#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6s s ASN 2 N 0.00 6.62 -0.37 3.17 -0.87 -1.26 -4.96 114.94 117.26 1p6s s ASN 2 Ca 0.00 2.78 0.12 0.00 -1.57 0.00 0.00 52.86 54.19 1p6s s ASN 2 Cb 0.00 -2.65 0.36 0.00 -0.02 0.00 0.00 41.25 38.95 1p6s s ASN 2 CO 0.00 -0.68 0.83 1.21 -2.57 0.00 0.00 177.10 175.89 1p6s n GLU 3 N 1.20 1.01 -4.62 -0.60 2.13 -1.26 -5.09 120.64 113.41 1p6s n GLU 3 Ca 0.02 -3.15 -0.32 0.00 0.66 0.00 0.00 57.16 54.38 1p6s n GLU 3 Cb 0.41 -1.52 -0.17 0.00 0.27 0.00 0.00 31.44 30.43 1p6s n GLU 3 CO 0.00 0.00 0.00 0.08 -0.41 0.00 0.00 177.13 176.80 1p6s s VAL 4 N -2.15 1.95 0.50 6.31 1.01 -1.26 -5.05 120.40 121.71 1p6s s VAL 4 Ca 0.35 -0.91 0.05 0.00 0.00 0.00 0.00 61.98 61.48 1p6s s VAL 4 Cb 0.36 -1.73 0.04 0.00 0.00 0.00 0.00 36.38 35.04 1p6s s VAL 4 CO -0.06 0.53 0.69 -0.44 0.00 0.00 0.00 175.10 175.82 1p6s s SER 5 N 0.86 5.37 -0.08 3.32 0.01 -1.26 -4.79 113.70 117.13 1p6s s SER 5 Ca -0.07 -0.34 -0.26 0.00 1.31 0.00 0.00 55.95 56.59 1p6s s SER 5 Cb -0.15 -0.56 -0.03 0.00 0.21 0.00 0.00 66.02 65.49 1p6s s SER 5 CO -0.02 -1.03 0.83 -0.69 0.41 0.00 0.00 173.24 172.73 1p6s s VAL 6 N -2.58 4.94 -0.08 3.43 1.01 -1.26 0.07 120.40 125.93 1p6s s VAL 6 Ca 0.57 1.69 -0.19 0.00 0.00 0.00 0.00 61.98 64.05 1p6s s VAL 6 Cb -0.09 -4.15 -0.29 0.00 0.00 0.00 0.00 36.38 31.85 1p6s s VAL 6 CO 0.36 0.15 0.69 0.40 0.00 0.00 0.00 175.10 176.71 1p6s h ILE 7 N 4.91 1.24 -2.98 2.22 1.08 -0.67 -3.45 117.51 119.86 1p6s h ILE 7 Ca -0.37 -2.45 -0.15 0.00 -0.39 0.00 0.00 64.86 61.49 1p6s h ILE 7 Cb 1.18 2.92 -0.26 0.00 -3.07 0.00 0.00 36.82 37.59 1p6s h ILE 7 CO 0.78 0.69 -0.37 -0.75 -0.69 0.00 0.00 178.15 177.81 1p6s s LYS 8 N -2.45 0.34 -0.00 2.37 2.47 -1.08 -5.01 119.74 116.38 1p6s s LYS 8 Ca -0.17 0.46 0.02 0.00 -1.56 0.00 0.00 55.97 54.72 1p6s s LYS 8 Cb 0.03 0.12 -0.00 0.00 -1.46 0.00 0.00 37.83 36.51 1p6s s LYS 8 CO 0.79 -0.07 -0.05 -1.83 0.16 0.00 0.00 175.35 174.35 1p6s s GLU 9 N 0.40 0.42 0.12 4.03 -1.05 -1.26 0.11 118.70 121.48 1p6s s GLU 9 Ca -0.02 -0.20 -0.26 0.00 -0.15 0.00 0.00 54.97 54.35 1p6s s GLU 9 Cb -0.04 -0.41 0.08 0.00 -0.44 0.00 0.00 34.13 33.33 1p6s s GLU 9 CO -0.02 0.11 1.05 0.20 0.95 0.00 0.00 175.26 177.56 1p6s s GLY 10 N -0.15 -0.19 -0.12 -3.83 0.00 0.60 -4.99 107.32 98.64 1p6s s GLY 10 Ca 0.02 0.14 -0.21 0.00 0.00 0.00 0.00 44.72 44.66 1p6s s GLY 10 CO -0.00 0.67 0.63 -0.98 0.00 0.00 0.00 173.10 173.41 1p6s s TRP 11 N -2.84 3.50 0.20 1.90 0.52 -1.26 0.27 118.94 121.23 1p6s s TRP 11 Ca 0.15 1.07 0.08 0.00 0.02 0.00 0.00 56.10 57.42 1p6s s TRP 11 Cb -0.00 -2.74 -0.05 0.00 -1.15 0.00 0.00 33.47 29.53 1p6s s TRP 11 CO 0.02 0.03 -0.16 -0.51 0.02 0.00 0.00 176.95 176.35 1p6s s LEU 12 N 1.10 2.53 -0.20 2.99 1.43 0.59 -3.36 118.68 123.76 1p6s s LEU 12 Ca 0.32 -0.99 -0.12 0.00 -1.03 0.00 0.00 54.13 52.32 1p6s s LEU 12 Cb -0.16 -0.75 -0.05 0.00 0.03 0.00 0.00 46.19 45.26 1p6s s LEU 12 CO 0.14 -0.12 0.21 -1.00 0.23 0.00 0.00 176.35 175.81 1p6s s HIS 13 N -2.72 3.40 -0.08 0.29 3.76 0.19 0.62 115.29 120.75 1p6s s HIS 13 Ca 0.22 0.41 0.05 0.00 -0.15 0.00 0.00 55.06 55.59 1p6s s HIS 13 Cb -0.02 -2.27 -0.01 0.00 1.11 0.00 0.00 32.58 31.39 1p6s s HIS 13 CO 0.08 0.20 -0.24 0.15 -0.85 0.00 0.00 174.74 174.08 1p6s s LYS 14 N 0.61 2.81 0.48 1.40 -0.14 0.11 -1.03 119.74 123.98 1p6s s LYS 14 Ca 0.11 -0.88 -0.22 0.00 -1.36 0.00 0.00 55.97 53.63 1p6s s LYS 14 Cb -0.12 -2.25 -0.07 0.00 -1.68 0.00 0.00 37.83 33.70 1p6s s LYS 14 CO 0.02 0.30 1.13 0.50 -0.76 0.00 0.00 175.35 176.54 1p6s s ARG 15 N 0.06 3.70 -0.10 1.68 3.52 -1.26 -0.25 118.95 126.29 1p6s s ARG 15 Ca -0.10 1.67 0.02 0.00 -0.13 0.00 0.00 55.73 57.19 1p6s s