#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 821p s THR 2 N 0.00 2.04 -0.01 3.17 2.01 -1.26 -4.82 115.64 116.77 821p s THR 2 Ca 0.00 0.03 0.05 0.00 0.31 0.00 0.00 61.69 62.08 821p s THR 2 Cb 0.00 -3.02 -0.03 0.00 0.01 0.00 0.00 72.50 69.46 821p s THR 2 CO 0.00 0.00 -0.15 -1.61 -0.69 0.00 0.00 174.62 172.17 821p s GLU 3 N 0.45 2.32 -0.17 4.92 2.02 -1.26 -1.06 118.70 125.92 821p s GLU 3 Ca 0.70 -0.82 0.01 0.00 0.02 0.00 0.00 54.97 54.88 821p s GLU 3 Cb -0.49 -2.30 0.01 0.00 0.10 0.00 0.00 34.13 31.45 821p s GLU 3 CO 0.39 0.59 -0.19 0.71 0.02 0.00 0.00 175.26 176.77 821p s TYR 4 N -0.84 2.76 -0.49 1.61 2.02 -0.08 -4.95 117.35 117.37 821p s TYR 4 Ca 0.13 -1.42 -0.16 0.00 -0.37 0.00 0.00 57.07 55.25 821p s TYR 4 Cb -0.11 -1.89 0.08 0.00 -0.40 0.00 0.00 41.96 39.64 821p s TYR 4 CO 0.03 -0.68 0.47 0.21 -1.57 0.00 0.00 175.55 174.01 821p s LYS 5 N 1.08 3.01 -0.03 -0.62 2.36 -1.26 -0.84 119.74 123.45 821p s LYS 5 Ca -0.00 -1.32 -0.01 0.00 -2.55 0.00 0.00 55.97 52.08 821p s LYS 5 Cb -0.14 -4.16 -0.04 0.00 -1.05 0.00 0.00 37.83 32.44 821p s LYS 5 CO -0.07 -1.13 0.07 -0.51 1.55 0.00 0.00 175.35 175.26 821p s LEU 6 N 1.86 3.88 -0.06 5.43 1.43 -0.09 -0.44 118.68 130.68 821p s LEU 6 Ca 0.06 0.17 0.03 0.00 -1.03 0.00 0.00 54.13 53.36 821p s LEU 6 Cb -0.24 -2.18 0.01 0.00 0.03 0.00 0.00 46.19 43.80 821p s LEU 6 CO 0.07 0.30 -0.15 -0.69 0.23 0.00 0.00 176.35 176.11 821p s VAL 7 N -1.13 1.30 -0.27 -1.59 1.01 -0.02 -0.87 120.40 118.83 821p s VAL 7 Ca 0.21 -0.59 -0.09 0.00 0.00 0.00 0.00 61.98 61.50 821p s VAL 7 Cb -0.12 -1.16 -0.04 0.00 0.00 0.00 0.00 36.38 35.06 821p s VAL 7 CO 0.11 0.39 0.14 -0.69 0.00 0.00 0.00 175.10 175.05 821p s VAL 8 N 0.48 4.89 0.15 2.92 1.01 -0.34 -0.78 120.40 128.72 821p s VAL 8 Ca -0.13 0.02 0.05 0.00 0.00 0.00 0.00 61.98 61.92 821p s VAL 8 Cb -0.15 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.87 821p s VAL 8 CO 0.04 0.28 -0.12 0.68 0.00 0.00 0.00 175.10 175.98 821p s VAL 9 N 1.70 1.29 0.00 2.92 -7.23 -0.34 -3.09 120.40 115.65 821p s VAL 9 Ca 0.07 -1.98 0.00 0.00 -1.81 0.00 0.00 61.98 58.25 821p s VAL 9 Cb -0.16 -1.78 0.00 0.00 0.56 0.00 0.00 36.38 35.01 821p s VAL 9 CO 0.08 -0.63 0.00 0.61 -0.31 0.00 0.00 175.10 174.85 821p n GLY 10 N -0.01 2.97 3.69 2.32 0.00 -1.26 -1.11 105.19 111.78 821p n GLY 10 Ca -0.11 -1.33 -0.33 0.00 0.00 0.00 0.00 46.02 44.24 821p n GLY 10 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 821p s ALA 11 N -2.00 1.80 0.19 4.61 0.00 -1.26 -4.21 121.76 120.90 821p s ALA 11 Ca 0.00 0.83 -0.33 0.00 0.00 0.00 0.00 51.96 52.46 821p s ALA 11 Cb 0.00 -3.49 -0.14 0.00 0.00 0.00 0.00 23.12 19.48 821p s ALA 11 CO 0.00 -2.34 1.36 -2.30 0.00 0.00 0.00 175.76 172.48 821p n PRO 12 N -3.38 1.71 -1.00 0.00 -0.02 -1.26 -2.96 135.00 128.09 821p n PRO 12 Ca 0.13 0.61 0.00 0.00 -2.02 0.00 0.00 63.50 62.22 821p n PRO 12 Cb 0.51 -2.24 0.00 0.00 -0.02 0.00 0.00 33.50 31.75 821p n PRO 12 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 821p n GLY 13 N 2.36 0.59 0.08 -1.23 0.00 -1.26 -4.93 105.19 100.80 821p n GLY 13 Ca 0.14 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.29 821p n GLY 13 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 821p n VAL 14 N -2.82 0.49 0.00 1.61 0.24 -1.15 -4.91 118.33 111.78 821p n VAL 14 Ca 0.00 -0.20 0.00 0.00 -2.04 0.00 0.00 64.34 62.10 821p n VAL 14 Cb 0.00 -0.60 0.00 0.00 -1.47 0.00 0.00 33.84 31.77 821p n VAL 14 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 821p n GLY 15 N 1.27 1.74 0.16 7.63 0.00 -1.26 -4.59 105.19 110.14 821p n GLY 15 Ca 0.06 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.97 821p n GLY 15 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 821p h LYS 16 N 0.00 -0.17 -0.17 1.61 1.57 -1.91 -1.06 116.57 116.44 821p h LYS 16 Ca 0.00 0.01 -0.04 0.00 -1.87 0.00 0.00 60.65 58.75 821p h LYS 16 Cb 0.00 0.04 -0.01 0.00 0.08 0.00 0.00 32.23 32.34 821p h LYS 16 CO 0.00 -0.11 -0.04 0.77 -0.57 0.00 0.00 179.45 179.50 821p h SER 17 N -0.18 0.32 -0.78 0.86 0.02 -1.96 -2.22 113.55 109.61 821p h SER 17 Ca 0.06 -0.37 0.04 0.00 -0.84 0.00 0.00 61.79 60.67 821p h SER 17 Cb 0.25 -0.09 -0.04 0.00 0.14 0.00 0.00 62.40 62.66 821p h SER 17 CO -0.14 0.61 0.52 0.00 -1.14 0.00 0.00 176.83 176.68 821p h ALA 18 N 0.72 1.54 -0.38 3.77 0.00 -1.87 0.11 119.26 123.15 821p h ALA 18 Ca 0.04 -0.04 -0.05 0.00 0.00 0.00 0.00 54.91 54.86 821p h ALA 18 Cb 0.47 -0.27 -0.01 0.00 0.00 0.00 0.00 17.79 17.98 821p h ALA 18 CO 0.02 0.38 0.03 -0.07 0.00 0.00 0.00 179.25 179.60 821p h LEU 19 N 0.95 0.63 -0.57 0.00 3.38 -1.00 -1.81 115.31 116.88 821p h LEU 19 Ca 0.31 -0.29 -0.07 0.00 0.09 0.00 0.00 57.88 57.93 821p h LEU 19 Cb 0.06 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.62 821p h LEU 19 CO -0.09 0.76 0.09 0.74 0.09 0.00 0.00 178.44 180.03 821p h THR 20 N 0.47 1.26 -0.23 0.22 2.02 -0.70 -1.90 112.91 114.05 821p h THR 20 Ca 0.11 -0.98 -0.15 0.00 0.77 0.00 0.00 66.41 66.16 821p h THR 20 Cb 0.42 0.78 -0.01 0.00 -1.74 0.00 0.00 68.15 67.60 821p h THR 20 CO 0.01 0.36 -0.47 0.40 0.37 0.00 0.00 175.52 176.19 821p h ILE 21 N 0.85 1.31 -0.10 3.11 2.04 -0.79 -1.10 117.51 122.82 821p h ILE 21 Ca 0.17 -1.68 0.03 0.00 1.00 0.00 0.00 64.86 64.39 821p h ILE 21 Cb 0.41 1.64 -0.04 0.00 -0.74 0.00 0.00 36.82 38.09 821p h ILE 21 CO 0.01 0.53 -0.11 1.56 0.00 0.00 0.00 178.15 180.14 821p h GLN 22 N 0.49 -0.14 0.02 2.37 1.08 -1.08 0.57 115.11 118.42 821p h GLN 22 Ca 0.03 0.01 0.02 0.00 -1.45 0.00 0.00 58.65 57.25 821p h GLN 22 Cb 1.01 0.03 -0.02 0.00 -0.05 0.00 0.00 27.48 28.45 821p h GLN 22 CO 0.09 -0.09 -0.11 1.25 -0.95 0.00 0.00 178.83 179.02 821p h LEU 23 N -0.14 -0.32 0.21 1.46 5.85 -0.96 -1.27 115.31 120.13 821p h LEU 23 Ca 0.08 0.05 -0.33 0.00 0.84 0.00 0.00 57.88 58.51 821p h LEU 23 Cb 0.25 0.13 0.02 0.00 0.37 0.00 0.00 40.66 41.44 821p h LEU 23 CO -0.19 -0.16 -1.55 0.40 -0.34 0.00 0.00 178.44 176.60 821p h ILE 24 N -0.20 1.18 -0.02 4.05 1.08 -1.06 -3.40 117.51 119.14 821p h ILE 24 Ca 0.04 -2.69 0.00 0.00 -0.39 0.00 0.00 64.86 61.81 821p h ILE 24 Cb 0.24 2.92 0.00 0.00 -3.07 0.00 0.00 36.82 36.92 821p h ILE 24 CO -0.10 0.83 0.00 0.00 -0.69 0.00 0.00 178.15 178.20 821p n GLN 25 N -3.63 0.23 -3.76 2.37 6.02 0.20 -5.04 117.38 113.76 821p n GLN 25 Ca -0.18 -0.89 -0.24 0.00 -0.01 0.00 0.00 57.00 55.68 821p n GLN 25 Cb 1.08 -1.05 0.03 0.00 1.02 0.00 0.00 30.24 31.32 821p n GLN 25 CO 0.00 0.00 0.00 -1.71 -1.01 0.00 0.00 177.06 174.34 821p n ASN 26 N 0.05 -2.45 -3.67 1.08 5.15 -0.48 -4.96 115.26 109.98 821p n ASN 26 Ca 0.02 -0.80 -0.14 0.00 -0.60 0.00 0.00 54.58 53.06 821p n ASN 26 Cb 0.12 -4.05 -0.07 0.00 -0.53 0.00 0.00 39.78 35.25 821p n ASN 26 CO 0.00 0.00 0.00 -1.38 1.40 0.00 0.00 177.26 177.28 821p s HIS 27 N -3.54 -0.32 -0.22 1.20 -3.43 -1.26 -5.00 115.29 102.71 821p s HIS 27 Ca 0.22 0.43 -0.22 0.00 -0.80 0.00 0.00 55.06 54.69 821p s HIS 27 Cb -0.11 0.22 -0.02 0.00 -1.43 0.00 0.00 32.58 31.24 821p s HIS 27 CO 0.81 -0.52 0.71 0.12 -2.00 0.00 0.00 174.74 173.87 821p s PHE 28 N -1.81 3.33 -0.38 0.38 5.36 -1.26 -3.67 117.98 119.93 821p s PHE 28 Ca -0.09 1.00 -0.23 0.00 -0.96 0.00 0.00 56.93 56.64 821p s PHE 28 Cb -0.02 -2.91 0.01 0.00 -0.34 0.00 0.00 43.02 39.76 821p s PHE 28 CO 0.02 -0.30 0.79 0.14 -1.46 0.00 0.00 175.22 174.42 821p s VAL 29 N 2.40 4.71 -0.87 3.12 -7.23 -1.26 -4.93 120.40 116.34 821p s VAL 29 Ca 0.31 0.80 0.01 0.00 -1.81 0.00 0.00 61.98 61.29 821p s VAL 29 Cb -0.16 -4.24 0.32 0.00 0.56 0.00 0.00 36.38 32.87 821p s VAL 29 CO 0.09 -0.50 1.47 -0.67 -0.31 0.00 0.00 175.10 175.19 821p n ASP 30 N 6.50 6.22 -3.46 4.85 2.03 -1.26 -4.89 116.55 126.55 821p n ASP 30 Ca 0.03 -3.66 -0.14 0.00 0.52 0.00 0.00 54.79 51.54 821p n ASP 30 Cb 0.48 -0.96 -0.03 0.00 -0.72 0.00 0.00 41.12 39.89 821p n ASP 30 CO 0.00 0.00 0.00 -1.83 -1.92 0.00 0.00 177.20 173.45 821p s GLU 31 N -3.88 1.20 -0.40 -0.67 -1.05 -1.26 -5.12 118.70 107.52 821p s GLU 31 Ca 0.42 -0.22 -0.29 0.00 -0.15 0.00 0.00 54.97 54.73 821p s GLU 31 Cb 0.21 0.56 0.02 0.00 -0.44 0.00 0.00 34.13 34.48 821p s GLU 31 CO -0.11 -0.48 1.18 -0.47 0.95 0.00 0.00 175.26 176.33 821p s TYR 32 N -2.86 2.83 -0.46 4.83 6.14 -1.26 -4.96 117.35 121.60 821p s TYR 32 Ca -0.03 0.86 0.06 0.00 0.64 0.00 0.00 57.07 58.60 821p s TYR 32 Cb -0.01 -4.14 0.18 0.00 0.42 0.00 0.00 41.96 38.41 821p s TYR 32 CO -0.05 -1.30 0.57 0.34 0.64 0.00 0.00 175.55 175.75 821p s ASP 33 N 2.50 -0.41 0.46 4.32 2.15 -1.26 -5.14 116.67 119.29 821p s ASP 33 Ca 0.50 -1.93 -0.25 0.00 0.43 0.00 0.00 52.55 51.30 821p s ASP 33 Cb -0.11 1.16 -0.08 0.00 -0.30 0.00 0.00 42.92 43.59 821p s ASP 33 CO 0.26 -0.12 1.44 -2.84 -0.17 0.00 0.00 175.17 173.74 821p s PRO 34 N 0.87 3.65 0.12 4.34 0.02 -1.26 -4.98 135.00 137.75 821p s PRO 34 Ca 0.27 2.44 -0.12 0.00 0.02 0.00 0.00 61.00 63.61 821p s PRO 34 Cb -0.02 -2.64 -0.06 0.00 0.02 0.00 0.00 34.50 31.80 821p s PRO 34 CO -0.08 -0.85 0.47 0.99 -0.33 0.00 0.00 177.00 177.19 821p s THR 35 N -1.20 4.99 -0.14 0.99 2.01 -1.26 -4.97 115.64 116.06 821p s THR 35 Ca 0.61 0.60 -0.13 0.00 0.31 0.00 0.00 61.69 63.09 821p s THR 35 Cb -0.44 -3.68 -0.04 0.00 0.01 0.00 0.00 72.50 68.34 821p s THR 35 CO 0.57 0.24 -0.25 -0.38 -0.69 0.00 0.00 174.62 174.11 821p n ILE 36 N 0.79 1.16 -3.64 1.82 -0.00 -1.26 -4.28 119.36 113.95 821p n ILE 36 Ca -0.06 0.23 -0.06 0.00 -0.00 0.00 0.00 62.75 62.86 821p n ILE 36 Cb 0.52 -2.17 -0.07 0.00 -0.00 0.00 0.00 39.64 37.92 821p n ILE 36 CO 0.00 0.00 0.00 -0.70 -0.00 0.00 0.00 176.55 175.85 821p s GLU 37 N -2.41 0.56 0.01 0.38 2.12 -1.26 -3.25 118.70 114.85 821p s GLU 37 Ca -0.21 0.90 -0.00 0.00 0.36 0.00 0.00 54.97 56.02 821p s GLU 37 Cb 0.03 0.15 -0.01 0.00 0.26 0.00 0.00 34.13 34.55 821p s GLU 37 CO 0.31 -0.11 -0.02 -0.51 -0.54 0.00 0.00 175.26 174.40 821p s ASP 38 N 1.25 0.15 0.09 -1.70 1.01 -0.78 -5.02 116.67 111.67 821p s ASP 38 Ca -0.07 -0.31 0.08 0.00 0.71 0.00 0.00 52.55 52.96 821p s ASP 38 Cb -0.04 0.06 -0.03 0.00 1.01 0.00 0.00 42.92 43.92 821p s ASP 38 CO -0.15 -0.19 -0.21 -0.94 0.21 0.00 0.00 175.17 173.90 821p s SER 39 N -0.90 2.52 -0.02 0.27 1.04 -1.26 -0.70 113.70 114.65 821p s SER 39 Ca -0.10 -0.64 0.01 0.00 0.48 0.00 0.00 55.95 55.70 821p s SER 39 Cb -0.06 -0.16 0.02 0.00 0.10 0.00 0.00 66.02 65.92 821p s SER 39 CO -0.01 0.09 -0.01 -0.31 0.98 0.00 0.00 173.24 173.98 821p s TYR 40 N -1.06 0.34 -0.08 5.02 1.51 -0.46 -4.98 117.35 117.65 821p s TYR 40 Ca 0.07 -0.03 0.04 0.00 -1.01 0.00 0.00 57.07 56.14 821p s TYR 40 Cb -0.10 -0.37 -0.00 0.00 -0.11 0.00 0.00 41.96 41.38 821p s TYR 40 CO 0.04 -0.10 -0.22 1.03 -1.11 0.00 0.00 175.55 175.18 821p s ARG 41 N 0.72 2.65 -0.11 -0.62 0.52 -1.26 0.09 118.95 120.94 821p s ARG 41 Ca -0.07 -0.80 -0.09 0.00 -0.52 0.00 0.00 55.73 54.25 821p s ARG 41 Cb -0.11 -2.09 0.04 0.00 0.52 0.00 0.00 34.95 33.31 821p s ARG 41 CO -0.01 0.21 0.29 0.21 0.02 0.00 0.00 175.30 176.02 821p s LYS 42 N 0.24 0.31 -0.05 3.54 2.47 -0.50 -4.99 119.74 120.76 821p s LYS 42 Ca -0.14 0.48 -0.26 0.00 -1.56 0.00 0.00 55.97 54.49 821p s LYS 42 Cb -0.16 0.07 -0.03 0.00 -1.46 