 0.00 41.12 39.29 1lb1 n ASP 13 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1lb1 s GLY 14 N -1.19 1.98 -1.66 0.44 0.00 -1.26 -3.31 107.32 102.32 1lb1 s GLY 14 Ca 0.71 0.36 -0.01 0.00 0.00 0.00 0.00 44.72 45.77 1lb1 s GLY 14 CO 0.52 0.69 0.17 0.00 0.00 0.00 0.00 173.10 174.47 1lb1 n ALA 15 N -2.56 -0.69 0.01 3.20 0.00 -1.26 -4.83 120.51 114.38 1lb1 n ALA 15 Ca 0.09 0.20 0.03 0.00 0.00 0.00 0.00 53.44 53.75 1lb1 n ALA 15 Cb 0.53 -2.60 0.06 0.00 0.00 0.00 0.00 19.45 17.44 1lb1 n ALA 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1lb1 n GLY 17 N 0.11 0.63 0.35 0.00 0.00 -1.26 -4.27 105.19 100.75 1lb1 n GLY 17 Ca 0.05 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 1lb1 n GLY 17 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1lb1 h LYS 18 N 4.45 -0.25 -0.46 1.61 1.57 -1.94 -0.93 116.57 120.61 1lb1 h LYS 18 Ca 0.00 0.02 -0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lb1 h LYS 18 Cb 0.00 0.06 -0.02 0.00 0.08 0.00 0.00 32.23 32.34 1lb1 h LYS 18 CO 0.00 -0.17 0.27 1.15 -0.57 0.00 0.00 179.45 180.13 1lb1 h THR 19 N -0.26 1.14 -0.43 -0.16 2.02 -1.95 -2.58 112.91 110.68 1lb1 h THR 19 Ca 0.07 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.80 1lb1 h THR 19 Cb 0.44 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.34 1lb1 h THR 19 CO -0.51 0.14 -0.25 0.00 0.37 0.00 0.00 175.52 175.27 1lb1 h LEU 21 N 0.75 0.36 -0.73 0.00 5.85 -0.86 0.11 115.31 120.79 1lb1 h LEU 21 Ca 0.09 0.00 -0.04 0.00 0.84 0.00 0.00 57.88 58.78 1lb1 h LEU 21 Cb 0.83 -0.07 -0.03 0.00 0.37 0.00 0.00 40.66 41.75 1lb1 h LEU 21 CO 0.07 0.26 0.31 -0.07 -0.34 0.00 0.00 178.44 178.67 1lb1 h LEU 22 N 0.45 0.98 0.13 2.25 3.38 -1.37 -0.88 115.31 120.25 1lb1 h LEU 22 Ca 0.15 -0.16 -0.00 0.00 0.09 0.00 0.00 57.88 57.96 1lb1 h LEU 22 Cb 0.01 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.50 1lb1 h LEU 22 CO -0.07 0.87 -0.08 0.40 0.09 0.00 0.00 178.44 179.65 1lb1 h ILE 23 N 1.03 0.83 -0.45 1.22 1.08 -0.49 -0.94 117.51 119.79 1lb1 h ILE 23 Ca 0.24 0.00 0.00 0.00 -0.39 0.00 0.00 64.86 64.72 1lb1 h ILE 23 Cb 0.18 0.83 -0.02 0.00 -3.07 0.00 0.00 36.82 34.73 1lb1 h ILE 23 CO -0.02 0.00 0.29 0.58 -0.69 0.00 0.00 178.15 178.30 1lb1 h VAL 24 N -0.20 1.13 0.39 1.67 2.07 -0.58 -1.66 116.25 119.06 1lb1 h VAL 24 Ca -0.01 -0.26 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1lb1 h VAL 24 Cb 0.17 0.50 0.00 0.00 -1.52 0.00 0.00 31.29 30.44 1lb1 h VAL 24 CO 0.01 0.13 -0.19 0.15 0.02 0.00 0.00 177.57 177.69 1lb1 h PHE 25 N 0.60 -0.49 0.00 1.57 3.57 -1.05 1.57 116.94 122.71 1lb1 h PHE 25 Ca 0.16 -0.01 -0.02 0.00 3.53 0.00 0.00 57.97 61.63 1lb1 h PHE 25 Cb -0.04 0.16 -0.00 0.00 2.79 0.00 0.00 35.95 38.86 1lb1 h PHE 25 CO -0.04 -0.21 -0.11 0.66 -2.23 0.00 0.00 178.31 176.39 1lb1 h SER 26 N -0.71 0.00 -0.00 0.41 4.64 -1.16 -2.99 113.55 113.74 1lb1 h SER 26 Ca -0.05 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.27 1lb1 h SER 26 Cb 0.50 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1lb1 h SER 26 CO 0.09 0.11 -0.29 0.29 -0.87 0.00 0.00 176.83 176.15 1lb1 n LYS 27 N -4.10 3.22 -3.90 4.77 5.02 -0.63 -5.02 118.16 117.53 1lb1 n LYS 27 Ca -0.02 -0.27 -0.27 0.00 -2.02 0.00 0.00 58.31 55.72 1lb1 n LYS 27 Cb 0.19 -0.97 0.01 0.00 -0.02 0.00 0.00 35.03 34.24 1lb1 n LYS 27 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1lb1 n ASP 28 N -0.75 -2.44 -3.48 4.39 2.03 0.54 -4.96 116.55 111.87 1lb1 n ASP 28 Ca 0.03 -0.88 0.01 0.00 0.52 0.00 0.00 54.79 54.46 1lb1 n ASP 28 Cb 0.16 -3.58 -0.05 0.00 -0.72 0.00 0.00 41.12 36.92 1lb1 n ASP 28 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1lb1 s GLN 29 N -6.46 0.26 0.01 -0.67 -2.07 -1.13 -5.04 119.66 104.56 1lb1 s GLN 29 Ca 0.32 0.54 -0.30 0.00 -1.82 0.00 0.00 55.36 54.10 1lb1 s GLN 29 Cb -0.16 0.22 -0.05 0.00 -1.09 0.00 0.00 33.01 31.92 1lb1 s GLN 29 CO 0.85 -0.07 1.27 0.12 -1.32 0.00 0.00 175.29 176.14 1lb1 s PHE 30 N 1.86 3.17 0.43 9.60 5.36 -1.26 -4.51 117.98 132.63 1lb1 s PHE 30 Ca -0.05 1.11 -0.26 0.00 -0.96 0.00 0.00 56.93 56.77 1lb1 s PHE 30 Cb -0.04 -3.51 -0.08 0.00 -0.34 0.00 0.00 43.02 39.05 1lb1 s PHE 30 CO -0.15 -1.71 1.38 -2.14 -1.46 0.00 0.00 175.22 171.14 1lb1 s PRO 31 N 1.85 3.79 -0.24 10.12 0.02 -1.26 -4.96 135.00 144.32 1lb1 s PRO 31 Ca 0.60 2.33 -0.13 0.00 0.02 0.00 0.00 61.00 63.81 1lb1 s PRO 31 Cb -0.29 -2.69 -0.10 0.00 0.02 0.00 0.00 34.50 31.44 1lb1 s PRO 31 CO 0.26 -0.70 -0.32 -1.91 -0.33 0.00 0.00 177.00 174.00 1lb1 n GLU 32 N -0.08 0.52 0.01 5.54 2.13 -1.26 -4.84 120.64 122.66 1lb1 n GLU 32 Ca 0.05 0.23 -0.01 0.00 0.66 0.00 0.00 57.16 58.09 1lb1 n GLU 32 Cb 0.42 -1.38 -0.00 0.00 0.27 0.00 0.00 31.44 30.75 1lb1 n GLU 32 CO 0.00 0.00 0.00 -0.39 -0.41 0.00 0.00 177.13 176.33 1lb1 h VAL 33 N -0.89 0.00 -3.32 6.31 -1.51 -2.06 -3.46 116.25 111.32 1lb1 h VAL 33 Ca -0.56 -0.12 -0.67 0.00 -1.23 0.00 0.00 66.70 64.12 1lb1 h VAL 33 Cb 1.48 0.00 -0.30 0.00 -2.13 0.00 0.00 31.29 30.34 1lb1 h VAL 33 CO -0.34 0.00 -0.82 -0.47 -1.23 0.00 0.00 177.57 174.71 1lb1 s TYR 34 N -1.60 2.71 -0.35 5.19 5.04 -1.26 -5.10 117.35 121.98 1lb1 s TYR 34 Ca -0.01 -0.85 -0.18 0.00 -2.44 0.00 0.00 57.07 53.59 1lb1 s TYR 34 Cb 0.00 -1.79 -0.00 0.00 0.35 0.00 0.00 41.96 40.52 1lb1 s TYR 34 CO 0.02 -0.32 0.53 0.08 -1.34 0.00 0.00 175.55 174.52 1lb1 s VAL 35 N 0.39 5.00 0.60 3.14 1.01 -1.26 -4.84 120.40 124.44 1lb1 s VAL 35 Ca -0.14 0.39 -0.18 0.00 0.00 0.00 0.00 61.98 62.05 1lb1 s VAL 35 Cb -0.17 -3.98 -0.07 0.00 0.00 0.00 0.00 36.38 32.17 1lb1 s VAL 35 CO 0.07 -0.22 0.66 -2.65 0.00 0.00 0.00 175.10 172.96 1lb1 