#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1e96 n GLN 2 N 0.00 2.38 -3.03 -0.52 7.27 -1.23 -4.28 117.38 117.97 1e96 n GLN 2 Ca 0.00 0.86 -0.38 0.00 0.07 0.00 0.00 57.00 57.55 1e96 n GLN 2 Cb 0.00 -2.64 -0.06 0.00 2.41 0.00 0.00 30.24 29.95 1e96 n GLN 2 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1e96 s ALA 3 N 0.80 3.43 -0.03 1.69 0.00 -1.26 0.36 121.76 126.75 1e96 s ALA 3 Ca 0.75 0.28 0.02 0.00 0.00 0.00 0.00 51.96 53.01 1e96 s ALA 3 Cb -0.61 -2.90 0.00 0.00 0.00 0.00 0.00 23.12 19.62 1e96 s ALA 3 CO 0.38 0.31 -0.09 0.42 0.00 0.00 0.00 175.76 176.78 1e96 s ILE 4 N -1.31 0.76 -0.28 0.00 1.01 0.29 -4.88 121.20 116.80 1e96 s ILE 4 Ca 0.39 -0.35 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1e96 s ILE 4 Cb -0.20 -0.68 -0.00 0.00 0.01 0.00 0.00 42.46 41.58 1e96 s ILE 4 CO 0.24 0.24 0.08 -0.75 0.00 0.00 0.00 174.94 174.75 1e96 s LYS 5 N 0.21 3.26 -0.14 2.79 2.20 -1.26 0.83 119.74 127.63 1e96 s LYS 5 Ca -0.03 -0.74 0.02 0.00 -0.36 0.00 0.00 55.97 54.85 1e96 s LYS 5 Cb -0.08 -3.38 0.02 0.00 -1.51 0.00 0.00 37.83 32.87 1e96 s LYS 5 CO 0.00 -0.37 -0.18 0.00 -0.36 0.00 0.00 175.35 174.44 1e96 s VAL 7 N 1.09 3.02 -0.18 0.00 -7.23 -1.01 -0.83 120.40 115.27 1e96 s VAL 7 Ca -0.02 -0.97 -0.04 0.00 -1.81 0.00 0.00 61.98 59.14 1e96 s VAL 7 Cb -0.14 -2.25 -0.02 0.00 0.56 0.00 0.00 36.38 34.52 1e96 s VAL 7 CO -0.05 0.43 -0.03 -0.69 -0.31 0.00 0.00 175.10 174.45 1e96 s VAL 8 N -0.87 3.84 0.25 1.32 1.01 -0.88 -1.50 120.40 123.57 1e96 s VAL 8 Ca 0.14 -0.36 0.05 0.00 0.00 0.00 0.00 61.98 61.81 1e96 s VAL 8 Cb -0.11 -2.70 -0.05 0.00 0.00 0.00 0.00 36.38 33.52 1e96 s VAL 8 CO 0.04 0.47 -0.04 0.68 0.00 0.00 0.00 175.10 176.24 1e96 s VAL 9 N 0.67 1.36 0.00 2.92 -7.23 -0.45 -3.47 120.40 114.21 1e96 s VAL 9 Ca -0.02 -2.09 0.00 0.00 -1.81 0.00 0.00 61.98 58.07 1e96 s VAL 9 Cb -0.14 -2.34 0.00 0.00 0.56 0.00 0.00 36.38 34.45 1e96 s VAL 9 CO 0.02 -0.36 0.00 0.61 -0.31 0.00 0.00 175.10 175.06 1e96 n GLY 10 N -0.48 3.00 3.55 2.32 0.00 -1.26 0.68 105.19 113.01 1e96 n GLY 10 Ca -0.06 -1.37 -0.35 0.00 0.00 0.00 0.00 46.02 44.24 1e96 n GLY 10 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1e96 n ASP 11 N 0.00 -0.28 -4.77 1.61 9.92 -1.25 -4.13 116.55 117.64 1e96 n ASP 11 Ca 0.00 0.60 -0.41 0.00 -0.53 0.00 0.00 54.79 54.45 1e96 n ASP 11 Cb 0.00 -1.33 -0.01 0.00 -0.64 0.00 0.00 41.12 39.14 1e96 n ASP 11 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1e96 s GLY 12 N -1.68 2.82 0.00 0.44 0.00 -1.21 -2.98 107.32 104.70 1e96 s GLY 12 Ca 0.69 1.54 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1e96 s GLY 12 CO 0.55 2.27 0.00 0.00 0.00 0.00 0.00 173.10 175.92 1e96 n ALA 13 N 0.77 0.00 0.55 3.20 0.00 -1.26 -4.92 120.51 118.85 1e96 n ALA 13 Ca 0.02 0.00 0.13 0.00 0.00 0.00 0.00 53.44 53.59 1e96 n ALA 13 Cb 0.39 -0.06 0.32 0.00 0.00 0.00 0.00 19.45 20.10 1e96 n ALA 13 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 177.50 177.11 1e96 h VAL 14 N 0.00 0.00 0.00 0.00 -1.51 -1.90 -3.47 116.25 109.37 1e96 h VAL 14 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1e96 h VAL 14 Cb 0.04 1.46 0.00 0.00 -2.13 0.00 0.00 31.29 30.66 1e96 h VAL 14 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1e96 n GLY 15 N 1.28 1.62 0.16 5.19 0.00 -1.26 -4.51 105.19 107.67 1e96 n GLY 15 Ca 0.05 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 46.01 1e96 n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1e96 h LYS 16 N 0.35 0.27 -0.14 1.61 1.57 -1.91 -1.32 116.57 117.01 1e96 h LYS 16 Ca 0.00 -0.02 -0.13 0.00 -1.87 0.00 0.00 60.65 58.63 1e96 h LYS 16 Cb 0.00 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.25 1e96 h LYS 16 CO 0.00 0.18 -0.43 1.15 -0.57 0.00 0.00 179.45 179.78 1e96 h THR 17 N 0.28 1.35 -0.86 -0.16 2.02 -1.96 -2.78 112.91 110.80 1e96 h THR 17 Ca 0.18 -1.71 0.10 0.00 0.77 0.00 0.00 66.41 65.74 1e96 h THR 17 Cb 0.16 2.05 -0.06 0.00 -1.74 0.00 0.00 68.15 68.56 1e96 h THR 17 CO -0.19 0.52 0.56 0.00 0.37 0.00 0.00 175.52 176.78 1e96 h LEU 19 N 0.82 0.31 -0.36 0.00 6.46 -1.10 0.14 115.31 121.57 1e96 h LEU 19 Ca 0.40 -0.16 -0.09 0.00 -0.12 0.00 0.00 57.88 57.92 1e96 h LEU 19 Cb 0.44 -0.08 -0.01 0.00 -0.73 0.00 0.00 40.66 40.28 1e96 h LEU 19 CO -0.17 0.38 -0.11 -0.07 -0.62 0.00 0.00 178.44 177.85 1e96 h LEU 20 N 0.21 0.72 -0.41 2.25 3.38 -1.20 -1.98 115.31 118.29 1e96 h LEU 20 Ca 0.07 -0.38 -0.17 0.00 0.09 0.00 0.00 57.88 57.50 1e96 h LEU 20 Cb 0.17 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 40.71 1e96 h LEU 20 CO -0.01 0.93 -0.55 0.40 0.09 0.00 0.00 178.44 179.31 1e96 h ILE 21 N 0.51 1.30 -0.46 1.22 2.04 -1.14 -1.32 117.51 119.66 1e96 h ILE 21 Ca 0.09 -1.76 -0.06 0.00 1.00 0.00 0.00 64.86 64.13 1e96 h ILE 21 Cb 0.63 1.69 -0.02 0.00 -0.74 0.00 0.00 36.82 38.38 1e96 h ILE 21 CO 0.04 0.56 0.07 -1.28 0.00 0.00 0.00 178.15 177.54 1e96 h SER 22 N 0.55 0.74 -0.40 1.72 0.87 -0.69 0.32 113.55 116.66 1e96 h SER 22 Ca 0.01 -0.27 -0.07 0.00 -1.23 0.00 0.00 61.79 60.24 1e96 h SER 22 Cb 1.12 -0.20 -0.01 0.00 -0.44 0.00 0.00 62.40 62.87 1e96 h SER 22 CO 0.11 0.82 -0.01 0.22 -0.53 0.00 0.00 176.83 177.44 1e96 h TYR 23 N 0.63 0.79 0.00 2.24 3.20 -1.32 0.17 116.97 122.68 1e96 h TYR 23 Ca 0.14 -0.14 -0.05 0.00 3.14 0.00 0.00 58.73 61.82 1e96 h TYR 23 Cb 0.40 -0.20 -0.01 0.00 1.54 0.00 0.00 36.73 38.46 1e96 h TYR 23 CO 0.03 0.80 -0.59 1.79 -1.64 0.00 0.00 178.16 178.55 1e96 h THR 24 N 0.55 0.28 0.00 1.81 1.35 -1.08 -3.40 112.91 112.41 1e96 h THR 24 Ca 0.11 -1.43 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1e96 h THR 24 Cb 0.49 1.97 0.00 0.00 -1.73 0.00 0.00 68.15 68.88 1e96 h THR 24 CO 0.02 0.16 -0.38 0.35 -0.25 0.00 0.00 175.52 175.42 1e96 n THR 25 N -2.99 0.00 -0.28 6.82 -2.24 0.11 -4.98 114.28 110.73 1e96 n THR 25 Ca 0.00 -0.14 0.00 0.00 -2.27 0.00 0.00 64.05 61.64 1e96 n THR 25 Cb 0.63 0.62 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1e96 