ARG 15 Cb -0.16 -2.29 -0.02 0.00 -1.56 0.00 0.00 34.95 30.93 1p6s s ARG 15 CO 0.06 -0.58 -0.15 0.20 -0.81 0.00 0.00 175.30 174.03 1p6s s GLY 16 N -1.54 1.51 0.00 8.12 0.00 -1.00 -4.89 107.32 109.52 1p6s s GLY 16 Ca 0.66 -0.93 0.00 0.00 0.00 0.00 0.00 44.72 44.45 1p6s s GLY 16 CO 0.31 -0.41 0.00 -2.21 0.00 0.00 0.00 173.10 170.79 1p6s n GLU 17 N 3.11 0.00 0.01 2.90 2.13 -1.26 -3.44 120.64 124.09 1p6s n GLU 17 Ca -0.18 0.00 0.11 0.00 0.66 0.00 0.00 57.16 57.76 1p6s n GLU 17 Cb 0.53 0.00 0.12 0.00 0.27 0.00 0.00 31.44 32.35 1p6s n GLU 17 CO 0.00 0.00 0.00 2.48 -0.41 0.00 0.00 177.13 179.20 1p6s n TYR 18 N 0.00 0.11 -1.20 4.31 0.18 -1.26 -4.95 117.16 114.36 1p6s n TYR 18 Ca 0.00 0.03 -0.34 0.00 1.88 0.00 0.00 57.90 59.48 1p6s n TYR 18 Cb 0.00 -0.28 0.12 0.00 -0.38 0.00 0.00 39.34 38.79 1p6s n TYR 18 CO 0.00 0.00 0.00 -1.50 -2.08 0.00 0.00 176.86 173.28 1p6s s ILE 19 N -3.06 2.11 -1.18 -3.48 1.10 -1.22 -4.88 121.20 110.58 1p6s s ILE 19 Ca 0.08 0.05 -0.06 0.00 -0.51 0.00 0.00 60.65 60.21 1p6s s ILE 19 Cb 0.16 -2.51 0.06 0.00 0.15 0.00 0.00 42.46 40.32 1p6s s ILE 19 CO 0.76 -0.03 2.59 0.29 -2.11 0.00 0.00 174.94 176.44 1p6s n LYS 20 N -3.15 4.02 -4.62 3.50 5.02 -1.26 -4.59 118.16 117.08 1p6s n LYS 20 Ca 0.14 -2.99 -0.22 0.00 -2.02 0.00 0.00 58.31 53.22 1p6s n LYS 20 Cb 0.50 -2.56 -0.15 0.00 -0.02 0.00 0.00 35.03 32.80 1p6s n LYS 20 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1p6s s THR 21 N -0.70 1.08 -0.10 -0.18 2.01 -1.26 -5.09 115.64 111.40 1p6s s THR 21 Ca 0.58 -0.57 0.03 0.00 0.31 0.00 0.00 61.69 62.04 1p6s s THR 21 Cb 0.22 -0.91 -0.01 0.00 0.01 0.00 0.00 72.50 71.81 1p6s s THR 21 CO -0.10 0.31 -0.19 0.26 -0.69 0.00 0.00 174.62 174.20 1p6s s TRP 22 N -0.21 2.64 -0.05 4.92 0.52 -1.26 -2.38 118.94 123.12 1p6s s TRP 22 Ca 0.03 -0.75 -0.00 0.00 0.02 0.00 0.00 56.10 55.40 1p6s s TRP 22 Cb -0.06 -1.73 -0.03 0.00 -1.15 0.00 0.00 33.47 30.49 1p6s s TRP 22 CO -0.00 -0.25 -0.02 -0.98 0.02 0.00 0.00 176.95 175.73 1p6s s ARG 23 N 0.14 2.85 0.16 4.98 1.70 0.65 -4.71 118.95 124.72 1p6s s ARG 23 Ca -0.10 -0.51 -0.30 0.00 -0.47 0.00 0.00 55.73 54.35 1p6s s ARG 23 Cb -0.16 -2.70 -0.08 0.00 -0.57 0.00 0.00 34.95 31.45 1p6s s ARG 23 CO 0.06 0.67 1.24 -1.25 -1.08 0.00 0.00 175.30 174.94 1p6s s PRO 24 N -1.08 4.44 0.01 3.89 0.04 -1.26 0.05 135.00 141.09 1p6s s PRO 24 Ca 0.15 1.92 -0.00 0.00 0.04 0.00 0.00 61.00 63.10 1p6s s PRO 24 Cb -0.11 -3.25 -0.01 0.00 0.04 0.00 0.00 34.50 31.17 1p6s s PRO 24 CO 0.05 -0.20 -0.01 1.03 0.04 0.00 0.00 177.00 177.91 1p6s s ARG 25 N 0.19 0.13 -0.59 4.56 0.52 0.20 -4.89 118.95 119.08 1p6s s ARG 25 Ca 0.56 -0.23 -0.27 0.00 -0.52 0.00 0.00 55.73 55.27 1p6s s ARG 25 Cb -0.33 0.05 0.00 0.00 0.52 0.00 0.00 34.95 35.19 1p6s s ARG 25 CO 0.35 -0.02 1.56 -0.47 0.02 0.00 0.00 175.30 176.73 1p6s s TYR 26 N -0.57 2.06 -0.04 -0.53 5.04 0.74 -0.30 117.35 123.74 1p6s s TYR 26 Ca -0.06 0.50 -0.06 0.00 -2.44 0.00 0.00 57.07 55.00 1p6s s TYR 26 Cb -0.04 -4.32 -0.04 0.00 0.35 0.00 0.00 41.96 37.91 1p6s s TYR 26 CO -0.00 -2.17 0.21 -0.06 -1.34 0.00 0.00 175.55 172.19 1p6s s PHE 27 N 6.98 3.59 -0.04 4.97 0.40 0.14 0.15 117.98 134.17 1p6s s PHE 27 Ca 0.56 0.53 -0.01 0.00 -0.60 0.00 0.00 56.93 57.41 1p6s s PHE 27 Cb -0.12 -1.95 0.03 0.00 0.51 0.00 0.00 43.02 41.49 1p6s s PHE 27 CO 0.23 0.67 0.03 -0.51 0.70 0.00 0.00 175.22 176.33 1p6s s LEU 28 N -1.52 0.77 -0.25 -0.37 1.02 0.92 -0.29 118.68 118.97 1p6s s LEU 28 Ca 0.23 0.02 -0.11 0.00 0.02 0.00 0.00 54.13 54.29 1p6s s LEU 28 Cb -0.13 -0.18 -0.05 0.00 0.02 0.00 0.00 46.19 45.85 1p6s s LEU 28 CO 0.13 -0.16 0.17 -0.22 0.02 0.00 0.00 176.35 176.28 1p6s s LEU 29 N 1.49 4.10 0.58 