#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1p6s n ASN 2 N 0.00 -1.61 -2.23 6.12 0.23 -1.26 -4.98 115.26 111.53 1p6s n ASN 2 Ca 0.00 -2.37 -0.17 0.00 -0.53 0.00 0.00 54.58 51.52 1p6s n ASN 2 Cb 0.00 0.83 0.03 0.00 -2.08 0.00 0.00 39.78 38.56 1p6s n ASN 2 CO 0.00 0.00 0.00 -1.84 -0.93 0.00 0.00 177.26 174.49 1p6s n GLU 3 N -0.95 3.04 -3.04 -3.83 0.28 -1.26 -5.05 120.64 109.83 1p6s n GLU 3 Ca -0.08 -3.96 -0.40 0.00 -0.16 0.00 0.00 57.16 52.56 1p6s n GLU 3 Cb 0.86 -2.07 -0.05 0.00 1.43 0.00 0.00 31.44 31.61 1p6s n GLU 3 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1p6s s VAL 4 N -4.34 5.03 0.52 3.84 1.01 -1.26 -5.06 120.40 120.13 1p6s s VAL 4 Ca 0.44 1.42 0.08 0.00 0.00 0.00 0.00 61.98 63.92 1p6s s VAL 4 Cb 0.38 -4.03 0.05 0.00 0.00 0.00 0.00 36.38 32.78 1p6s s VAL 4 CO 0.01 0.21 0.63 -0.44 0.00 0.00 0.00 175.10 175.51 1p6s s SER 5 N 0.88 5.13 0.09 3.32 0.01 -1.26 -4.80 113.70 117.07 1p6s s SER 5 Ca 0.36 -0.81 -0.25 0.00 1.31 0.00 0.00 55.95 56.56 1p6s s SER 5 Cb -0.17 0.01 -0.06 0.00 0.21 0.00 0.00 66.02 66.00 1p6s s SER 5 CO 0.16 -1.09 0.78 -0.69 0.41 0.00 0.00 173.24 172.81 1p6s s VAL 6 N -2.59 4.61 -0.19 3.43 1.01 -1.26 0.38 120.40 125.77 1p6s s VAL 6 Ca 0.54 1.69 -0.22 0.00 0.00 0.00 0.00 61.98 63.99 1p6s s VAL 6 Cb -0.06 -4.14 -0.21 0.00 0.00 0.00 0.00 36.38 31.98 1p6s s VAL 6 CO 0.33 0.41 0.32 0.40 0.00 0.00 0.00 175.10 176.56 1p6s h ILE 7 N 3.88 1.05 -2.73 2.22 1.08 -0.15 -3.45 117.51 119.41 1p6s h ILE 7 Ca -0.45 -2.22 -0.12 0.00 -0.39 0.00 0.00 64.86 61.68 1p6s h ILE 7 Cb 1.21 2.43 -0.24 0.00 -3.07 0.00 0.00 36.82 37.14 1p6s h ILE 7 CO 0.69 0.38 -0.25 -0.75 -0.69 0.00 0.00 178.15 177.54 1p6s s LYS 8 N -2.35 0.46 0.00 2.37 2.20 -1.04 -5.00 119.74 116.39 1p6s s LYS 8 Ca -0.27 0.60 0.04 0.00 -0.36 0.00 0.00 55.97 55.98 1p6s s LYS 8 Cb 0.04 0.19 -0.01 0.00 -1.51 0.00 0.00 37.83 36.54 1p6s s LYS 8 CO 0.62 -0.07 -0.13 -1.83 -0.36 0.00 0.00 175.35 173.57 1p6s s GLU 9 N 0.40 1.01 0.13 4.03 -1.05 -1.26 0.36 118.70 122.32 1p6s s GLU 9 Ca -0.02 -0.52 -0.26 0.00 -0.15 0.00 0.00 54.97 54.03 1p6s s GLU 9 Cb -0.04 -0.98 0.07 0.00 -0.44 0.00 0.00 34.13 32.74 1p6s s GLU 9 CO -0.02 0.26 0.97 0.20 0.95 0.00 0.00 175.26 177.63 1p6s s GLY 10 N -0.49 -0.26 0.07 -3.83 0.00 0.84 -4.98 107.32 98.68 1p6s s GLY 10 Ca 0.04 0.23 -0.22 0.00 0.00 0.00 0.00 44.72 44.77 1p6s s GLY 10 CO -0.00 0.04 0.66 -0.98 0.00 0.00 0.00 173.10 172.81 1p6s s TRP 11 N -3.23 3.79 0.08 1.90 0.52 -1.26 -0.09 118.94 120.66 1p6s s TRP 11 Ca 0.12 1.38 0.05 0.00 0.02 0.00 0.00 56.10 57.67 1p6s s TRP 11 Cb -0.01 -2.64 -0.03 0.00 -1.15 0.00 0.00 33.47 29.63 1p6s s TRP 11 CO 0.01 0.46 -0.13 -0.51 0.02 0.00 0.00 176.95 176.81 1p6s s LEU 12 N -0.74 2.33 -0.24 2.99 1.43 0.50 -4.09 118.68 120.86 1p6s s LEU 12 Ca 0.33 -0.69 -0.12 0.00 -1.03 0.00 0.00 54.13 52.61 1p6s s LEU 12 Cb -0.20 -0.44 -0.05 0.00 0.03 0.00 0.00 46.19 45.53 1p6s s LEU 12 CO 0.21 -0.14 0.25 -1.00 0.23 0.00 0.00 176.35 175.90 1p6s s HIS 13 N -1.72 3.30 -0.04 0.29 3.76 0.20 0.43 115.29 121.52 1p6s s HIS 13 Ca 0.01 0.32 0.05 0.00 -0.15 0.00 0.00 55.06 55.30 1p6s s HIS 13 Cb -0.07 -2.40 -0.01 0.00 1.11 0.00 0.00 32.58 31.21 1p6s s HIS 13 CO 0.02 -0.04 -0.20 0.21 -0.85 0.00 0.00 174.74 173.87 1p6s s LYS 14 N 1.41 1.89 0.52 1.40 2.20 -0.07 -0.03 119.74 127.06 1p6s s LYS 14 Ca 0.11 -0.72 -0.22 0.00 -0.36 0.00 0.00 55.97 54.78 1p6s s LYS 14 Cb -0.15 -1.70 -0.06 0.00 -1.51 0.00 0.00 37.83 34.42 1p6s s LYS 14 CO 0.07 0.35 1.28 0.50 -0.36 0.00 0.00 175.35 177.19 1p6s s ARG 15 N -0.21 3.37 0.00 4.03 3.52 -1.26 -0.17 118.95 128.23 1p6s s ARG 15 Ca 0.01 2.04 0.00 0.00 -0.13 0.00 0.00 