0.00 0.00 37.83 36.25 821p s LYS 42 CO 0.07 -0.08 0.83 -0.65 0.16 0.00 0.00 175.35 175.67 821p s GLN 43 N 0.57 4.47 0.18 4.03 -0.21 -1.26 -1.32 119.66 126.12 821p s GLN 43 Ca -0.03 1.12 -0.01 0.00 0.02 0.00 0.00 55.36 56.45 821p s GLN 43 Cb -0.05 -3.47 -0.04 0.00 1.00 0.00 0.00 33.01 30.45 821p s GLN 43 CO -0.03 -0.03 0.10 0.14 -2.12 0.00 0.00 175.29 173.35 821p s VAL 44 N 1.05 0.07 -0.18 1.09 -7.23 0.61 -4.99 120.40 110.82 821p s VAL 44 Ca 0.43 -1.97 -0.01 0.00 -1.81 0.00 0.00 61.98 58.63 821p s VAL 44 Cb -0.19 -2.33 0.00 0.00 0.56 0.00 0.00 36.38 34.42 821p s VAL 44 CO 0.21 -0.18 -0.14 -0.69 -0.31 0.00 0.00 175.10 174.00 821p s VAL 45 N -4.10 2.65 -0.15 1.32 1.01 -1.26 -0.67 120.40 119.20 821p s VAL 45 Ca 0.33 -0.75 0.00 0.00 0.00 0.00 0.00 61.98 61.56 821p s VAL 45 Cb 0.07 -2.15 0.02 0.00 0.00 0.00 0.00 36.38 34.33 821p s VAL 45 CO 0.08 0.50 -0.15 -0.63 0.00 0.00 0.00 175.10 174.91 821p s ILE 46 N 1.16 1.62 -1.51 2.22 1.01 -0.18 -4.73 121.20 120.79 821p s ILE 46 Ca 0.01 -0.67 -0.09 0.00 0.00 0.00 0.00 60.65 59.90 821p s ILE 46 Cb -0.14 -1.52 0.07 0.00 0.01 0.00 0.00 42.46 40.88 821p s ILE 46 CO -0.05 0.46 0.74 0.47 0.00 0.00 0.00 174.94 176.55 821p n ASP 47 N 4.76 -2.65 0.00 3.58 8.00 -1.26 -1.45 116.55 127.53 821p n ASP 47 Ca -0.17 -0.91 0.00 0.00 0.71 0.00 0.00 54.79 54.42 821p n ASP 47 Cb 0.50 -3.40 0.00 0.00 -0.02 0.00 0.00 41.12 38.20 821p n ASP 47 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 821p n GLY 48 N -1.68 2.68 3.72 0.44 0.00 -1.26 -5.00 105.19 104.09 821p n GLY 48 Ca -0.10 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.55 821p n GLY 48 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 821p s GLU 49 N -0.13 4.30 -0.12 1.61 2.12 -0.53 -5.04 118.70 120.92 821p s GLU 49 Ca 0.00 0.28 -0.30 0.00 0.36 0.00 0.00 54.97 55.31 821p s GLU 49 Cb 0.00 -3.43 -0.02 0.00 0.26 0.00 0.00 34.13 30.94 821p s GLU 49 CO 0.00 0.20 1.22 0.99 -0.54 0.00 0.00 175.26 177.12 821p s THR 50 N 0.55 4.31 0.22 -1.70 2.01 -1.26 -1.01 115.64 118.76 821p s THR 50 Ca 0.21 1.60 -0.12 0.00 0.31 0.00 0.00 61.69 63.70 821p s THR 50 Cb -0.14 -4.03 -0.00 0.00 0.01 0.00 0.00 72.50 68.33 821p s THR 50 CO 0.07 -0.08 0.42 0.00 -0.69 0.00 0.00 174.62 174.35 821p s LEU 52 N -3.01 2.49 -0.30 0.00 0.20 -0.22 -0.29 118.68 117.54 821p s LEU 52 Ca 0.21 -0.43 -0.19 0.00 0.69 0.00 0.00 54.13 54.42 821p s LEU 52 Cb 0.01 -1.54 -0.01 0.00 -0.43 0.00 0.00 46.19 44.21 821p s LEU 52 CO 0.06 0.14 0.56 -0.76 -0.29 0.00 0.00 176.35 176.07 821p s LEU 53 N 0.46 4.16 -0.38 -0.68 1.02 -0.44 -0.90 118.68 121.92 821p s LEU 53 Ca -0.12 0.34 -0.07 0.00 0.02 0.00 0.00 54.13 54.31 821p s LEU 53 Cb -0.16 -2.71 0.07 0.00 0.02 0.00 0.00 46.19 43.41 821p s LEU 53 CO 0.05 -0.42 0.19 -0.62 0.02 0.00 0.00 176.35 175.57 821p s ASP 54 N 1.64 5.44 -0.18 2.29 -1.08 -0.02 -1.41 116.67 123.35 821p s ASP 54 Ca 0.22 -1.44 -0.04 0.00 -0.52 0.00 0.00 52.55 50.77 821p s ASP 54 Cb -0.15 -1.91 -0.02 0.00 -1.46 0.00 0.00 42.92 39.38 821p s ASP 54 CO 0.11 -0.45 -0.04 -0.63 0.52 0.00 0.00 175.17 174.68 821p s ILE 55 N 1.37 3.64 -0.23 4.11 1.01 0.11 -0.92 121.20 130.30 821p s ILE 55 Ca 0.02 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 60.16 821p s ILE 55 Cb -0.22 -2.62 -0.04 0.00 0.01 0.00 0.00 42.46 39.59 821p s ILE 55 CO 0.01 0.46 0.10 -0.22 0.00 0.00 0.00 174.94 175.29 821p s LEU 56 N 0.87 3.81 -0.28 2.97 2.96 -0.05 -1.35 118.68 127.62 821p s LEU 56 Ca -0.01 0.00 -0.11 0.00 -0.22 0.00 0.00 54.13 53.79 821p s LEU 56 Cb -0.15 -2.01 -0.05 0.00 0.50 0.00 0.00 46.19 44.49 821p s LEU 56 CO 0.01 0.06 0.19 -0.62 -1.32 0.00 0.00 176.35 174.68 821p s ASP 57 N 1.04 6.01 0.34 3.68 2.15 0.13 -1.20 116.67 128.82 821p s ASP 57 Ca 0.05 -0.03 0.07 0.00 0.43 0.00 0.00 52.55 53.08 821p s ASP 57 Cb -0.14 -2.12 -0.02 0.00 -0.30 0.00 0.00 42.92 40.34 821p s ASP 57 CO 0.04 -0.06 0.35 0.42 -0.17 0.00 0.00 175.17 175.75 821p s THR 58 N 1.76 3.71 0.24 1.71 -4.23 -1.18 -1.86 115.64 115.78 821p s THR 58 Ca 0.07 -1.24 -0.30 0.00 -1.18 0.00 0.00 61.69 59.04 821p s THR 58 Cb -0.16 -3.26 -0.09 0.00 1.34 0.00 0.00 72.50 70.33 821p s THR 58 CO 0.11 -0.17 0.93 0.00 -0.54 0.00 0.00 174.62 174.96 821p s ALA 59 N -2.26 3.34 -0.62 3.99 0.00 -1.20 -4.85 121.76 120.16 821p s ALA 59 Ca 0.42 0.61 0.25 0.00 0.00 0.00 0.00 51.96 53.25 821p s ALA 59 Cb -0.07 -3.20 0.88 0.00 0.00 0.00 0.00 23.12 20.73 821p s ALA 59 CO 0.28 0.21 1.75 0.41 0.00 0.00 0.00 175.76 178.42 821p n GLY 60 N 1.50 -1.55 2.86 0.00 0.00 -1.26 -4.91 105.19 101.82 821p n GLY 60 Ca -0.02 0.02 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 821p n GLY 60 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 821p n GLN 61 N -2.28 -1.91 0.06 1.61 1.13 -1.26 -4.37 117.38 110.36 821p n GLN 61 Ca 0.04 -1.47 -0.03 0.00 -1.94 0.00 0.00 57.00 53.60 821p n GLN 61 Cb 0.36 -1.18 -0.01 0.00 0.11 0.00 0.00 30.24 29.51 821p n GLN 61 CO 0.00 0.00 0.00 1.05 -1.44 0.00 0.00 177.06 176.67 821p h GLU 62 N 0.00 -0.16 -0.95 -1.09 9.09 -2.04 -3.33 114.58 116.10 821p h GLU 62 Ca -0.33 0.01 0.34 0.00 0.05 0.00 0.00 59.36 59.44 821p h GLU 62 Cb 0.95 0.04 -0.11 0.00 -1.65 0.00 0.00 28.75 27.98 821p h GLU 62 CO 0.22 -0.11 0.59 -1.91 0.05 0.00 0.00 179.01 177.86 821p n GLU 63 N -2.54 -0.03 0.22 1.06 4.07 -1.26 -2.92 120.64 119.24 821p n GLU 63 Ca -0.02 0.95 -0.12 0.00 -0.06 0.00 0.00 57.16 57.91 821p n GLU 63 Cb 0.07 -1.82 -0.06 0.00 -0.06 0.00 0.00 31.44 29.56 821p n GLU 63 CO 0.00 0.00 0.00 1.88 -0.06 0.00 0.00 177.13 178.95 821p h TYR 64 N 0.00 -0.88 0.00 