1.79 0.20 0.12 -0.22 118.68 126.73 1p6s s LEU 29 Ca -0.03 0.10 -0.05 0.00 0.69 0.00 0.00 54.13 54.84 1p6s s LEU 29 Cb -0.13 -2.12 0.01 0.00 -0.43 0.00 0.00 46.19 43.53 1p6s s LEU 29 CO -0.03 0.04 0.87 -0.54 -0.29 0.00 0.00 176.35 176.41 1p6s s LYS 30 N 1.18 2.85 0.00 1.98 -0.14 -0.56 -0.01 119.74 125.04 1p6s s LYS 30 Ca 0.08 -0.13 0.20 0.00 -1.36 0.00 0.00 55.97 54.75 1p6s s LYS 30 Cb -0.14 -2.31 1.12 0.00 -1.68 0.00 0.00 37.83 34.82 1p6s s LYS 30 CO 0.06 -0.69 1.58 0.45 -0.76 0.00 0.00 175.35 175.98 1p6s n SER 31 N -2.54 0.00 -0.06 2.83 2.88 0.11 -2.65 113.62 114.20 1p6s n SER 31 Ca 0.05 -0.43 0.12 0.00 -1.33 0.00 0.00 58.87 57.28 1p6s n SER 31 Cb 0.58 -0.09 0.23 0.00 -0.75 0.00 0.00 64.21 64.18 1p6s n SER 31 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1p6s n ASP 32 N -1.09 0.69 -0.14 -3.46 2.03 -1.26 -3.15 116.55 110.16 1p6s n ASP 32 Ca 0.13 -0.48 0.00 0.00 0.52 0.00 0.00 54.79 54.96 1p6s n ASP 32 Cb 0.09 0.31 0.00 0.00 -0.72 0.00 0.00 41.12 40.81 1p6s n ASP 32 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1p6s n GLY 33 N 1.47 0.90 2.76 0.27 0.00 -1.08 -4.73 105.19 104.78 1p6s n GLY 33 Ca 0.07 -0.16 -0.22 0.00 0.00 0.00 0.00 46.02 45.71 1p6s n GLY 33 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1p6s s SER 34 N -2.12 1.43 -0.24 1.61 1.04 -1.26 0.07 113.70 114.23 1p6s s SER 34 Ca 0.00 -0.05 -0.15 0.00 0.48 0.00 0.00 55.95 56.23 1p6s s SER 34 Cb 0.00 -0.38 -0.04 0.00 0.10 0.00 0.00 66.02 65.70 1p6s s SER 34 CO 0.00 -0.19 0.36 0.12 0.98 0.00 0.00 173.24 174.51 1p6s s PHE 35 N 1.93 3.30 -0.20 5.02 2.19 0.14 -1.50 117.98 128.85 1p6s s PHE 35 Ca 0.04 0.47 -0.06 0.00 0.33 0.00 0.00 56.93 57.70 1p6s s PHE 35 Cb -0.12 -2.53 -0.03 0.00 -1.31 0.00 0.00 43.02 39.03 1p6s s PHE 35 CO -0.04 -0.12 0.04 0.42 1.83 0.00 0.00 175.22 177.34 1p6s s ILE 36 N 1.71 4.32 -0.31 3.12 1.09 0.69 0.59 121.20 132.40 1p6s s ILE 36 Ca 0.16 -0.19 -0.09 0.00 -1.10 0.00 0.00 60.65 59.43 1p6s s ILE 36 Cb -0.15 -2.96 -0.00 0.00 -1.06 0.00 0.00 42.46 38.28 1p6s s ILE 36 CO 0.09 0.42 0.15 -0.83 -0.10 0.00 0.00 174.94 174.66 1p6s s GLY 37 N 0.92 1.86 -0.10 6.18 0.00 0.88 -0.05 107.32 117.01 1p6s s GLY 37 Ca 0.03 -1.43 -0.05 0.00 0.00 0.00 0.00 44.72 43.27 1p6s s GLY 37 CO 0.02 0.70 0.11 -0.19 0.00 0.00 0.00 173.10 173.75 1p6s s TYR 38 N 1.59 3.48 0.18 1.90 1.51 0.12 -1.10 117.35 125.04 1p6s s TYR 38 Ca 0.04 0.43 -0.13 0.00 -1.01 0.00 0.00 57.07 56.40 1p6s s TYR 38 Cb -0.17 -1.89 0.16 0.00 -0.11 0.00 0.00 41.96 39.95 1p6s s TYR 38 CO 0.06 0.66 1.74 0.87 -1.11 0.00 0.00 175.55 177.77 1p6s h LYS 39 N 4.89 0.30 0.00 -0.62 1.57 -1.93 0.21 116.57 120.99 1p6s h LYS 39 Ca -0.53 -0.02 -0.12 0.00 -1.87 0.00 0.00 60.65 58.10 1p6s h LYS 39 Cb 1.22 -0.07 -0.03 0.00 0.08 0.00 0.00 32.23 33.43 1p6s h LYS 39 CO 0.58 0.20 -0.11 -1.91 -0.57 0.00 0.00 179.45 177.64 1p6s n GLU 40 N -5.04 0.16 0.06 3.15 2.13 -1.26 -4.17 120.64 115.68 1p6s n GLU 40 Ca 0.05 -0.97 -0.07 0.00 0.66 0.00 0.00 57.16 56.82 1p6s n GLU 40 Cb 0.20 0.84 -0.05 0.00 0.27 0.00 0.00 31.44 32.71 1p6s n GLU 40 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p6s h ARG 41 N 0.00 -0.24 -6.32 5.31 3.08 -1.95 -3.43 114.38 110.83 1p6s h ARG 41 Ca -0.08 0.02 -0.55 0.00 0.07 0.00 0.00 59.98 59.44 1p6s h ARG 41 Cb 0.37 0.06 -0.03 0.00 0.08 0.00 0.00 29.97 30.45 1p6s h ARG 41 CO 0.11 0.03 0.42 -1.25 -1.07 0.00 0.00 179.97 178.21 1p6s s PRO 42 N -2.80 4.50 -0.04 0.04 0.04 -1.26 -4.93 135.00 130.55 1p6s s PRO 42 Ca -0.08 1.37 0.17 0.00 0.04 0.00 0.00 61.00 62.49 1p6s s PRO 42 Cb 0.00 -3.49 0.32 0.00 0.04 0.00 0.00 34.50 31.37 1p6s s PRO 42 CO 0.29 -0.14 1.14 0.39 0.04 0.00 0.00 177.00 178.72 1p6s n