55.73 57.65 1p6s s ARG 15 Cb -0.11 -2.30 0.00 0.00 -1.56 0.00 0.00 34.95 30.98 1p6s s ARG 15 CO 0.01 -0.95 0.00 0.41 -0.81 0.00 0.00 175.30 173.96 1p6s n GLY 16 N 0.61 1.63 0.77 8.12 0.00 -0.68 -4.83 105.19 110.81 1p6s n GLY 16 Ca 0.09 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.11 1p6s n GLY 16 CO 0.00 0.00 0.00 -2.21 0.00 0.00 0.00 173.32 171.11 1p6s n GLU 17 N 0.00 0.00 0.00 1.61 4.07 -1.26 -4.95 120.64 120.11 1p6s n GLU 17 Ca 0.00 0.00 0.10 0.00 -0.06 0.00 0.00 57.16 57.20 1p6s n GLU 17 Cb 0.00 0.00 -0.07 0.00 -0.06 0.00 0.00 31.44 31.31 1p6s n GLU 17 CO 0.00 0.00 0.00 2.48 -0.06 0.00 0.00 177.13 179.55 1p6s n TYR 18 N -1.58 0.00 0.34 4.31 0.18 -1.26 -4.25 117.16 114.90 1p6s n TYR 18 Ca 0.00 0.00 0.14 0.00 1.88 0.00 0.00 57.90 59.92 1p6s n TYR 18 Cb 0.00 0.00 0.51 0.00 -0.38 0.00 0.00 39.34 39.47 1p6s n TYR 18 CO 0.00 0.00 0.00 0.97 -2.08 0.00 0.00 176.86 175.75 1p6s h ILE 19 N 1.05 0.00 -5.94 -3.48 2.10 -2.01 -3.47 117.51 105.77 1p6s h ILE 19 Ca 0.00 -0.52 -0.41 0.00 1.08 0.00 0.00 64.86 65.01 1p6s h ILE 19 Cb 0.61 1.45 0.10 0.00 -1.09 0.00 0.00 36.82 37.89 1p6s h ILE 19 CO 0.00 0.00 -0.71 1.17 -1.08 0.00 0.00 178.15 177.53 1p6s n LYS 20 N -2.77 -7.17 -3.86 2.19 4.81 -1.26 -4.99 118.16 105.11 1p6s n LYS 20 Ca 0.02 0.77 -0.09 0.00 -0.87 0.00 0.00 58.31 58.14 1p6s n LYS 20 Cb 0.34 -5.77 -0.07 0.00 0.02 0.00 0.00 35.03 29.55 1p6s n LYS 20 CO 0.00 0.00 0.00 0.99 1.17 0.00 0.00 177.40 179.56 1p6s s THR 21 N -3.34 0.14 -0.21 3.15 2.01 -1.26 -5.04 115.64 111.09 1p6s s THR 21 Ca 0.51 -1.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.27 1p6s s THR 21 Cb -0.23 -1.28 -0.05 0.00 0.01 0.00 0.00 72.50 70.95 1p6s s THR 21 CO 0.76 -0.64 0.12 0.26 -0.69 0.00 0.00 174.62 174.43 1p6s s TRP 22 N -3.68 3.31 -0.12 4.92 0.52 -1.26 -1.69 118.94 120.94 1p6s s TRP 22 Ca 0.04 0.17 -0.03 0.00 0.02 0.00 0.00 56.10 56.29 1p6s s TRP 22 Cb 0.04 -2.18 -0.03 0.00 -1.15 0.00 0.00 33.47 30.15 1p6s s TRP 22 CO -0.10 0.13 -0.01 1.03 0.02 0.00 0.00 176.95 178.02 1p6s s ARG 23 N 0.69 3.37 0.19 4.98 1.81 0.76 -4.75 118.95 126.00 1p6s s ARG 23 Ca 0.06 -0.45 -0.30 0.00 -1.72 0.00 0.00 55.73 53.33 1p6s s ARG 23 Cb -0.13 -2.89 -0.08 0.00 -0.45 0.00 0.00 34.95 31.40 1p6s s ARG 23 CO 0.01 0.47 1.22 -1.25 -0.68 0.00 0.00 175.30 175.07 1p6s s PRO 24 N -0.24 4.47 0.01 3.54 0.04 -1.26 -0.89 135.00 140.67 1p6s s PRO 24 Ca 0.05 1.91 -0.00 0.00 0.04 0.00 0.00 61.00 63.00 1p6s s PRO 24 Cb -0.12 -3.23 -0.01 0.00 0.04 0.00 0.00 34.50 31.18 1p6s s PRO 24 CO 0.02 -0.11 -0.01 1.03 0.04 0.00 0.00 177.00 177.97 1p6s s ARG 25 N -0.26 0.15 -0.50 4.56 0.52 0.17 -4.92 118.95 118.67 1p6s s ARG 25 Ca 0.53 -0.28 -0.28 0.00 -0.52 0.00 0.00 55.73 55.19 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 0.37 -0.02 1.61 -0.47 0.02 0.00 0.00 175.30 176.81 1p6s s TYR 26 N -0.68 2.04 -0.02 -0.53 5.04 -0.27 -0.37 117.35 122.55 1p6s s TYR 26 Ca -0.07 0.61 0.00 0.00 -2.44 0.00 0.00 57.07 55.17 1p6s s TYR 26 Cb -0.05 -4.25 -0.04 0.00 0.35 0.00 0.00 41.96 37.98 1p6s s TYR 26 CO -0.00 -2.28 0.01 -0.06 -1.34 0.00 0.00 175.55 171.88 1p6s s PHE 27 N 6.89 3.12 -0.04 4.97 0.08 0.88 0.10 117.98 133.98 1p6s s PHE 27 Ca 0.63 0.12 -0.04 0.00 0.12 0.00 0.00 56.93 57.77 1p6s s PHE 27 Cb -0.14 -1.70 0.01 0.00 -0.57 0.00 0.00 43.02 40.62 1p6s s PHE 27 CO 0.27 0.47 0.12 -0.48 -0.10 0.00 0.00 175.22 175.50 1p6s s LEU 28 N -1.43 1.49 -0.17 -0.37 2.34 0.81 -0.12 118.68 121.23 1p6s s LEU 28 Ca 0.18 0.23 -0.10 0.00 0.06 0.00 0.00 54.13 54.50 1p6s s LEU 28 Cb -0.12 0.38 -0.05 0.00 -0.56 0.00 0.00 46.19 45.85 1p6s s LEU 28 CO 0.09 -0.05 0.17 -0.22 -1.06 0.00 0.00 176.35 175.28 