4.31 0.05 -1.97 -3.39 116.97 115.09 821p h TYR 64 Ca 0.64 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.42 821p h TYR 64 Cb 1.99 0.33 0.00 0.00 1.01 0.00 0.00 36.73 40.06 821p h TYR 64 CO -0.01 -0.45 0.00 0.43 -1.05 0.00 0.00 178.16 177.09 821p n SER 65 N -4.34 0.00 -0.06 3.88 7.64 -1.15 0.23 113.62 119.83 821p n SER 65 Ca -0.08 0.00 -0.07 0.00 1.01 0.00 0.00 58.87 59.73 821p n SER 65 Cb 0.31 0.00 -0.15 0.00 -1.01 0.00 0.00 64.21 63.36 821p n SER 65 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 821p n ALA 66 N 0.80 1.64 0.33 -0.43 0.00 -1.26 -3.50 120.51 118.09 821p n ALA 66 Ca 0.00 -1.06 0.21 0.00 0.00 0.00 0.00 53.44 52.59 821p n ALA 66 Cb 0.00 -0.46 1.12 0.00 0.00 0.00 0.00 19.45 20.11 821p n ALA 66 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.50 179.48 821p h MET 67 N 0.00 0.00 -0.21 0.00 -1.53 0.27 -0.56 114.93 112.90 821p h MET 67 Ca -0.41 0.00 -0.17 0.00 -3.44 0.00 0.00 59.70 55.69 821p h MET 67 Cb 2.03 0.00 0.00 0.00 -0.55 0.00 0.00 31.60 33.09 821p h MET 67 CO 0.04 0.01 -0.52 0.00 0.14 0.00 0.00 176.91 176.58 821p h ARG 68 N 0.00 0.72 -0.97 0.39 3.08 -1.55 -3.23 114.38 112.81 821p h ARG 68 Ca -0.00 -0.50 0.22 0.00 0.07 0.00 0.00 59.98 59.77 821p h ARG 68 Cb 0.06 0.07 -0.08 0.00 0.08 0.00 0.00 29.97 30.10 821p h ARG 68 CO 0.00 1.12 0.62 -0.44 -1.07 0.00 0.00 179.97 180.20 821p h ASP 69 N 0.44 0.52 0.19 7.04 5.19 -1.21 -0.76 116.42 127.83 821p h ASP 69 Ca -0.01 0.07 -0.01 0.00 -0.62 0.00 0.00 57.03 56.46 821p h ASP 69 Cb 1.13 -0.02 0.00 0.00 0.18 0.00 0.00 39.33 40.62 821p h ASP 69 CO 0.11 0.18 -0.09 -0.61 -3.12 0.00 0.00 179.24 175.71 821p h GLN 70 N 0.50 -0.24 0.00 3.56 4.15 -1.55 -0.69 115.11 120.84 821p h GLN 70 Ca 0.54 0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.96 821p h GLN 70 Cb 1.19 0.05 -0.00 0.00 0.21 0.00 0.00 27.48 28.94 821p h GLN 70 CO -0.26 -0.02 -0.05 0.10 -1.93 0.00 0.00 178.83 176.66 821p h TYR 71 N -0.43 0.00 0.00 3.99 -0.00 -1.43 -2.85 116.97 116.26 821p h TYR 71 Ca -0.03 0.00 -0.11 0.00 0.00 0.00 0.00 58.73 58.60 821p h TYR 71 Cb 0.33 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.04 821p h TYR 71 CO -0.01 0.05 -0.51 0.52 -0.00 0.00 0.00 178.16 178.21 821p h MET 72 N 0.00 0.00 -0.41 0.10 2.86 -0.97 -2.51 114.93 114.00 821p h MET 72 Ca -0.00 0.00 -0.14 0.00 -2.06 0.00 0.00 59.70 57.50 821p h MET 72 Cb 0.98 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 32.63 821p h MET 72 CO 0.01 0.51 -0.30 -0.09 1.06 0.00 0.00 176.91 178.09 821p h ARG 73 N 0.00 0.91 0.00 1.72 2.43 -0.88 -3.25 114.38 115.30 821p h ARG 73 Ca -0.01 -0.42 0.00 0.00 -0.81 0.00 0.00 59.98 58.74 821p h ARG 73 Cb 0.99 -0.01 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 821p h ARG 73 CO 0.07 1.08 -0.82 0.25 -1.51 0.00 0.00 179.97 179.03 821p n THR 74 N -4.08 0.08 -2.36 0.20 -2.24 -1.21 -4.93 114.28 99.73 821p n THR 74 Ca -0.01 -0.11 -0.41 0.00 -2.27 0.00 0.00 64.05 61.26 821p n THR 74 Cb 0.49 0.39 -0.04 0.00 -2.10 0.00 0.00 70.33 69.07 821p n THR 74 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 821p s GLY 75 N -3.28 2.98 -0.07 3.38 0.00 -0.95 -4.91 107.32 104.47 821p s GLY 75 Ca 0.07 1.00 0.06 0.00 0.00 0.00 0.00 44.72 45.86 821p s GLY 75 CO 0.78 1.67 0.56 1.18 0.00 0.00 0.00 173.10 177.29 821p n GLU 76 N 1.31 0.68 -3.98 2.90 1.02 0.42 -4.97 120.64 118.02 821p n GLU 76 Ca 0.00 0.28 -0.09 0.00 -0.02 0.00 0.00 57.16 57.33 821p n GLU 76 Cb 0.44 -1.76 -0.11 0.00 -0.02 0.00 0.00 31.44 29.99 821p n GLU 76 CO 0.00 0.00 0.00 0.20 1.18 0.00 0.00 177.13 178.51 821p s GLY 77 N -5.28 0.24 -0.04 0.62 0.00 -1.11 -4.19 107.32 97.56 821p s GLY 77 Ca -0.11 -0.59 0.04 0.00 0.00 0.00 0.00 44.72 44.05 821p s GLY 77 CO 0.81 -0.67 -0.14 -1.36 0.00 0.00 0.00 173.10 171.73 821p s PHE 78 N -1.64 1.41 -0.29 1.90 0.40 -0.75 -0.84 117.98 118.16 821p s PHE 78 Ca -0.14 -0.38 -0.12 0.00 -0.60 0.00 0.00 56.93 55.69 821p s PHE 78 Cb -0.08 -0.96 -0.04 0.00 0.51 0.00 0.00 43.02 42.44 821p s PHE 78 CO -0.01 -0.13 0.24 -0.51 0.70 0.00 0.00 175.22 175.50 821p s LEU 79 N 0.08 4.15 -0.46 -0.37 1.43 0.04 -1.96 118.68 121.58 821p s LEU 79 Ca -0.03 -0.06 -0.13 0.00 -1.03 0.00 0.00 54.13 52.87 821p s LEU 79 Cb -0.10 -2.18 0.08 0.00 0.03 0.00 0.00 46.19 44.02 821p s LEU 79 CO 0.01 -0.12 0.36 0.00 0.23 0.00 0.00 176.35 176.83 821p s VAL 81 N 1.55 5.34 0.34 0.00 1.01 -0.27 -0.98 120.40 127.40 821p s VAL 81 Ca 0.04 0.16 0.03 0.00 0.00 0.00 0.00 61.98 62.21 821p s VAL 81 Cb -0.25 -3.40 -0.04 0.00 0.00 0.00 0.00 36.38 32.69 821p s VAL 81 CO 0.04 0.49 0.11 0.72 0.00 0.00 0.00 175.10 176.47 821p s PHE 82 N -0.02 1.76 -0.06 5.22 -0.71 -0.44 -4.07 117.98 119.65 821p s PHE 82 Ca 0.09 -1.21 0.03 0.00 -1.04 0.00 0.00 56.93 54.81 821p s PHE 82 Cb -0.11 -1.09 -0.02 0.00 -1.21 0.00 0.00 43.02 40.59 821p s PHE 82 CO -0.00 -0.28 -0.16 0.00 -1.34 0.00 0.00 175.22 173.44 821p s ALA 83 N -3.39 2.57 -1.01 1.99 0.00 -1.26 -0.41 121.76 120.26 821p s ALA 83 Ca 0.32 -0.98 0.14 0.00 0.00 0.00 0.00 51.96 51.44 821p s ALA 83 Cb 0.05 -0.96 0.62 0.00 0.00 0.00 0.00 23.12 22.83 821p s ALA 83 CO 0.15 0.48 1.46 0.44 0.00 0.00 0.00 175.76 178.29 821p n ILE 84 N 2.61 1.00 -0.66 0.00 -6.64 0.19 -1.34 119.36 114.54 821p n ILE 84 Ca -0.17 0.25 0.08 0.00 -1.77 0.00 0.00 62.75 61.14 821p n ILE 84 Cb 0.52 -1.00 0.28 0.00 -1.44 0.00 0.00 39.64 38.00 821p n ILE 84 CO 0.00 0.00 0.00 -0.46 -1.77 0.00 0.00 176.55 174.32 821p n ASN 85 N -1.50 4.08 -3.57 7.28 6.94 -1.26 -1.01 115.26 126.21 821p n ASN 85 Ca 0.04 -2.56 -0.29 0.00 -0.02 0.00 0.00 