GLU 43 N 4.29 0.33 -3.53 4.56 -0.58 -1.26 -5.05 120.64 119.40 1p6s n GLU 43 Ca 0.06 -2.00 -0.09 0.00 -0.42 0.00 0.00 57.16 54.72 1p6s n GLU 43 Cb 0.50 -0.46 -0.02 0.00 -0.57 0.00 0.00 31.44 30.89 1p6s n GLU 43 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1p6s s ALA 44 N -0.68 -1.72 0.07 0.62 0.00 -1.26 -4.10 121.76 114.69 1p6s s ALA 44 Ca 0.26 0.72 -0.15 0.00 0.00 0.00 0.00 51.96 52.79 1p6s s ALA 44 Cb 0.29 0.58 -0.18 0.00 0.00 0.00 0.00 23.12 23.81 1p6s s ALA 44 CO -0.10 -0.77 1.25 -1.00 0.00 0.00 0.00 175.76 175.14 1p6s h PRO 45 N 2.00 0.67 0.00 0.00 0.13 -1.98 -3.44 132.00 129.37 1p6s h PRO 45 Ca -0.25 -0.58 0.00 0.00 -0.87 0.00 0.00 66.00 64.30 1p6s h PRO 45 Cb 1.26 0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.52 1p6s h PRO 45 CO 0.32 1.19 0.00 -0.25 -0.23 0.00 0.00 178.00 179.02 1p6s n ASP 46 N -4.05 0.02 -2.66 1.44 9.92 -1.26 -5.02 116.55 114.95 1p6s n ASP 46 Ca -0.08 0.00 -0.02 0.00 -0.53 0.00 0.00 54.79 54.16 1p6s n ASP 46 Cb 0.71 -0.01 0.13 0.00 -0.64 0.00 0.00 41.12 41.31 1p6s n ASP 46 CO 0.00 0.00 0.00 1.67 0.13 0.00 0.00 177.20 179.00 1p6s n GLN 47 N -2.53 1.36 -2.70 -1.24 0.00 -1.26 -4.99 117.38 106.01 1p6s n GLN 47 Ca 0.00 -1.21 -0.26 0.00 -0.00 0.00 0.00 57.00 55.53 1p6s n GLN 47 Cb 0.00 0.42 -0.02 0.00 0.00 0.00 0.00 30.24 30.64 1p6s n GLN 47 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.06 174.69 1p6s n THR 48 N -1.54 2.55 -3.16 1.69 5.66 -1.26 -5.03 114.28 113.18 1p6s n THR 48 Ca -0.18 -5.14 -0.42 0.00 -3.05 0.00 0.00 64.05 55.27 1p6s n THR 48 Cb 0.88 -1.22 -0.07 0.00 -1.55 0.00 0.00 70.33 68.36 1p6s n THR 48 CO 0.00 0.00 0.00 -1.48 -3.05 0.00 0.00 175.07 170.54 1p6s s LEU 49 N -3.46 4.32 0.69 1.09 2.34 -1.26 -4.74 118.68 117.65 1p6s s LEU 49 Ca 0.47 0.02 -0.11 0.00 0.06 0.00 0.00 54.13 54.58 1p6s s LEU 49 Cb 0.35 -2.70 0.00 0.00 -0.56 0.00 0.00 46.19 43.29 1p6s s LEU 49 CO -0.16 -0.57 1.07 -2.16 -1.06 0.00 0.00 176.35 173.48 1p6s s PRO 50 N 2.59 3.02 0.10 1.48 0.04 -1.26 -5.01 135.00 135.95 1p6s s PRO 50 Ca 0.22 0.65 -0.30 0.00 0.04 0.00 0.00 61.00 61.60 1p6s s PRO 50 Cb -0.15 -2.02 -0.06 0.00 0.04 0.00 0.00 34.50 32.31 1p6s s PRO 50 CO 0.15 -0.96 1.19 -1.25 0.04 0.00 0.00 177.00 176.16 1p6s s PRO 51 N -5.23 4.46 -0.17 0.56 0.04 -1.26 -4.97 135.00 128.43 1p6s s PRO 51 Ca 0.57 1.78 -0.14 0.00 0.04 0.00 0.00 61.00 63.26 1p6s s PRO 51 Cb -0.12 -3.32 -0.07 0.00 0.04 0.00 0.00 34.50 31.03 1p6s s PRO 51 CO 0.53 -0.19 -0.17 1.28 0.04 0.00 0.00 177.00 178.49 1p6s n LEU 52 N 3.47 1.86 -4.33 -3.56 4.77 -1.26 -4.93 117.00 113.03 1p6s n LEU 52 Ca 0.07 0.50 -0.33 0.00 -0.03 0.00 0.00 56.01 56.22 1p6s n LEU 52 Cb 0.46 -0.85 -0.15 0.00 -2.33 0.00 0.00 43.42 40.55 1p6s n LEU 52 CO 0.55 -0.21 -0.47 0.21 -1.33 0.00 0.00 177.39 176.14 1p6s s ASN 53 N -6.12 3.78 -0.08 -1.43 3.04 -0.26 -4.98 114.94 108.88 1p6s s ASN 53 Ca -0.23 -0.39 0.04 0.00 0.04 0.00 0.00 52.86 52.32 1p6s s ASN 53 Cb 0.04 -1.57 0.00 0.00 -1.54 0.00 0.00 41.25 38.19 1p6s s ASN 53 CO 0.36 0.15 -0.22 0.21 -3.04 0.00 0.00 177.10 174.56 1p6s s ASN 54 N 0.43 2.79 -0.09 -4.21 3.84 -1.26 -0.08 114.94 116.35 1p6s s ASN 54 Ca -0.12 -0.49 0.03 0.00 0.21 0.00 0.00 52.86 52.49 1p6s s ASN 54 Cb -0.16 -1.15 0.01 0.00 -0.55 0.00 0.00 41.25 39.40 1p6s s ASN 54 CO 0.05 0.15 -0.17 -0.36 -2.79 0.00 0.00 177.10 173.99 1p6s s PHE 55 N 0.28 2.01 -0.24 0.43 0.08 0.20 -4.97 117.98 115.77 1p6s s PHE 55 Ca -0.14 -0.86 -0.09 0.00 0.12 0.00 0.00 56.93 55.96 1p6s s PHE 55 Cb -0.16 -1.41 -0.04 0.00 -0.57 0.00 0.00 43.02 40.83 1p6s s PHE 55 CO 0.07 -0.40 0.11 -1.12 -0.10 0.00 0.00 175.22 173.78 1p6s s SER 56 N 0.69 5.64 -0.42 1.36 0.01 -1.26 0.29 113.70 120.01 