1p6s s LEU 29 N 0.17 4.25 0.46 1.48 2.96 0.16 0.05 118.68 128.22 1p6s s LEU 29 Ca -0.01 0.35 0.07 0.00 -0.22 0.00 0.00 54.13 54.32 1p6s s LEU 29 Cb -0.02 -2.16 0.02 0.00 0.50 0.00 0.00 46.19 44.54 1p6s s LEU 29 CO -0.00 0.20 0.63 -0.54 -1.32 0.00 0.00 176.35 175.32 1p6s s LYS 30 N 0.11 2.70 0.00 1.98 1.02 -0.09 0.53 119.74 126.00 1p6s s LYS 30 Ca 0.11 -1.22 0.20 0.00 0.02 0.00 0.00 55.97 55.08 1p6s s LYS 30 Cb -0.12 -2.70 0.96 0.00 -0.52 0.00 0.00 37.83 35.45 1p6s s LYS 30 CO 0.01 -0.43 1.62 0.45 -0.92 0.00 0.00 175.35 176.08 1p6s n SER 31 N -1.99 0.00 0.02 2.83 2.88 0.16 -2.57 113.62 114.95 1p6s n SER 31 Ca 0.09 0.14 0.13 0.00 -1.33 0.00 0.00 58.87 57.90 1p6s n SER 31 Cb 0.59 -0.35 0.40 0.00 -0.75 0.00 0.00 64.21 64.11 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 -1.35 0.37 -0.13 -3.46 2.03 -1.26 -4.91 116.55 107.83 1p6s n ASP 32 Ca 0.08 0.20 0.00 0.00 0.52 0.00 0.00 54.79 55.59 1p6s n ASP 32 Cb 0.18 -0.18 0.00 0.00 -0.72 0.00 0.00 41.12 40.40 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 1.45 1.07 3.12 0.27 0.00 -1.06 -4.83 105.19 105.22 1p6s n GLY 33 Ca 0.06 -0.23 -0.15 0.00 0.00 0.00 0.00 46.02 45.69 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 -2.32 1.28 -0.19 1.61 1.04 -1.26 -0.29 113.70 113.57 1p6s s SER 34 Ca 0.00 -0.62 -0.02 0.00 0.48 0.00 0.00 55.95 55.79 1p6s s SER 34 Cb 0.00 -0.00 -0.01 0.00 0.10 0.00 0.00 66.02 66.11 1p6s s SER 34 CO 0.00 -0.16 -0.08 0.12 0.98 0.00 0.00 173.24 174.10 1p6s s PHE 35 N -1.49 2.91 -0.22 5.02 2.19 0.13 -0.92 117.98 125.60 1p6s s PHE 35 Ca -0.04 -0.91 -0.08 0.00 0.33 0.00 0.00 56.93 56.22 1p6s s PHE 35 Cb -0.09 -2.02 -0.04 0.00 -1.31 0.00 0.00 43.02 39.56 1p6s s PHE 35 CO 0.01 -0.47 0.09 0.42 1.83 0.00 0.00 175.22 177.10 1p6s s ILE 36 N 1.15 4.77 -0.18 3.12 -1.09 0.11 0.80 121.20 129.87 1p6s s ILE 36 Ca 0.01 -0.03 -0.03 0.00 -2.23 0.00 0.00 60.65 58.38 1p6s s ILE 36 Cb -0.14 -3.20 -0.01 0.00 -1.58 0.00 0.00 42.46 37.52 1p6s s ILE 36 CO -0.02 0.38 -0.07 -0.83 -1.23 0.00 0.00 174.94 173.17 1p6s s GLY 37 N 1.05 1.61 0.25 6.18 0.00 0.21 -0.14 107.32 116.48 1p6s s GLY 37 Ca 0.05 -1.01 0.10 0.00 0.00 0.00 0.00 44.72 43.85 1p6s s GLY 37 CO 0.04 0.14 -0.05 -0.19 0.00 0.00 0.00 173.10 173.03 1p6s s TYR 38 N 0.91 2.62 -0.03 1.90 1.51 0.12 -0.95 117.35 123.43 1p6s s TYR 38 Ca -0.01 -0.24 -0.21 0.00 -1.01 0.00 0.00 57.07 55.60 1p6s s TYR 38 Cb -0.15 -1.19 -0.32 0.00 -0.11 0.00 0.00 41.96 40.20 1p6s s TYR 38 CO 0.01 0.61 0.93 -0.22 -1.11 0.00 0.00 175.55 175.76 1p6s h LYS 39 N 2.19 0.36 0.00 -0.62 3.64 -1.92 -0.71 116.57 119.51 1p6s h LYS 39 Ca -0.44 -0.60 0.00 0.00 -1.27 0.00 0.00 60.65 58.34 1p6s h LYS 39 Cb 1.24 0.22 0.00 0.00 -0.41 0.00 0.00 32.23 33.28 1p6s h LYS 39 CO 0.59 1.28 0.00 -1.91 -2.27 0.00 0.00 179.45 177.14 1p6s n GLU 40 N -4.05 3.17 -3.13 1.90 2.13 -1.26 -4.42 120.64 114.98 1p6s n GLU 40 Ca -0.14 0.00 -0.28 0.00 0.66 0.00 0.00 57.16 57.39 1p6s n GLU 40 Cb 0.87 0.00 -0.05 0.00 0.27 0.00 0.00 31.44 32.53 1p6s n GLU 40 CO 0.00 0.00 0.00 0.54 -0.41 0.00 0.00 177.13 177.26 1p6s n ARG 41 N 0.00 3.12 -2.46 5.31 5.12 -1.26 -4.46 116.66 122.02 1p6s n ARG 41 Ca 0.00 -4.77 -0.34 0.00 -1.93 0.00 0.00 57.85 50.81 1p6s n ARG 41 Cb 0.00 -2.27 -0.02 0.00 -1.16 0.00 0.00 32.46 29.00 1p6s n ARG 41 CO 0.00 0.00 0.00 -1.25 -1.93 0.00 0.00 177.63 174.45 1p6s s PRO 42 N -3.08 3.67 0.00 5.56 0.04 -1.26 -4.97 135.00 134.97 1p6s s PRO 42 Ca 0.44 1.43 0.00 0.00 0.04 0.00 0.00 61.00 62.91 1p6s s PRO 42 Cb 0.21 -2.07 0.00 0.00 0.04 0.00 0.00 34.50 32.68 1p6s s PRO 42 CO -0.07 -0.55 0.00 0.39 0.04 0.00 0.00 177.00 176.81 1p6s n GLU 43 N -1.07 0.00 -0.89 