n PRO 36 N 5.78 0.59 -0.12 2.72 -0.02 -1.26 -4.92 135.00 137.77 1lb1 n PRO 36 Ca -0.04 0.23 -0.15 0.00 -2.02 0.00 0.00 63.50 61.52 1lb1 n PRO 36 Cb 0.49 -1.87 -0.14 0.00 -0.02 0.00 0.00 33.50 31.97 1lb1 n PRO 36 CO 0.00 0.00 0.00 2.41 1.98 0.00 0.00 175.50 179.89 1lb1 n THR 37 N -1.82 1.46 -3.56 3.45 -1.04 -1.26 -4.83 114.28 106.67 1lb1 n THR 37 Ca 0.12 -0.68 -0.36 0.00 -2.04 0.00 0.00 64.05 61.09 1lb1 n THR 37 Cb 0.48 -1.06 -0.07 0.00 -1.82 0.00 0.00 70.33 67.86 1lb1 n THR 37 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 1lb1 s VAL 38 N -2.51 5.31 -0.36 12.58 1.01 -1.26 -4.99 120.40 130.18 1lb1 s VAL 38 Ca -0.25 0.52 -0.00 0.00 0.00 0.00 0.00 61.98 62.25 1lb1 s VAL 38 Cb 0.08 -3.61 0.13 0.00 0.00 0.00 0.00 36.38 32.97 1lb1 s VAL 38 CO 0.69 0.41 0.20 0.12 0.00 0.00 0.00 175.10 176.52 1lb1 s PHE 39 N 0.30 1.10 0.52 5.22 5.36 -1.26 -5.12 117.98 124.10 1lb1 s PHE 39 Ca 0.16 -1.75 -0.18 0.00 -0.96 0.00 0.00 56.93 54.20 1lb1 s PHE 39 Cb -0.13 -1.25 -0.07 0.00 -0.34 0.00 0.00 43.02 41.23 1lb1 s PHE 39 CO 0.04 -0.82 1.02 -1.21 -1.46 0.00 0.00 175.22 172.79 1lb1 s GLU 40 N 1.07 3.75 -0.44 10.12 2.02 -1.26 -4.33 118.70 129.63 1lb1 s GLU 40 Ca 0.16 1.18 -0.40 0.00 0.02 0.00 0.00 54.97 55.92 1lb1 s GLU 40 Cb -0.22 -2.10 -0.17 0.00 0.10 0.00 0.00 34.13 31.74 1lb1 s GLU 40 CO -0.07 -0.46 1.51 0.09 0.02 0.00 0.00 175.26 176.35 1lb1 n ASN 41 N -1.41 0.97 -4.12 -0.19 4.13 -1.26 -4.93 115.26 108.45 1lb1 n ASN 41 Ca 0.08 0.94 -0.22 0.00 1.68 0.00 0.00 54.58 57.06 1lb1 n ASN 41 Cb 0.53 -0.77 -0.15 0.00 -1.54 0.00 0.00 39.78 37.85 1lb1 n ASN 41 CO 0.00 0.00 0.00 -0.47 0.28 0.00 0.00 177.26 177.07 1lb1 s TYR 42 N 3.22 1.29 -0.27 3.10 5.04 -0.95 -4.97 117.35 123.81 1lb1 s TYR 42 Ca 0.95 -0.27 -0.09 0.00 -2.44 0.00 0.00 57.07 55.22 1lb1 s TYR 42 Cb -1.31 -0.81 -0.03 0.00 0.35 0.00 0.00 41.96 40.15 1lb1 s TYR 42 CO 0.68 -0.01 0.14 0.08 -1.34 0.00 0.00 175.55 175.11 1lb1 s VAL 43 N -0.45 4.83 -0.09 3.14 1.01 -1.26 0.96 120.40 128.54 1lb1 s VAL 43 Ca 0.05 -0.05 -0.03 0.00 0.00 0.00 0.00 61.98 61.95 1lb1 s VAL 43 Cb -0.06 -3.32 -0.03 0.00 0.00 0.00 0.00 36.38 32.97 1lb1 s VAL 43 CO -0.00 0.25 0.03 0.00 0.00 0.00 0.00 175.10 175.38 1lb1 s ALA 44 N 1.68 3.39 -0.32 5.51 0.00 0.12 -4.90 121.76 127.24 1lb1 s ALA 44 Ca 0.06 -0.78 -0.20 0.00 0.00 0.00 0.00 51.96 51.05 1lb1 s ALA 44 Cb -0.16 -1.58 -0.01 0.00 0.00 0.00 0.00 23.12 21.38 1lb1 s ALA 44 CO 0.08 0.58 0.62 -0.51 0.00 0.00 0.00 175.76 176.52 1lb1 s ASP 45 N -0.86 6.46 0.05 0.00 -0.00 -1.26 -0.93 116.67 120.13 1lb1 s ASP 45 Ca 0.13 0.32 0.03 0.00 -0.00 0.00 0.00 52.55 53.03 1lb1 s ASP 45 Cb -0.11 -2.32 -0.02 0.00 -0.00 0.00 0.00 42.92 40.46 1lb1 s ASP 45 CO 0.03 -0.50 -0.09 -0.51 -0.00 0.00 0.00 175.17 174.10 1lb1 s ILE 46 N 2.61 0.61 -0.09 0.77 2.07 -0.88 -5.02 121.20 121.27 1lb1 s ILE 46 Ca 0.24 -1.11 0.00 0.00 -1.41 0.00 0.00 60.65 58.37 1lb1 s ILE 46 Cb -0.15 -0.67 0.02 0.00 0.13 0.00 0.00 42.46 41.80 1lb1 s ILE 46 CO 0.13 -0.36 -0.07 -0.70 -1.91 0.00 0.00 174.94 172.02 1lb1 s GLU 47 N -1.60 1.39 0.02 3.50 2.12 -1.26 -1.37 118.70 121.50 1lb1 s GLU 47 Ca -0.09 -0.23 0.03 0.00 0.36 0.00 0.00 54.97 55.04 1lb1 s GLU 47 Cb -0.10 -1.42 -0.02 0.00 0.26 0.00 0.00 34.13 32.86 1lb1 s GLU 47 CO 0.01 -0.20 -0.09 0.14 -0.54 0.00 0.00 175.26 174.58 1lb1 s VAL 48 N 1.48 0.68 -1.51 3.70 -7.23 -1.11 -4.79 120.40 111.62 1lb1 s VAL 48 Ca -0.00 -0.76 -0.13 0.00 -1.81 0.00 0.00 61.98 59.28 1lb1 s VAL 48 Cb -0.13 -0.65 0.07 0.00 0.56 0.00 0.00 36.38 36.24 1lb1 s VAL 48 CO -0.05 -0.09 1.00 0.47 -0.31 0.00 0.00 175.10 176.12 1lb1 n ASP 49 N 2.11 -4.83 -2.77 4.85 10.43 -1.26 -1.11 116.55 123.97 1lb1 n ASP 49 Ca -0.18 -0.76 -0.18 0.00 2.57 0.00 0.00 54.79 56.25 1lb1 n ASP 49 Cb 0.56 -4.01 0.00 0.00 1.84 0.00 0.00 41.12 39.51 1lb1 n ASP 49 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1lb1 n GLY 50 N -1.72 -0.50 2.97 0.44 0.00 -1.26 -4.96 105.19 100.15 1lb1 n GLY 50 Ca 0.02 0.05 -0.28 0.00 0.00 0.00 0.00 46.02 45.81 1lb1 n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lb1 s LYS 51 N -5.40 1.86 -0.15 1.61 1.02 -0.26 -5.10 119.74 113.31 1lb1 s LYS 51 Ca 0.16 -0.40 -0.29 0.00 0.02 0.00 0.00 55.97 55.46 1lb1 s LYS 51 Cb -0.08 -1.77 -0.02 0.00 -0.52 0.00 0.00 37.83 35.44 1lb1 s LYS 51 CO 0.19 -0.21 1.37 -0.65 -0.92 0.00 0.00 175.35 175.13 1lb1 s GLN 52 N 1.47 4.19 0.02 1.68 -1.52 -1.26 -2.75 119.66 121.49 1lb1 s GLN 52 Ca 0.02 1.76 0.09 0.00 -1.95 0.00 0.00 55.36 55.28 1lb1 s GLN 52 Cb -0.13 -3.83 -0.03 0.00 -0.22 0.00 0.00 33.01 28.80 1lb1 s GLN 52 CO -0.07 -0.78 -0.26 0.08 -0.25 0.00 0.00 175.29 174.00 1lb1 s VAL 53 N 3.74 2.10 -0.60 1.09 1.01 -0.47 -2.48 120.40 124.77 1lb1 s VAL 53 Ca 0.60 -1.28 -0.07 0.00 0.00 0.00 0.00 61.98 61.23 1lb1 s VAL 53 Cb -0.24 -1.77 0.16 0.00 0.00 0.00 0.00 36.38 34.52 1lb1 s VAL 53 CO 0.19 0.44 0.45 -1.61 0.00 0.00 0.00 175.10 174.57 1lb1 s GLU 54 N -1.01 2.68 -0.40 2.72 2.02 0.18 -2.08 118.70 122.80 1lb1 s GLU 54 Ca 0.11 -2.25 -0.25 0.00 0.02 0.00 0.00 54.97 52.60 1lb1 s GLU 54 Cb -0.10 -3.90 0.02 0.00 0.10 0.00 0.00 34.13 30.25 1lb1 s GLU 54 CO 0.01 -1.19 0.88 -1.17 0.02 0.00 0.00 175.26 173.81 1lb1 s LEU 55 N 0.47 4.05 -0.28 1.80 2.96 -0.10 -2.12 118.68 125.46 1lb1 s LEU 55 Ca 0.13 0.32 -0.26 0.00 -0.22 0.00 0.00 54.13 54.10 1lb1 s LEU 55 Cb -0.20 -3.16 0.01 0.00 0.50 0.00 0.00 46.19 43.33 1lb1 s LEU 55 CO -0.04 -0.90 0.92 0.00 -1.32 0.00 0.00 176.35 175.02 1lb1 s ALA 56 N 3.46 3.58 -0.29 5.97 0.00 0.75 0.15 121.76 135.38 1lb1 s ALA 56 Ca 0.35 -0.14 -0.12 0.00 0.00 0.00 0.00 