1p6s s SER 56 Ca -0.13 -0.03 0.09 0.00 1.31 0.00 0.00 55.95 57.19 1p6s s SER 56 Cb -0.16 -2.01 0.30 0.00 0.21 0.00 0.00 66.02 64.36 1p6s s SER 56 CO 0.03 0.03 0.68 0.55 0.41 0.00 0.00 173.24 174.94 1p6s n VAL 57 N 4.51 0.17 -0.07 3.43 3.14 0.11 -4.93 118.33 124.68 1p6s n VAL 57 Ca -0.16 -4.53 -0.12 0.00 -2.96 0.00 0.00 64.34 56.57 1p6s n VAL 57 Cb 0.52 -1.14 -0.10 0.00 -1.06 0.00 0.00 33.84 32.06 1p6s n VAL 57 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p6s h ALA 58 N 3.45 0.05 -2.17 1.55 0.00 -1.87 -3.41 119.26 116.86 1p6s h ALA 58 Ca 0.10 -0.53 -0.56 0.00 0.00 0.00 0.00 54.91 53.92 1p6s h ALA 58 Cb 0.87 0.15 -0.41 0.00 0.00 0.00 0.00 17.79 18.40 1p6s h ALA 58 CO 0.54 0.14 -0.84 -1.91 0.00 0.00 0.00 179.25 177.19 1p6s n GLU 59 N -4.61 2.29 -4.43 0.00 2.13 -1.26 -4.93 120.64 109.83 1p6s n GLU 59 Ca -0.12 -4.28 -0.22 0.00 0.66 0.00 0.00 57.16 53.20 1p6s n GLU 59 Cb 0.42 -2.01 -0.10 0.00 0.27 0.00 0.00 31.44 30.02 1p6s n GLU 59 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1p6s s GLN 61 N -3.59 3.85 0.07 0.00 -0.44 -1.19 -4.99 119.66 113.38 1p6s s GLN 61 Ca 0.28 0.30 0.04 0.00 -2.50 0.00 0.00 55.36 53.48 1p6s s GLN 61 Cb -0.02 -3.23 -0.04 0.00 -1.64 0.00 0.00 33.01 28.08 1p6s s GLN 61 CO 0.12 0.68 0.02 -1.17 0.50 0.00 0.00 175.29 175.44 1p6s s LEU 62 N -0.96 3.57 -0.03 3.68 1.98 -1.26 -1.72 118.68 123.93 1p6s s LEU 62 Ca 0.22 -0.10 -0.02 0.00 -2.89 0.00 0.00 54.13 51.33 1p6s s LEU 62 Cb -0.16 -2.25 0.01 0.00 0.66 0.00 0.00 46.19 44.46 1p6s s LEU 62 CO 0.11 0.19 0.08 -0.32 -1.89 0.00 0.00 176.35 174.52 1p6s s MET 63 N -2.22 0.07 -0.16 1.98 -2.45 0.47 -4.96 119.30 112.03 1p6s s MET 63 Ca 0.26 0.14 -0.07 0.00 -1.25 0.00 0.00 55.69 54.77 1p6s s MET 63 Cb -0.12 -0.01 -0.04 0.00 1.25 0.00 0.00 34.83 35.91 1p6s s MET 63 CO 0.18 -0.04 0.08 -1.59 1.05 0.00 0.00 175.02 174.70 1p6s s LYS 64 N 0.27 3.80 0.34 4.11 -2.85 -1.26 0.09 119.74 124.23 1p6s s LYS 64 Ca -0.02 -0.28 -0.03 0.00 -1.00 0.00 0.00 55.97 54.64 1p6s s LYS 64 Cb -0.03 -3.20 0.00 0.00 -2.06 0.00 0.00 37.83 32.54 1p6s s LYS 64 CO -0.01 0.43 0.49 -0.08 0.10 0.00 0.00 175.35 176.28 1p6s s THR 65 N -0.07 0.00 -0.13 3.79 -1.32 0.55 -4.96 115.64 113.51 1p6s s THR 65 Ca 0.08 -1.58 0.17 0.00 -1.21 0.00 0.00 61.69 59.15 1p6s s THR 65 Cb -0.12 -2.64 0.42 0.00 -1.51 0.00 0.00 72.50 68.65 1p6s s THR 65 CO 0.01 0.00 1.20 -1.84 -2.21 0.00 0.00 174.62 171.78 1p6s n GLU 66 N -0.56 0.97 -4.43 7.08 0.00 -1.26 -0.07 120.64 122.37 1p6s n GLU 66 Ca 0.01 -2.79 -0.20 0.00 0.00 0.00 0.00 57.16 54.18 1p6s n GLU 66 Cb 0.61 -0.99 -0.15 0.00 0.00 0.00 0.00 31.44 30.92 1p6s n GLU 66 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.13 178.16 1p6s s ARG 67 N -1.98 0.85 0.49 3.44 3.00 -1.26 -3.53 118.95 119.96 1p6s s ARG 67 Ca 0.36 -0.41 0.28 0.00 0.00 0.00 0.00 55.73 55.96 1p6s s ARG 67 Cb 0.38 -0.82 0.89 0.00 0.00 0.00 0.00 34.95 35.40 1p6s s ARG 67 CO -0.11 0.22 1.81 -1.00 0.00 0.00 0.00 175.30 176.22 1p6s h PRO 68 N 5.78 0.00 -6.16 3.54 0.13 -2.01 -3.48 132.00 129.81 1p6s h PRO 68 Ca -0.32 0.00 -0.54 0.00 -0.87 0.00 0.00 66.00 64.27 1p6s h PRO 68 Cb 1.17 0.00 -0.07 0.00 0.13 0.00 0.00 31.00 32.23 1p6s h PRO 68 CO 0.49 0.05 -0.57 1.03 -0.23 0.00 0.00 178.00 178.77 1p6s s ARG 69 N -3.47 2.47 0.78 0.86 1.81 -1.23 -5.11 118.95 115.04 1p6s s ARG 69 Ca 0.03 -1.40 -0.11 0.00 -1.72 0.00 0.00 55.73 52.54 1p6s s ARG 69 Cb 0.08 -2.26 0.06 0.00 -0.45 0.00 0.00 34.95 32.38 1p6s s ARG 69 CO 0.61 0.25 1.10 -1.25 -0.68 0.00 0.00 175.30 175.32 1p6s s PRO 70 N -3.80 2.21 -0.99 3.54 0.04 -1.23 -4.15 135.00 130.61 1p6s s PRO 70 Ca 0.35 1.20 -0.09 0.00 0.04 0.00 0.00 61.00 62.50 1p6s s PRO 70 Cb -0.05 -1.89 -0.03 0.00 0.04 0.00 0.00 34.50 32.57 1p6s s PRO 70 CO 0.22 -1.69 0.82 0.09 0.04 0.00 0.00 177.00 176.49 1p6s n ASN 71 N -3.52 -6.42 -4.40 6.66 3.02 -1.25 -4.75 115.26 104.61 1p6s n ASN 71 Ca 0.09 -0.68 -0.24 0.00 -0.03 0.00 0.00 54.58 53.72 1p6s n ASN 71 Cb 0.53 -4.48 -0.11 0.00 -0.61 0.00 0.00 39.78 35.10 1p6s n ASN 71 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1p6s s THR 72 N -3.30 2.17 0.04 3.41 2.01 0.91 -2.27 115.64 118.60 1p6s s THR 72 Ca 0.34 -2.07 0.07 0.00 0.31 0.00 0.00 61.69 60.34 1p6s s THR 72 Cb -0.08 -2.06 -0.02 0.00 0.01 0.00 0.00 72.50 70.35 1p6s s THR 72 CO 0.79 -0.25 -0.19 -0.36 -0.69 0.00 0.00 174.62 173.91 1p6s s PHE 73 N -1.99 1.70 -0.06 4.92 0.08 0.71 -0.33 117.98 123.01 1p6s s PHE 73 Ca 0.21 -0.36 -0.01 0.00 0.12 0.00 0.00 56.93 56.89 1p6s s PHE 73 Cb -0.06 -1.02 0.03 0.00 -0.57 0.00 0.00 43.02 41.39 1p6s s PHE 73 CO 0.09 0.07 0.00 0.08 -0.10 0.00 0.00 175.22 175.36 1p6s s VAL 74 N -0.76 0.31 -0.22 -0.44 1.01 0.11 -0.75 120.40 119.67 1p6s s VAL 74 Ca 0.06 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.11 1p6s s VAL 74 Cb -0.08 -0.46 -0.02 0.00 0.00 0.00 0.00 36.38 35.82 1p6s s VAL 74 CO 0.01 0.23 -0.00 -0.51 0.00 0.00 0.00 175.10 174.83 1p6s s ILE 75 N 1.72 3.79 -0.17 2.22 2.07 -0.59 -0.39 121.20 129.86 1p6s s ILE 75 Ca 0.01 -0.35 0.01 0.00 -1.41 0.00 0.00 60.65 58.90 1p6s s ILE 75 Cb -0.13 -2.74 0.03 0.00 0.13 0.00 0.00 42.46 39.76 1p6s s ILE 75 CO -0.04 0.40 -0.13 -0.60 -1.91 0.00 0.00 174.94 172.67 1p6s s ARG 76 N 1.35 2.23 0.65 3.50 3.52 -0.70 -4.20 118.95 125.29 1p6s s ARG 76 Ca 0.04 -0.66 -0.11 0.00 -0.13 0.00 0.00 55.73 54.88 1p6s s ARG 76 Cb -0.15 -2.22 -0.02 0.00 -1.56 0.00 0.00 34.95 31.01 1p6s s ARG 76 CO 0.00 -0.30 1.05 0.00 -0.81 0.00 0.00 175.30 175.25 1p6s s LEU 78 N -5.24 4.37 0.31 0.00 0.05 -1.26 -4.74 118.68 112.18 1p6s s LEU 78 Ca 0.56 2.53 0.00 0.00 0.05 0.00 0.00 54.13 57.27 1p6s s LEU 78 Cb -0.11 -3.56 0.00 0.00 -2.05 0.00 0.00 46.19 40.47 1p6s s LEU 78 CO 0.53 -0.91 0.00 0.00 -0.55 0.00 0.00 176.35 175.42 1p6s n GLN 79 N 5.70 0.00 0.00 1.48 6.02 -1.26 -5.12 117.38 124.20 1p6s n GLN 79 Ca 0.16 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 57.15 1p6s n GLN 79 Cb 0.40 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.66 1p6s n GLN 79 CO 0.00 0.00 0.00 0.91 -1.01 0.00 0.00 177.06 176.96 1p6s n TRP 80 N -3.26 0.00 0.17 1.08 7.02 -1.26 -5.12 117.44 116.06 1p6s n TRP 80 Ca 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.48 1p6s n TRP 80 Cb 0.00 0.00 0.00 0.00 -2.42 0.00 0.00 31.31 28.89 1p6s n TRP 80 CO 0.00 0.00 0.00 2.41 -2.02 0.00 0.00 177.69 178.08 1p6s n THR 81 N 0.00 0.00 -2.23 -0.99 -1.04 -1.26 -4.95 114.28 103.81 1p6s n THR 81 Ca 0.00 0.00 -0.31 0.00 -2.04 0.00 0.00 64.05 61.70 1p6s n THR 81 Cb 0.00 -0.24 0.02 0.00 -1.82 0.00 0.00 70.33 68.29 1p6s n THR 81 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1p6s n THR 82 N -3.38 2.80 -2.27 12.58 -2.24 -1.26 -4.83 114.28 115.69 1p6s n THR 82 Ca 0.00 -4.61 -0.39 0.00 -2.27 0.00 0.00 64.05 56.79 1p6s n THR 82 Cb 0.00 -1.25 0.03 0.00 -2.10 0.00 0.00 70.33 67.01 1p6s n THR 82 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1p6s n VAL 83 N -0.53 4.34 -1.74 2.28 3.14 -1.26 -5.03 118.33 119.53 1p6s n VAL 83 Ca 0.45 -5.00 -0.40 0.00 -2.96 0.00 0.00 64.34 56.43 1p6s n VAL 83 Cb 0.56 -1.36 0.03 0.00 -1.06 0.00 0.00 33.84 32.00 1p6s n VAL 83 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1p6s n ILE 84 N -0.35 3.07 -3.65 1.55 3.06 -1.26 -4.89 119.36 116.89 1p6s n ILE 84 Ca 0.49 -0.50 -0.04 0.00 -2.50 0.00 0.00 62.75 60.20 1p6s n ILE 84 Cb 0.28 -1.70 0.02 0.00 0.54 0.00 0.00 