4.56 1.02 -1.26 -5.07 120.64 117.92 1p6s n GLU 43 Ca 0.10 0.00 0.11 0.00 -0.02 0.00 0.00 57.16 57.35 1p6s n GLU 43 Cb 0.52 -0.44 -0.04 0.00 -0.02 0.00 0.00 31.44 31.46 1p6s n GLU 43 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1p6s n ALA 44 N -2.16 -2.33 -0.02 0.62 0.00 -1.26 -4.64 120.51 110.71 1p6s n ALA 44 Ca 0.00 0.44 -0.16 0.00 0.00 0.00 0.00 53.44 53.72 1p6s n ALA 44 Cb 0.15 -0.90 -0.10 0.00 0.00 0.00 0.00 19.45 18.60 1p6s n ALA 44 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1p6s h PRO 45 N -0.86 0.34 0.00 0.00 0.13 -2.02 -3.45 132.00 126.14 1p6s h PRO 45 Ca -0.06 -0.31 0.00 0.00 -0.87 0.00 0.00 66.00 64.77 1p6s h PRO 45 Cb 0.84 0.07 0.00 0.00 0.13 0.00 0.00 31.00 32.04 1p6s h PRO 45 CO 0.03 0.97 0.00 -0.25 -0.23 0.00 0.00 178.00 178.52 1p6s n ASP 46 N -4.38 0.00 -2.47 1.44 9.92 -1.26 -5.04 116.55 114.76 1p6s n ASP 46 Ca -0.09 0.00 -0.04 0.00 -0.53 0.00 0.00 54.79 54.13 1p6s n ASP 46 Cb 0.55 -0.05 0.07 0.00 -0.64 0.00 0.00 41.12 41.05 1p6s n ASP 46 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1p6s n GLN 47 N -1.92 0.76 -2.23 -1.24 1.13 -1.26 -5.02 117.38 107.60 1p6s n GLN 47 Ca 0.00 -1.04 -0.40 0.00 -1.94 0.00 0.00 57.00 53.61 1p6s n GLN 47 Cb 0.00 0.10 0.03 0.00 0.11 0.00 0.00 30.24 30.48 1p6s n GLN 47 CO 0.00 0.00 0.00 -2.37 -1.44 0.00 0.00 177.06 173.25 1p6s n THR 48 N -0.72 4.68 -4.31 5.09 5.66 -1.26 -4.96 114.28 118.45 1p6s n THR 48 Ca -0.13 -5.03 -0.34 0.00 -3.05 0.00 0.00 64.05 55.50 1p6s n THR 48 Cb 0.74 -1.37 -0.12 0.00 -1.55 0.00 0.00 70.33 68.03 1p6s n THR 48 CO 0.00 0.00 0.00 -0.76 -3.05 0.00 0.00 175.07 171.26 1p6s s LEU 49 N -4.19 3.38 -0.21 1.09 1.43 -1.26 -4.96 118.68 113.97 1p6s s LEU 49 Ca 0.46 -0.08 -0.27 0.00 -1.03 0.00 0.00 54.13 53.22 1p6s s LEU 49 Cb 0.33 -1.82 -0.00 0.00 0.03 0.00 0.00 46.19 44.73 1p6s s LEU 49 CO -0.29 0.17 0.93 -2.16 0.23 0.00 0.00 176.35 175.23 1p6s s PRO 50 N 0.35 4.26 0.35 1.29 0.04 -1.26 -5.02 135.00 135.01 1p6s s PRO 50 Ca -0.03 1.17 -0.27 0.00 0.04 0.00 0.00 61.00 61.92 1p6s s PRO 50 Cb -0.14 -3.62 -0.09 0.00 0.04 0.00 0.00 34.50 30.69 1p6s s PRO 50 CO 0.02 -0.50 1.20 -1.25 0.04 0.00 0.00 177.00 176.51 1p6s s PRO 51 N 2.76 4.28 -0.22 0.56 0.04 -1.26 -4.98 135.00 136.19 1p6s s PRO 51 Ca 0.41 1.97 -0.17 0.00 0.04 0.00 0.00 61.00 63.24 1p6s s PRO 51 Cb -0.16 -2.93 -0.13 0.00 0.04 0.00 0.00 34.50 31.32 1p6s s PRO 51 CO 0.09 -0.16 -0.06 1.28 0.04 0.00 0.00 177.00 178.19 1p6s n LEU 52 N 0.57 1.89 -3.80 -3.56 7.99 -1.19 -4.97 117.00 113.93 1p6s n LEU 52 Ca 0.02 0.43 -0.15 0.00 -0.01 0.00 0.00 56.01 56.29 1p6s n LEU 52 Cb 0.44 -0.89 -0.16 0.00 -0.11 0.00 0.00 43.42 42.70 1p6s n LEU 52 CO 0.54 0.19 -0.36 0.21 -1.51 0.00 0.00 177.39 176.47 1p6s s ASN 53 N -6.78 0.19 -0.03 -1.43 3.84 -0.12 -5.02 114.94 105.58 1p6s s ASN 53 Ca -0.29 0.01 0.06 0.00 0.21 0.00 0.00 52.86 52.85 1p6s s ASN 53 Cb 0.08 -0.11 -0.02 0.00 -0.55 0.00 0.00 41.25 40.64 1p6s s ASN 53 CO 0.49 -0.11 -0.21 0.20 -2.79 0.00 0.00 177.10 174.69 1p6s s ASN 54 N 0.94 3.50 0.13 -4.21 -0.87 -1.26 0.63 114.94 113.80 1p6s s ASN 54 Ca -0.08 -0.35 0.08 0.00 -1.57 0.00 0.00 52.86 50.93 1p6s s ASN 54 Cb -0.12 -0.57 -0.04 0.00 -0.02 0.00 0.00 41.25 40.50 1p6s s ASN 54 CO -0.02 0.33 -0.19 -0.36 -2.57 0.00 0.00 177.10 174.29 1p6s s PHE 55 N -0.68 1.73 -0.03 2.20 0.40 0.24 -4.97 117.98 116.87 1p6s s PHE 55 Ca 0.11 -0.46 0.06 0.00 -0.60 0.00 0.00 56.93 56.04 1p6s s PHE 55 Cb -0.10 -0.91 -0.01 0.00 0.51 0.00 0.00 43.02 42.51 1p6s s PHE 55 CO -0.00 0.24 -0.21 -1.12 0.70 0.00 0.00 175.22 174.83 1p6s s SER 56 N -2.26 2.54 -0.39 1.36 0.01 -1.26 0.20 113.70 113.90 1p6s s SER 56 Ca 0.10 -0.40 