n THR 25 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1e96 n ASN 26 N -0.85 0.00 -4.78 3.42 3.02 0.59 -5.00 115.26 111.66 1e96 n ASN 26 Ca 0.00 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.18 1e96 n ASN 26 Cb 0.00 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 38.51 1e96 n ASN 26 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1e96 s ALA 27 N -2.53 3.08 -0.24 5.41 0.00 -1.26 -4.90 121.76 121.32 1e96 s ALA 27 Ca 0.00 0.82 -0.01 0.00 0.00 0.00 0.00 51.96 52.76 1e96 s ALA 27 Cb 0.00 -3.32 0.02 0.00 0.00 0.00 0.00 23.12 19.82 1e96 s ALA 27 CO 0.00 -0.39 -0.08 0.12 0.00 0.00 0.00 175.76 175.42 1e96 s PHE 28 N -1.57 3.03 -0.45 0.00 2.19 -1.26 -3.22 117.98 116.70 1e96 s PHE 28 Ca 0.59 -1.55 -0.29 0.00 0.33 0.00 0.00 56.93 56.01 1e96 s PHE 28 Cb -0.26 -2.04 0.03 0.00 -1.31 0.00 0.00 43.02 39.44 1e96 s PHE 28 CO 0.32 -0.73 1.11 -2.14 1.83 0.00 0.00 175.22 175.61 1e96 s PRO 29 N 1.32 3.77 0.28 10.12 0.02 -1.26 -4.88 135.00 144.37 1e96 s PRO 29 Ca 0.01 0.63 0.24 0.00 0.02 0.00 0.00 61.00 61.90 1e96 s PRO 29 Cb -0.16 -3.88 0.42 0.00 0.02 0.00 0.00 34.50 30.90 1e96 s PRO 29 CO -0.05 -1.29 1.51 0.78 -0.33 0.00 0.00 177.00 177.62 1e96 h GLY 30 N 10.98 0.00 -4.62 0.52 0.00 -2.03 -3.45 103.07 104.47 1e96 h GLY 30 Ca -0.23 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.55 1e96 h GLY 30 CO 1.10 0.00 0.41 1.85 0.00 0.00 0.00 176.54 179.91 1e96 s GLU 31 N -3.20 4.49 -0.43 4.80 2.12 -1.26 -5.02 118.70 120.20 1e96 s GLU 31 Ca 0.07 1.34 -0.22 0.00 0.36 0.00 0.00 54.97 56.52 1e96 s GLU 31 Cb 0.09 -3.49 0.02 0.00 0.26 0.00 0.00 34.13 31.01 1e96 s GLU 31 CO 0.68 -0.15 0.72 -0.47 -0.54 0.00 0.00 175.26 175.50 1e96 s TYR 32 N 1.39 3.04 -0.21 5.30 5.04 -1.26 -5.01 117.35 125.64 1e96 s TYR 32 Ca 0.49 0.12 0.01 0.00 -2.44 0.00 0.00 57.07 55.25 1e96 s TYR 32 Cb -0.20 -3.49 0.05 0.00 0.35 0.00 0.00 41.96 38.68 1e96 s TYR 32 CO 0.23 -0.90 -0.08 0.42 -1.34 0.00 0.00 175.55 173.88 1e96 s ILE 33 N 3.06 1.56 0.10 3.14 1.01 -1.26 -5.10 121.20 123.70 1e96 s ILE 33 Ca 0.27 -1.07 -0.32 0.00 0.00 0.00 0.00 60.65 59.53 1e96 s ILE 33 Cb -0.13 -1.72 -0.11 0.00 0.01 0.00 0.00 42.46 40.51 1e96 s ILE 33 CO 0.20 0.06 1.81 -2.65 0.00 0.00 0.00 174.94 174.36 1e96 n PRO 34 N 4.69 2.62 -3.14 2.79 -0.02 -1.26 -4.96 135.00 135.72 1e96 n PRO 34 Ca -0.13 0.95 -0.30 0.00 -2.02 0.00 0.00 63.50 62.00 1e96 n PRO 34 Cb 0.46 -2.82 -0.04 0.00 -0.02 0.00 0.00 33.50 31.07 1e96 n PRO 34 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1e96 s THR 35 N 2.64 4.87 -0.25 3.45 -4.23 -1.26 -4.99 115.64 115.87 1e96 s THR 35 Ca 0.83 0.48 -0.16 0.00 -1.18 0.00 0.00 61.69 61.66 1e96 s THR 35 Cb -0.54 -3.69 -0.12 0.00 1.34 0.00 0.00 72.50 69.49 1e96 s THR 35 CO 0.39 -0.33 -0.24 0.52 -0.54 0.00 0.00 174.62 174.42 1e96 n VAL 36 N -0.83 1.52 -3.56 2.29 0.31 -1.26 -4.16 118.33 112.65 1e96 n VAL 36 Ca 0.01 -0.23 -0.09 0.00 -0.01 0.00 0.00 64.34 64.02 1e96 n VAL 36 Cb 0.54 -1.99 -0.04 0.00 -0.91 0.00 0.00 33.84 31.44 1e96 n VAL 36 CO 0.00 0.00 0.00 0.72 -1.32 0.00 0.00 176.83 176.23 1e96 s PHE 37 N -2.52 -0.34 0.19 3.52 -0.12 -1.26 -3.60 117.98 113.85 1e96 s PHE 37 Ca -0.35 0.44 -0.23 0.00 -0.05 0.00 0.00 56.93 56.74 1e96 s PHE 37 Cb 0.11 0.48 0.05 0.00 -0.63 0.00 0.00 43.02 43.04 1e96 s PHE 37 CO 0.49 -0.39 0.74 0.34 -0.05 0.00 0.00 175.22 176.36 1e96 s ASP 38 N -1.64 -0.35 -0.02 1.98 -1.08 -0.93 -5.01 116.67 109.63 1e96 s ASP 38 Ca 0.02 -0.32 0.02 0.00 -0.52 0.00 0.00 52.55 51.74 1e96 s ASP 38 Cb -0.01 0.61 0.00 0.00 -1.46 0.00 0.00 42.92 42.07 1e96 s ASP 38 CO -0.02 -1.08 -0.06 0.20 0.52 0.00 0.00 175.17 174.73 1e96 s ASN 39 N -2.82 0.81 0.08 -0.34 0.01 -1.26 -1.29 114.94 110.13 1e96 s ASN 39 Ca 0.07 -0.12 0.07 0.00 -0.71 0.00 0.00 52.86 52.17 1e96 s ASN 39 Cb -0.03 -0.21 -0.03 0.00 0.41 0.00 0.00 41.25 41.39 1e96 s ASN 39 CO -0.02 0.03 -0.17 -0.31 -1.51 0.00 0.00 177.10 175.12 1e96 s TYR 40 N 0.23 1.48 0.01 2.20 1.51 0.12 -4.97 117.35 117.92 1e96 s TYR 40 Ca -0.03 -0.44 0.03 0.00 -1.01 0.00 0.00 57.07 55.63 1e96 s TYR 40 Cb -0.07 -0.82 -0.01 0.00 -0.11 0.00 0.00 41.96 40.95 1e96 s TYR 40 CO -0.00 0.12 -0.09 -1.54 -1.11 0.00 0.00 175.55 172.93 1e96 s SER 41 N -1.77 1.07 -0.05 2.29 1.04 -1.26 0.12 113.70 115.13 1e96 s SER 41 Ca 0.02 -0.26 -0.04 0.00 0.48 0.00 0.00 55.95 56.15 1e96 s SER 41 Cb -0.10 -0.09 0.02 0.00 0.10 0.00 0.00 66.02 65.96 1e96 s SER 41 CO 0.03 0.04 0.13 0.00 0.98 0.00 0.00 173.24 174.43 1e96 s ALA 42 N -0.48 -0.30 -0.31 5.32 0.00 -0.96 -5.01 121.76 120.02 1e96 s ALA 42 Ca 0.01 0.49 -0.15 0.00 0.00 0.00 0.00 51.96 52.30 1e96 s ALA 42 Cb -0.05 -0.31 -0.02 0.00 0.00 0.00 0.00 23.12 22.74 1e96 s ALA 42 CO 0.00 -0.10 0.37 1.21 0.00 0.00 0.00 175.76 177.25 1e96 s ASN 43 N 0.50 6.22 0.11 0.00 3.04 -1.26 -2.26 114.94 121.28 1e96 s ASN 43 Ca -0.04 0.04 0.05 0.00 0.04 0.00 0.00 52.86 52.96 1e96 s ASN 43 Cb -0.05 -2.21 -0.04 0.00 -1.54 0.00 0.00 41.25 37.42 1e96 s ASN 43 CO -0.02 -0.27 -0.14 0.68 -3.04 0.00 0.00 177.10 174.32 1e96 s VAL 44 N 2.07 1.22 -0.26 -5.21 -7.23 -1.05 -4.95 120.40 104.99 1e96 s VAL 44 Ca 0.14 -1.61 -0.10 0.00 -1.81 0.00 0.00 61.98 58.59 1e96 s VAL 44 Cb -0.16 -1.41 -0.05 0.00 0.56 0.00 0.00 36.38 35.33 1e96 s VAL 44 CO 0.11 -0.39 0.16 -0.04 -0.31 0.00 0.00 175.10 174.63 1e96 s MET 45 N -2.48 3.93 -0.16 4.82 -1.94 -1.26 -0.43 119.30 121.78 1e96 s MET 45 Ca 0.06 -0.33 -0.00 0.00 -1.71 0.00 0.00 55.69 53.70 1e96 s MET 45 Cb -0.06 -3.56 0.04 0.00 2.01 0.00 0.00 34.83 33.25 1e96 s MET 45 CO 0.02 -0.11 -0.08 0.08 -0.01 0.00 0.00 175.02 174.92 1e96 s VAL 46 N 1.53 1.27 -1.49 -6.03 1.01 0.09 -4.80 120.40 111.97 1e96 s VAL 46 Ca 0.07 -0.63 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 1e96 s VAL 46 Cb -0.15 -1.35 0.07 0.00 0.00 0.00 0.00 36.38 34.95 1e96 s VAL 46 CO 0.08 0.24 0.90 0.47 0.00 0.00 0.00 175.10 176.79 1e96 n ASP 47 N 4.84 -3.85 0.00 3.32 8.00 -1.26 -1.89 116.55 125.71 1e96 n ASP 47 Ca -0.13 -0.81 0.00 0.00 0.71 0.00 0.00 54.79 54.56 1e96 n ASP 47 Cb 0.48 -3.83 0.00 0.00 -0.02 0.00 0.00 41.12 37.75 1e96 n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1e96 n GLY 48 N -1.67 0.67 3.04 0.44 0.00 -1.26 -5.05 105.19 101.36 1e96 n GLY 48 Ca -0.04 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.75 1e96 n GLY 48 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1e96 s LYS 49 N -0.29 1.44 0.20 1.61 -2.85 -0.79 -5.12 119.74 113.94 1e96 s LYS 49 Ca 0.00 -0.42 -0.30 0.00 -1.00 0.00 0.00 55.97 54.25 1e96 s LYS 49 Cb 0.00 -1.25 -0.08 0.00 -2.06 0.00 0.00 37.83 34.44 1e96 s LYS 49 CO 0.00 0.12 1.10 -2.14 0.10 0.00 0.00 175.35 174.53 1e96 s PRO 50 N 0.32 4.61 -0.02 1.78 0.02 -1.26 -0.73 135.00 139.72 1e96 s PRO 50 Ca -0.07 1.74 0.02 0.00 0.02 0.00 0.00 61.00 62.71 1e96 s PRO 50 Cb -0.12 -3.25 0.00 0.00 0.02 0.00 0.00 34.50 31.15 1e96 s PRO 50 CO 0.02 0.11 -0.06 0.08 -0.33 0.00 0.00 177.00 176.82 1e96 s VAL 51 N -0.47 0.50 -0.82 3.83 1.01 0.43 -3.53 120.40 121.35 1e96 s VAL 51 Ca 0.48 -0.22 -0.19 0.00 0.00 0.00 0.00 61.98 62.05 1e96 s VAL 51 Cb -0.30 -0.45 0.12 0.00 0.00 0.00 0.00 36.38 35.75 1e96 s VAL 51 CO 0.36 0.16 1.00 0.20 0.00 0.00 0.00 175.10 176.83 1e96 s ASN 52 N 0.15 6.49 -0.37 3.32 -0.87 0.16 -2.52 114.94 121.30 1e96 s ASN 52 Ca -0.02 -1.82 -0.24 0.00 -1.57 0.00 0.00 52.86 49.21 1e96 s ASN 52 Cb -0.06 -2.37 0.01 0.00 -0.02 0.00 0.00 41.25 38.81 1e96 s ASN 52 CO -0.00 -1.10 0.83 -0.22 -2.57 0.00 0.00 177.10 174.04 1e96 s LEU 53 N 2.71 4.09 -0.16 0.60 2.96 -0.96 0.11 118.68 128.03 1e96 s LEU 53 Ca 0.26 0.38 -0.17 0.00 -0.22 0.00 0.00 54.13 54.39 1e96 s LEU 53 Cb -0.10 -3.09 -0.04 0.00 0.50 0.00 0.00 46.19 43.45 1e96 s LEU 53 CO -0.04 -0.79 0.43 -0.83 -1.32 0.00 0.00 176.35 173.80 1e96 s GLY 54 N 1.88 2.22 -0.29 7.98 0.00 0.24 -2.28 107.32 117.08 1e96 s GLY 54 Ca 0.33 -0.37 -0.02 0.00 0.00 0.00 0.00 44.72 44.67 1e96 s GLY 54 CO 0.18 0.77 -0.02 1.08 0.00 0.00 0.00 173.10 175.12 1e96 s LEU 55 N 0.96 3.72 -0.39 0.66 1.43 0.33 -1.15 118.68 124.24 1e96 s LEU 55 Ca 0.22 -1.17 -0.16 0.00 -1.03 0.00 0.00 54.13 51.99 1e96 s LEU 55 Cb -0.15 -1.70 0.01 0.00 0.03 0.00 0.00 46.19 44.38 1e96 s LEU 55 CO 0.08 -0.23 0.35 0.26 0.23 0.00 0.00 176.35 177.05 1e96 s TRP 56 N 1.27 3.21 -0.19 0.29 0.52 -0.01 0.11 118.94 124.14 1e96 s TRP 56 Ca -0.04 -0.37 -0.22 0.00 0.02 0.00 0.00 56.10 55.49 1e96 s TRP 56 Cb -0.19 -2.69 -0.02 0.00 -1.15 0.00 0.00 33.47 29.41 1e96 s TRP 56 CO -0.02 -0.57 0.69 0.34 0.02 0.00 0.00 176.95 177.41 1e96 s ASP 57 N 1.74 6.77 0.39 2.95 2.15 -0.41 -2.07 116.67 128.18 1e96 s ASP 57 Ca 0.09 0.94 0.08 0.00 0.43 0.00 0.00 52.55 54.08 1e96 s ASP 57 Cb -0.18 -2.38 -0.06 0.00 -0.30 0.00 0.00 42.92 40.01 1e96 s ASP 57 CO 0.12 -0.30 0.10 0.42 -0.17 0.00 0.00 175.17 175.34 1e96 s THR 58 N 1.94 2.40 0.07 1.71 -4.23 -1.23 -2.18 115.64 114.13 1e96 s THR 58 Ca 0.32 -1.82 -0.28 0.00 -1.18 0.00 0.00 61.69 58.73 1e96 s THR 58 Cb -0.16 -2.94 -0.05 0.00 1.34 0.00 0.00 72.50 70.69 1e96 s THR 58 CO 0.11 -0.07 0.87 0.00 -0.54 0.00 0.00 174.62 174.99 1e96 s ALA 59 N -2.58 3.29 -0.05 3.99 0.00 -1.24 -4.86 121.76 120.32 1e96 s ALA 59 Ca 0.38 0.44 0.13 0.00 0.00 0.00 0.00 51.96 52.91 1e96 s ALA 59 Cb 0.03 -3.16 -0.21 0.00 0.00 0.00 0.00 23.12 19.79 1e96 s ALA 59 CO 0.21 -0.00 0.75 0.78 0.00 0.00 0.00 175.76 177.50 1e96 h GLY 60 N 5.71 0.00 -4.29 0.00 0.00 -1.81 -3.46 103.07 99.22 1e96 h GLY 60 Ca -0.43 0.00 -0.53 0.00 0.00 0.00 0.00 47.33 46.37 1e96 h GLY 60 CO 0.72 0.00 0.80 1.08 0.00 0.00 0.00 176.54 179.14 1e96 s LEU 61 N -6.09 4.37 0.49 3.11 1.43 -1.26 -3.33 118.68 117.41 1e96 s LEU 61 Ca -0.04 2.74 0.21 0.00 -1.03 0.00 0.00 54.13 56.01 1e96 s LEU 61 Cb 0.08 -3.62 1.26 0.00 0.03 0.00 0.00 46.19 43.94 1e96 s LEU 61 CO 0.82 -0.77 1.98 -0.08 0.23 0.00 0.00 176.35 178.54 1e96 h GLU 62 N 5.15 0.15 0.00 1.70 4.81 -2.00 -1.95 114.58 122.44 1e96 h GLU 62 Ca -0.46 -0.01 0.00 0.00 -0.13 0.00 0.00 59.36 58.76 1e96 h GLU 62 Cb 1.22 -0.03 0.00 0.00 0.63 0.00 0.00 28.75 30.56 1e96 h GLU 62 CO 0.79 0.10 0.00 -0.44 -0.73 0.00 0.00 179.01 178.73 1e96 h ASP 63 N 0.15 0.00 -0.59 1.04 3.32 -1.99 -1.12 116.42 117.23 1e96 h ASP 63 Ca 0.27 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 57.18 1e96 h ASP 63 Cb 0.87 0.00 -0.08 0.00 0.22 0.00 0.00 39.33 40.33 1e96 h ASP 63 CO -0.04 0.00 0.15 -1.22 -1.72 0.00 0.00 179.24 176.41 1e96 n TYR 64 N -2.97 2.00 -0.17 4.55 4.01 -0.73 -4.71 117.16 119.15 1e96 n TYR 64 Ca -0.03 -1.11 -0.01 0.00 -0.16 0.00 0.00 57.90 56.59 1e96 n TYR 64 Cb 0.08 -0.58 0.07 0.00 -0.31 0.00 0.00 39.34 38.60 1e96 n TYR 64 CO 0.00 0.00 0.00 -0.44 -0.46 0.00 0.00 176.86 175.96 1e96 h ASP 65 N 2.56 -0.19 1.07 7.72 3.32 -1.36 -2.28 116.42 127.25 1e96 h ASP 65 Ca 0.17 0.12 -0.07 0.00 0.02 0.00 0.00 57.03 57.28 1e96 h ASP 65 Cb 2.06 0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.81 1e96 h ASP 65 CO 0.58 -0.07 -0.32 0.08 -1.72 0.00 0.00 179.24 177.79 1e96 h ARG 66 N 0.14 0.00 0.00 3.56 -0.00 -1.86 -3.15 114.38 113.07 1e96 h ARG 66 Ca 0.27 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 60.25 1e96 h ARG 66 Cb 0.41 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.38 1e96 h ARG 66 CO -0.43 0.32 -0.50 1.37 -0.00 0.00 0.00 179.97 180.74 1e96 h LEU 67 N 0.00 0.00 -0.28 0.08 -0.00 -1.86 -3.39 115.31 109.86 1e96 h LEU 67 Ca -0.00 -0.15 0.05 0.00 -0.00 0.00 0.00 57.88 57.77 1e96 h LEU 67 Cb 0.94 0.00 -0.04 0.00 -0.00 0.00 0.00 40.66 41.56 1e96 h LEU 67 CO 0.04 0.08 0.01 -0.09 -0.00 0.00 0.00 178.44 178.48 1e96 h ARG 68 N 0.00 0.09 0.00 0.17 2.43 -1.37 -1.78 114.38 113.92 1e96 h ARG 68 Ca 0.00 -0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.16 1e96 h ARG 68 Cb 0.76 -0.02 0.00 0.00 -0.42 0.00 0.00 29.97 30.29 1e96 h ARG 68 CO 0.00 0.06 0.00 -2.30 -1.51 0.00 0.00 179.97 176.22 1e96 n PRO 69 N -5.15 0.00 0.28 0.20 -0.02 -1.26 -1.19 135.00 127.86 1e96 n PRO 69 Ca -0.00 0.43 0.19 0.00 -2.02 0.00 0.00 63.50 62.09 1e96 n PRO 69 Cb 0.14 -1.50 0.95 0.00 -0.02 0.00 0.00 33.50 33.08 1e96 n PRO 69 CO 0.00 0.00 0.00 -0.07 1.98 0.00 0.00 175.50 177.41 1e96 h LEU 70 N 0.00 0.00 0.00 2.45 3.38 -1.58 -1.61 115.31 117.95 1e96 h LEU 70 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1e96 h LEU 70 Cb 0.