39.64 38.78 1p6s n ILE 84 CO 0.00 0.00 0.00 -1.84 -2.50 0.00 0.00 176.55 172.21 1p6s n GLU 85 N -0.40 0.61 -2.92 9.51 0.28 -1.26 -5.06 120.64 121.39 1p6s n GLU 85 Ca 0.07 -1.26 -0.08 0.00 -0.16 0.00 0.00 57.16 55.73 1p6s n GLU 85 Cb 0.42 1.63 0.01 0.00 1.43 0.00 0.00 31.44 34.93 1p6s n GLU 85 CO 0.00 0.00 0.00 -2.13 -0.16 0.00 0.00 177.13 174.84 1p6s n ARG 86 N -0.43 -2.52 -4.67 3.44 0.63 -1.26 -3.40 116.66 108.45 1p6s n ARG 86 Ca -0.04 2.15 -0.33 0.00 -0.92 0.00 0.00 57.85 58.70 1p6s n ARG 86 Cb 0.40 -4.63 -0.12 0.00 0.45 0.00 0.00 32.46 28.56 1p6s n ARG 86 CO 0.00 0.00 0.00 0.95 -2.51 0.00 0.00 177.63 176.07 1p6s s THR 87 N -1.94 3.52 -0.03 5.15 -4.23 -1.26 -1.54 115.64 115.31 1p6s s THR 87 Ca 0.15 -0.54 -0.03 0.00 -1.18 0.00 0.00 61.69 60.09 1p6s s THR 87 Cb -0.03 -2.44 0.01 0.00 1.34 0.00 0.00 72.50 71.37 1p6s s THR 87 CO 0.71 0.58 0.09 0.72 -0.54 0.00 0.00 174.62 176.17 1p6s s PHE 88 N -0.53 -0.06 0.15 3.99 -0.12 0.07 -4.74 117.98 116.74 1p6s s PHE 88 Ca 0.08 0.15 0.05 0.00 -0.05 0.00 0.00 56.93 57.15 1p6s s PHE 88 Cb -0.12 0.01 -0.04 0.00 -0.63 0.00 0.00 43.02 42.24 1p6s s PHE 88 CO 0.02 -0.08 0.11 -1.01 -0.05 0.00 0.00 175.22 174.21 1p6s s HIS 89 N -0.21 3.13 0.22 3.49 3.76 -0.19 -0.21 115.29 125.28 1p6s s HIS 89 Ca -0.03 -0.01 0.07 0.00 -0.15 0.00 0.00 55.06 54.94 1p6s s HIS 89 Cb -0.02 -1.52 -0.04 0.00 1.11 0.00 0.00 32.58 32.11 1p6s s HIS 89 CO 0.00 0.52 0.15 0.14 -0.85 0.00 0.00 174.74 174.70 1p6s s VAL 90 N -1.67 4.31 0.04 -0.90 -7.23 -0.96 0.55 120.40 114.54 1p6s s VAL 90 Ca 0.30 -1.36 0.21 0.00 -1.81 0.00 0.00 61.98 59.32 1p6s s VAL 90 Cb -0.10 -3.28 0.17 0.00 0.56 0.00 0.00 36.38 33.73 1p6s s VAL 90 CO 0.23 -0.26 1.70 -0.78 -0.31 0.00 0.00 175.10 175.67 1p6s h ASP 91 N 1.89 0.00 -5.19 4.85 1.82 -1.89 -3.43 116.42 114.47 1p6s h ASP 91 Ca -0.48 0.00 -0.09 0.00 -0.39 0.00 0.00 57.03 56.07 1p6s h ASP 91 Cb 1.23 0.00 -0.14 0.00 0.68 0.00 0.00 39.33 41.10 1p6s h ASP 91 CO 0.61 0.32 -0.41 -0.44 -1.61 0.00 0.00 179.24 177.71 1p6s s SER 92 N -6.31 0.16 0.19 2.28 0.01 -1.26 -5.03 113.70 103.73 1p6s s SER 92 Ca 0.02 -0.74 -0.06 0.00 1.31 0.00 0.00 55.95 56.48 1p6s s SER 92 Cb 0.09 0.33 0.11 0.00 0.21 0.00 0.00 66.02 66.77 1p6s s SER 92 CO 0.68 -0.74 1.58 1.55 0.41 0.00 0.00 173.24 176.72 1p6s h PRO 93 N 2.77 0.83 -0.50 12.44 0.13 -1.94 -2.30 132.00 143.43 1p6s h PRO 93 Ca -0.34 -0.37 -0.03 0.00 -0.87 0.00 0.00 66.00 64.40 1p6s h PRO 93 Cb 1.20 -0.02 -0.02 0.00 0.13 0.00 0.00 31.00 32.28 1p6s h PRO 93 CO 0.56 1.00 0.19 -0.44 -0.23 0.00 0.00 178.00 179.08 1p6s h ASP 94 N 0.71 0.65 -0.32 1.44 5.19 -2.00 -2.21 116.42 119.88 1p6s h ASP 94 Ca 0.09 -0.08 -0.03 0.00 -0.62 0.00 0.00 57.03 56.39 1p6s h ASP 94 Cb 0.81 -0.17 -0.01 0.00 0.18 0.00 0.00 39.33 40.14 1p6s h ASP 94 CO 0.07 0.60 0.09 -0.33 -3.12 0.00 0.00 179.24 176.54 1p6s h GLU 95 N 0.71 0.51 -0.93 3.56 3.07 -1.87 -2.02 114.58 117.63 1p6s h GLU 95 Ca 0.17 -0.12 0.11 0.00 -0.50 0.00 0.00 59.36 59.02 1p6s h GLU 95 Cb 0.16 -0.07 -0.08 0.00 -0.84 0.00 0.00 28.75 27.92 1p6s h GLU 95 CO -0.01 0.57 0.56 -0.09 -1.40 0.00 0.00 179.01 178.64 1p6s h ARG 96 N 0.37 0.87 -0.42 2.33 2.43 -0.87 0.55 114.38 119.64 1p6s h ARG 96 Ca 0.10 -0.05 -0.11 0.00 -0.81 0.00 0.00 59.98 59.11 1p6s h ARG 96 Cb 0.28 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.62 1p6s h ARG 96 CO -0.00 0.58 -0.16 0.93 -1.51 0.00 0.00 179.97 179.81 1p6s h GLU 97 N 0.90 0.80 -0.32 0.20 4.39 -1.14 -2.59 114.58 116.82 1p6s h GLU 97 Ca 0.46 -0.29 -0.12 0.00 0.34 0.00 0.00 59.36 59.74 1p6s h GLU 97 Cb 0.44 -0.05 -0.01 0.00 -0.10 0.00 0.00 28.75 29.03 1p6s h GLU 97 CO -0.26 0.91 -0.30 1.49 -1.16 0.00 0.00 179.01 