0.11 0.00 1.31 0.00 0.00 55.95 57.07 1p6s s SER 56 Cb -0.08 -0.40 0.36 0.00 0.21 0.00 0.00 66.02 66.12 1p6s s SER 56 CO 0.05 0.25 0.91 0.55 0.41 0.00 0.00 173.24 175.40 1p6s n VAL 57 N 2.69 0.07 -0.07 3.43 3.14 0.60 -4.92 118.33 123.28 1p6s n VAL 57 Ca -0.16 -3.35 -0.15 0.00 -2.96 0.00 0.00 64.34 57.72 1p6s n VAL 57 Cb 0.53 0.42 -0.13 0.00 -1.06 0.00 0.00 33.84 33.59 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 2.92 0.02 -1.81 1.55 0.00 -1.87 -3.40 119.26 116.68 1p6s h ALA 58 Ca -0.01 -0.58 -0.53 0.00 0.00 0.00 0.00 54.91 53.80 1p6s h ALA 58 Cb 1.06 0.07 -0.41 0.00 0.00 0.00 0.00 17.79 18.51 1p6s h ALA 58 CO 0.37 0.08 -0.88 0.39 0.00 0.00 0.00 179.25 179.21 1p6s n GLU 59 N -4.57 2.47 -2.05 0.00 -0.58 -1.26 -5.00 120.64 109.65 1p6s n GLU 59 Ca -0.12 -4.19 -0.01 0.00 -0.42 0.00 0.00 57.16 52.42 1p6s n GLU 59 Cb 0.51 -1.97 -0.00 0.00 -0.57 0.00 0.00 31.44 29.42 1p6s n GLU 59 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1p6s s GLN 61 N -2.03 0.10 -0.01 0.00 0.74 -1.26 -4.93 119.66 112.26 1p6s s GLN 61 Ca 0.00 0.15 0.01 0.00 0.05 0.00 0.00 55.36 55.57 1p6s s GLN 61 Cb 0.00 0.02 -0.04 0.00 1.10 0.00 0.00 33.01 34.09 1p6s s GLN 61 CO 0.00 -0.03 0.01 -1.17 -0.55 0.00 0.00 175.29 173.54 1p6s s LEU 62 N 0.19 3.54 -0.03 3.68 1.98 -1.26 -2.86 118.68 123.92 1p6s s LEU 62 Ca -0.01 0.02 0.01 0.00 -2.89 0.00 0.00 54.13 51.26 1p6s s LEU 62 Cb -0.02 -2.00 0.02 0.00 0.66 0.00 0.00 46.19 44.84 1p6s s LEU 62 CO -0.01 0.29 -0.04 -0.32 -1.89 0.00 0.00 176.35 174.39 1p6s s MET 63 N -1.46 0.66 0.08 1.98 -2.45 0.97 -4.96 119.30 114.12 1p6s s MET 63 Ca 0.19 -0.11 -0.26 0.00 -1.25 0.00 0.00 55.69 54.25 1p6s s MET 63 Cb -0.11 -0.68 -0.06 0.00 1.25 0.00 0.00 34.83 35.22 1p6s s MET 63 CO 0.09 -0.02 0.82 -1.59 1.05 0.00 0.00 175.02 175.36 1p6s s LYS 64 N 0.61 4.56 0.34 4.11 -2.85 -1.26 -0.08 119.74 125.17 1p6s s LYS 64 Ca -0.08 1.17 0.02 0.00 -1.00 0.00 0.00 55.97 56.09 1p6s s LYS 64 Cb -0.11 -3.35 -0.01 0.00 -2.06 0.00 0.00 37.83 32.30 1p6s s LYS 64 CO -0.00 0.31 0.39 -2.37 0.10 0.00 0.00 175.35 173.78 1p6s n THR 65 N 2.62 0.00 -2.09 3.79 5.66 0.61 -4.93 114.28 119.94 1p6s n THR 65 Ca -0.02 -2.03 -0.04 0.00 -3.05 0.00 0.00 64.05 58.91 1p6s n THR 65 Cb 0.50 1.13 0.09 0.00 -1.55 0.00 0.00 70.33 70.50 1p6s n THR 65 CO 0.00 0.00 0.00 -1.84 -3.05 0.00 0.00 175.07 170.18 1p6s n GLU 66 N -0.59 1.89 -4.36 1.09 0.28 -1.26 -0.46 120.64 117.23 1p6s n GLU 66 Ca 0.04 -3.33 -0.20 0.00 -0.16 0.00 0.00 57.16 53.51 1p6s n GLU 66 Cb 0.58 -1.49 -0.15 0.00 1.43 0.00 0.00 31.44 31.81 1p6s n GLU 66 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1p6s s ARG 67 N -2.80 0.89 0.38 3.44 0.52 -1.26 -3.15 118.95 116.97 1p6s s ARG 67 Ca 0.39 -0.29 0.28 0.00 -0.52 0.00 0.00 55.73 55.59 1p6s s ARG 67 Cb 0.38 -0.84 1.04 0.00 0.52 0.00 0.00 34.95 36.04 1p6s s ARG 67 CO -0.05 0.11 1.81 -1.00 0.02 0.00 0.00 175.30 176.19 1p6s h PRO 68 N 6.37 0.00 -6.09 3.54 0.13 -2.01 -3.48 132.00 130.46 1p6s h PRO 68 Ca -0.33 0.00 -0.60 0.00 -0.87 0.00 0.00 66.00 64.20 1p6s h PRO 68 Cb 1.17 0.00 -0.14 0.00 0.13 0.00 0.00 31.00 32.16 1p6s h PRO 68 CO 0.49 0.00 -0.74 1.03 -0.23 0.00 0.00 178.00 178.55 1p6s s ARG 69 N -3.41 1.69 0.86 0.86 0.52 -1.19 -5.13 118.95 113.15 1p6s s ARG 69 Ca 0.04 -1.80 -0.11 0.00 -0.52 0.00 0.00 55.73 53.35 1p6s s ARG 69 Cb 0.09 -1.70 0.11 0.00 0.52 0.00 0.00 34.95 33.97 1p6s s ARG 69 CO 0.51 0.27 1.10 -1.25 0.02 0.00 0.00 175.30 175.95 1p6s s PRO 70 N -3.55 1.52 -0.97 3.54 0.04 -1.21 -4.02 135.00 130.35 1p6s s PRO 70 Ca 0.30 1.21 -0.06 0.00 0.04 0.00 0.00 61.00 62.49 1p6s s PRO 70 Cb -0.03 -1.81 -0.04 0.00 0.04 0.00 0.00 34.50 32.66 