51.96 52.05 1lb1 s ALA 56 Cb -0.12 -3.44 -0.04 0.00 0.00 0.00 0.00 23.12 19.52 1lb1 s ALA 56 CO 0.21 -1.17 0.25 -0.51 0.00 0.00 0.00 175.76 174.53 1lb1 s LEU 57 N 3.15 4.14 -0.24 0.00 1.43 0.27 -0.35 118.68 127.08 1lb1 s LEU 57 Ca 0.39 -0.04 -0.05 0.00 -1.03 0.00 0.00 54.13 53.40 1lb1 s LEU 57 Cb -0.14 -2.20 -0.01 0.00 0.03 0.00 0.00 46.19 43.88 1lb1 s LEU 57 CO 0.11 -0.13 -0.01 0.26 0.23 0.00 0.00 176.35 176.81 1lb1 s TRP 58 N 1.83 3.02 0.51 0.29 0.52 -0.05 -2.24 118.94 122.82 1lb1 s TRP 58 Ca 0.09 -0.93 -0.08 0.00 0.02 0.00 0.00 56.10 55.20 1lb1 s TRP 58 Cb -0.16 -2.14 -0.04 0.00 -1.15 0.00 0.00 33.47 29.97 1lb1 s TRP 58 CO 0.11 -0.54 0.86 0.34 0.02 0.00 0.00 176.95 177.74 1lb1 s ASP 59 N 1.49 6.32 0.00 2.95 2.15 -1.26 -2.52 116.67 125.80 1lb1 s ASP 59 Ca 0.05 1.14 0.00 0.00 0.43 0.00 0.00 52.55 54.17 1lb1 s ASP 59 Cb -0.15 -2.34 0.00 0.00 -0.30 0.00 0.00 42.92 40.13 1lb1 s ASP 59 CO -0.02 -0.63 0.51 0.35 -0.17 0.00 0.00 175.17 175.21 1lb1 n THR 60 N -2.18 0.26 -1.68 1.71 -2.24 -1.26 -4.91 114.28 103.98 1lb1 n THR 60 Ca 0.03 -0.38 -0.45 0.00 -2.27 0.00 0.00 64.05 60.98 1lb1 n THR 60 Cb 0.55 1.12 -0.03 0.00 -2.10 0.00 0.00 70.33 69.86 1lb1 n THR 60 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1lb1 n ALA 61 N -0.13 1.32 0.00 6.98 0.00 -1.26 -1.81 120.51 125.62 1lb1 n ALA 61 Ca 0.00 0.41 0.00 0.00 0.00 0.00 0.00 53.44 53.85 1lb1 n ALA 61 Cb 0.25 -2.31 0.00 0.00 0.00 0.00 0.00 19.45 17.39 1lb1 n ALA 61 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1lb1 n GLY 62 N 2.32 0.45 0.16 0.00 0.00 -1.26 -4.91 105.19 101.95 1lb1 n GLY 62 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 46.02 46.15 1lb1 n GLY 62 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lb1 n GLN 63 N -2.00 1.90 -0.26 1.61 10.64 -0.75 -4.74 117.38 123.78 1lb1 n GLN 63 Ca 0.00 -1.36 0.21 0.00 -1.83 0.00 0.00 57.00 54.02 1lb1 n GLN 63 Cb 0.00 -1.07 0.53 0.00 -0.86 0.00 0.00 30.24 28.84 1lb1 n GLN 63 CO 0.00 0.00 0.00 0.93 -1.83 0.00 0.00 177.06 176.16 1lb1 h GLU 64 N 0.56 0.37 -0.09 2.61 3.07 -1.91 -1.41 114.58 117.78 1lb1 h GLU 64 Ca 0.00 -0.02 0.00 0.00 -0.50 0.00 0.00 59.36 58.84 1lb1 h GLU 64 Cb 0.43 -0.08 0.00 0.00 -0.84 0.00 0.00 28.75 28.26 1lb1 h GLU 64 CO 0.00 0.24 0.00 -0.25 -1.40 0.00 0.00 179.01 177.60 1lb1 n ASP 65 N -4.51 1.21 -4.00 1.42 10.43 -1.26 -4.68 116.55 115.15 1lb1 n ASP 65 Ca 0.21 -1.56 -0.31 0.00 2.57 0.00 0.00 54.79 55.69 1lb1 n ASP 65 Cb 0.76 -0.06 -0.14 0.00 1.84 0.00 0.00 41.12 43.52 1lb1 n ASP 65 CO 0.00 0.00 0.00 -0.31 -1.07 0.00 0.00 177.20 175.82 1lb1 s TYR 66 N -1.89 3.55 0.19 1.24 1.51 -0.53 -4.97 117.35 116.45 1lb1 s TYR 66 Ca 0.34 -3.05 0.34 0.00 -1.01 0.00 0.00 57.07 53.69 1lb1 s TYR 66 Cb 0.18 -2.90 1.72 0.00 -0.11 0.00 0.00 41.96 40.84 1lb1 s TYR 66 CO 0.28 -0.88 2.03 0.38 -1.11 0.00 0.00 175.55 176.25 1lb1 h ASP 67 N 7.22 0.00 -0.01 2.29 2.03 -1.83 -1.05 116.42 125.07 1lb1 h ASP 67 Ca -0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.24 1lb1 h ASP 67 Cb 0.97 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.47 1lb1 h ASP 67 CO 0.59 0.00 -0.51 0.54 -1.03 0.00 0.00 179.24 178.83 1lb1 n ARG 68 N -2.77 1.45 -0.06 4.15 5.12 -1.26 -4.28 116.66 119.00 1lb1 n ARG 68 Ca -0.01 -0.63 -0.03 0.00 -1.93 0.00 0.00 57.85 55.25 1lb1 n ARG 68 Cb 0.13 -1.34 -0.13 0.00 -1.16 0.00 0.00 32.46 29.96 1lb1 n ARG 68 CO 0.00 0.00 0.00 1.28 -1.93 0.00 0.00 177.63 176.98 1lb1 n LEU 69 N -0.46 0.00 -0.12 0.55 4.77 -0.97 -4.56 117.00 116.21 1lb1 n LEU 69 Ca 0.06 0.00 -0.07 0.00 -0.03 0.00 0.00 56.01 55.97 1lb1 n LEU 69 Cb 0.35 0.28 0.01 0.00 -2.33 0.00 0.00 43.42 41.74 1lb1 n LEU 69 CO 0.26 0.28 1.01 -0.09 -1.33 0.00 0.00 177.39 177.53 1lb1 h ARG 70 N 0.00 0.44 0.00 3.23 2.43 -1.39 -2.89 114.38 116.20 1lb1 h ARG 70 Ca -0.31 -0.03 -0.01 0.00 -0.81 0.00 0.00 59.98 58.82 1lb1 h ARG 70 Cb 1.65 -0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 31.10 1lb1 h ARG 70 CO 0.02 0.29 -0.03 -1.35 -1.51 0.00 0.00 179.97 177.39 1lb1 h PRO 71 N 0.45 0.00 0.00 0.20 0.11 -1.80 -2.54 132.00 128.41 1lb1 h PRO 71 Ca 0.15 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.26 1lb1 h PRO 71 Cb 0.01 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.12 1lb1 h PRO 71 CO -0.08 0.03 0.11 -0.07 -0.21 0.00 0.00 178.00 177.79 1lb1 h LEU 72 N 0.00 0.00 0.00 2.35 4.07 -1.77 -1.50 115.31 118.46 1lb1 h LEU 72 Ca -0.00 0.00 -0.05 0.00 0.08 0.00 0.00 57.88 57.91 1lb1 h LEU 72 Cb 0.14 0.00 -0.01 0.00 1.08 0.00 0.00 40.66 41.88 1lb1 h LEU 72 CO 0.00 0.00 -1.47 -1.20 -1.08 0.00 0.00 178.44 174.70 1lb1 n SER 73 N -2.49 0.53 0.23 -0.43 7.64 -0.96 -4.51 113.62 113.63 1lb1 n SER 73 Ca -0.02 0.21 0.09 0.00 1.01 0.00 0.00 58.87 60.17 1lb1 n SER 73 Cb 0.15 0.94 0.54 0.00 -1.01 0.00 0.00 64.21 64.83 1lb1 n SER 73 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1lb1 h TYR 74 N 0.00 0.00 -2.00 1.43 0.05 -1.44 -3.47 116.97 111.54 1lb1 h TYR 74 Ca -0.05 0.00 -0.63 0.00 0.05 0.00 0.00 58.73 58.09 1lb1 h TYR 74 Cb 1.16 0.00 0.10 0.00 1.01 0.00 0.00 36.73 39.00 1lb1 h TYR 74 CO 0.00 0.22 0.03 -2.30 -1.05 0.00 0.00 178.16 175.07 1lb1 n PRO 75 N -3.66 1.00 -4.04 4.88 -0.02 -1.26 -2.62 135.00 129.29 1lb1 n PRO 75 Ca -0.01 0.35 -0.29 0.00 -2.02 0.00 0.00 63.50 61.53 1lb1 n PRO 75 Cb 0.35 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 32.12 1lb1 n PRO 75 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 1lb1 n ASP 76 N 1.60 -1.25 -4.71 2.55 9.92 -1.26 -4.95 116.55 118.45 1lb1 n ASP 76 Ca 0.13 -1.01 -0.38 0.00 -0.53 0.00 0.00 54.79 53.00 1lb1 n ASP 76 Cb 0.28 -2.95 -0.06 0.00 -0.64 0.00 0.00 41.12 37.75 1lb1 n ASP 76 CO 0.00 0.00 0.00 -0.89 0.13 0.00 0.00 177.20 176.44 1lb1 s THR 77 N -3.77 5.14 0.01 -3.53 2.01 -1.08 -4.67 115.64 109.76 1lb1 s THR 77 Ca 0.23 1.06 0.07 0.00 0.31 0.00 0.00 61.69 63.36 1lb1 s THR 77 Cb -0.12 -3.87 -0.23 0.00 0.01 0.00 0.00 72.50 68.29 1lb1 s THR 77 CO 0.90 0.28 0.88 0.44 -0.69 0.00 0.00 174.62 176.43 1lb1 h ASP 78 N 6.86 0.08 -4.47 3.53 3.32 -1.48 -3.48 116.42 120.80 1lb1 h ASP 78 Ca -0.40 -0.13 -0.11 0.00 0.02 0.00 0.00 57.03 56.42 1lb1 h ASP 78 Cb 1.18 -0.03 -0.22 0.00 0.22 0.00 0.00 39.33 40.48 1lb1 h ASP 78 CO 0.75 1.11 -0.17 0.54 -1.72 0.00 0.00 179.24 179.75 1lb1 s VAL 79 N -2.64 0.02 -0.19 -1.35 0.11 -0.95 -4.30 120.40 111.11 1lb1 s VAL 79 Ca -0.04 -0.18 -0.01 0.00 -2.93 0.00 0.00 61.98 58.82 1lb1 s VAL 79 Cb 0.08 -0.67 0.01 0.00 -1.53 0.00 0.00 36.38 34.27 1lb1 s VAL 79 CO 0.83 -0.10 -0.14 -0.63 -3.33 0.00 0.00 175.10 171.73 1lb1 s ILE 80 N -0.56 2.60 -0.89 7.04 1.01 -0.49 -2.42 121.20 127.50 1lb1 s ILE 80 Ca -0.07 -0.76 -0.17 0.00 0.00 0.00 0.00 60.65 59.65 1lb1 s ILE 80 Cb -0.03 -2.13 0.16 0.00 0.01 0.00 0.00 42.46 40.47 1lb1 s ILE 80 CO 0.03 0.50 1.01 -0.76 0.00 0.00 0.00 174.94 175.73 1lb1 s LEU 81 N 1.23 5.57 -0.24 2.97 1.43 -0.77 -1.03 118.68 127.85 1lb1 s LEU 81 Ca 0.03 -2.23 -0.23 0.00 -1.03 0.00 0.00 54.13 50.67 1lb1 s LEU 81 Cb -0.14 -2.34 -0.01 0.00 0.03 0.00 0.00 46.19 43.73 1lb1 s LEU 81 CO -0.07 -0.92 0.74 -0.32 0.23 0.00 0.00 176.35 176.02 1lb1 s MET 82 N 1.93 4.17 0.12 1.70 1.75 -1.02 -1.43 119.30 126.53 1lb1 s MET 82 Ca 0.28 0.79 0.01 0.00 -1.25 0.00 0.00 55.69 55.52 1lb1 s MET 82 Cb -0.07 -3.64 -0.04 0.00 2.84 0.00 0.00 34.83 33.92 1lb1 s MET 82 CO -0.09 -0.44 -0.03 0.00 -0.65 0.00 0.00 175.02 173.81 1lb1 s PHE 84 N -3.69 1.68 -0.17 0.00 -0.71 -0.40 -4.17 117.98 110.51 1lb1 s PHE 84 Ca 0.17 -1.11 -0.12 0.00 -1.04 0.00 0.00 56.93 54.82 1lb1 s PHE 84 Cb 0.06 -1.02 -0.05 0.00 -1.21 0.00 0.00 43.02 40.80 1lb1 s PHE 84 CO -0.01 -0.23 0.24 0.45 -1.34 0.00 0.00 175.22 174.32 1lb1 s SER 85 N -3.37 6.36 0.41 1.98 0.15 -1.26 -1.16 113.70 116.81 1lb1 s SER 85 Ca 0.37 0.41 0.15 0.00 0.70 0.00 0.00 55.95 57.58 1lb1 s SER 85 Cb 0.08 -2.15 1.01 0.00 -1.71 0.00 0.00 66.02 63.25 1lb1 s SER 85 CO 0.14 0.13 1.91 0.40 1.20 0.00 0.00 173.24 177.02 1lb1 h ILE 86 N 4.67 0.80 -0.71 6.45 1.08 -0.95 -1.05 117.51 127.81 1lb1 h ILE 86 Ca -0.41 -0.16 -0.43 0.00 -0.39 0.00 0.00 64.86 63.46 1lb1 h ILE 86 Cb 1.16 0.30 -0.21 0.00 -3.07 0.00 0.00 36.82 35.00 1lb1 h ILE 86 CO 0.76 0.08 0.56 -0.90 -0.69 0.00 0.00 178.15 177.96 1lb1 n ASP 87 N -4.49 5.62 -3.03 1.72 5.75 -1.26 -0.48 116.55 120.38 1lb1 n ASP 87 Ca 0.15 -3.29 -0.03 0.00 -0.01 0.00 0.00 54.79 51.61 1lb1 n ASP 87 Cb 0.52 -0.91 -0.01 0.00 -1.03 0.00 0.00 41.12 39.70 1lb1 n ASP 87 CO 0.00 0.00 0.00 -0.55 -0.11 0.00 0.00 177.20 176.54 1lb1 s SER 88 N -0.67 -1.21 0.18 -1.12 0.15 -0.40 -4.97 113.70 105.66 1lb1 s SER 88 Ca 0.44 -1.33 0.12 0.00 0.70 0.00 0.00 55.95 55.88 1lb1 s SER 88 Cb 0.35 1.76 0.67 0.00 -1.71 0.00 0.00 66.02 67.09 1lb1 s SER 88 CO 0.03 -0.12 1.38 -0.81 1.20 0.00 0.00 173.24 174.91 1lb1 n PRO 89 N 3.71 0.08 0.00 5.44 -0.04 -1.26 -1.57 135.00 141.37 1lb1 n PRO 89 Ca 0.15 0.58 -0.13 0.00 -0.04 0.00 0.00 63.50 64.06 1lb1 n PRO 89 Cb 0.55 -1.76 -0.10 0.00 -0.04 0.00 0.00 33.50 32.15 1lb1 n PRO 89 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1lb1 h ASP 90 N 0.00 -0.06 -0.65 3.54 3.45 -1.93 -2.73 116.42 118.04 1lb1 h ASP 90 Ca 0.00 -0.52 0.09 0.00 0.43 0.00 0.00 57.03 57.03 1lb1 h ASP 90 Cb 0.00 0.02 -0.04 0.00 -0.56 0.00 0.00 39.33 38.75 1lb1 h ASP 90 CO 0.00 0.52 0.43 0.77 -1.57 0.00 0.00 179.24 179.39 1lb1 h SER 91 N -0.67 0.47 -0.54 6.45 4.64 -1.61 -0.55 113.55 121.73 1lb1 h SER 91 Ca -0.01 0.01 -0.10 0.00 -0.47 0.00 0.00 61.79 61.22 1lb1 h SER 91 Cb 0.58 -0.09 -0.02 0.00 -0.31 0.00 0.00 62.40 62.56 1lb1 h SER 91 CO 0.01 0.29 -0.06 0.25 -0.87 0.00 0.00 176.83 176.45 1lb1 h LEU 92 N 0.53 1.00 -2.34 5.97 6.46 -1.51 -2.56 115.31 122.85 1lb1 h LEU 92 Ca 0.30 -0.31 -0.01 0.00 -0.12 0.00 0.00 57.88 57.74 1lb1 h LEU 92 Cb 0.47 -0.27 -0.00 0.00 -0.73 0.00 0.00 40.66 40.12 1lb1 h LEU 92 CO -0.09 1.09 -0.03 -0.08 -0.62 0.00 0.00 178.44 178.70 1lb1 h GLU 93 N 0.92 0.00 0.00 1.25 4.57 -0.77 -1.15 114.58 119.40 1lb1 h GLU 93 Ca 0.15 0.00 -0.13 0.00 -1.18 0.00 0.00 59.36 58.20 1lb1 h GLU 93 Cb 0.61 0.00 -0.02 0.00 -0.16 0.00 0.00 28.75 29.18 1lb1 h GLU 93 CO 0.04 0.03 -0.63 -0.91 -1.18 0.00 0.00 179.01 176.36 1lb1 h ASN 94 N 0.00 0.00 -0.61 1.04 2.35 -1.30 -2.86 115.58 114.21 1lb1 h ASN 94 Ca -0.00 0.00 0.12 0.00 -0.55 0.00 0.00 56.30 55.87 1lb1 h ASN 94 Cb 0.09 0.00 -0.12 0.00 0.05 0.00 0.00 38.32 38.35 1lb1 h ASN 94 CO 0.00 0.63 -0.15 0.40 -1.65 0.00 0.00 177.43 176.66 1lb1 h ILE 95 N 0.00 0.39 0.05 2.81 1.08 -1.18 0.79 117.51 121.45 1lb1 h ILE 95 Ca -0.01 0.00 -0.31 0.00 -0.39 0.00 0.00 64.86 64.16 1lb1 h ILE 95 Cb 1.32 0.39 -0.03 0.00 -3.07 0.00 0.00 36.82 35.42 1lb1 h ILE 95 CO 0.08 0.00 -1.71 1.55 -0.69 0.00 0.00 178.15 177.38 1lb1 h PRO 96 N -0.00 0.10 -0.15 2.37 0.13 -1.70 0.20 132.00 132.95 1lb1 h PRO 96 Ca 0.29 -0.17 -0.19 0.00 -0.87 0.00 0.00 66.00 65.06 1lb1 h PRO 96 Cb 0.44 0.06 0.00 0.00 0.13 0.00 0.00 31.00 31.64 1lb1 h PRO 96 CO -0.62 0.79 -0.69 1.49 -0.23 0.00 0.00 178.00 178.73 1lb1 h GLU 97 N 0.03 0.63 0.00 0.86 4.57 -1.23 -3.40 114.58 116.05 1lb1 h GLU 97 Ca -0.30 -0.48 0.00 0.00 -1.18 0.00 0.00 59.36 57.40 1lb1 h GLU 97 Cb 2.00 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 