54.58 51.74 821p n ASN 85 Cb 0.17 -0.49 -0.14 0.00 -2.36 0.00 0.00 39.78 36.96 821p n ASN 85 CO 0.00 0.00 0.00 0.21 -1.03 0.00 0.00 177.26 176.44 821p s ASN 86 N -1.27 3.45 0.24 0.53 3.04 -0.45 -4.69 114.94 115.80 821p s ASN 86 Ca 0.41 -1.84 -0.07 0.00 0.04 0.00 0.00 52.86 51.41 821p s ASN 86 Cb 0.29 -0.55 0.23 0.00 -1.54 0.00 0.00 41.25 39.67 821p s ASN 86 CO 0.16 -0.37 1.89 0.74 -3.04 0.00 0.00 177.10 176.48 821p h THR 87 N 5.80 1.26 -0.94 -5.21 2.02 -1.88 -2.15 112.91 111.81 821p h THR 87 Ca -0.07 -0.56 0.05 0.00 0.77 0.00 0.00 66.41 66.59 821p h THR 87 Cb 0.99 -0.08 -0.06 0.00 -1.74 0.00 0.00 68.15 67.26 821p h THR 87 CO 0.39 0.27 0.61 0.50 0.37 0.00 0.00 175.52 177.66 821p h LYS 88 N 1.30 1.10 -0.56 6.66 3.64 -1.95 0.34 116.57 127.10 821p h LYS 88 Ca 0.34 -0.07 -0.07 0.00 -1.27 0.00 0.00 60.65 59.58 821p h LYS 88 Cb -0.06 -0.25 -0.02 0.00 -0.41 0.00 0.00 32.23 31.49 821p h LYS 88 CO -0.06 0.73 0.06 0.66 -2.27 0.00 0.00 179.45 178.56 821p h SER 89 N 1.13 0.88 -0.58 4.20 4.64 -1.74 0.40 113.55 122.48 821p h SER 89 Ca 0.39 -0.20 -0.06 0.00 -0.47 0.00 0.00 61.79 61.44 821p h SER 89 Cb 0.10 -0.23 -0.02 0.00 -0.31 0.00 0.00 62.40 61.93 821p h SER 89 CO -0.13 0.90 0.13 0.15 -0.87 0.00 0.00 176.83 177.01 821p h PHE 90 N 0.86 0.98 -0.42 4.77 3.57 -0.98 -2.80 116.94 122.92 821p h PHE 90 Ca 0.17 -0.12 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 821p h PHE 90 Cb 0.43 -0.27 -0.02 0.00 2.79 0.00 0.00 35.95 38.88 821p h PHE 90 CO 0.03 0.84 -0.10 0.93 -2.23 0.00 0.00 178.31 177.78 821p h GLU 91 N 0.84 0.75 0.00 1.11 5.08 0.23 -2.44 114.58 120.14 821p h GLU 91 Ca 0.18 -0.24 -0.00 0.00 -1.00 0.00 0.00 59.36 58.30 821p h GLU 91 Cb 0.36 -0.07 -0.00 0.00 0.50 0.00 0.00 28.75 29.55 821p h GLU 91 CO 0.00 0.83 -0.00 -0.44 -1.00 0.00 0.00 179.01 178.40 821p h ASP 92 N 0.68 0.00 -0.99 1.42 3.32 -0.00 -3.04 116.42 117.81 821p h ASP 92 Ca 0.12 0.00 0.15 0.00 0.02 0.00 0.00 57.03 57.31 821p h ASP 92 Cb 0.57 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.03 821p h ASP 92 CO 0.04 0.00 0.62 0.40 -1.72 0.00 0.00 179.24 178.58 821p h ILE 93 N 0.00 0.84 -0.94 0.35 1.08 -1.23 -1.86 117.51 115.75 821p h ILE 93 Ca -0.00 -0.30 0.02 0.00 -0.39 0.00 0.00 64.86 64.18 821p h ILE 93 Cb 0.08 -0.12 -0.05 0.00 -3.07 0.00 0.00 36.82 33.66 821p h ILE 93 CO 0.00 0.16 0.62 -0.74 -0.69 0.00 0.00 178.15 177.50 821p h HIS 94 N 0.88 1.17 -0.59 1.37 2.76 -1.74 -1.39 115.15 117.61 821p h HIS 94 Ca 0.52 0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.62 821p h HIS 94 Cb 0.65 -0.39 -0.02 0.00 1.55 0.00 0.00 27.41 29.20 821p h HIS 94 CO -0.00 0.72 0.00 -0.56 -1.30 0.00 0.00 177.93 176.79 821p h GLN 95 N 1.24 1.03 -0.39 5.26 -0.00 -1.54 -1.52 115.11 119.19 821p h GLN 95 Ca 0.35 -0.32 -0.02 0.00 -0.00 0.00 0.00 58.65 58.67 821p h GLN 95 Cb -0.10 -0.10 -0.02 0.00 -0.00 0.00 0.00 27.48 27.26 821p h GLN 95 CO -0.09 1.01 0.19 1.88 -0.00 0.00 0.00 178.83 181.82 821p h TYR 96 N 0.94 0.57 -0.60 0.06 0.05 -1.26 -1.72 116.97 115.01 821p h TYR 96 Ca 0.17 -0.03 -0.04 0.00 0.05 0.00 0.00 58.73 58.88 821p h TYR 96 Cb 0.54 -0.18 -0.03 0.00 1.01 0.00 0.00 36.73 38.08 821p h TYR 96 CO 0.04 0.48 0.23 -0.09 -1.05 0.00 0.00 178.16 177.76 821p h ARG 97 N 0.49 0.91 -0.64 4.88 2.43 -1.09 -0.10 114.38 121.27 821p h ARG 97 Ca 0.13 -0.17 0.00 0.00 -0.81 0.00 0.00 59.98 59.13 821p h ARG 97 Cb 0.12 -0.14 -0.03 0.00 -0.42 0.00 0.00 29.97 29.50 821p h ARG 97 CO -0.02 0.79 0.41 0.93 -1.51 0.00 0.00 179.97 180.57 821p h GLU 98 N 0.85 0.85 -0.29 0.20 4.39 -1.18 -0.81 114.58 118.58 821p h GLU 98 Ca 0.20 -0.06 -0.16 0.00 0.34 0.00 0.00 59.36 59.68 821p h GLU 98 Cb 0.22 -0.19 -0.00 0.00 -0.10 0.00 0.00 28.75 28.69 821p h GLU 98 CO -0.01 0.57 -0.46 0.37 -1.16 0.00 0.00 179.01 178.32 821p h GLN 99 N 0.87 0.83 -0.58 2.33 4.15 -0.80 -1.60 115.11 120.30 821p h GLN 99 Ca 0.23 -0.50 -0.00 0.00 0.77 0.00 0.00 58.65 59.15 821p h GLN 99 Cb -0.08 0.05 -0.03 0.00 0.21 0.00 0.00 27.48 27.63 821p h GLN 99 CO -0.05 1.13 0.36 0.82 -1.93 0.00 0.00 178.83 179.17 821p h ILE 100 N 0.60 1.17 -0.83 2.39 2.04 -0.54 -2.54 117.51 119.80 821p h ILE 100 Ca 0.02 -0.35 -0.03 0.00 1.00 0.00 0.00 64.86 65.50 821p h ILE 100 Cb 1.06 0.35 -0.04 0.00 -0.74 0.00 0.00 36.82 37.46 821p h ILE 100 CO 0.11 0.17 0.42 0.11 0.00 0.00 0.00 178.15 178.95 821p h LYS 101 N 0.79 1.18 -0.28 2.37 1.57 -1.02 -1.24 116.57 119.94 821p h LYS 101 Ca 0.21 -0.16 -0.05 0.00 -1.87 0.00 0.00 60.65 58.77 821p h LYS 101 Cb -0.04 -0.22 -0.01 0.00 0.08 0.00 0.00 32.23 32.04 821p h LYS 101 CO -0.04 0.90 -0.04 0.00 -0.57 0.00 0.00 179.45 179.70 821p h ARG 102 N 1.17 0.51 -0.19 3.15 3.08 -1.10 -0.18 114.38 120.82 821p h ARG 102 Ca 0.29 -0.18 -0.13 0.00 0.07 0.00 0.00 59.98 60.03 821p h ARG 102 Cb 0.09 -0.04 -0.01 0.00 0.08 0.00 0.00 29.97 30.09 821p h ARG 102 CO -0.04 0.70 -0.42 -0.39 -1.07 0.00 0.00 179.97 178.75 821p h VAL 103 N 0.28 1.31 -0.02 2.04 -1.51 -1.34 -2.90 116.25 114.11 821p h VAL 103 Ca 0.07 -1.58 0.00 0.00 -1.23 0.00 0.00 66.70 63.96 821p h VAL 103 Cb 0.49 1.62 0.00 0.00 -2.13 0.00 0.00 31.29 31.27 821p h VAL 103 CO 0.02 0.49 0.00 0.29 -1.23 0.00 0.00 177.57 177.14 821p n LYS 104 N -4.02 1.50 -4.19 5.19 5.02 -0.48 -4.88 118.16 116.30 821p n LYS 104 Ca -0.02 -0.73 -0.32 0.00 -2.02 0.00 0.00 58.31 55.22 821p n LYS 104 Cb 0.51 -1.48 -0.05 0.00 -0.02 0.00 0.00 35.03 34.00 821p n LYS 104 CO 0.00 0.00 0.00 -0.25 -0.52 0.00 0.00 177.40 176.63 821p n ASP 105 N -0.11 -1.16 -3.78 4.39 8.00 -0.13 -4.93 116.55 118.84 821p n ASP 105 Ca 