1p6s s PRO 70 CO 0.15 -2.17 0.84 0.09 0.04 0.00 0.00 177.00 175.94 1p6s n ASN 71 N -3.89 -6.78 -4.27 6.66 4.13 -1.18 -4.89 115.26 105.03 1p6s n ASN 71 Ca 0.09 -0.58 -0.17 0.00 1.68 0.00 0.00 54.58 55.61 1p6s n ASN 71 Cb 0.53 -4.96 -0.10 0.00 -1.54 0.00 0.00 39.78 33.71 1p6s n ASN 71 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1p6s s THR 72 N -3.28 1.39 -0.10 3.41 2.01 0.39 -3.63 115.64 115.82 1p6s s THR 72 Ca 0.33 -1.98 0.04 0.00 0.31 0.00 0.00 61.69 60.38 1p6s s THR 72 Cb -0.05 -1.79 -0.00 0.00 0.01 0.00 0.00 72.50 70.66 1p6s s THR 72 CO 0.76 -0.59 -0.23 -0.36 -0.69 0.00 0.00 174.62 173.51 1p6s s PHE 73 N -2.81 2.57 -0.08 4.92 0.40 0.68 -0.28 117.98 123.38 1p6s s PHE 73 Ca 0.16 -1.01 0.03 0.00 -0.60 0.00 0.00 56.93 55.51 1p6s s PHE 73 Cb -0.01 -1.71 0.00 0.00 0.51 0.00 0.00 43.02 41.81 1p6s s PHE 73 CO 0.03 -0.40 -0.19 0.08 0.70 0.00 0.00 175.22 175.44 1p6s s VAL 74 N 0.32 1.64 -0.16 -0.44 1.01 0.89 -0.46 120.40 123.19 1p6s s VAL 74 Ca -0.18 -0.78 -0.01 0.00 0.00 0.00 0.00 61.98 61.01 1p6s s VAL 74 Cb -0.18 -1.44 -0.01 0.00 0.00 0.00 0.00 36.38 34.76 1p6s s VAL 74 CO 0.09 0.47 -0.11 -0.51 0.00 0.00 0.00 175.10 175.03 1p6s s ILE 75 N 0.42 3.03 -0.09 2.22 2.07 0.14 -0.02 121.20 128.97 1p6s s ILE 75 Ca -0.15 -0.65 -0.19 0.00 -1.41 0.00 0.00 60.65 58.25 1p6s s ILE 75 Cb -0.16 -2.30 -0.28 0.00 0.13 0.00 0.00 42.46 39.84 1p6s s ILE 75 CO 0.06 0.50 0.69 -0.09 -1.91 0.00 0.00 174.94 174.19 1p6s h ARG 76 N 7.23 0.24 0.00 3.50 2.43 -1.81 -3.43 114.38 122.54 1p6s h ARG 76 Ca -0.32 -0.41 0.31 0.00 -0.81 0.00 0.00 59.98 58.75 1p6s h ARG 76 Cb 1.19 0.15 -0.08 0.00 -0.42 0.00 0.00 29.97 30.82 1p6s h ARG 76 CO 0.58 1.20 -0.42 0.00 -1.51 0.00 0.00 179.97 179.82 1p6s s LEU 78 N 0.00 3.76 0.00 0.00 0.20 -1.26 -4.91 118.68 116.46 1p6s s LEU 78 Ca 0.00 0.10 0.00 0.00 0.69 0.00 0.00 54.13 54.92 1p6s s LEU 78 Cb 0.00 -1.93 0.00 0.00 -0.43 0.00 0.00 46.19 43.83 1p6s s LEU 78 CO 0.00 0.23 0.00 0.00 -0.29 0.00 0.00 176.35 176.29 1p6s n GLN 79 N 3.17 0.00 -3.16 1.98 6.02 -1.26 -4.96 117.38 119.17 1p6s n GLN 79 Ca -0.17 0.00 -0.14 0.00 -0.01 0.00 0.00 57.00 56.68 1p6s n GLN 79 Cb 0.53 0.00 0.01 0.00 1.02 0.00 0.00 30.24 31.80 1p6s n GLN 79 CO 0.00 0.00 0.00 1.87 -1.01 0.00 0.00 177.06 177.92 1p6s n TRP 80 N -1.83 -3.01 -1.77 1.08 -0.00 -1.26 -4.83 117.44 105.82 1p6s n TRP 80 Ca 0.00 1.21 -0.40 0.00 -0.00 0.00 0.00 57.50 58.30 1p6s n TRP 80 Cb 0.00 -3.49 -0.01 0.00 -0.00 0.00 0.00 31.31 27.81 1p6s n TRP 80 CO 0.00 0.00 0.00 0.25 -0.00 0.00 0.00 177.69 177.94 1p6s n THR 81 N -1.00 4.51 -2.55 5.87 -2.24 -1.26 -4.97 114.28 112.64 1p6s n THR 81 Ca -0.01 -3.53 -0.34 0.00 -2.27 0.00 0.00 64.05 57.90 1p6s n THR 81 Cb 0.55 -2.39 -0.04 0.00 -2.10 0.00 0.00 70.33 66.35 1p6s n THR 81 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1p6s s THR 82 N 0.90 3.80 -0.14 4.28 2.01 -1.26 -4.99 115.64 120.24 1p6s s THR 82 Ca 0.56 1.14 -0.18 0.00 0.31 0.00 0.00 61.69 63.53 1p6s s THR 82 Cb 0.16 -3.48 -0.25 0.00 0.01 0.00 0.00 72.50 68.95 1p6s s THR 82 CO -0.07 -0.22 0.46 0.58 -0.69 0.00 0.00 174.62 174.69 1p6s h VAL 83 N 1.64 1.03 -1.97 3.82 2.07 -2.04 -3.39 116.25 117.41 1p6s h VAL 83 Ca -0.49 -2.32 -0.71 0.00 0.82 0.00 0.00 66.70 63.99 1p6s h VAL 83 Cb 1.22 2.62 -0.33 0.00 -1.52 0.00 0.00 31.29 33.28 1p6s h VAL 83 CO 0.59 0.60 0.40 0.00 0.02 0.00 0.00 177.57 179.18 1p6s n ILE 84 N -4.10 3.76 -2.07 4.57 0.13 -1.26 -4.51 119.36 115.88 1p6s n ILE 84 Ca -0.26 -4.98 -0.01 0.00 -1.10 0.00 0.00 62.75 56.40 1p6s n ILE 84 Cb 0.81 -1.33 -0.01 0.00 -0.84 0.00 0.00 39.64 38.26 1p6s n ILE 84 CO 0.00 0.00 0.00 1.21 2.80 0.00 0.00 176.55 180.56 1p6s