179.68 1p6s h GLU 98 N 0.71 0.67 -0.48 2.33 4.81 -0.37 -2.60 114.58 119.65 1p6s h GLU 98 Ca 0.11 -0.29 -0.02 0.00 -0.13 0.00 0.00 59.36 59.03 1p6s h GLU 98 Cb 0.66 -0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.00 1p6s h GLU 98 CO 0.05 0.89 0.23 -1.49 -0.73 0.00 0.00 179.01 177.95 1p6s h TRP 99 N 0.57 0.70 -0.13 0.92 -0.00 -0.74 0.41 115.95 117.68 1p6s h TRP 99 Ca 0.07 -0.04 0.01 0.00 -0.00 0.00 0.00 58.89 58.93 1p6s h TRP 99 Cb 0.80 -0.22 -0.01 0.00 -0.00 0.00 0.00 29.16 29.73 1p6s h TRP 99 CO 0.04 0.56 0.04 1.98 -0.00 0.00 0.00 178.44 181.05 1p6s h MET 100 N 0.64 0.10 -0.59 0.49 4.05 -1.34 0.34 114.93 118.61 1p6s h MET 100 Ca 0.17 -0.01 -0.07 0.00 -0.28 0.00 0.00 59.70 59.51 1p6s h MET 100 Cb 0.12 -0.02 -0.02 0.00 -0.80 0.00 0.00 31.60 30.88 1p6s h MET 100 CO -0.02 0.07 0.07 0.00 0.23 0.00 0.00 176.91 177.26 1p6s h ARG 101 N 0.10 0.96 -0.42 0.39 2.47 -1.21 -2.68 114.38 114.00 1p6s h ARG 101 Ca 0.06 -0.25 -0.06 0.00 -1.26 0.00 0.00 59.98 58.46 1p6s h ARG 101 Cb 0.03 -0.12 -0.02 0.00 -1.65 0.00 0.00 29.97 28.22 1p6s h ARG 101 CO -0.06 0.91 0.01 0.00 0.56 0.00 0.00 179.97 181.38 1p6s h ALA 102 N 1.17 0.56 -0.84 0.04 0.00 0.36 -2.02 119.26 118.53 1p6s h ALA 102 Ca 0.18 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1p6s h ALA 102 Cb 0.43 -0.15 -0.05 0.00 0.00 0.00 0.00 17.79 18.01 1p6s h ALA 102 CO 0.01 0.34 0.53 0.82 0.00 0.00 0.00 179.25 180.95 1p6s h ILE 103 N 0.57 1.10 -0.54 0.00 2.04 -0.16 -0.43 117.51 120.09 1p6s h ILE 103 Ca 0.12 -0.35 -0.12 0.00 1.00 0.00 0.00 64.86 65.52 1p6s h ILE 103 Cb 0.47 -0.00 -0.02 0.00 -0.74 0.00 0.00 36.82 36.53 1p6s h ILE 103 CO 0.02 0.18 -0.12 -0.61 0.00 0.00 0.00 178.15 177.63 1p6s h GLN 104 N 1.01 1.02 -0.68 2.37 -0.00 -1.32 -2.24 115.11 115.27 1p6s h GLN 104 Ca 0.35 -0.38 -0.05 0.00 -0.00 0.00 0.00 58.65 58.56 1p6s h GLN 104 Cb 0.06 -0.06 -0.03 0.00 0.00 0.00 0.00 27.48 27.45 1p6s h GLN 104 CO -0.13 1.07 0.22 1.98 0.00 0.00 0.00 178.83 181.97 1p6s h MET 105 N 0.91 1.04 -0.51 1.69 4.05 -0.62 -2.33 114.93 119.17 1p6s h MET 105 Ca 0.14 -0.21 -0.06 0.00 -0.28 0.00 0.00 59.70 59.29 1p6s h MET 105 Cb 0.69 -0.16 -0.02 0.00 -0.80 0.00 0.00 31.60 31.31 1p6s h MET 105 CO 0.05 0.89 0.08 0.28 0.23 0.00 0.00 176.91 178.44 1p6s h VAL 106 N 1.01 1.25 -0.13 -5.77 2.07 -0.92 -2.59 116.25 111.17 1p6s h VAL 106 Ca 0.22 -0.94 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 1p6s h VAL 106 Cb 0.27 0.88 -0.01 0.00 -1.52 0.00 0.00 31.29 30.92 1p6s h VAL 106 CO -0.01 0.33 0.03 0.00 0.02 0.00 0.00 177.57 177.95 1p6s h ALA 107 N 0.97 1.82 -0.60 1.67 0.00 -1.07 0.40 119.26 122.45 1p6s h ALA 107 Ca 0.15 -0.06 0.03 0.00 0.00 0.00 0.00 54.91 55.03 1p6s h ALA 107 Cb 0.40 -0.06 -0.04 0.00 0.00 0.00 0.00 17.79 18.09 1p6s h ALA 107 CO 0.01 0.15 0.37 -0.91 0.00 0.00 0.00 179.25 178.87 1p6s h ASN 108 N 0.18 0.61 0.30 0.00 2.35 -1.01 0.71 115.58 118.71 1p6s h ASN 108 Ca 0.05 0.00 -0.33 0.00 -0.55 0.00 0.00 56.30 55.46 1p6s h ASN 108 Cb 0.07 -0.13 -0.00 0.00 0.05 0.00 0.00 38.32 38.32 1p6s h ASN 108 CO -0.00 0.42 -1.69 -1.28 -1.65 0.00 0.00 177.43 173.24 1p6s h SER 109 N 0.73 0.50 -0.65 5.81 0.87 -1.45 -3.34 113.55 116.02 1p6s h SER 109 Ca 0.24 -0.76 -0.02 0.00 -1.23 0.00 0.00 61.79 60.03 1p6s h SER 109 Cb 0.02 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 61.78 1p6s h SER 109 CO -0.10 1.64 0.34 0.25 -0.53 0.00 0.00 176.83 178.44 1p6s h LEU 110 N 0.09 0.83 0.00 2.23 7.12 -0.03 -3.49 115.31 122.06 1p6s h LEU 110 Ca -0.31 -0.11 0.00 0.00 0.13 0.00 0.00 57.88 57.59 1p6s h LEU 110 Cb 2.06 -0.21 0.00 0.00 -0.53 0.00 0.00 40.66 41.98 1p6s h LEU 110 CO 0.16 0.70 0.00 0.29 -0.13 0.00 0.00 178.44 179.46