30.68 1lb1 h GLU 97 CO 0.10 1.10 0.00 1.17 -1.18 0.00 0.00 179.01 180.20 1lb1 n LYS 98 N -3.92 0.00 0.07 1.92 4.81 0.27 -4.83 118.16 116.48 1lb1 n LYS 98 Ca -0.05 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.26 1lb1 n LYS 98 Cb 0.69 -0.06 -0.05 0.00 0.02 0.00 0.00 35.03 35.63 1lb1 n LYS 98 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1lb1 h TRP 99 N 0.00 -0.91 -0.19 5.64 4.06 -1.47 -3.10 115.95 119.97 1lb1 h TRP 99 Ca 0.00 0.03 0.05 0.00 2.06 0.00 0.00 58.89 61.03 1lb1 h TRP 99 Cb 0.00 0.40 -0.06 0.00 -1.00 0.00 0.00 29.16 28.50 1lb1 h TRP 99 CO 0.00 -0.43 -0.17 1.15 -3.56 0.00 0.00 178.44 175.43 1lb1 h THR 100 N -0.50 0.53 -0.86 1.49 2.02 -1.17 0.16 112.91 114.59 1lb1 h THR 100 Ca 0.05 0.00 0.12 0.00 0.77 0.00 0.00 66.41 67.35 1lb1 h THR 100 Cb 0.57 0.53 -0.06 0.00 -1.74 0.00 0.00 68.15 67.45 1lb1 h THR 100 CO -0.26 0.00 0.56 -0.65 0.37 0.00 0.00 175.52 175.54 1lb1 h PRO 101 N -0.19 0.73 0.14 6.66 0.11 -1.76 -0.31 132.00 137.39 1lb1 h PRO 101 Ca 0.12 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.18 1lb1 h PRO 101 Cb 0.36 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.31 1lb1 h PRO 101 CO -0.30 0.48 -0.07 1.49 -0.21 0.00 0.00 178.00 179.39 1lb1 h GLU 102 N 0.75 -0.18 -0.61 1.05 4.81 -1.24 -2.59 114.58 116.57 1lb1 h GLU 102 Ca 0.42 0.01 0.12 0.00 -0.13 0.00 0.00 59.36 59.78 1lb1 h GLU 102 Cb 0.57 0.04 -0.04 0.00 0.63 0.00 0.00 28.75 29.95 1lb1 h GLU 102 CO -0.18 0.27 0.42 0.28 -0.73 0.00 0.00 179.01 179.07 1lb1 h VAL 103 N -0.81 0.83 0.00 0.32 2.07 -0.47 -0.75 116.25 117.44 1lb1 h VAL 103 Ca -0.02 -0.10 -0.07 0.00 0.82 0.00 0.00 66.70 67.33 1lb1 h VAL 103 Cb 0.54 0.50 -0.01 0.00 -1.52 0.00 0.00 31.29 30.80 1lb1 h VAL 103 CO 0.03 0.05 -0.32 0.11 0.02 0.00 0.00 177.57 177.46 1lb1 h LYS 104 N 0.30 0.00 0.19 1.57 1.57 -1.07 -1.33 116.57 117.80 1lb1 h LYS 104 Ca 0.29 0.00 -0.32 0.00 -1.87 0.00 0.00 60.65 58.75 1lb1 h LYS 104 Cb 0.73 0.00 0.02 0.00 0.08 0.00 0.00 32.23 33.06 1lb1 h LYS 104 CO -0.07 0.32 -1.48 1.25 -0.57 0.00 0.00 179.45 178.91 1lb1 h HIS 105 N 0.00 0.73 0.00 -1.35 2.76 -0.74 -3.12 115.15 113.43 1lb1 h HIS 105 Ca -0.00 -0.53 -0.16 0.00 -2.20 0.00 0.00 60.37 57.47 1lb1 h HIS 105 Cb 1.24 -0.03 -0.03 0.00 1.55 0.00 0.00 27.41 30.14 1lb1 h HIS 105 CO 0.00 1.48 -1.68 1.19 -1.30 0.00 0.00 177.93 177.62 1lb1 n PHE 106 N -3.60 0.60 -2.80 5.26 3.72 -0.80 -4.49 117.46 115.34 1lb1 n PHE 106 Ca -0.16 0.20 -0.25 0.00 -0.05 0.00 0.00 57.45 57.19 1lb1 n PHE 106 Cb 1.07 -0.94 -0.02 0.00 -0.94 0.00 0.00 39.48 38.65 1lb1 n PHE 106 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1lb1 n PRO 108 N -0.25 1.75 -1.57 0.00 -0.04 -1.18 -2.01 135.00 131.71 1lb1 n PRO 108 Ca 0.31 0.62 -0.19 0.00 -0.04 0.00 0.00 63.50 64.20 1lb1 n PRO 108 Cb 0.54 -2.19 -0.08 0.00 -0.04 0.00 0.00 33.50 31.73 1lb1 n PRO 108 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1lb1 n ASN 109 N 0.63 -5.07 -4.66 3.54 3.02 -1.26 -4.95 115.26 106.51 1lb1 n ASN 109 Ca 0.07 0.47 -0.38 0.00 -0.03 0.00 0.00 54.58 54.72 1lb1 n ASN 109 Cb 0.37 -4.51 -0.08 0.00 -0.61 0.00 0.00 39.78 34.95 1lb1 n ASN 109 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lb1 s VAL 110 N -2.63 5.26 0.31 2.41 1.01 -0.85 -5.04 120.40 120.86 1lb1 s VAL 110 Ca 0.00 0.48 -0.29 0.00 0.00 0.00 0.00 61.98 62.18 1lb1 s VAL 110 Cb 0.00 -3.63 -0.13 0.00 0.00 0.00 0.00 36.38 32.62 1lb1 s VAL 110 CO 0.00 0.28 1.25 -0.81 0.00 0.00 0.00 175.10 175.83 1lb1 n PRO 111 N 4.45 1.93 -5.16 2.72 -0.04 -1.26 -4.79 135.00 132.84 1lb1 n PRO 111 Ca -0.11 0.68 -0.32 0.00 -0.04 0.00 0.00 63.50 63.71 1lb1 n PRO 111 Cb 0.51 -2.23 -0.17 0.00 -0.04 0.00 0.00 33.50 31.58 1lb1 n PRO 111 CO 0.00 0.00 0.00 0.42 -0.04 0.00 0.00 175.50 175.88 1lb1 s ILE 112 N -0.86 2.19 -0.39 0.52 1.01 -1.26 -1.39 121.20 121.02 1lb1 s ILE 112 Ca 0.59 -0.97 -0.05 0.00 0.00 0.00 0.00 60.65 60.21 1lb1 s ILE 112 Cb -0.62 -1.85 0.08 0.00 0.01 0.00 0.00 42.46 40.09 1lb1 s ILE 112 CO 0.59 0.56 0.18 -0.63 0.00 0.00 0.00 174.94 175.64 1lb1 s ILE 113 N 0.33 3.61 0.24 2.92 -1.09 -0.20 0.95 121.20 127.96 1lb1 s ILE 113 Ca -0.18 -1.65 -0.30 0.00 -2.23 0.00 0.00 60.65 56.29 1lb1 s ILE 113 Cb -0.18 -3.28 -0.09 0.00 -1.58 0.00 0.00 42.46 37.33 1lb1 s ILE 113 CO 0.08 -0.50 1.31 -0.22 -1.23 0.00 0.00 174.94 174.39 1lb1 s LEU 114 N 1.28 4.42 -0.01 2.97 2.96 -0.75 -2.45 118.68 127.11 1lb1 s LEU 114 Ca 0.03 2.48 0.02 0.00 -0.22 0.00 0.00 54.13 56.45 1lb1 s LEU 114 Cb -0.22 -3.62 -0.01 0.00 0.50 0.00 0.00 46.19 42.84 1lb1 s LEU 114 CO -0.01 -0.52 -0.08 -0.69 -1.32 0.00 0.00 176.35 173.73 1lb1 s VAL 115 N -0.24 0.63 -0.34 1.68 1.01 -0.20 -2.06 120.40 120.89 1lb1 s VAL 115 Ca 0.55 -0.34 -0.06 0.00 0.00 0.00 0.00 61.98 62.13 1lb1 s VAL 115 Cb -0.37 -0.54 0.05 0.00 0.00 0.00 0.00 36.38 35.52 1lb1 s VAL 115 CO 0.42 0.18 0.10 -0.83 0.00 0.00 0.00 175.10 174.97 1lb1 s GLY 116 N -0.15 1.85 0.52 4.51 0.00 0.46 -1.28 107.32 113.23 1lb1 s GLY 116 Ca 0.03 -1.82 -0.05 0.00 0.00 0.00 0.00 44.72 42.87 1lb1 s GLY 116 CO -0.00 0.79 0.83 -1.31 0.00 0.00 0.00 173.10 173.40 1lb1 s ASN 117 N 1.46 5.98 -1.29 1.64 0.01 -0.31 -2.06 114.94 120.36 1lb1 s ASN 117 Ca -0.01 0.81 -0.04 0.00 -0.71 0.00 0.00 52.86 52.91 1lb1 s ASN 117 Cb -0.20 -2.00 0.01 0.00 0.41 0.00 0.00 41.25 39.47 1lb1 s ASN 117 CO 0.02 -0.77 0.98 0.29 -1.51 0.00 0.00 177.10 176.11 1lb1 n LYS 118 N -2.38 -6.51 0.12 -0.60 5.02 -1.00 -0.39 118.16 112.42 1lb1 n LYS 118 Ca 0.02 0.77 0.04 0.00 -2.02 0.00 0.00 58.31 57.12 1lb1 n LYS 118 Cb 0.56 -5.69 0.44 0.00 -0.02 0.00 0.00 35.03 30.32 1lb1 n