n GLU 85 N -0.39 0.00 -0.01 9.51 4.07 -1.26 -4.92 120.64 127.63 1p6s n GLU 85 Ca 0.46 -0.76 0.00 0.00 -0.06 0.00 0.00 57.16 56.80 1p6s n GLU 85 Cb 0.36 0.01 0.00 0.00 -0.06 0.00 0.00 31.44 31.75 1p6s n GLU 85 CO 0.00 0.00 0.00 0.54 -0.06 0.00 0.00 177.13 177.61 1p6s n ARG 86 N 0.07 0.00 -4.13 5.31 3.00 -1.26 -4.97 116.66 114.68 1p6s n ARG 86 Ca -0.06 -0.46 -0.17 0.00 -0.01 0.00 0.00 57.85 57.16 1p6s n ARG 86 Cb 0.69 -0.44 -0.15 0.00 0.00 0.00 0.00 32.46 32.55 1p6s n ARG 86 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.63 177.55 1p6s s THR 87 N 0.00 0.40 -0.00 0.55 -1.32 -1.26 0.25 115.64 114.26 1p6s s THR 87 Ca 0.00 -0.15 -0.08 0.00 -1.21 0.00 0.00 61.69 60.25 1p6s s THR 87 Cb 0.00 -0.38 0.00 0.00 -1.51 0.00 0.00 72.50 70.61 1p6s s THR 87 CO 0.00 0.14 0.15 0.72 -2.21 0.00 0.00 174.62 173.42 1p6s s PHE 88 N 0.27 0.01 0.15 9.09 -0.12 0.39 -4.79 117.98 122.98 1p6s s PHE 88 Ca -0.03 -0.06 0.04 0.00 -0.05 0.00 0.00 56.93 56.84 1p6s s PHE 88 Cb -0.07 -0.03 -0.04 0.00 -0.63 0.00 0.00 43.02 42.26 1p6s s PHE 88 CO -0.00 -0.27 0.14 -1.01 -0.05 0.00 0.00 175.22 174.02 1p6s s HIS 89 N -1.24 3.19 0.18 3.49 3.76 0.95 -0.23 115.29 125.39 1p6s s HIS 89 Ca -0.13 0.01 0.05 0.00 -0.15 0.00 0.00 55.06 54.84 1p6s s HIS 89 Cb -0.07 -1.54 -0.04 0.00 1.11 0.00 0.00 32.58 32.04 1p6s s HIS 89 CO 0.02 0.52 0.18 0.14 -0.85 0.00 0.00 174.74 174.74 1p6s s VAL 90 N -1.69 4.63 0.01 -0.90 -7.23 -1.24 0.62 120.40 114.60 1p6s s VAL 90 Ca 0.31 -1.09 0.28 0.00 -1.81 0.00 0.00 61.98 59.66 1p6s s VAL 90 Cb -0.10 -3.40 0.31 0.00 0.56 0.00 0.00 36.38 33.75 1p6s s VAL 90 CO 0.24 -0.17 1.84 0.44 -0.31 0.00 0.00 175.10 177.14 1p6s h ASP 91 N 2.12 0.00 -4.71 4.85 5.19 -1.93 -3.44 116.42 118.50 1p6s h ASP 91 Ca -0.48 0.00 -0.26 0.00 -0.62 0.00 0.00 57.03 55.67 1p6s h ASP 91 Cb 1.21 0.00 -0.22 0.00 0.18 0.00 0.00 39.33 40.50 1p6s h ASP 91 CO 0.63 0.10 -0.73 -0.44 -3.12 0.00 0.00 179.24 175.69 1p6s s SER 92 N -5.99 0.69 0.38 6.45 0.01 -1.26 -5.03 113.70 108.95 1p6s s SER 92 Ca 0.02 -0.49 0.14 0.00 1.31 0.00 0.00 55.95 56.93 1p6s s SER 92 Cb 0.09 0.04 0.75 0.00 0.21 0.00 0.00 66.02 67.10 1p6s s SER 92 CO 0.61 -0.20 1.82 1.55 0.41 0.00 0.00 173.24 177.43 1p6s h PRO 93 N 4.69 0.00 -0.04 12.44 0.13 -1.93 -2.81 132.00 144.49 1p6s h PRO 93 Ca -0.34 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.53 1p6s h PRO 93 Cb 1.20 0.00 0.02 0.00 0.13 0.00 0.00 31.00 32.35 1p6s h PRO 93 CO 0.42 0.37 -0.98 -0.44 -0.23 0.00 0.00 178.00 177.14 1p6s h ASP 94 N 0.00 0.92 -0.63 1.44 3.32 -1.99 -3.22 116.42 116.26 1p6s h ASP 94 Ca -0.00 -0.70 -0.01 0.00 0.02 0.00 0.00 57.03 56.34 1p6s h ASP 94 Cb 0.69 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.93 1p6s h ASP 94 CO 0.05 1.50 0.38 -0.33 -1.72 0.00 0.00 179.24 179.12 1p6s h GLU 95 N 0.43 0.88 -0.32 3.56 3.07 -1.92 -2.17 114.58 118.11 1p6s h GLU 95 Ca -0.11 -0.08 0.05 0.00 -0.50 0.00 0.00 59.36 58.72 1p6s h GLU 95 Cb 1.62 -0.18 -0.05 0.00 -0.84 0.00 0.00 28.75 29.30 1p6s h GLU 95 CO 0.19 0.63 0.04 -0.09 -1.40 0.00 0.00 179.01 178.38 1p6s h ARG 96 N 0.89 0.14 -0.58 2.33 2.43 -1.51 0.36 114.38 118.45 1p6s h ARG 96 Ca 0.23 -0.01 -0.05 0.00 -0.81 0.00 0.00 59.98 59.34 1p6s h ARG 96 Cb -0.01 -0.03 -0.03 0.00 -0.42 0.00 0.00 29.97 29.48 1p6s h ARG 96 CO -0.04 0.09 0.14 1.49 -1.51 0.00 0.00 179.97 180.14 1p6s h GLU 97 N 0.14 0.89 -0.77 0.20 4.57 -1.54 -2.30 114.58 115.77 1p6s h GLU 97 Ca 0.15 -0.19 -0.06 0.00 -1.18 0.00 0.00 59.36 58.09 1p6s h GLU 97 Cb 0.19 -0.13 -0.03 0.00 -0.16 0.00 0.00 28.75 28.61 1p6s h GLU 97 CO -0.23 0.80 0.26 1.49 -1.18 0.00 0.00 179.01 180.16 1p6s h GLU 98 N 0.86 1.18 -0.78 1.92 