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.82 1e96 h LEU 70 CO 0.00 0.00 -0.70 -1.20 0.09 0.00 0.00 178.44 176.63 1e96 n SER 71 N -2.84 0.62 0.11 -0.43 7.64 -0.33 -4.69 113.62 113.71 1e96 n SER 71 Ca -0.02 -0.08 -0.18 0.00 1.01 0.00 0.00 58.87 59.61 1e96 n SER 71 Cb 0.11 0.36 -0.13 0.00 -1.01 0.00 0.00 64.21 63.53 1e96 n SER 71 CO 0.00 0.00 0.00 1.88 -3.01 0.00 0.00 175.04 173.91 1e96 h TYR 72 N 0.00 0.63 -4.00 1.43 0.05 -1.46 -3.47 116.97 110.14 1e96 h TYR 72 Ca 0.00 -0.44 -0.56 0.00 0.05 0.00 0.00 58.73 57.78 1e96 h TYR 72 Cb 0.67 -0.03 0.14 0.00 1.01 0.00 0.00 36.73 38.52 1e96 h TYR 72 CO 0.00 1.33 0.57 -2.30 -1.05 0.00 0.00 178.16 176.71 1e96 n PRO 73 N -3.61 1.61 -2.17 4.88 -0.02 -1.26 -3.07 135.00 131.36 1e96 n PRO 73 Ca -0.10 0.59 -0.13 0.00 -2.02 0.00 0.00 63.50 61.84 1e96 n PRO 73 Cb 1.01 -2.55 -0.01 0.00 -0.02 0.00 0.00 33.50 31.93 1e96 n PRO 73 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1e96 n GLN 74 N -1.09 -1.03 -3.16 -0.52 1.13 -1.26 -4.99 117.38 106.46 1e96 n GLN 74 Ca 0.11 0.66 -0.39 0.00 -1.94 0.00 0.00 57.00 55.44 1e96 n GLN 74 Cb 0.45 -4.87 -0.06 0.00 0.11 0.00 0.00 30.24 25.87 1e96 n GLN 74 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1e96 s THR 75 N -2.64 4.83 -0.13 5.09 2.01 -1.17 -4.77 115.64 118.85 1e96 s THR 75 Ca 0.00 1.34 -0.10 0.00 0.31 0.00 0.00 61.69 63.24 1e96 s THR 75 Cb 0.00 -3.97 -0.25 0.00 0.01 0.00 0.00 72.50 68.29 1e96 s THR 75 CO 0.00 0.43 0.35 0.47 -0.69 0.00 0.00 174.62 175.18 1e96 n ASP 76 N 2.55 2.08 -3.70 3.53 8.00 -0.56 -4.93 116.55 123.51 1e96 n ASP 76 Ca -0.06 0.26 -0.11 0.00 0.71 0.00 0.00 54.79 55.59 1e96 n ASP 76 Cb 0.51 -0.90 -0.11 0.00 -0.02 0.00 0.00 41.12 40.60 1e96 n ASP 76 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1e96 s VAL 77 N -2.52 -0.02 -0.15 2.53 0.11 -0.88 -4.05 120.40 115.41 1e96 s VAL 77 Ca -0.23 0.09 -0.07 0.00 -2.93 0.00 0.00 61.98 58.83 1e96 s VAL 77 Cb 0.06 -0.58 -0.04 0.00 -1.53 0.00 0.00 36.38 34.29 1e96 s VAL 77 CO 0.74 0.04 0.10 -0.36 -3.33 0.00 0.00 175.10 172.28 1e96 s PHE 78 N 1.25 3.39 -0.30 1.54 0.08 -0.76 -2.39 117.98 120.80 1e96 s PHE 78 Ca -0.08 0.30 -0.10 0.00 0.12 0.00 0.00 56.93 57.16 1e96 s PHE 78 Cb -0.08 -2.01 -0.03 0.00 -0.57 0.00 0.00 43.02 40.33 1e96 s PHE 78 CO -0.11 0.42 0.17 -0.51 -0.10 0.00 0.00 175.22 175.09 1e96 s LEU 79 N -0.26 4.04 -0.25 -0.37 1.43 -0.56 -0.65 118.68 122.07 1e96 s LEU 79 Ca 0.09 -0.27 -0.13 0.00 -1.03 0.00 0.00 54.13 52.79 1e96 s LEU 79 Cb -0.12 -2.06 -0.04 0.00 0.03 0.00 0.00 46.19 44.00 1e96 s LEU 79 CO 0.01 -0.13 0.29 -0.63 0.23 0.00 0.00 176.35 176.12 1e96 s ILE 80 N 1.69 5.25 -0.10 -0.59 1.01 -0.14 -1.34 121.20 126.98 1e96 s ILE 80 Ca 0.06 0.42 0.00 0.00 0.00 0.00 0.00 60.65 61.13 1e96 s ILE 80 Cb -0.16 -3.62 -0.02 0.00 0.01 0.00 0.00 42.46 38.66 1e96 s ILE 80 CO 0.08 0.24 -0.10 0.00 0.00 0.00 0.00 174.94 175.16 1e96 s PHE 82 N -0.18 0.63 -0.07 0.00 -0.71 -0.53 -3.95 117.98 113.17 1e96 s PHE 82 Ca 0.01 -0.59 -0.28 0.00 -1.04 0.00 0.00 56.93 55.03 1e96 s PHE 82 Cb -0.13 -0.38 -0.02 0.00 -1.21 0.00 0.00 43.02 41.27 1e96 s PHE 82 CO 0.03 -0.13 0.93 0.45 -1.34 0.00 0.00 175.22 175.16 1e96 s SER 83 N -1.84 7.21 0.63 1.98 0.15 -1.26 -0.36 113.70 120.21 1e96 s SER 83 Ca -0.07 1.48 0.33 0.00 0.70 0.00 0.00 55.95 58.39 1e96 s SER 83 Cb -0.07 -2.53 1.85 0.00 -1.71 0.00 0.00 66.02 63.56 1e96 s SER 83 CO -0.01 -0.32 2.12 -0.07 1.20 0.00 0.00 173.24 176.16 1e96 h LEU 84 N 7.42 0.00 -3.22 3.45 3.38 -1.30 -0.30 115.31 124.74 1e96 h LEU 84 Ca -0.36 0.00 -0.06 0.00 0.09 0.00 0.00 57.88 57.55 1e96 h LEU 84 Cb 1.18 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.89 1e96 h LEU 84 CO 0.80 0.00 -0.06 1.33 0.09 0.00 0.00 178.44 180.60 1e96 n VAL 85 N -3.38 2.29 -3.73 1.22 0.24 -1.26 -0.86 118.33 112.85 1e96 n VAL 85 Ca -0.00 -2.32 -0.30 0.00 -2.04 0.00 0.00 64.34 59.68 1e96 n VAL 85 Cb 0.28 -0.27 -0.13 0.00 -1.47 0.00 0.00 33.84 32.25 1e96 n VAL 85 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1e96 s SER 86 N -2.40 3.71 0.24 -1.34 0.15 -0.13 -4.97 113.70 108.97 1e96 s SER 86 Ca 0.41 -2.65 -0.04 0.00 0.70 0.00 0.00 55.95 54.37 1e96 s SER 86 Cb 0.35 -1.09 0.44 0.00 -1.71 0.00 0.00 66.02 64.02 1e96 s SER 86 CO 0.04 -0.27 1.76 -0.65 1.20 0.00 0.00 173.24 175.32 1e96 h PRO 87 N 6.72 0.54 -0.27 5.44 0.11 -1.86 -2.25 132.00 140.43 1e96 h PRO 87 Ca -0.02 -0.03 0.06 0.00 0.11 0.00 0.00 66.00 66.12 1e96 h PRO 87 Cb 0.93 -0.12 -0.08 0.00 0.11 0.00 0.00 31.00 31.84 1e96 h PRO 87 CO 0.50 0.36 -0.39 0.00 -0.21 0.00 0.00 178.00 178.25 1e96 h ALA 88 N 1.51 -0.43 -0.29 -0.75 0.00 -1.94 0.29 119.26 117.65 1e96 h ALA 88 Ca 0.41 0.04 0.09 0.00 0.00 0.00 0.00 54.91 55.44 1e96 h ALA 88 Cb 0.55 0.78 -0.01 0.00 0.00 0.00 0.00 17.79 19.11 1e96 h ALA 88 CO -0.35 -0.85 0.23 0.66 0.00 0.00 0.00 179.25 178.94 1e96 h SER 89 N -0.38 0.00 0.64 0.00 4.64 -1.78 0.40 113.55 117.07 1e96 h SER 89 Ca 0.12 0.00 -0.19 0.00 -0.47 0.00 0.00 61.79 61.24 1e96 h SER 89 Cb 0.59 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.66 1e96 h SER 89 CO -0.47 0.00 -0.88 0.15 -0.87 0.00 0.00 176.83 174.76 1e96 h PHE 90 N 0.00 0.23 -0.02 4.77 3.57 -0.33 -3.04 116.94 122.12 1e96 h PHE 90 Ca 0.14 -0.13 -0.15 0.00 3.53 0.00 0.00 57.97 61.36 1e96 h PHE 90 Cb 0.60 -0.03 -0.02 0.00 2.79 0.00 0.00 35.95 39.30 1e96 h PHE 90 CO 0.00 0.95 -0.67 1.49 -2.23 0.00 0.00 178.31 177.85 1e96 h GLU 91 N 0.08 0.08 0.00 1.11 4.57 0.15 -2.77 114.58 117.79 1e96 h GLU 91 Ca -0.04 -0.06 0.00 0.00 -1.18 0.00 0.00 59.36 58.08 1e96 h GLU 91 Cb 1.51 0.01 0.00 0.00 -0.16 0.00 0.00 28.75 30.11 1e96 h GLU 91 CO 0.13 0.72 0.00 0.09 -1.18 0.00 0.00 179.01 178.77 1e96 n ASN 92 N -3.77 0.00 0.00 1.04 3.02 -0.23 -1.44 115.26 113.89 1e96 n ASN 92 Ca -0.02 0.24 -0.13 0.00 -0.03 0.00 0.00 54.58 54.65 1e96 n ASN 92 Cb 0.66 -0.38 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 1e96 n ASN 92 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1e96 h VAL 93 N 0.00 1.30 0.26 2.41 2.07 -1.51 0.27 116.25 121.04 1e96 h VAL 93 Ca 0.00 -1.26 -0.01 0.00 0.82 0.00 0.00 66.70 66.25 1e96 h VAL 93 Cb 0.21 2.11 0.00 0.00 -1.52 0.00 0.00 31.29 32.09 1e96 h VAL 93 CO 0.00 0.31 -0.12 -0.09 0.02 0.00 0.00 177.57 177.69 1e96 h ARG 94 N -0.64 -0.33 -0.39 1.57 2.43 -1.65 -0.98 114.38 114.39 1e96 h ARG 94 Ca -0.01 0.02 -0.06 0.00 -0.81 0.00 0.00 59.98 59.13 1e96 h ARG 94 Cb 0.56 0.08 -0.02 0.00 -0.42 0.00 0.00 29.97 30.16 1e96 h ARG 94 CO 0.01 -0.02 0.01 0.00 -1.51 0.00 0.00 179.97 178.46 1e96 h ALA 95 N -0.04 1.28 0.00 2.80 0.00 -1.31 -3.39 119.26 118.60 1e96 h ALA 95 Ca -0.04 -0.22 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1e96 h ALA 95 Cb 0.47 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.09 1e96 h ALA 95 CO 0.06 0.49 -0.14 1.17 0.00 0.00 0.00 179.25 180.82 1e96 n LYS 96 N -4.26 0.00 -0.02 0.00 4.81 0.76 -4.81 118.16 114.65 1e96 n LYS 96 Ca 0.02 0.00 -0.12 0.00 -0.87 0.00 0.00 58.31 57.34 1e96 n LYS 96 Cb 0.26 -0.24 -0.07 0.00 0.02 0.00 0.00 35.03 35.00 1e96 n LYS 96 CO 0.00 0.00 0.00 -1.49 1.17 0.00 0.00 177.40 177.08 1e96 h TRP 97 N 0.00 0.16 0.29 5.64 4.06 -1.09 -0.59 115.95 124.41 1e96 h TRP 97 Ca 0.00 -0.02 -0.01 0.00 2.06 0.00 0.00 58.89 60.92 1e96 h TRP 97 Cb 0.14 -0.04 0.00 0.00 -1.00 0.00 0.00 29.16 28.26 1e96 h TRP 97 CO 0.00 0.31 -0.14 -0.92 -3.56 0.00 0.00 178.44 174.14 1e96 h TYR 98 N -0.05 -0.35 -1.00 0.49 3.20 -1.41 -0.90 116.97 116.94 1e96 h TYR 98 Ca 0.03 -0.01 0.16 0.00 3.14 0.00 0.00 58.73 62.05 1e96 h TYR 98 Cb 0.24 0.12 -0.10 0.00 1.54 0.00 0.00 36.73 38.53 1e96 h TYR 98 CO 0.00 -0.15 0.62 -1.35 -1.64 0.00 0.00 178.16 175.64 1e96 h PRO 99 N -0.49 0.84 -0.11 1.82 0.11 -1.75 -0.43 132.00 132.00 1e96 h PRO 99 Ca -0.04 -0.05 -0.04 0.00 0.11 0.00 0.00 66.00 65.98 1e96 h PRO 99 Cb 0.36 -0.19 -0.00 0.00 0.11 0.00 0.00 31.00 31.28 1e96 h PRO 99 CO 0.06 0.56 -0.10 1.49 -0.21 0.00 0.00 178.00 179.80 1e96 h GLU 100 N 0.86 0.25 -0.32 1.05 4.81 -0.92 -1.99 114.58 118.33 1e96 h GLU 100 Ca 0.54 -0.13 -0.10 0.00 -0.13 0.00 0.00 59.36 59.54 1e96 h GLU 100 Cb 0.72 0.00 -0.01 0.00 0.63 0.00 0.00 28.75 30.08 1e96 h GLU 100 CO -0.32 0.66 -0.22 0.28 -0.73 0.00 0.00 179.01 178.67 1e96 h VAL 101 N -0.14 1.27 -0.26 0.32 2.07 -0.80 -2.51 116.25 116.19 1e96 h VAL 101 Ca 0.02 -1.27 -0.16 0.00 0.82 0.00 0.00 66.70 66.11 1e96 h VAL 101 Cb 0.60 1.27 -0.01 0.00 -1.52 0.00 0.00 31.29 31.64 1e96 h VAL 101 CO 0.02 0.41 -0.48 -0.09 0.02 0.00 0.00 177.57 177.46 1e96 h ARG 102 N 0.54 0.71 -0.27 1.57 1.12 -1.12 0.10 114.38 117.03 1e96 h ARG 102 Ca 0.08 -0.41 -0.04 0.00 -1.11 0.00 0.00 59.98 58.50 1e96 h ARG 102 Cb 0.68 0.03 -0.01 0.00 -0.01 0.00 0.00 29.97 30.66 1e96 h ARG 102 CO 0.05 1.03 0.03 1.25 -3.11 0.00 0.00 179.97 179.21 1e96 h HIS 103 N 0.56 0.48 0.08 2.20 2.76 -1.23 -2.76 115.15 117.24 1e96 h HIS 103 Ca 0.03 -0.07 -0.25 0.00 -2.20 0.00 0.00 60.37 57.87 1e96 h HIS 103 Cb 1.04 -0.13 -0.00 0.00 1.55 0.00 0.00 27.41 29.87 1e96 h HIS 103 CO 0.05 0.58 -1.13 0.45 -1.30 0.00 0.00 177.93 176.59 1e96 h HIS 104 N 0.25 0.45 -2.25 5.26 3.86 -1.47 -3.42 115.15 117.83 1e96 h HIS 104 Ca 0.08 -0.30 -0.58 0.00 -1.16 0.00 0.00 60.37 58.41 1e96 h HIS 104 Cb 0.37 -0.03 -0.39 0.00 1.06 0.00 0.00 27.41 28.42 1e96 h HIS 104 CO 0.03 1.20 -1.00 0.00 0.86 0.00 0.00 177.93 179.01 1e96 s PRO 106 N -0.53 1.81 0.00 0.00 0.04 -1.04 -3.28 135.00 132.00 1e96 s PRO 106 Ca 0.34 1.38 0.00 0.00 0.04 0.00 0.00 61.00 62.76 1e96 s PRO 106 Cb 0.09 -1.83 0.00 0.00 0.04 0.00 0.00 34.50 32.80 1e96 s PRO 106 CO -0.16 -2.01 0.00 0.09 0.04 0.00 0.00 177.00 174.96 1e96 n ASN 107 N -3.65 0.00 -4.68 6.66 4.13 -1.26 -4.98 115.26 111.48 1e96 n ASN 107 Ca 0.11 0.00 -0.45 0.00 1.68 0.00 0.00 54.58 55.91 1e96 n ASN 107 Cb 0.52 0.00 -0.03 0.00 -1.54 0.00 0.00 39.78 38.73 1e96 n ASN 107 CO 0.00 0.00 0.00 0.41 0.28 0.00 0.00 177.26 177.95 1e96 n THR 108 N 0.00 0.48 -2.11 3.41 -1.04 -1.21 -4.91 114.28 108.90 1e96 n THR 108 Ca 0.00 -0.12 -0.41 0.00 -2.04 0.00 0.00 64.05 61.48 1e96 n THR 108 Cb 0.00 -1.54 -0.02 0.00 -1.82 0.00 0.00 70.33 66.95 1e96 n THR 108 CO 0.00 0.00 0.00 -2.84 -0.64 0.00 0.00 175.07 171.59 1e96 s PRO 109 N 0.25 4.35 -0.05 -2.82 0.02 -1.26 -4.88 135.00 130.61 1e96 s PRO 109 Ca 0.73 2.21 0.06 0.00 0.02 0.00 0.00 61.00 64.02 1e96 s PRO 109 Cb -0.65 -3.09 -0.01 0.00 0.02 0.00 0.00 34.50 30.77 1e96 s PRO 109 CO 0.44 -0.23 -0.24 0.42 -0.33 0.00 0.00 177.00 177.06 1e96 s ILE 110 N -0.82 1.94 -0.16 2.83 1.01 -1.26 -1.82 121.20 122.91 1e96 s ILE 110 Ca 0.51 -1.00 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 1e96 s ILE 110 Cb -0.40 -1.64 -0.03 0.00 0.01 0.00 0.00 42.46 40.40 1e96 s ILE 110 CO 0.50 0.54 -0.01 -0.63 0.00 0.00 0.00 174.94 175.34 1e96 s ILE 111 N -0.14 4.15 -0.15 2.92 1.01 0.18 -0.76 121.20 128.41 1e96 s ILE 111 Ca -0.03 -0.26 -0.19 0.00 0.00 0.00 0.00 60.65 60.17 1e96 s ILE 111 Cb -0.13 -2.83 -0.04 0.00 0.01 0.00 0.00 42.46 39.47 1e96 s ILE 111 CO 0.03 0.49 0.51 -0.22 0.00 0.00 0.00 174.94 175.75 1e96 s LEU 112 N 0.34 4.22 -0.21 2.97 2.96 -0.69 -0.97 118.68 127.30 1e96 s LEU 112 Ca -0.02 0.77 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1e96 s LEU 112 Cb -0.14 -2.72 0.04 0.00 0.50 0.00 0.00 46.19 43.88 1e96 s LEU 112 CO 0.02 -0.09 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.16 1e96 s VAL 113 N 1.11 1.76 -0.19 1.68 1.01 0.14 -1.66 120.40 124.24 1e96 s VAL 113 Ca 0.26 -1.11 -0.24 0.00 0.00 0.00 0.00 61.98 60.89 1e96 s VAL 113 Cb -0.15 -1.82 -0.02 0.00 0.00 0.00 0.00 36.38 34.39 1e96 s VAL 113 CO 0.10 0.16 0.76 -0.83 0.00 0.00 0.00 175.10 175.30 1e96 s GLY 114 N 1.34 2.01 0.39 4.51 0.00 -0.19 -1.45 107.32 113.93 1e96 s GLY 114 Ca -0.02 -0.11 0.08 0.00 0.00 0.00 0.00 44.72 44.67 1e96 s GLY 114 CO -0.08 1.58 0.43 -0.51 0.00 0.00 0.00 173.10 174.52 1e96 s THR 115 N 2.21 3.11 -1.35 0.90 -4.23 0.52 -1.06 115.64 115.73 1e96 s THR 115 Ca 0.34 -1.20 -0.06 0.00 -1.18 0.00 0.00 61.69 59.59 1e96 s THR 115 Cb -0.16 -3.09 0.01 0.00 1.34 0.00 0.00 72.50 70.60 1e96 s THR 115 CO 0.11 -0.05 0.81 0.29 -0.54 0.00 0.00 174.62 175.24 1e96 n LYS 116 N -1.62 -5.86 -0.33 3.99 5.02 -0.95 -0.90 118.16 117.51 1e96 n LYS 116 Ca 0.03 0.81 0.12 0.00 -2.02 0.00 0.00 58.31 57.26 1e96 n LYS 116 Cb 0.60 -5.59 0.31 0.00 -0.02 0.00 0.00 35.03 30.33 1e96 n LYS 116 CO 0.00 0.00 0.00 1.25 -0.52 0.00 0.00 177.40 178.13 1e96 h LEU 117 N -1.86 0.66 -1.84 -0.35 5.85 -1.50 -1.50 115.31 114.77 1e96 h LEU 117 Ca -0.51 0.11 0.13 0.00 0.84 0.00 0.00 57.88 58.45 1e96 h LEU 117 Cb 1.34 0.00 -0.03 0.00 0.37 0.00 0.00 40.66 42.34 1e96 h LEU 117 CO 0.52 0.20 0.39 -2.24 -0.34 0.00 0.00 178.44 176.97 1e96 h ASP 118 N 0.66 0.15 1.33 1.25 2.03 -1.90 -1.82 116.42 118.13 1e96 h ASP 118 Ca 0.56 0.01 0.00 0.00 -0.73 0.00 0.00 57.03 56.87 1e96 h ASP 118 Cb 0.92 -0.02 0.00 0.00 -0.83 0.00 0.00 39.33 39.39 1e96 h ASP 118 CO -0.41 0.08 -0.01 0.18 -1.03 0.00 0.00 179.24 178.06 1e96 n LEU 119 N -4.43 0.58 0.06 0.15 4.77 -0.56 -3.68 117.00 113.90 1e96 n LEU 119 Ca 0.10 0.55 0.03 0.00 -0.03 0.00 0.00 56.01 56.66 1e96 n LEU 119 Cb 0.51 -0.37 0.41 0.00 -2.33 0.00 0.00 43.42 41.64 1e96 n LEU 119 CO 0.35 -0.13 1.02 -0.09 -1.33 0.00 0.00 177.39 177.22 1e96 h ARG 120 N 0.00 0.39 -0.34 3.23 2.43 -1.38 -2.04 114.38 116.67 1e96 h ARG 120 Ca 0.00 -0.05 0.00 0.00 -0.81 0.00 0.00 59.98 59.12 1e96 h ARG 120 Cb 0.67 -0.07 0.00 0.00 -0.42 0.00 0.00 29.97 30.15 1e96 h ARG 120 CO 0.00 0.37 0.00 -0.25 -1.51 0.00 0.00 179.97 178.58 1e96 n ASP 121 N -4.38 3.41 -4.68 -3.80 9.92 -1.24 -4.82 116.55 110.96 1e96 n ASP 121 Ca 0.01 -2.00 -0.43 0.00 -0.53 0.00 0.00 54.79 51.85 1e96 n ASP 121 Cb 0.16 -0.21 -0.02 0.00 -0.64 0.00 0.00 41.12 40.40 1e96 n ASP 121 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1e96 s ASP 122 N -1.57 7.18 0.12 -2.24 2.15 -0.77 -4.98 116.67 116.56 1e96 s ASP 122 Ca 0.37 1.51 -0.24 0.00 0.43 0.00 0.00 52.55 54.62 1e96 s ASP 122 Cb 0.23 -2.55 -0.07 0.00 -0.30 0.00 0.00 42.92 40.23 1e96 s ASP 122 CO 0.32 -0.53 1.68 0.50 -0.17 0.00 0.00 175.17 176.96 1e96 h LYS 123 N 7.25 -0.23 -0.84 4.34 3.64 -1.92 -0.02 116.57 128.79 1e96 h LYS 123 Ca -0.27 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.21 1e96 h LYS 123 Cb 1.12 0.05 -0.06 0.00 -0.41 0.00 0.00 32.23 32.93 1e96 h LYS 123 CO 0.90 -0.15 0.55 -0.44 -2.27 0.00 0.00 179.45 178.03 1e96 h ASP 124 N -0.24 0.74 0.10 4.20 3.32 -1.96 -0.44 116.42 122.14 1e96 h ASP 124 Ca 0.05 0.02 -0.00 0.00 0.02 0.00 0.00 57.03 57.12 1e96 h ASP 124 Cb 0.31 -0.14 0.00 0.00 0.22 0.00 0.00 39.33 39.72 1e96 h ASP 124 CO -0.15 0.44 -0.05 0.74 -1.72 0.00 0.00 179.24 178.51 1e96 h THR 125 N 0.82 1.13 -0.39 0.35 2.02 -1.69 -1.68 112.91 113.47 1e96 h THR 125 Ca 0.38 -1.13 0.08 0.00 0.77 0.00 0.00 66.41 66.52 1e96 h THR 125 Cb 0.40 1.82 -0.07 0.00 -1.74 0.00 0.00 68.15 68.55 1e96 h THR 125 CO -0.15 0.26 -0.11 0.40 0.37 0.00 0.00 175.52 176.29 1e96 h ILE 126 N -0.68 0.59 -0.90 3.11 5.03 -0.84 -1.59 117.51 122.24 1e96 h ILE 126 Ca -0.01 0.00 0.05 0.00 -0.12 0.00 0.00 64.86 64.77 1e96 h ILE 126 Cb 0.53 0.59 -0.06 0.00 -3.03 0.00 0.00 36.82 34.86 1e96 h ILE 126 CO 0.02 0.00 0.58 -0.08 -0.68 0.00 0.00 178.15 177.99 1e96 h GLU 127 N -0.01 1.06 -0.31 2.37 4.57 -1.09 0.48 114.58 121.65 1e96 h GLU 127 Ca 0.19 -0.06 -0.10 0.00 -1.18 0.00 0.00 59.36 58.20 1e96 h GLU 127 Cb 0.30 -0.24 -0.01 0.00 -0.16 0.00 0.00 28.75 28.63 1e96 h GLU 127 CO -0.41 0.70 -0.24 0.87 -1.18 0.00 0.00 179.01 178.76 1e96 h LYS 128 N 1.09 0.61 -0.61 1.92 6.56 -0.83 -1.69 116.57 123.63 1e96 h LYS 128 Ca 0.37 -0.24 -0.05 0.00 -1.06 0.00 0.00 60.65 59.68 1e96 h LYS 128 Cb 0.08 -0.03 -0.03 0.00 -0.57 0.00 0.00 32.23 31.68 1e96 h LYS 128 CO -0.14 0.80 0.20 -0.07 -2.06 0.00 0.00 179.45 178.18 1e96 h LEU 129 N 0.54 0.87 -0.78 2.94 3.38 -0.29 -2.96 115.31 119.02 1e96 h LEU 129 Ca 0.08 -0.20 0.04 0.00 0.09 0.00 0.00 57.88 57.89 1e96 h LEU 129 Cb 0.69 -0.23 -0.05 0.00 0.09 0.00 0.00 40.66 41.17 1e96 h LEU 129 CO 0.05 0.84 0.49 0.11 0.09 0.00 0.00 178.44 180.02 1e96 h LYS 130 N 0.86 0.91 0.00 1.13 1.57 -0.55 0.71 116.57 121.20 1e96 h LYS 130 Ca 0.20 -0.05 -0.02 0.00 -1.87 0.00 0.00 60.65 58.91 1e96 h LYS 130 Cb 0.27 -0.21 -0.00 0.00 0.08 0.00 0.00 32.23 32.37 1e96 h LYS 130 CO -0.01 0.60 -0.08 0.93 -0.57 0.00 0.00 179.45 180.33 1e96 h GLU 131 N 0.94 0.00 -0.63 3.15 5.08 -1.16 0.96 114.58 122.92 1e96 h GLU 131 Ca 0.32 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.68 1e96 h GLU 131 Cb 0.05 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.30 1e96 h GLU 131 CO -0.13 0.08 0.00 1.63 -1.00 0.00 0.00 179.01 179.59 1e96 n LYS 132 N -4.00 3.15 -1.78 2.33 4.76 -0.46 -4.91 118.16 117.26 1e96 n LYS 132 Ca -0.03 -2.36 -0.18 0.00 -2.87 0.00 0.00 58.31 52.88 1e96 n LYS 132 Cb 0.16 -1.74 -0.06 0.00 -1.84 0.00 0.00 35.03 31.55 1e96 n LYS 132 CO 0.00 0.00 0.00 1.63 -1.37 0.00 0.00 177.40 177.66 1e96 n LYS 133 N 0.97 -1.33 -3.78 1.97 4.01 0.33 -4.98 118.16 115.36 1e96 n LYS 133 Ca 0.21 1.07 -0.23 0.00 -0.51 0.00 0.00 58.31 58.85 1e96 n LYS 133 Cb 0.73 -5.41 -0.03 0.00 -0.51 0.00 0.00 35.03 29.80 1e96 n LYS 133 CO 0.00 0.00 0.00 -0.51 -1.11 0.00 0.00 177.40 175.78 1e96 s LEU 134 N -4.49 3.13 0.00 -0.35 1.43 0.24 -4.95 118.68 113.69 1e96 s LEU 134 Ca 0.00 -0.97 -0.03 0.00 -1.03 0.00 0.00 54.13 52.11 1e96 s LEU 134 Cb 0.00 -1.66 -0.01 0.00 0.03 0.00 0.00 46.19 44.55 1e96 s LEU 134 CO 0.00 -0.77 0.04 -0.89 0.23 0.00 0.00 176.35 174.97 1e96 s THR 135 N -2.59 0.07 0.96 5.49 2.01 -1.26 -3.44 115.64 116.88 1e96 s THR 135 Ca 0.43 -0.61 -0.11 0.00 0.31 0.00 0.00 61.69 61.71 1e96 s THR 135 Cb -0.01 -0.27 0.17 0.00 0.01 0.00 0.00 72.50 72.40 1e96 s THR 135 CO 0.25 -0.33 1.10 -2.84 -0.69 0.00 0.00 174.62 172.11 1e96 s PRO 136 N -1.05 0.68 -0.00 4.92 0.02 -1.26 -4.76 135.00 133.55 1e96 s PRO 136 Ca -0.11 1.25 -0.24 0.00 0.02 0.00 0.00 61.00 61.91 1e96 s PRO 136 Cb -0.07 -1.71 -0.05 0.00 0.02 0.00 0.00 34.50 32.70 1e96 s PRO 136 CO 0.00 -2.76 0.73 0.42 -0.33 0.00 0.00 177.00 175.06 1e96 s ILE 137 N -2.66 4.88 0.36 2.83 -1.09 -0.04 -5.03 121.20 120.45 1e96 s ILE 137 Ca 0.66 1.53 0.07 0.00 -2.23 0.00 0.00 60.65 60.68 1e96 s ILE 137 Cb -0.22 -4.07 -0.01 0.00 -1.58 0.00 0.00 42.46 36.58 1e96 s ILE 137 CO 0.59 0.32 0.47 0.42 -1.23 0.00 0.00 174.94 175.51 1e96 s THR 138 N 0.29 3.62 0.16 2.92 -4.23 -1.26 -4.91 115.64 112.24 1e96 s THR 138 Ca 0.38 -1.07 -0.18 0.00 -1.18 0.00 0.00 61.69 59.64 1e96 s THR 138 Cb -0.19 -3.24 0.09 0.00 1.34 0.00 0.00 72.50 70.49 1e96 s THR 138 CO 0.21 -0.11 1.66 0.22 -0.54 0.00 0.00 174.62 176.06 1e96 h TYR 139 N 0.88 -0.30 -0.60 3.99 5.03 -1.98 0.19 116.97 124.18 1e96 h TYR 139 Ca -0.44 0.04 0.02 0.00 2.58 0.00 0.00 58.73 60.93 1e96 h TYR 139 Cb 1.26 0.19 -0.03 0.00 1.55 0.00 0.00 36.73 39.70 1e96 h TYR 139 CO 0.44 -0.21 0.38 -1.35 -1.32 0.00 0.00 178.16 176.10 1e96 h PRO 140 N -0.05 0.75 -0.28 1.82 0.11 -1.98 0.36 132.00 132.73 1e96 h PRO 140 Ca 0.19 -0.04 -0.01 0.00 0.11 0.00 0.00 66.00 66.24 1e96 h PRO 140 Cb 0.33 -0.17 -0.01 0.00 0.11 0.00 0.00 31.00 31.26 1e96 h PRO 140 CO -0.42 0.49 0.14 1.96 -0.21 0.00 0.00 178.00 179.96 1e96 h GLN 141 N 0.77 0.40 -0.05 1.05 4.20 -1.88 0.77 115.11 120.37 1e96 h GLN 141 Ca 0.23 -0.06 0.04 0.00 0.06 0.00 0.00 58.65 58.92 1e96 h GLN 141 Cb -0.04 -0.07 -0.05 0.00 0.30 0.00 0.00 27.48 27.62 1e96 h GLN 141 CO -0.07 0.38 -0.24 0.78 -0.67 0.00 0.00 178.83 179.01 1e96 h GLY 142 N 0.32 -0.33 1.56 3.46 0.00 -0.01 -1.80 103.07 106.26 1e96 h GLY 142 Ca 0.10 0.29 0.02 0.00 0.00 0.00 0.00 47.33 47.73 1e96 h GLY 142 CO -0.01 -0.20 0.27 -2.00 0.00 0.00 0.00 176.54 174.60 1e96 h LEU 143 N -0.35 0.42 -0.58 3.11 5.85 -0.05 -2.09 115.31 121.63 1e96 h LEU 143 Ca 0.08 -0.01 -0.09 0.00 0.84 0.00 0.00 57.88 58.70 1e96 h LEU 143 Cb 0.46 -0.10 -0.01 0.00 0.37 0.00 0.00 40.66 41.37 1e96 h LEU 143 CO -0.25 0.30 -0.42 0.00 -0.34 0.00 0.00 178.44 177.73 1e96 h ALA 144 N 1.76 0.86 -0.12 1.25 0.00 -0.18 -2.09 119.26 120.73 1e96 h ALA 144 Ca 0.16 -0.39 -0.21 0.00 0.00 0.00 0.00 54.91 54.47 1e96 h ALA 144 Cb 0.02 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1e96 h ALA 144 CO -0.04 0.53 -0.76 1.98 0.00 0.00 0.00 179.25 180.97 1e96 h MET 145 N 0.00 0.63 -0.40 0.00 1.85 -0.70 -1.42 114.93 114.90 1e96 h MET 145 Ca -0.00 -0.52 -0.01 0.00 -0.61 0.00 0.00 59.70 58.56 1e96 h MET 145 Cb 1.09 0.11 -0.02 0.00 0.43 0.00 0.00 31.60 33.21 1e96 h MET 145 CO 0.06 1.14 0.22 0.00 -0.40 0.00 0.00 176.91 177.92 1e96 h ALA 146 N 0.72 0.51 -0.65 0.39 0.00 -1.18 0.07 119.26 119.12 1e96 h ALA 146 Ca -0.04 -0.08 -0.05 0.00 0.00 0.00 0.00 54.91 54.74 1e96 h ALA 146 Cb 1.36 -0.16 -0.03 0.00 0.00 0.00 0.00 17.79 18.97 1e96 h ALA 146 CO 0.15 0.03 0.21 0.87 0.00 0.00 0.00 179.25 180.50 1e96 h LYS 147 N 0.51 1.01 -0.61 0.00 1.57 -1.35 0.21 116.57 117.91 1e96 h LYS 147 Ca 0.14 -0.22 0.02 0.00 -1.87 0.00 0.00 60.65 58.72 1e96 h LYS 147 Cb 0.05 -0.15 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1e96 h LYS 147 CO -0.02 0.88 0.39 1.49 -0.57 0.00 0.00 179.45 181.62 1e96 h GLU 148 N 0.94 0.77 -0.26 3.15 4.81 -0.48 -2.01 114.58 121.49 1e96 h GLU 148 Ca 0.21 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.39 1e96 h GLU 148 Cb 0.29 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.50 1e96 h GLU 148 CO -0.01 0.51 0.00 0.44 -0.73 0.00 0.00 179.01 179.22 1e96 n ILE 149 N -4.69 0.34 -1.98 2.32 -5.35 -0.06 -4.94 119.36 105.01 1e96 n ILE 149 Ca 0.05 -0.47 -0.07 0.00 -0.27 0.00 0.00 62.75 61.99 1e96 n ILE 149 Cb 0.05 0.46 -0.01 0.00 -1.74 0.00 0.00 39.64 38.40 1e96 n ILE 149 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1e96 n GLY 150 N 1.21 0.22 3.78 3.28 0.00 -0.75 -5.02 105.19 107.91 1e96 n GLY 150 Ca 0.16 -0.60 -0.34 0.00 0.00 0.00 0.00 46.02 45.24 1e96 n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1e96 s ALA 151 N -2.36 2.69 -0.68 4.61 0.00 0.68 -4.73 121.76 121.96 1e96 s ALA 151 Ca 0.00 0.70 0.25 0.00 0.00 0.00 0.00 51.96 52.91 1e96 s ALA 151 Cb 0.00 -3.32 0.57 0.00 0.00 0.00 0.00 23.12 20.37 1e96 s ALA 151 CO 0.00 -0.79 1.54 1.33 0.00 0.00 0.00 175.76 177.85 1e96 n VAL 152 N -1.52 0.48 -3.53 0.00 0.24 0.06 -4.72 118.33 109.35 1e96 n VAL 152 Ca 0.11 -0.28 -0.14 0.00 -2.04 0.00 0.00 64.34 61.98 1e96 n VAL 152 Cb 0.52 -0.35 -0.05 0.00 -1.47 0.00 0.00 33.84 32.49 1e96 n VAL 152 CO 0.00 0.00 0.00 -0.75 -2.14 0.00 0.00 176.83 173.94 1e96 s LYS 153 N -3.13 1.10 -0.07 7.34 2.20 -1.25 -5.06 119.74 120.85 1e96 s LYS 153 Ca 0.08 -0.17 0.04 0.00 -0.36 0.00 0.00 55.97 55.57 1e96 s LYS 153 Cb 0.13 0.51 0.00 0.00 -1.51 0.00 0.00 37.83 36.95 1e96 s LYS 153 CO 0.66 -0.40 -0.20 -0.47 -0.36 0.00 0.00 175.35 174.57 1e96 s TYR 154 N -2.43 2.14 -0.01 4.03 5.04 -1.26 -1.70 117.35 123.15 1e96 s TYR 154 Ca -0.05 -0.77 -0.03 0.00 -2.44 0.00 0.00 57.07 53.78 1e96 s TYR 154 Cb -0.01 -1.44 -0.00 0.00 0.35 0.00 0.00 41.96 40.86 1e96 s TYR 154 CO -0.01 -0.30 0.06 -0.51 -1.34 0.00 0.00 175.55 173.45 1e96 s LEU 155 N 0.26 1.80 0.09 6.97 1.43 -0.66 -5.00 118.68 123.57 1e96 s LEU 155 Ca -0.12 -0.07 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1e96 s LEU 155 Cb -0.15 0.30 -0.04 0.00 0.03 0.00 0.00 46.19 46.33 1e96 s LEU 155 CO 0.06 -0.16 -0.14 -1.61 0.23 0.00 0.00 176.35 174.73 1e96 s GLU 