LYS 118 CO 0.00 0.00 0.00 1.57 -0.52 0.00 0.00 177.40 178.45 1lb1 h LYS 119 N -2.11 0.26 -0.06 1.97 2.10 -1.54 -2.20 116.57 114.98 1lb1 h LYS 119 Ca -0.59 -0.04 0.02 0.00 -2.00 0.00 0.00 60.65 58.04 1lb1 h LYS 119 Cb 1.35 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 32.64 1lb1 h LYS 119 CO 0.54 0.31 0.13 0.38 -2.00 0.00 0.00 179.45 178.81 1lb1 h ASP 120 N 0.26 0.00 -0.08 7.07 2.03 -1.90 -0.46 116.42 123.33 1lb1 h ASP 120 Ca 0.06 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.36 1lb1 h ASP 120 Cb 0.22 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.72 1lb1 h ASP 120 CO 0.01 0.00 0.00 0.18 -1.03 0.00 0.00 179.24 178.40 1lb1 n LEU 121 N -3.39 0.86 -0.00 0.15 4.32 -0.83 -3.78 117.00 114.33 1lb1 n LEU 121 Ca -0.01 -0.35 -0.17 0.00 -0.02 0.00 0.00 56.01 55.46 1lb1 n LEU 121 Cb 0.22 -0.05 -0.06 0.00 -1.62 0.00 0.00 43.42 41.90 1lb1 n LEU 121 CO 0.22 0.18 0.24 -0.09 -1.22 0.00 0.00 177.39 176.72 1lb1 h ARG 122 N 1.16 0.73 -0.02 3.23 2.43 -1.24 -3.19 114.38 117.48 1lb1 h ARG 122 Ca 0.00 -0.62 0.00 0.00 -0.81 0.00 0.00 59.98 58.55 1lb1 h ARG 122 Cb 0.25 0.14 0.00 0.00 -0.42 0.00 0.00 29.97 29.94 1lb1 h ARG 122 CO 0.00 1.23 -0.15 0.27 -1.51 0.00 0.00 179.97 179.81 1lb1 n ASN 123 N -3.90 1.85 -4.66 -3.80 0.23 -1.25 -4.87 115.26 98.86 1lb1 n ASN 123 Ca -0.08 -1.48 -0.43 0.00 -0.53 0.00 0.00 54.58 52.07 1lb1 n ASN 123 Cb 0.77 0.12 -0.02 0.00 -2.08 0.00 0.00 39.78 38.56 1lb1 n ASN 123 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1lb1 s ASP 124 N -2.20 6.77 0.22 0.53 2.15 -1.20 -4.91 116.67 118.01 1lb1 s ASP 124 Ca 0.29 1.88 -0.07 0.00 0.43 0.00 0.00 52.55 55.08 1lb1 s ASP 124 Cb 0.20 -2.54 0.17 0.00 -0.30 0.00 0.00 42.92 40.46 1lb1 s ASP 124 CO 0.41 -0.89 1.74 1.05 -0.17 0.00 0.00 175.17 177.31 1lb1 h GLU 125 N 9.03 1.08 -0.34 4.34 4.11 -1.90 -2.24 114.58 128.66 1lb1 h GLU 125 Ca -0.32 -0.26 0.07 0.00 0.07 0.00 0.00 59.36 58.92 1lb1 h GLU 125 Cb 1.14 -0.14 -0.07 0.00 0.50 0.00 0.00 28.75 30.18 1lb1 h GLU 125 CO 0.97 0.96 -0.11 1.25 0.07 0.00 0.00 179.01 182.15 1lb1 h HIS 126 N 1.03 -0.24 -0.05 2.06 2.76 -1.96 0.15 115.15 118.90 1lb1 h HIS 126 Ca 0.21 0.03 -0.12 0.00 -2.20 0.00 0.00 60.37 58.30 1lb1 h HIS 126 Cb 0.37 0.16 -0.01 0.00 1.55 0.00 0.00 27.41 29.47 1lb1 h HIS 126 CO 0.03 -0.17 -0.52 1.79 -1.30 0.00 0.00 177.93 177.75 1lb1 h THR 127 N -0.03 1.37 -0.60 6.26 1.35 -1.85 -2.06 112.91 117.34 1lb1 h THR 127 Ca 0.17 -1.79 -0.05 0.00 -0.55 0.00 0.00 66.41 64.18 1lb1 h THR 127 Cb 0.28 1.91 -0.03 0.00 -1.73 0.00 0.00 68.15 68.59 1lb1 h THR 127 CO -0.37 0.52 0.16 0.03 -0.25 0.00 0.00 175.52 175.62 1lb1 h ARG 128 N 0.10 0.93 0.64 4.72 3.08 -0.68 -1.14 114.38 122.03 1lb1 h ARG 128 Ca 0.00 -0.19 -0.03 0.00 0.07 0.00 0.00 59.98 59.83 1lb1 h ARG 128 Cb 0.96 -0.14 0.01 0.00 0.08 0.00 0.00 29.97 30.87 1lb1 h ARG 128 CO 0.07 0.82 -0.31 -0.09 -1.07 0.00 0.00 179.97 179.40 1lb1 h ARG 129 N 0.89 -0.82 -0.89 0.04 2.43 -0.43 -2.33 114.38 113.27 1lb1 h ARG 129 Ca 0.20 0.06 0.17 0.00 -0.81 0.00 0.00 59.98 59.59 1lb1 h ARG 129 Cb 0.30 0.19 -0.10 0.00 -0.42 0.00 0.00 29.97 29.93 1lb1 h ARG 129 CO -0.00 -0.53 0.46 0.93 -1.51 0.00 0.00 179.97 179.32 1lb1 h GLU 130 N -1.18 0.58 -0.24 0.20 4.39 -1.34 -1.29 114.58 115.70 1lb1 h GLU 130 Ca -0.09 -0.04 -0.01 0.00 0.34 0.00 0.00 59.36 59.57 1lb1 h GLU 130 Cb 0.68 -0.13 -0.01 0.00 -0.10 0.00 0.00 28.75 29.19 1lb1 h GLU 130 CO 0.14 0.39 0.12 -0.07 -1.16 0.00 0.00 179.01 178.43 1lb1 h LEU 131 N 0.60 0.32 -0.71 1.33 3.38 -1.23 -2.93 115.31 116.06 1lb1 h LEU 131 Ca 0.51 -0.12 0.16 0.00 0.09 0.00 0.00 57.88 58.51 1lb1 h LEU 131 Cb 0.79 -0.08 -0.12 0.00 0.09 0.00 0.00 40.66 41.34 1lb1 h LEU 131 CO -0.40 0.35 0.04 0.00 0.09 0.00 0.00 178.44 178.52 1lb1 h ALA 132 N 0.98 0.77 -0.96 1.53 0.00 -0.51 0.34 119.26 121.42 1lb1 h ALA 132 Ca 0.08 0.21 0.16 0.00 0.00 0.00 0.00 54.91 55.37 1lb1 h ALA 132 Cb 0.11 0.36 -0.09 0.00 0.00 0.00 0.00 17.79 18.17 1lb1 h ALA 132 CO -0.01 -0.40 0.61 0.87 0.00 0.00 0.00 179.25 180.31 1lb1 h LYS 133 N 0.14 0.73 -0.10 0.00 1.57 -1.30 0.81 116.57 118.42 1lb1 h LYS 133 Ca 0.39 -0.04 0.00 0.00 -1.87 0.00 0.00 60.65 59.13 1lb1 h LYS 133 Cb 0.67 -0.16 0.00 0.00 0.08 0.00 0.00 32.23 32.82 1lb1 h LYS 133 CO -0.60 0.48 0.00 -1.33 -0.57 0.00 0.00 179.45 177.44 1lb1 n MET 134 N -4.63 1.35 -3.11 3.15 2.81 0.11 -4.88 117.12 111.92 1lb1 n MET 134 Ca 0.20 -0.54 -0.14 0.00 -1.81 0.00 0.00 57.70 55.42 1lb1 n MET 134 Cb 0.51 -1.29 0.05 0.00 -0.71 0.00 0.00 33.22 31.78 1lb1 n MET 134 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 1lb1 n LYS 135 N -0.20 -4.72 -4.16 0.03 4.76 0.28 -5.03 118.16 109.11 1lb1 n LYS 135 Ca 0.13 0.51 -0.11 0.00 -2.87 0.00 0.00 58.31 55.97 1lb1 n LYS 135 Cb 0.18 -4.58 -0.10 0.00 -1.84 0.00 0.00 35.03 28.69 1lb1 n LYS 135 CO 0.00 0.00 0.00 -0.65 -1.37 0.00 0.00 177.40 175.38 1lb1 s GLN 136 N -5.59 1.04 0.05 1.97 -0.21 -0.27 -4.97 119.66 111.67 1lb1 s GLN 136 Ca 0.28 -1.51 -0.06 0.00 0.02 0.00 0.00 55.36 54.10 1lb1 s GLN 136 Cb -0.12 0.26 -0.01 0.00 1.00 0.00 0.00 33.01 34.13 1lb1 s GLN 136 CO 0.45 -0.31 0.10 -1.83 -2.12 0.00 0.00 175.29 171.57 1lb1 s GLU 137 N -4.09 0.63 0.99 2.91 -1.05 -1.26 -1.89 118.70 114.94 1lb1 s GLU 137 Ca 0.30 -0.82 -0.17 0.00 -0.15 0.00 0.00 54.97 54.12 1lb1 s GLU 137 Cb 0.07 0.25 -0.06 0.00 -0.44 0.00 0.00 34.13 33.94 1lb1 s GLU 137 CO 0.06 -0.16 -0.37 -2.30 0.95 0.00 0.00 175.26 173.43 1lb1 n PRO 138 N 0.58 -0.26 -2.93 -4.83 -0.02 -1.26 -4.67 135.00 121.61 1lb1 n PRO 138 Ca -0.18 -0.06 -0.40 0.00 -2.02 0.00 0.00 63.50 60.84 1lb1 n PRO 