0.20 -1.10 -0.13 0.00 0.71 0.00 0.00 54.79 54.47 821p n ASP 105 Cb 0.29 -2.46 -0.11 0.00 -0.02 0.00 0.00 41.12 38.83 821p n ASP 105 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 821p s SER 106 N -3.90 -0.26 0.01 -2.24 0.15 -0.89 -5.01 113.70 101.56 821p s SER 106 Ca 0.34 0.42 0.23 0.00 0.70 0.00 0.00 55.95 57.63 821p s SER 106 Cb -0.19 0.51 0.04 0.00 -1.71 0.00 0.00 66.02 64.67 821p s SER 106 CO 0.94 -0.20 1.07 0.47 1.20 0.00 0.00 173.24 176.73 821p n ASP 107 N 2.46 0.75 -3.78 5.45 8.00 -1.26 -4.40 116.55 123.77 821p n ASP 107 Ca -0.15 -0.62 -0.29 0.00 0.71 0.00 0.00 54.79 54.44 821p n ASP 107 Cb 0.57 0.76 -0.16 0.00 -0.02 0.00 0.00 41.12 42.28 821p n ASP 107 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 821p s ASP 108 N -3.18 3.62 -0.04 -2.24 1.47 -1.26 -5.10 116.67 109.94 821p s ASP 108 Ca 0.08 -1.27 0.06 0.00 1.18 0.00 0.00 52.55 52.60 821p s ASP 108 Cb 0.16 -0.85 -0.02 0.00 -0.34 0.00 0.00 42.92 41.87 821p s ASP 108 CO 0.81 -0.34 -0.21 -0.69 0.68 0.00 0.00 175.17 175.42 821p s VAL 109 N 1.64 2.47 -0.04 2.11 1.01 -1.26 -5.07 120.40 121.26 821p s VAL 109 Ca 0.03 -0.94 -0.36 0.00 0.00 0.00 0.00 61.98 60.71 821p s VAL 109 Cb -0.18 -1.92 -0.14 0.00 0.00 0.00 0.00 36.38 34.15 821p s VAL 109 CO -0.15 0.58 1.70 -2.65 0.00 0.00 0.00 175.10 174.58 821p n PRO 110 N 2.50 1.83 -3.63 2.72 -0.02 -1.26 -4.94 135.00 132.20 821p n PRO 110 Ca -0.17 0.67 -0.16 0.00 -2.02 0.00 0.00 63.50 61.82 821p n PRO 110 Cb 0.52 -2.43 -0.07 0.00 -0.02 0.00 0.00 33.50 31.49 821p n PRO 110 CO 0.00 0.00 0.00 1.41 1.98 0.00 0.00 175.50 178.89 821p s MET 111 N 2.65 0.88 -0.03 -0.52 1.75 -1.26 -1.81 119.30 120.96 821p s MET 111 Ca 0.89 0.10 0.04 0.00 -1.25 0.00 0.00 55.69 55.47 821p s MET 111 Cb -0.80 0.41 -0.00 0.00 2.84 0.00 0.00 34.83 37.27 821p s MET 111 CO 0.50 -0.26 -0.14 0.08 -0.65 0.00 0.00 175.02 174.55 821p s VAL 112 N -1.17 1.14 -0.19 10.11 1.01 -0.83 -4.28 120.40 126.19 821p s VAL 112 Ca -0.12 -0.58 -0.16 0.00 0.00 0.00 0.00 61.98 61.13 821p s VAL 112 Cb -0.02 -0.97 -0.04 0.00 0.00 0.00 0.00 36.38 35.34 821p s VAL 112 CO 0.07 0.33 0.38 -0.22 0.00 0.00 0.00 175.10 175.66 821p s LEU 113 N -0.08 4.18 -0.16 3.92 2.96 -0.36 -0.75 118.68 128.39 821p s LEU 113 Ca 0.00 0.53 0.02 0.00 -0.22 0.00 0.00 54.13 54.46 821p s LEU 113 Cb -0.08 -2.50 0.01 0.00 0.50 0.00 0.00 46.19 44.12 821p s LEU 113 CO 0.01 -0.04 -0.20 -0.69 -1.32 0.00 0.00 176.35 174.10 821p s VAL 114 N 1.11 2.15 -0.51 1.68 1.01 -0.15 -0.80 120.40 124.89 821p s VAL 114 Ca 0.19 -0.94 -0.15 0.00 0.00 0.00 0.00 61.98 61.08 821p s VAL 114 Cb -0.14 -1.88 0.11 0.00 0.00 0.00 0.00 36.38 34.46 821p s VAL 114 CO 0.07 0.54 0.44 -0.83 0.00 0.00 0.00 175.10 175.33 821p s GLY 115 N 0.98 2.07 0.60 4.51 0.00 -0.34 -1.33 107.32 113.80 821p s GLY 115 Ca -0.03 -2.36 -0.01 0.00 0.00 0.00 0.00 44.72 42.32 821p s GLY 115 CO -0.05 1.13 0.85 0.21 0.00 0.00 0.00 173.10 175.24 821p s ASN 116 N 3.11 5.14 -0.83 1.64 2.47 0.46 -1.01 114.94 125.91 821p s ASN 116 Ca 0.04 0.14 -0.01 0.00 0.42 0.00 0.00 52.86 53.45 821p s ASN 116 Cb -0.27 -0.96 0.00 0.00 -1.45 0.00 0.00 41.25 38.57 821p s ASN 116 CO 0.04 -1.28 0.09 0.29 -3.72 0.00 0.00 177.10 172.52 821p n LYS 117 N -2.52 -1.31 0.00 0.43 5.02 -0.51 -0.63 118.16 118.63 821p n LYS 117 Ca 0.08 0.47 0.04 0.00 -2.02 0.00 0.00 58.31 56.88 821p n LYS 117 Cb 0.60 -4.48 0.19 0.00 -0.02 0.00 0.00 35.03 31.32 821p n LYS 117 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 821p h ASP 119 N 0.00 0.00 -3.51 0.00 2.03 -1.92 -3.45 116.42 109.57 821p h ASP 119 Ca 0.00 0.00 -0.52 0.00 -0.73 0.00 0.00 57.03 55.78 821p h ASP 119 Cb 0.11 0.00 -0.01 0.00 -0.83 0.00 0.00 39.33 38.61 821p h ASP 119 CO 0.00 0.00 0.44 -0.76 -1.03 0.00 0.00 179.24 177.89 821p s LEU 120 N -5.35 4.47 0.47 0.15 1.43 -0.19 -4.97 118.68 114.69 821p s LEU 120 Ca 0.06 1.94 0.26 0.00 -1.03 0.00 0.00 54.13 55.36 821p s LEU 120 Cb 0.09 -3.59 0.92 0.00 0.03 0.00 0.00 46.19 43.63 821p s LEU 120 CO 0.55 -0.19 1.82 0.00 0.23 0.00 0.00 176.35 178.75 821p h ALA 121 N 5.59 0.98 -0.96 4.21 0.00 -1.89 -3.38 119.26 123.82 821p h ALA 121 Ca -0.43 -0.12 -0.76 0.00 0.00 0.00 0.00 54.91 53.59 821p h ALA 121 Cb 1.21 -0.02 -0.16 0.00 0.00 0.00 0.00 17.79 18.82 821p h ALA 121 CO 0.73 0.17 1.97 0.00 0.00 0.00 0.00 179.25 182.12 821p n ALA 122 N -2.16 5.75 -1.77 0.00 0.00 -1.26 -5.00 120.51 116.07 821p n ALA 122 Ca 0.01 -4.32 -0.38 0.00 0.00 0.00 0.00 53.44 48.75 821p n ALA 122 Cb 0.43 -2.83 -0.05 0.00 0.00 0.00 0.00 19.45 16.99 821p n ALA 122 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 177.50 176.52 821p s ARG 123 N -0.51 4.58 -0.00 0.00 1.70 -1.26 -4.52 118.95 118.93 821p s ARG 123 Ca 0.42 1.53 0.08 0.00 -0.47 0.00 0.00 55.73 57.29 821p s ARG 123 Cb 0.12 -2.96 -0.09 0.00 -0.57 0.00 0.00 34.95 31.45 821p s ARG 123 CO -0.01 0.23 0.30 0.25 -1.08 0.00 0.00 175.30 174.99 821p n THR 124 N 0.81 0.00 -3.97 4.99 -2.24 -0.18 -4.91 114.28 108.78 821p n THR 124 Ca 0.01 -0.30 -0.34 0.00 -2.27 0.00 0.00 64.05 61.15 821p n THR 124 Cb 0.48 0.90 -0.14 0.00 -2.10 0.00 0.00 70.33 69.46 821p n THR 124 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 821p s VAL 125 N -1.85 2.80 0.41 2.28 1.01 -0.42 -4.86 120.40 119.77 821p s VAL 125 Ca 0.02 -1.10 -0.25 0.00 0.00 0.00 0.00 61.98 60.65 821p s VAL 125 Cb 0.06 -2.45 -0.08 0.00 0.00 0.00 0.00 36.38 33.91 821p s VAL 125 CO 0.32 0.16 1.21 -1.61 0.00 0.00 0.00 175.10 175.18 821p s GLU 126 N 1.30 3.96 0.27 2.72 8.01 -1.26 -4.92 118.70 128.78 821p s GLU 126 Ca -0.01 1.92 