4.81 -0.57 -2.56 114.58 119.43 1p6s h GLU 98 Ca 0.19 -0.24 0.01 0.00 -0.13 0.00 0.00 59.36 59.19 1p6s h GLU 98 Cb 0.31 -0.18 -0.04 0.00 0.63 0.00 0.00 28.75 29.48 1p6s h GLU 98 CO -0.00 0.98 0.52 -1.49 -0.73 0.00 0.00 179.01 178.29 1p6s h TRP 99 N 1.14 0.98 -0.37 0.92 -0.00 0.20 -2.29 115.95 116.53 1p6s h TRP 99 Ca 0.25 0.02 0.02 0.00 -0.00 0.00 0.00 58.89 59.18 1p6s h TRP 99 Cb 0.28 -0.33 -0.03 0.00 -0.00 0.00 0.00 29.16 29.08 1p6s h TRP 99 CO 0.02 0.61 0.21 1.98 -0.00 0.00 0.00 178.44 181.27 1p6s h MET 100 N 1.05 0.42 -0.77 0.49 4.05 -1.07 -1.60 114.93 117.49 1p6s h MET 100 Ca 0.29 -0.03 0.06 0.00 -0.28 0.00 0.00 59.70 59.75 1p6s h MET 100 Cb -0.11 -0.09 -0.06 0.00 -0.80 0.00 0.00 31.60 30.54 1p6s h MET 100 CO -0.07 0.28 0.46 0.00 0.23 0.00 0.00 176.91 177.81 1p6s h ARG 101 N 0.43 0.81 -0.69 0.39 3.08 -1.09 -1.16 114.38 116.13 1p6s h ARG 101 Ca 0.15 -0.05 -0.05 0.00 0.07 0.00 0.00 59.98 60.10 1p6s h ARG 101 Cb 0.02 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 29.85 1p6s h ARG 101 CO -0.08 0.53 0.24 0.00 -1.07 0.00 0.00 179.97 179.60 1p6s h ALA 102 N 1.38 0.91 -0.82 0.04 0.00 -0.89 -2.08 119.26 117.80 1p6s h ALA 102 Ca 0.34 -0.21 -0.03 0.00 0.00 0.00 0.00 54.91 55.02 1p6s h ALA 102 Cb 0.19 -0.27 -0.04 0.00 0.00 0.00 0.00 17.79 17.68 1p6s h ALA 102 CO -0.18 0.57 0.38 0.82 0.00 0.00 0.00 179.25 180.83 1p6s h ILE 103 N 1.01 1.26 -0.58 0.00 2.04 -0.46 -1.74 117.51 119.03 1p6s h ILE 103 Ca 0.23 -0.74 -0.03 0.00 1.00 0.00 0.00 64.86 65.32 1p6s h ILE 103 Cb 0.27 0.22 -0.03 0.00 -0.74 0.00 0.00 36.82 36.54 1p6s h ILE 103 CO -0.01 0.31 0.26 -0.61 0.00 0.00 0.00 178.15 178.10 1p6s h GLN 104 N 1.17 0.86 -0.53 2.37 5.75 -0.85 -1.45 115.11 122.43 1p6s h GLN 104 Ca 0.28 -0.14 -0.02 0.00 -0.15 0.00 0.00 58.65 58.62 1p6s h GLN 104 Cb 0.14 -0.15 -0.02 0.00 1.07 0.00 0.00 27.48 28.52 1p6s h GLN 104 CO -0.03 0.71 0.24 1.98 -2.65 0.00 0.00 178.83 179.08 1p6s h MET 105 N 0.80 0.77 -0.75 1.69 4.05 -0.95 -2.06 114.93 118.48 1p6s h MET 105 Ca 0.20 -0.12 -0.02 0.00 -0.28 0.00 0.00 59.70 59.48 1p6s h MET 105 Cb 0.16 -0.13 -0.03 0.00 -0.80 0.00 0.00 31.60 30.79 1p6s h MET 105 CO -0.02 0.64 0.39 0.28 0.23 0.00 0.00 176.91 178.43 1p6s h VAL 106 N 0.71 1.23 -0.67 -5.77 2.07 -1.07 -2.37 116.25 110.39 1p6s h VAL 106 Ca 0.18 -0.60 -0.03 0.00 0.82 0.00 0.00 66.70 67.07 1p6s h VAL 106 Cb 0.14 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 30.14 1p6s h VAL 106 CO -0.02 0.26 0.30 0.00 0.02 0.00 0.00 177.57 178.13 1p6s h ALA 107 N 1.20 1.28 -0.68 1.67 0.00 -0.96 0.16 119.26 121.93 1p6s h ALA 107 Ca 0.26 -0.15 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1p6s h ALA 107 Cb 0.06 -0.27 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 1p6s h ALA 107 CO -0.04 0.55 0.38 -0.91 0.00 0.00 0.00 179.25 179.23 1p6s h ASN 108 N 0.95 0.84 0.59 0.00 2.35 -0.86 -2.30 115.58 117.15 1p6s h ASN 108 Ca 0.23 -0.09 -0.21 0.00 -0.55 0.00 0.00 56.30 55.68 1p6s h ASN 108 Cb 0.13 -0.21 -0.01 0.00 0.05 0.00 0.00 38.32 38.28 1p6s h ASN 108 CO -0.03 0.68 -0.94 0.28 -1.65 0.00 0.00 177.43 175.77 1p6s h SER 109 N 0.93 0.29 0.15 5.81 0.02 -1.14 -3.18 113.55 116.43 1p6s h SER 109 Ca 0.24 -0.25 -0.02 0.00 -0.84 0.00 0.00 61.79 60.92 1p6s h SER 109 Cb 0.02 -0.09 -0.00 0.00 0.14 0.00 0.00 62.40 62.47 1p6s h SER 109 CO -0.04 1.08 -0.11 -0.07 -1.14 0.00 0.00 176.83 176.56 1p6s h LEU 110 N 0.11 0.00 0.00 5.07 4.07 -0.38 -3.52 115.31 120.66 1p6s h LEU 110 Ca -0.06 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.90 1p6s h LEU 110 Cb 1.60 0.00 0.00 0.00 1.08 0.00 0.00 40.66 43.34 1p6s h LEU 110 CO 0.15 0.11 0.00 0.29 -1.08 0.00 0.00 178.44 177.90