138 Cb 0.59 -1.38 -0.04 0.00 -0.02 0.00 0.00 33.50 32.66 1lb1 n PRO 138 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1lb1 s VAL 139 N -2.17 4.98 0.02 -1.45 1.01 0.37 -4.96 120.40 118.20 1lb1 s VAL 139 Ca 0.47 1.65 -0.21 0.00 0.00 0.00 0.00 61.98 63.90 1lb1 s VAL 139 Cb -0.15 -4.13 -0.06 0.00 0.00 0.00 0.00 36.38 32.03 1lb1 s VAL 139 CO 0.74 0.23 0.60 -0.54 0.00 0.00 0.00 175.10 176.13 1lb1 s LYS 140 N 0.82 4.31 0.32 2.72 1.02 -1.26 -4.96 119.74 122.71 1lb1 s LYS 140 Ca 0.42 0.77 0.05 0.00 0.02 0.00 0.00 55.97 57.23 1lb1 s LYS 140 Cb -0.19 -3.31 0.86 0.00 -0.52 0.00 0.00 37.83 34.66 1lb1 s LYS 140 CO 0.22 0.44 1.57 -1.35 -0.92 0.00 0.00 175.35 175.30 1lb1 h PRO 141 N 5.32 0.00 -0.98 -1.68 0.11 -2.00 0.99 132.00 133.76 1lb1 h PRO 141 Ca -0.46 -0.00 0.17 0.00 0.11 0.00 0.00 66.00 65.81 1lb1 h PRO 141 Cb 1.20 -0.00 -0.10 0.00 0.11 0.00 0.00 31.00 32.21 1lb1 h PRO 141 CO 0.68 0.00 0.59 0.93 -0.21 0.00 0.00 178.00 179.98 1lb1 h GLU 142 N 0.00 0.77 -0.42 1.05 5.08 -2.00 0.60 114.58 119.66 1lb1 h GLU 142 Ca 0.65 -0.05 -0.10 0.00 -1.00 0.00 0.00 59.36 58.86 1lb1 h GLU 142 Cb 1.41 -0.17 -0.02 0.00 0.50 0.00 0.00 28.75 30.47 1lb1 h GLU 142 CO -0.91 0.51 -0.15 0.93 -1.00 0.00 0.00 179.01 178.39 1lb1 h GLU 143 N 0.79 0.78 0.78 2.33 5.08 0.63 -2.56 114.58 122.42 1lb1 h GLU 143 Ca 0.54 -0.28 -0.04 0.00 -1.00 0.00 0.00 59.36 58.59 1lb1 h GLU 143 Cb 0.76 -0.06 0.01 0.00 0.50 0.00 0.00 28.75 29.96 1lb1 h GLU 143 CO -0.35 0.88 -0.37 0.78 -1.00 0.00 0.00 179.01 178.94 1lb1 h GLY 144 N 0.97 -1.09 0.37 -3.84 0.00 -0.55 -1.98 103.07 96.95 1lb1 h GLY 144 Ca 0.11 0.41 0.13 0.00 0.00 0.00 0.00 47.33 47.98 1lb1 h GLY 144 CO 0.04 -0.40 0.56 3.21 0.00 0.00 0.00 176.54 179.95 1lb1 h ARG 145 N -1.16 0.81 0.21 4.80 3.08 -1.39 0.26 114.38 120.99 1lb1 h ARG 145 Ca -0.11 -0.05 -0.00 0.00 0.07 0.00 0.00 59.98 59.89 1lb1 h ARG 145 Cb 0.82 -0.18 -0.01 0.00 0.08 0.00 0.00 29.97 30.68 1lb1 h ARG 145 CO 0.18 0.54 -0.16 -0.44 -1.07 0.00 0.00 179.97 179.02 1lb1 h ASP 146 N 0.84 -0.40 -0.42 7.04 3.32 -1.38 -0.97 116.42 124.44 1lb1 h ASP 146 Ca 0.48 0.03 0.02 0.00 0.02 0.00 0.00 57.03 57.59 1lb1 h ASP 146 Cb 0.57 0.13 -0.03 0.00 0.22 0.00 0.00 39.33 40.22 1lb1 h ASP 146 CO -0.30 -0.25 0.25 -0.03 -1.72 0.00 0.00 179.24 177.19 1lb1 h MET 147 N -0.37 0.48 -0.95 3.56 4.05 -0.52 0.37 114.93 121.55 1lb1 h MET 147 Ca -0.01 -0.03 0.17 0.00 -0.28 0.00 0.00 59.70 59.55 1lb1 h MET 147 Cb 0.33 -0.11 -0.10 0.00 -0.80 0.00 0.00 31.60 30.92 1lb1 h MET 147 CO -0.01 0.32 0.55 0.00 0.23 0.00 0.00 176.91 178.00 1lb1 h ALA 148 N 1.19 1.53 0.03 0.39 0.00 -0.15 0.47 119.26 122.71 1lb1 h ALA 148 Ca 0.17 0.08 -0.25 0.00 0.00 0.00 0.00 54.91 54.91 1lb1 h ALA 148 Cb 0.01 -0.06 -0.03 0.00 0.00 0.00 0.00 17.79 17.71 1lb1 h ALA 148 CO -0.08 -0.05 -1.29 -0.91 0.00 0.00 0.00 179.25 176.92 1lb1 h ASN 149 N 0.72 0.09 -0.71 0.00 4.21 -0.52 0.41 115.58 119.79 1lb1 h ASN 149 Ca 0.54 -0.12 0.01 0.00 1.21 0.00 0.00 56.30 57.94 1lb1 h ASN 149 Cb 0.80 -0.03 -0.04 0.00 -1.12 0.00 0.00 38.32 37.93 1lb1 h ASN 149 CO -0.37 1.10 0.47 -0.09 -1.29 0.00 0.00 177.43 177.24 1lb1 h ARG 150 N 0.02 0.93 0.00 0.81 2.43 0.15 -2.11 114.38 116.60 1lb1 h ARG 150 Ca -0.13 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.99 1lb1 h ARG 150 Cb 1.89 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 31.23 1lb1 h ARG 150 CO 0.13 0.61 -0.43 -0.84 -1.51 0.00 0.00 179.97 177.93 1lb1 h ILE 151 N 0.95 0.00 0.00 1.20 3.07 -1.09 -3.48 117.51 118.17 1lb1 h ILE 151 Ca 0.26 -0.69 0.00 0.00 1.55 0.00 0.00 64.86 65.98 1lb1 h ILE 151 Cb -0.10 1.43 0.00 0.00 -0.27 0.00 0.00 36.82 37.88 1lb1 h ILE 151 CO -0.06 0.00 0.00 0.61 -1.05 0.00 0.00 178.15 177.65 1lb1 n GLY 152 N 1.25 1.03 3.44 0.16 0.00 -0.79 -5.06 105.19 105.22 1lb1 n GLY 152 Ca 0.03 -0.53 -0.30 0.00 0.00 0.00 0.00 46.02 45.22 1lb1 n GLY 152 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1lb1 n ALA 153 N -0.98 -2.94 1.53 4.61 0.00 0.14 -4.85 120.51 118.03 1lb1 n ALA 153 Ca 0.00 -1.09 0.14 0.00 0.00 0.00 0.00 53.44 52.49 1lb1 n ALA 153 Cb 0.29 -1.89 0.55 0.00 0.00 0.00 0.00 19.45 18.40 1lb1 n ALA 153 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 1lb1 n PHE 154 N -4.66 0.00 0.00 0.00 -0.00 0.27 -4.88 117.46 108.19 1lb1 n PHE 154 Ca 0.04 -0.00 0.00 0.00 -0.00 0.00 0.00 57.45 57.49 1lb1 n PHE 154 Cb 0.56 0.00 0.00 0.00 -0.00 0.00 0.00 39.48 40.04 1lb1 n PHE 154 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.76 177.17 1lb1 n GLY 155 N 1.16 3.91 3.87 7.13 0.00 -1.25 -5.00 105.19 115.01 1lb1 n GLY 155 Ca 0.19 -0.86 -0.27 0.00 0.00 0.00 0.00 46.02 45.08 1lb1 n GLY 155 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 1lb1 s TYR 156 N -2.00 3.33 -0.18 1.61 5.04 -1.26 -1.80 117.35 122.09 1lb1 s TYR 156 Ca 0.00 0.08 -0.28 0.00 -2.44 0.00 0.00 57.07 54.43 1lb1 s TYR 156 Cb 0.00 -1.61 0.10 0.00 0.35 0.00 0.00 41.96 40.79 1lb1 s TYR 156 CO 0.00 0.53 0.86 -1.64 -1.34 0.00 0.00 175.55 173.96 1lb1 s MET 157 N -3.00 0.75 0.21 4.97 -1.94 -0.87 -4.96 119.30 114.46 1lb1 s MET 157 Ca 0.33 0.45 0.09 0.00 -1.71 0.00 0.00 55.69 54.85 1lb1 s MET 157 Cb -0.11 0.36 -0.05 0.00 2.01 0.00 0.00 34.83 37.04 1lb1 s MET 157 CO 0.26 -0.18 -0.18 -1.21 -0.01 0.00 0.00 175.02 173.70 1lb1 s GLU 158 N -0.52 1.41 0.22 2.03 2.02 -1.26 -0.40 118.70 122.20 1lb1 s GLU 158 Ca -0.03 -1.55 -0.23 0.00 0.02 0.00 0.00 54.97 53.18 1lb1 s GLU 158 Cb -0.02 -1.42 0.05 0.00 0.10 0.00 0.00 34.13 32.83 1lb1 s GLU 158 CO 0.02 0.27 0.87 0.00 0.02 0.00 0.00 175.26 176.44 1lb1 s SER 160 N -2.99 1.18 0.29 0.00 