0.00 0.00 0.01 0.00 0.00 54.97 56.89 821p s GLU 126 Cb -0.17 -2.65 0.57 0.00 -4.31 0.00 0.00 34.13 27.57 821p s GLU 126 CO -0.05 -0.42 1.77 0.77 0.01 0.00 0.00 175.26 177.34 821p h SER 127 N 2.53 0.58 -0.94 -0.19 0.02 -1.99 -1.28 113.55 112.29 821p h SER 127 Ca -0.49 0.09 0.10 0.00 -0.84 0.00 0.00 61.79 60.65 821p h SER 127 Cb 1.24 -0.01 -0.08 0.00 0.14 0.00 0.00 62.40 63.70 821p h SER 127 CO 0.62 0.24 0.58 -0.09 -1.14 0.00 0.00 176.83 177.04 821p h ARG 128 N 0.66 0.94 -0.21 3.45 9.65 -1.98 0.31 114.38 127.20 821p h ARG 128 Ca 0.48 -0.06 -0.01 0.00 -1.10 0.00 0.00 59.98 59.29 821p h ARG 128 Cb 0.69 -0.21 -0.01 0.00 -1.39 0.00 0.00 29.97 29.05 821p h ARG 128 CO -0.36 0.62 0.07 1.96 2.80 0.00 0.00 179.97 185.06 821p h GLN 129 N 0.97 0.31 -0.37 0.20 4.20 -1.62 -1.08 115.11 117.73 821p h GLN 129 Ca 0.45 -0.06 -0.13 0.00 0.06 0.00 0.00 58.65 58.97 821p h GLN 129 Cb 0.36 -0.05 -0.01 0.00 0.30 0.00 0.00 27.48 28.08 821p h GLN 129 CO -0.23 0.39 -0.28 0.00 -0.67 0.00 0.00 178.83 178.04 821p h ALA 130 N 0.91 0.82 -0.28 3.87 0.00 -1.00 -1.92 119.26 121.65 821p h ALA 130 Ca 0.07 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.57 821p h ALA 130 Cb 0.20 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 821p h ALA 130 CO -0.00 0.64 0.14 0.37 0.00 0.00 0.00 179.25 180.40 821p h GLN 131 N 0.66 0.41 -0.66 0.00 5.75 -0.25 0.24 115.11 121.27 821p h GLN 131 Ca 0.08 -0.06 -0.06 0.00 -0.15 0.00 0.00 58.65 58.46 821p h GLN 131 Cb 0.80 -0.07 -0.03 0.00 1.07 0.00 0.00 27.48 29.25 821p h GLN 131 CO 0.07 0.39 0.16 -0.44 -2.65 0.00 0.00 178.83 176.35 821p h ASP 132 N 0.33 0.99 -0.06 -0.69 3.32 -1.11 -1.41 116.42 117.78 821p h ASP 132 Ca 0.10 -0.20 -0.00 0.00 0.02 0.00 0.00 57.03 56.94 821p h ASP 132 Cb 0.11 -0.26 -0.00 0.00 0.22 0.00 0.00 39.33 39.40 821p h ASP 132 CO -0.01 0.95 0.03 0.25 -1.72 0.00 0.00 179.24 178.74 821p h LEU 133 N 1.00 0.07 -0.60 1.55 5.85 -1.13 -0.10 115.31 121.95 821p h LEU 133 Ca 0.21 -0.06 0.03 0.00 0.84 0.00 0.00 57.88 58.90 821p h LEU 133 Cb 0.36 -0.02 -0.04 0.00 0.37 0.00 0.00 40.66 41.33 821p h LEU 133 CO 0.00 0.11 0.36 0.00 -0.34 0.00 0.00 178.44 178.57 821p h ALA 134 N 0.96 0.77 -0.48 1.25 0.00 -0.79 -1.23 119.26 119.74 821p h ALA 134 Ca 0.02 -0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.84 821p h ALA 134 Cb 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.66 821p h ALA 134 CO -0.00 0.09 -0.01 -0.09 0.00 0.00 0.00 179.25 179.23 821p h ARG 135 N 0.70 0.81 0.00 0.00 2.43 -1.12 0.15 114.38 117.35 821p h ARG 135 Ca 0.24 -0.22 -0.01 0.00 -0.81 0.00 0.00 59.98 59.18 821p h ARG 135 Cb 0.04 -0.09 -0.00 0.00 -0.42 0.00 0.00 29.97 29.50 821p h ARG 135 CO -0.11 0.82 -0.06 0.66 -1.51 0.00 0.00 179.97 179.77 821p h SER 136 N 0.75 0.00 0.68 -3.80 4.64 -0.11 0.10 113.55 115.81 821p h SER 136 Ca 0.14 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.46 821p h SER 136 Cb 0.47 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.56 821p h SER 136 CO 0.02 0.06 -0.47 -1.22 -0.87 0.00 0.00 176.83 174.35 821p n TYR 137 N -4.09 0.18 -2.48 4.77 4.01 0.20 -4.95 117.16 114.81 821p n TYR 137 Ca -0.03 0.05 -0.11 0.00 -0.16 0.00 0.00 57.90 57.65 821p n TYR 137 Cb 0.15 -0.41 0.01 0.00 -0.31 0.00 0.00 39.34 38.78 821p n TYR 137 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 821p n GLY 138 N 1.45 0.00 3.24 2.72 0.00 0.28 -5.04 105.19 107.84 821p n GLY 138 Ca 0.05 -0.36 -0.17 0.00 0.00 0.00 0.00 46.02 45.54 821p n GLY 138 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 821p s ILE 139 N -2.74 1.28 0.59 -0.61 -4.36 -0.73 -5.02 121.20 109.62 821p s ILE 139 Ca 0.10 -1.76 -0.18 0.00 -0.26 0.00 0.00 60.65 58.55 821p s ILE 139 Cb -0.04 -1.56 -0.03 0.00 1.25 0.00 0.00 42.46 42.08 821p s ILE 139 CO 0.12 -0.47 1.15 -2.84 0.24 0.00 0.00 174.94 173.14 821p s PRO 140 N -2.82 3.06 -0.11 0.37 0.02 -1.26 -4.22 135.00 130.04 821p s PRO 140 Ca 0.10 1.64 0.02 0.00 0.02 0.00 0.00 61.00 62.78 821p s PRO 140 Cb -0.04 -1.96 -0.01 0.00 0.02 0.00 0.00 34.50 32.51 821p s PRO 140 CO 0.03 -1.09 -0.17 -0.47 -0.33 0.00 0.00 177.00 174.96 821p s TYR 141 N -1.84 2.69 -0.05 6.54 5.04 -1.26 -1.22 117.35 127.26 821p s TYR 141 Ca 0.73 -0.73 0.01 0.00 -2.44 0.00 0.00 57.07 54.64 821p s TYR 141 Cb -0.25 -1.76 0.02 0.00 0.35 0.00 0.00 41.96 40.31 821p s TYR 141 CO 0.33 -0.24 -0.05 0.42 -1.34 0.00 0.00 175.55 174.67 821p s ILE 142 N 0.21 0.57 0.03 3.14 1.01 0.02 -4.98 121.20 121.20 821p s ILE 142 Ca -0.11 -0.14 -0.12 0.00 0.00 0.00 0.00 60.65 60.28 821p s ILE 142 Cb -0.16 -0.59 -0.06 0.00 0.01 0.00 0.00 42.46 41.66 821p s ILE 142 CO 0.06 0.23 0.39 -1.61 0.00 0.00 0.00 174.94 174.01 821p s GLU 143 N 0.90 3.81 0.11 2.79 2.02 -1.26 -1.20 118.70 125.87 821p s GLU 143 Ca -0.11 0.27 0.01 0.00 0.02 0.00 0.00 54.97 55.16 821p s GLU 143 Cb -0.14 -3.12 -0.04 0.00 0.10 0.00 0.00 34.13 30.92 821p s GLU 143 CO 0.00 0.64 -0.02 0.95 0.02 0.00 0.00 175.26 176.85 821p s THR 144 N -1.22 0.49 -0.17 3.63 -4.23 -0.18 -4.44 115.64 109.53 821p s THR 144 Ca 0.27 -1.92 -0.04 0.00 -1.18 0.00 0.00 61.69 58.82 821p s THR 144 Cb -0.15 -1.82 0.06 0.00 1.34 0.00 0.00 72.50 71.92 821p s THR 144 CO 0.15 -0.73 0.08 -0.55 -0.54 0.00 0.00 174.62 173.03 821p s SER 145 N -3.05 2.36 0.59 3.99 0.15 0.17 -1.43 113.70 116.49 821p s SER 145 Ca 0.16 -0.60 0.35 0.00 0.70 0.00 0.00 55.95 56.55 821p s SER 145 Cb 0.06 -0.30 1.85 0.00 -1.71 0.00 0.00 66.02 65.93 821p s SER 145 CO -0.03 -0.34 2.20 0.00 1.20 0.00 0.00 173.24 176.28 821p h ALA 146 N 8.39 1.18 -0.10 5.45 0.00 -1.90 