156 N -0.58 2.02 0.25 1.70 2.02 -1.26 -1.02 118.70 121.82 1e96 s GLU 156 Ca -0.07 -1.05 -0.22 0.00 0.02 0.00 0.00 54.97 53.65 1e96 s GLU 156 Cb -0.04 -2.23 0.03 0.00 0.10 0.00 0.00 34.13 31.99 1e96 s GLU 156 CO 0.00 0.51 0.78 0.00 0.02 0.00 0.00 175.26 176.58 1e96 s SER 158 N -2.93 1.13 0.44 0.00 0.15 -0.45 -1.41 113.70 110.64 1e96 s SER 158 Ca 0.11 -0.11 0.25 0.00 0.70 0.00 0.00 55.95 56.90 1e96 s SER 158 Cb -0.05 -0.43 0.66 0.00 -1.71 0.00 0.00 66.02 64.50 1e96 s SER 158 CO 0.06 -0.11 1.72 0.00 1.20 0.00 0.00 173.24 176.11 1e96 h ALA 159 N 7.60 0.95 0.10 5.45 0.00 -1.90 0.58 119.26 132.05 1e96 h ALA 159 Ca -0.32 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 54.48 1e96 h ALA 159 Cb 1.14 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1e96 h ALA 159 CO 0.40 0.15 -0.05 1.25 0.00 0.00 0.00 179.25 181.00 1e96 h LEU 160 N 0.00 -0.11 0.00 0.00 6.46 -1.95 -3.34 115.31 116.37 1e96 h LEU 160 Ca -0.00 -0.25 0.00 0.00 -0.12 0.00 0.00 57.88 57.51 1e96 h LEU 160 Cb 0.89 0.03 0.00 0.00 -0.73 0.00 0.00 40.66 40.85 1e96 h LEU 160 CO 0.02 0.48 -0.43 0.71 -0.62 0.00 0.00 178.44 178.59 1e96 h THR 161 N -0.99 0.00 0.00 1.05 1.35 -2.00 -3.47 112.91 108.84 1e96 h THR 161 Ca -0.01 -0.64 0.00 0.00 -0.55 0.00 0.00 66.41 65.20 1e96 h THR 161 Cb 0.36 1.38 0.00 0.00 -1.73 0.00 0.00 68.15 68.16 1e96 h THR 161 CO 0.02 0.00 0.00 0.00 -0.25 0.00 0.00 175.52 175.29 1e96 n GLN 162 N -2.39 -0.30 -2.06 4.72 6.02 0.19 -4.98 117.38 118.58 1e96 n GLN 162 Ca 0.03 0.08 -0.42 0.00 -0.01 0.00 0.00 57.00 56.68 1e96 n GLN 162 Cb 0.47 -3.28 -0.03 0.00 1.02 0.00 0.00 30.24 28.42 1e96 n GLN 162 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1e96 s ARG 163 N -0.35 4.28 0.00 -1.09 3.52 -1.21 -2.43 118.95 121.66 1e96 s ARG 163 Ca 0.00 2.22 0.00 0.00 -0.13 0.00 0.00 55.73 57.82 1e96 s ARG 163 Cb 0.00 -3.19 0.00 0.00 -1.56 0.00 0.00 34.95 30.20 1e96 s ARG 163 CO 0.00 -0.49 0.00 0.41 -0.81 0.00 0.00 175.30 174.41 1e96 n GLY 164 N 3.33 1.74 0.09 8.12 0.00 -1.26 -1.34 105.19 115.87 1e96 n GLY 164 Ca 0.11 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.01 1e96 n GLY 164 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1e96 h LEU 165 N 0.00 -0.08 -0.93 0.99 5.85 -1.75 -2.38 115.31 117.01 1e96 h LEU 165 Ca 0.00 -0.41 0.09 0.00 0.84 0.00 0.00 57.88 58.39 1e96 h LEU 165 Cb 0.00 0.02 -0.07 0.00 0.37 0.00 0.00 40.66 40.98 1e96 h LEU 165 CO 0.00 0.39 0.58 0.11 -0.34 0.00 0.00 178.44 179.17 1e96 h LYS 166 N -0.57 0.96 -0.41 1.25 1.57 -1.91 -2.20 116.57 115.25 1e96 h LYS 166 Ca -0.01 -0.06 -0.10 0.00 -1.87 0.00 0.00 60.65 58.62 1e96 h LYS 166 Cb 0.49 -0.22 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1e96 h LYS 166 CO 0.02 0.64 -0.14 1.15 -0.57 0.00 0.00 179.45 180.55 1e96 h THR 167 N 0.99 1.26 -0.70 -0.16 2.02 -1.94 -2.10 112.91 112.29 1e96 h THR 167 Ca 0.43 -1.20 0.14 0.00 0.77 0.00 0.00 66.41 66.55 1e96 h THR 167 Cb 0.30 1.09 -0.09 0.00 -1.74 0.00 0.00 68.15 67.70 1e96 h THR 167 CO -0.21 0.41 0.21 0.58 0.37 0.00 0.00 175.52 176.87 1e96 h VAL 168 N 0.68 0.62 0.00 3.16 2.07 -0.85 -1.78 116.25 120.15 1e96 h VAL 168 Ca 0.11 -0.12 -0.20 0.00 0.82 0.00 0.00 66.70 67.31 1e96 h VAL 168 Cb 0.61 0.25 -0.03 0.00 -1.52 0.00 0.00 31.29 30.60 1e96 h VAL 168 CO 0.04 0.06 -1.13 -0.26 0.02 0.00 0.00 177.57 176.30 1e96 h PHE 169 N 0.34 0.00 -0.52 1.57 0.04 -1.47 -2.53 116.94 114.37 1e96 h PHE 169 Ca 0.38 0.00 -0.05 0.00 2.80 0.00 0.00 57.97 61.10 1e96 h PHE 169 Cb 0.59 0.00 -0.02 0.00 2.20 0.00 0.00 35.95 38.72 1e96 h PHE 169 CO -0.22 0.84 0.14 -0.44 -0.60 0.00 0.00 178.31 178.03 1e96 h ASP 170 N 0.00 0.78 0.46 2.17 3.32 -1.18 -2.29 116.42 119.67 1e96 h ASP 170 Ca -0.10 -0.23 -0.11 0.00 0.02 0.00 0.00 57.03 56.62 1e96 h ASP 170 Cb 1.73 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 41.06 1e96 h ASP 170 CO 0.09 0.80 -0.51 -0.33 -1.72 0.00 0.00 179.24 177.58 1e96 h GLU 171 N 0.72 0.06 -0.42 3.56 4.39 -1.36 0.53 114.58 122.07 1e96 h GLU 171 Ca 0.16 -0.03 -0.05 0.00 0.34 0.00 0.00 59.36 59.78 1e96 h GLU 171 Cb 0.32 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 28.96 1e96 h GLU 171 CO -0.00 0.56 0.07 0.00 -1.16 0.00 0.00 179.01 178.48 1e96 h ALA 172 N 1.44 0.56 -0.04 3.43 0.00 -1.23 -1.14 119.26 122.28 1e96 h ALA 172 Ca -0.00 -0.22 -0.00 0.00 0.00 0.00 0.00 54.91 54.69 1e96 h ALA 172 Cb 0.92 -0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.55 1e96 h ALA 172 CO 0.07 0.27 0.00 0.82 0.00 0.00 0.00 179.25 180.42 1e96 h ILE 173 N 0.55 1.22 -0.96 0.00 2.04 -1.16 -3.16 117.51 116.05 1e96 h ILE 173 Ca 0.13 -0.65 0.12 0.00 1.00 0.00 0.00 64.86 65.45 1e96 h ILE 173 Cb 0.37 1.59 -0.08 0.00 -0.74 0.00 0.00 36.82 37.96 1e96 h ILE 173 CO 0.01 0.18 0.61 0.03 0.00 0.00 0.00 178.15 178.97 1e96 h ARG 174 N -0.20 0.88 0.00 2.37 3.08 -0.81 0.59 114.38 120.29 1e96 h ARG 174 Ca 0.01 -0.05 0.00 0.00 0.07 0.00 0.00 59.98 60.01 1e96 h ARG 174 Cb 0.28 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1e96 h ARG 174 CO 0.00 0.58 0.00 0.00 -1.07 0.00 0.00 179.97 179.48 1e96 h ALA 175 N 1.56 1.00 0.00 0.04 0.00 -1.17 0.13 119.26 120.81 1e96 h ALA 175 Ca 0.47 0.00 -0.28 0.00 0.00 0.00 0.00 54.91 55.10 1e96 h ALA 175 Cb 0.52 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.27 1e96 h ALA 175 CO -0.23 0.00 -1.89 0.28 0.00 0.00 0.00 179.25 177.41 1e96 n VAL 176 N -2.64 1.26 -0.24 0.00 0.31 0.04 -4.52 118.33 112.55 1e96 n VAL 176 Ca -0.01 -0.19 -0.04 0.00 -0.01 0.00 0.00 64.34 64.10 1e96 n VAL 176 Cb 0.11 -1.89 0.14 0.00 -0.91 0.00 0.00 33.84 31.29 1e96 n VAL 176 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 1e96 h LEU 177 N -0.79 0.97 0.00 7.52 3.38 -1.15 -3.52 115.31 121.72 1e96 h LEU 177 Ca -0.43 -0.13 0.00 0.00 0.09 0.00 0.00 57.88 57.41 1e96 h LEU 177 Cb 1.32 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1e96 h LEU 177 CO -0.26 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.12