0.15 0.30 -1.72 113.70 110.92 1lb1 s SER 160 Ca 0.13 -0.06 0.08 0.00 0.70 0.00 0.00 55.95 56.80 1lb1 s SER 160 Cb -0.03 -0.35 0.45 0.00 -1.71 0.00 0.00 66.02 64.37 1lb1 s SER 160 CO 0.05 -0.16 1.68 0.00 1.20 0.00 0.00 173.24 176.01 1lb1 h ALA 161 N 7.94 1.09 0.05 5.45 0.00 -1.93 0.31 119.26 132.17 1lb1 h ALA 161 Ca -0.26 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.20 1lb1 h ALA 161 Cb 1.13 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.83 1lb1 h ALA 161 CO 0.32 0.62 -0.02 0.87 0.00 0.00 0.00 179.25 181.04 1lb1 h LYS 162 N 0.13 -0.06 -0.01 0.00 1.57 -1.97 -3.23 116.57 112.99 1lb1 h LYS 162 Ca 0.01 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 1lb1 h LYS 162 Cb 0.88 0.01 0.00 0.00 0.08 0.00 0.00 32.23 33.21 1lb1 h LYS 162 CO 0.07 0.27 -0.17 0.25 -0.57 0.00 0.00 179.45 179.30 1lb1 n THR 163 N -4.96 0.00 -0.80 -0.16 -2.24 -1.22 -4.75 114.28 100.15 1lb1 n THR 163 Ca -0.08 -0.22 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 1lb1 n THR 163 Cb 0.19 0.65 0.00 0.00 -2.10 0.00 0.00 70.33 69.07 1lb1 n THR 163 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 1lb1 n LYS 164 N -0.08 -1.00 -1.88 -0.78 5.02 0.11 -4.88 118.16 114.66 1lb1 n LYS 164 Ca 0.14 0.25 -0.43 0.00 -2.02 0.00 0.00 58.31 56.25 1lb1 n LYS 164 Cb 0.39 -4.56 -0.03 0.00 -0.02 0.00 0.00 35.03 30.81 1lb1 n LYS 164 CO 0.00 0.00 0.00 0.34 -0.52 0.00 0.00 177.40 177.22 1lb1 s ASP 165 N -2.05 5.90 0.00 4.39 3.68 -1.03 -2.40 116.67 125.16 1lb1 s ASP 165 Ca 0.00 1.64 0.00 0.00 2.13 0.00 0.00 52.55 56.32 1lb1 s ASP 165 Cb 0.00 -2.52 0.00 0.00 -1.45 0.00 0.00 42.92 38.95 1lb1 s ASP 165 CO 0.00 -1.64 0.00 0.61 0.13 0.00 0.00 175.17 174.27 1lb1 n GLY 166 N 5.31 1.40 0.17 2.66 0.00 -1.26 -0.54 105.19 112.93 1lb1 n GLY 166 Ca 0.24 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.20 1lb1 n GLY 166 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1lb1 h VAL 167 N 0.00 0.00 -0.84 1.61 2.07 -1.76 -2.12 116.25 115.21 1lb1 h VAL 167 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 1lb1 h VAL 167 Cb 0.00 0.00 -0.14 0.00 -1.52 0.00 0.00 31.29 29.63 1lb1 h VAL 167 CO 0.00 0.00 0.11 -0.09 0.02 0.00 0.00 177.57 177.61 1lb1 h ARG 168 N -0.36 0.13 -0.91 1.57 9.65 -1.93 -0.14 114.38 122.40 1lb1 h ARG 168 Ca -0.03 -0.01 0.11 0.00 -1.10 0.00 0.00 59.98 58.95 1lb1 h ARG 168 Cb 0.30 -0.03 -0.07 0.00 -1.39 0.00 0.00 29.97 28.78 1lb1 h ARG 168 CO 0.00 0.09 0.59 0.93 2.80 0.00 0.00 179.97 184.37 1lb1 h GLU 169 N 0.14 0.84 0.11 0.20 3.07 -1.87 -1.23 114.58 115.84 1lb1 h GLU 169 Ca 0.50 -0.05 -0.01 0.00 -0.50 0.00 0.00 59.36 59.30 1lb1 h GLU 169 Cb 0.96 -0.19 0.00 0.00 -0.84 0.00 0.00 28.75 28.68 1lb1 h GLU 169 CO -0.70 0.56 -0.05 0.28 -1.40 0.00 0.00 179.01 177.70 1lb1 h VAL 170 N 0.87 1.03 0.00 3.13 2.07 -0.33 -1.48 116.25 121.54 1lb1 h VAL 170 Ca 0.43 -0.53 -0.03 0.00 0.82 0.00 0.00 66.70 67.39 1lb1 h VAL 170 Cb 0.48 1.37 -0.00 0.00 -1.52 0.00 0.00 31.29 31.61 1lb1 h VAL 170 CO -0.20 0.13 -0.15 -0.26 0.02 0.00 0.00 177.57 177.11 1lb1 h PHE 171 N -0.39 0.00 0.02 1.57 0.04 -1.43 -1.10 116.94 115.65 1lb1 h PHE 171 Ca -0.01 0.00 -0.21 0.00 2.80 0.00 0.00 57.97 60.55 1lb1 h PHE 171 Cb 0.32 0.00 0.02 0.00 2.20 0.00 0.00 35.95 38.49 1lb1 h PHE 171 CO 0.01 0.15 -0.83 1.49 -0.60 0.00 0.00 178.31 178.53 1lb1 h GLU 172 N 0.00 0.52 -0.24 1.51 4.81 -1.18 -2.08 114.58 117.93 1lb1 h GLU 172 Ca -0.00 -0.59 -0.15 0.00 -0.13 0.00 0.00 59.36 58.49 1lb1 h GLU 172 Cb 0.73 0.17 -0.01 0.00 0.63 0.00 0.00 28.75 30.28 1lb1 h GLU 172 CO 0.02 1.22 -0.45 1.98 -0.73 0.00 0.00 179.01 181.05 1lb1 h MET 173 N 0.08 0.61 -0.15 1.92 4.05 -1.07 -2.74 114.93 117.63 1lb1 h MET 173 Ca -0.11 -0.33 -0.15 0.00 -0.28 0.00 0.00 59.70 58.83 1lb1 h MET 173 Cb 1.52 0.02 -0.01 0.00 -0.80 0.00 0.00 31.60 32.33 1lb1 h MET 173 CO 0.16 0.94 -0.54 0.00 0.23 0.00 0.00 176.91 177.69 1lb1 h ALA 174 N 1.01 0.77 -0.49 0.39 0.00 -1.25 -2.18 119.26 117.52 1lb1 h ALA 174 Ca 0.03 -0.51 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 1lb1 h ALA 174 Cb 0.98 -0.09 -0.02 0.00 0.00 0.00 0.00 17.79 18.66 1lb1 h ALA 174 CO 0.09 0.69 -0.02 1.15 0.00 0.00 0.00 179.25 181.16 1lb1 h THR 175 N 0.35 1.25 -0.07 0.00 2.02 -1.30 -1.61 112.91 113.55 1lb1 h THR 175 Ca 0.01 -1.05 -0.01 0.00 0.77 0.00 0.00 66.41 66.13 1lb1 h THR 175 Cb 1.06 0.89 -0.00 0.00 -1.74 0.00 0.00 68.15 68.36 1lb1 h THR 175 CO 0.10 0.37 0.00 -0.09 0.37 0.00 0.00 175.52 176.27 1lb1 h ARG 176 N 0.77 0.12 -0.07 6.66 2.43 -1.33 -2.21 114.38 120.74 1lb1 h ARG 176 Ca 0.15 -0.03 0.02 0.00 -0.81 0.00 0.00 59.98 59.30 1lb1 h ARG 176 Cb 0.49 -0.01 -0.00 0.00 -0.42 0.00 0.00 29.97 30.02 1lb1 h ARG 176 CO 0.02 0.37 0.05 0.00 -1.51 0.00 0.00 179.97 178.90 1lb1 h ALA 177 N 0.74 1.98 -0.09 2.80 0.00 -1.19 -1.57 119.26 121.93 1lb1 h ALA 177 Ca 0.02 -0.00 -0.17 0.00 0.00 0.00 0.00 54.91 54.76 1lb1 h ALA 177 Cb 0.31 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1lb1 h ALA 177 CO 0.00 -0.08 -0.67 0.00 0.00 0.00 0.00 179.25 178.50 1lb1 h ALA 178 N 1.96 0.68 0.00 0.00 0.00 -0.94 -3.06 119.26 117.89 1lb1 h ALA 178 Ca 0.03 -0.58 0.00 0.00 0.00 0.00 0.00 54.91 54.36 1lb1 h ALA 178 Cb 0.13 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.85 1lb1 h ALA 178 CO -0.00 0.74 0.00 1.28 0.00 0.00 0.00 179.25 181.27 1lb1 n LEU 179 N -3.86 0.73 0.00 0.00 4.77 -0.60 -4.96 117.00 113.08 1lb1 n LEU 179 Ca -0.04 0.66 0.16 0.00 -0.03 0.00 0.00 56.01 56.76 1lb1 n LEU 179 Cb 0.67 -0.53 0.93 0.00 -2.33 0.00 0.00 43.42 42.16 1lb1 n LEU 179 CO 0.47 -0.51 1.10 1.67 -1.33 0.00 0.00 177.39 178.79