0.15 119.26 132.43 821p h ALA 146 Ca -0.15 -0.04 -0.10 0.00 0.00 0.00 0.00 54.91 54.62 821p h ALA 146 Cb 1.14 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.93 821p h ALA 146 CO 0.29 0.05 -0.32 -0.22 0.00 0.00 0.00 179.25 179.04 821p h LYS 147 N 0.00 0.40 0.00 0.00 3.64 -1.93 -3.34 116.57 115.34 821p h LYS 147 Ca -0.00 -0.29 0.00 0.00 -1.27 0.00 0.00 60.65 59.09 821p h LYS 147 Cb 0.19 0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.06 821p h LYS 147 CO 0.01 0.92 -1.08 0.25 -2.27 0.00 0.00 179.45 177.27 821p n THR 148 N -4.40 0.20 -0.77 1.00 -2.24 -1.14 -4.88 114.28 102.04 821p n THR 148 Ca -0.08 -0.28 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 821p n THR 148 Cb 0.50 0.16 0.00 0.00 -2.10 0.00 0.00 70.33 68.88 821p n THR 148 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 821p n ARG 149 N -2.03 0.00 -1.68 -0.78 0.63 0.49 -5.02 116.66 108.27 821p n ARG 149 Ca 0.01 0.00 -0.45 0.00 -0.92 0.00 0.00 57.85 56.50 821p n ARG 149 Cb 0.45 -1.95 -0.04 0.00 0.45 0.00 0.00 32.46 31.37 821p n ARG 149 CO 0.00 0.00 0.00 0.94 -2.51 0.00 0.00 177.63 176.06 821p n GLN 150 N -2.03 2.45 -0.81 -0.14 7.27 -1.06 -2.30 117.38 120.75 821p n GLN 150 Ca 0.00 0.89 0.00 0.00 0.07 0.00 0.00 57.00 57.96 821p n GLN 150 Cb 0.00 -2.72 0.00 0.00 2.41 0.00 0.00 30.24 29.93 821p n GLN 150 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 821p n GLY 151 N 3.91 0.62 0.26 1.69 0.00 -1.26 -0.65 105.19 109.76 821p n GLY 151 Ca 0.18 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.06 821p n GLY 151 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 821p h VAL 152 N 0.00 0.50 -0.71 1.61 2.07 -1.77 0.16 116.25 118.11 821p h VAL 152 Ca 0.00 -0.41 -0.00 0.00 0.82 0.00 0.00 66.70 67.11 821p h VAL 152 Cb 0.00 0.67 -0.03 0.00 -1.52 0.00 0.00 31.29 30.41 821p h VAL 152 CO 0.00 0.07 0.42 -0.33 0.02 0.00 0.00 177.57 177.75 821p h GLU 153 N -0.85 0.96 -0.14 1.57 5.08 -1.91 -2.53 114.58 116.75 821p h GLU 153 Ca -0.06 -0.08 0.02 0.00 -1.00 0.00 0.00 59.36 58.23 821p h GLU 153 Cb 0.56 -0.20 -0.02 0.00 0.50 0.00 0.00 28.75 29.59 821p h GLU 153 CO 0.10 0.68 0.02 0.22 -1.00 0.00 0.00 179.01 179.02 821p h ASP 154 N 0.98 -0.02 -0.09 1.42 1.82 -1.87 0.36 116.42 119.02 821p h ASP 154 Ca 0.26 0.02 0.02 0.00 -0.39 0.00 0.00 57.03 56.94 821p h ASP 154 Cb -0.03 0.04 -0.02 0.00 0.68 0.00 0.00 39.33 40.00 821p h ASP 154 CO -0.05 0.01 -0.02 0.00 -1.61 0.00 0.00 179.24 177.58 821p h ALA 155 N 1.11 0.06 -0.21 -0.78 0.00 -0.30 0.86 119.26 120.01 821p h ALA 155 Ca 0.06 0.03 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 821p h ALA 155 Cb 0.06 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.91 821p h ALA 155 CO -0.09 -0.48 -0.57 0.74 0.00 0.00 0.00 179.25 178.84 821p h PHE 156 N 0.01 0.83 -0.08 0.00 -1.00 -1.30 -2.66 116.94 112.74 821p h PHE 156 Ca 0.04 -0.30 -0.17 0.00 2.81 0.00 0.00 57.97 60.34 821p h PHE 156 Cb 0.06 -0.15 -0.01 0.00 3.61 0.00 0.00 35.95 39.46 821p h PHE 156 CO -0.14 1.07 -0.69 1.88 -1.61 0.00 0.00 178.31 178.83 821p h TYR 157 N 0.50 0.49 -0.70 -0.55 0.05 -0.10 -2.17 116.97 114.50 821p h TYR 157 Ca 0.00 -0.21 -0.02 0.00 0.05 0.00 0.00 58.73 58.56 821p h TYR 157 Cb 1.14 -0.08 -0.03 0.00 1.01 0.00 0.00 36.73 38.77 821p h TYR 157 CO 0.06 0.94 0.36 1.15 -1.05 0.00 0.00 178.16 179.62 821p h THR 158 N 0.26 1.22 -0.59 -2.88 2.02 -0.84 -0.30 112.91 111.80 821p h THR 158 Ca -0.02 -0.60 0.01 0.00 0.77 0.00 0.00 66.41 66.57 821p h THR 158 Cb 1.25 0.34 -0.03 0.00 -1.74 0.00 0.00 68.15 67.96 821p h THR 158 CO 0.12 0.25 0.38 0.25 0.37 0.00 0.00 175.52 176.89 821p h LEU 159 N 0.96 0.66 -0.60 2.58 5.85 -1.15 -0.01 115.31 123.60 821p h LEU 159 Ca 0.24 -0.01 0.06 0.00 0.84 0.00 0.00 57.88 59.01 821p h LEU 159 Cb 0.08 -0.16 -0.05 0.00 0.37 0.00 0.00 40.66 40.90 821p h LEU 159 CO -0.03 0.47 0.32 0.58 -0.34 0.00 0.00 178.44 179.43 821p h VAL 160 N 0.78 0.95 -0.20 1.05 2.07 -0.99 -1.45 116.25 118.46 821p h VAL 160 Ca 0.22 -0.20 -0.05 0.00 0.82 0.00 0.00 66.70 67.49 821p h VAL 160 Cb -0.06 0.30 -0.01 0.00 -1.52 0.00 0.00 31.29 29.99 821p h VAL 160 CO -0.06 0.11 -0.09 0.03 0.02 0.00 0.00 177.57 177.58 821p h ARG 161 N 0.60 0.31 -0.50 1.57 3.08 -0.43 0.65 114.38 119.66 821p h ARG 161 Ca 0.27 -0.07 -0.08 0.00 0.07 0.00 0.00 59.98 60.17 821p h ARG 161 Cb 0.18 -0.04 -0.02 0.00 0.08 0.00 0.00 29.97 30.17 821p h ARG 161 CO -0.18 0.42 -0.00 0.93 -1.07 0.00 0.00 179.97 180.06 821p h GLU 162 N 0.29 0.88 -0.07 0.04 4.39 -0.22 -2.62 114.58 117.29 821p h GLU 162 Ca 0.06 -0.28 0.00 0.00 0.34 0.00 0.00 59.36 59.48 821p h GLU 162 Cb 0.36 -0.08 -0.00 0.00 -0.10 0.00 0.00 28.75 28.92 821p h GLU 162 CO 0.02 0.92 0.05 0.82 -1.16 0.00 0.00 179.01 179.65 821p h ILE 163 N 0.75 1.02 -0.71 3.13 2.04 -0.92 -2.85 117.51 119.97 821p h ILE 163 Ca 0.14 -0.03 0.17 0.00 1.00 0.00 0.00 64.86 66.14 821p h ILE 163 Cb 0.52 0.92 -0.04 0.00 -0.74 0.00 0.00 36.82 37.48 821p h ILE 163 CO 0.03 0.02 0.49 0.03 0.00 0.00 0.00 178.15 178.71 821p h ARG 164 N 0.09 0.20 -0.36 2.37 3.08 -0.56 -1.85 114.38 117.34 821p h ARG 164 Ca 0.02 -0.01 -0.20 0.00 0.07 0.00 0.00 59.98 59.86 821p h ARG 164 Cb -0.01 -0.04 -0.12 0.00 0.08 0.00 0.00 29.97 29.88 821p h ARG 164 CO -0.01 0.13 -0.13 1.04 -1.07 0.00 0.00 179.97 179.93 821p n GLN 165 N -4.42 1.91 0.00 0.04 6.02 -1.01 -5.10 117.38 114.82 821p n GLN 165 Ca 0.14 -3.26 0.14 0.00 -0.01 0.00 0.00 57.00 54.01 821p n GLN 165 Cb 0.64 -1.84 0.82 0.00 1.02 0.00 0.00 30.24 30.88 821p n GLN 165 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63