#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 s SER 2 N 0.00 3.72 -0.26 1.61 0.01 -1.26 -5.10 113.70 112.41 1x05 s SER 2 Ca 0.00 -1.42 -0.26 0.00 1.31 0.00 0.00 55.95 55.59 1x05 s SER 2 Cb 0.00 -0.54 0.11 0.00 0.21 0.00 0.00 66.02 65.80 1x05 s SER 2 CO 0.00 -0.43 0.94 -0.55 0.41 0.00 0.00 173.24 173.61 1x05 s SER 3 N 1.92 -0.53 -0.22 2.44 0.15 -1.26 -5.09 113.70 111.11 1x05 s SER 3 Ca 0.09 0.98 -0.26 0.00 0.70 0.00 0.00 55.95 57.47 1x05 s SER 3 Cb -0.16 0.98 0.07 0.00 -1.71 0.00 0.00 66.02 65.20 1x05 s SER 3 CO -0.32 -0.20 0.70 -0.83 1.20 0.00 0.00 173.24 173.78 1x05 s GLY 4 N 0.14 -0.54 -0.26 9.45 0.00 -1.26 -5.14 107.32 109.72 1x05 s GLY 4 Ca 0.02 1.85 0.02 0.00 0.00 0.00 0.00 44.72 46.60 1x05 s GLY 4 CO -0.03 1.56 -0.06 -0.45 0.00 0.00 0.00 173.10 174.12 1x05 s SER 5 N 0.05 4.14 -0.60 1.64 0.15 -1.26 -4.85 113.70 112.96 1x05 s SER 5 Ca -0.02 -1.36 -0.14 0.00 0.70 0.00 0.00 55.95 55.14 1x05 s SER 5 Cb -0.04 -1.33 0.02 0.00 -1.71 0.00 0.00 66.02 62.96 1x05 s SER 5 CO 0.03 -0.24 0.64 -1.54 1.20 0.00 0.00 173.24 173.33 1x05 n SER 6 N 4.56 -6.70 0.00 5.45 3.41 -1.26 -5.00 113.62 114.08 1x05 n SER 6 Ca -0.11 -0.11 0.00 0.00 -0.26 0.00 0.00 58.87 58.40 1x05 n SER 6 Cb 0.43 -3.74 0.00 0.00 -0.26 0.00 0.00 64.21 60.64 1x05 n SER 6 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1x05 n GLY 7 N -0.96 0.19 3.21 5.00 0.00 -1.26 -5.13 105.19 106.24 1x05 n GLY 7 Ca -0.05 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1x05 n GLY 7 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 8 N 0.00 0.60 0.73 1.61 0.11 -1.26 -5.13 120.40 117.05 1x05 s VAL 8 Ca 0.00 -1.96 -0.17 0.00 -2.93 0.00 0.00 61.98 56.92 1x05 s VAL 8 Cb 0.00 -2.02 -0.09 0.00 -1.53 0.00 0.00 36.38 32.74 1x05 s VAL 8 CO 0.00 -0.56 0.05 -0.38 -3.33 0.00 0.00 175.10 170.88 1x05 n ILE 9 N -0.18 0.80 -3.46 7.04 -0.00 -1.26 -4.90 119.36 117.40 1x05 n ILE 9 Ca -0.08 -0.44 -0.40 0.00 -0.00 0.00 0.00 62.75 61.83 1x05 n ILE 9 Cb 0.63 -0.36 -0.10 0.00 -0.00 0.00 0.00 39.64 39.81 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 -0.00 0.00 0.00 176.55 176.33 1x05 s LEU 10 N 3.02 4.39 0.00 1.39 1.98 -1.26 -5.07 118.68 123.12 1x05 s LEU 10 Ca 0.57 -0.22 0.00 0.00 -2.89 0.00 0.00 54.13 51.59 1x05 s LEU 10 Cb -0.35 -2.26 0.00 0.00 0.66 0.00 0.00 46.19 44.24 1x05 s LEU 10 CO 0.66 -0.26 0.00 0.29 -1.89 0.00 0.00 176.35 175.15 1x05 n LYS 11 N 5.26 -0.65 -0.07 1.98 5.02 -1.26 -4.98 118.16 123.46 1x05 n LYS 11 Ca -0.11 0.00 -0.13 0.00 -2.02 0.00 0.00 58.31 56.06 1x05 n LYS 11 Cb 0.50 0.00 -0.05 0.00 -0.02 0.00 0.00 35.03 35.46 1x05 n LYS 11 CO 0.00 0.00 0.00 0.39 -0.52 0.00 0.00 177.40 177.27 1x05 n GLU 12 N -1.28 0.30 0.09 1.97 -0.58 -1.26 -4.28 120.64 115.60 1x05 n GLU 12 Ca 0.00 0.11 0.08 0.00 -0.42 0.00 0.00 57.16 56.93 1x05 n GLU 12 Cb 0.00 -1.07 0.39 0.00 -0.57 0.00 0.00 31.44 30.19 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 -0.48 0.00 0.00 177.13 175.80 1x05 n GLU 13 N -3.35 0.10 -0.39 3.49 0.28 -1.26 -0.80 120.64 118.71 1x05 n GLU 13 Ca -0.25 0.48 0.08 0.00 -0.16 0.00 0.00 57.16 57.31 1x05 n GLU 13 Cb 0.71 -1.76 0.24 0.00 1.43 0.00 0.00 31.44 32.05 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 -0.16 0.00 0.00 177.13 178.16 1x05 n PHE 14 N -1.97 0.85 -1.02 -1.84 3.72 -1.26 -4.72 117.46 111.23 1x05 n PHE 14 Ca 0.01 -0.79 -0.20 0.00 -0.05 0.00 0.00 57.45 56.42 1x05 n PHE 14 Cb 0.11 -0.25 -0.11 0.00 -0.94 0.00 0.00 39.48 38.29 1x05 n PHE 14 CO 0.00 0.00 0.00 0.54 -0.05 0.00 0.00 176.76 177.25 1x05 n ARG 15 N -0.25 2.39 0.00 -1.08 5.12 0.02 -4.73 116.66 118.13 1x05 n ARG 15 Ca 0.19 -1.32 0.00 0.00 -1.93 0.00 0.00 57.85 54.79 1x05 n ARG 15 Cb 0.79 -2.24 0.00 0.00 -1.16 0.00 0.00 32.46 29.85 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1x05 n GLY 16 N 2.93 3.88 3.42 -0.13 0.00 -1.19 -3.60 105.19 110.50 1x05 n GLY 16 Ca 0.51 -0.96 -0.21 0.00 0.00 0.00 0.00 46.02 45.37 1x05 n GLY 16 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1x05 s VAL 17 N -1.92 1.42 0.10 1.61 0.11 -1.22 -4.96 120.40 115.54 1x05 s VAL 17 Ca 0.00 -2.07 -0.13 0.00 -2.93 0.00 0.00 61.98 56.85 1x05 s VAL 17 Cb 0.00 -2.55 -0.06 0.00 -1.53 0.00 0.00 36.38 32.24 1x05 s VAL 17 CO 0.00 -0.21 0.48 -0.63 -3.33 0.00 0.00 175.10 171.41 1x05 s ILE 18 N -3.15 4.95 -0.06 7.04 -1.09 -1.26 -2.64 121.20 124.98 1x05 s ILE 18 Ca 0.31 0.74 0.02 0.00 -2.23 0.00 0.00 60.65 59.49 1x05 s ILE 18 Cb 0.06 -3.72 -0.05 0.00 -1.58 0.00 0.00 42.46 37.18 1x05 s ILE 18 CO 0.13 0.33 -0.03 2.30 -1.23 0.00 0.00 174.94 176.43 1x05 n ILE 19 N 1.05 0.34 -3.63 2.92 -0.00 -1.07 -4.95 119.36 114.03 1x05 n ILE 19 Ca -0.08 -0.15 -0.15 0.00 -0.00 0.00 0.00 62.75 62.37 1x05 n ILE 19 Cb 0.52 -0.76 -0.07 0.00 -0.00 0.00 0.00 39.64 39.32 1x05 n ILE 19 CO 0.00 0.00 0.00 -0.75 -0.00 0.00 0.00 176.55 175.80 1x05 s LYS 20 N -2.12 0.84 -0.01 6.28 2.20 -1.25 -5.08 119.74 120.60 1x05 s LYS 20 Ca -0.06 0.33 -0.06 0.00 -0.36 0.00 0.00 55.97 55.81 1x05 s LYS 20 Cb 0.02 0.40 0.00 0.00 -1.51 0.00 0.00 37.83 36.74 1x05 s LYS 20 CO 0.16 -0.21 0.13 -0.65 -0.36 0.00 0.00 175.35 174.41 1x05 s GLN 21 N -0.74 0.41 0.00 4.03 -0.21 -1.26 -2.16 119.66 119.73 1x05 s GLN 21 Ca -0.08 -0.29 0.00 0.00 0.02 0.00 0.00 55.36 55.01 1x05 s GLN 21 Cb -0.03 0.17 0.00 0.00 1.00 0.00 0.00 33.01 34.16 1x05 s GLN 21 CO 0.06 -0.09 0.00 0.41 -2.12 0.00 0.00 175.29 173.54 1x05 n GLY 22 N 1.78 -1.37 3.63 3.09 0.00 -1.17 -5.05 105.19 106.10 1x05 n GLY 22 Ca -0.21 -1.00 -0.35 0.00 0.00 0.00 0.00 46.02 44.46 1x05 n GLY 22 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s LEU 24 N -0.28 2.46 -0.50 0.00 1.43 0.35 -4.79 118.68 117.35 1x05 s LEU 24 Ca 0.06 -0.90 -0.12 0.00 -1.03 0.00 0.00 54.13 52.14 1x05 s LEU 24 Cb -0.12 -0.41 0.12 0.00 0.03 0.00 0.00 46.19 45.81 1x05 s LEU 24 CO 0.02 -0.25 0.41 -0.76 0.23 0.00 0.00 176.35 176.00 1x05 s LEU 25 N -2.76 5.88 -0.09 1.79 2.01 -1.23 -0.75 118.68 123.53 1x05 s LEU 25 Ca 0.11 -1.82 -0.26 0.00 0.01 0.00 0.00 54.13 52.18 1x05 s LEU 25 Cb -0.01 -2.10 -0.03 0.00 0.01 0.00 0.00 46.19 44.06 1x05 s LEU 25 CO 0.01 -0.76 0.81 -0.75 1.01 0.00 0.00 176.35 176.68 1x05 s LYS 26 N 1.48 4.42 0.89 1.70 2.20 -1.23 -3.07 119.74 126.13 1x05 s LYS 26 Ca 0.04 1.05 -0.13 0.00 -0.36 0.00 0.00 55.97 56.57 1x05 s LYS 26 Cb -0.28 -3.49 0.16 0.00 -1.51 0.00 0.00 37.83 32.71 1x05 s LYS 26 CO 0.01 -0.10 1.24 -0.65 -0.36 0.00 0.00 175.35 175.50 1x05 s GLN 27 N 1.31 1.15 0.31 4.03 -1.52 -1.00 -3.88 119.66 120.05 1x05 s GLN 27 Ca 0.41 -0.35 0.05 0.00 -1.95 0.00 0.00 55.36 53.53 1x05 s GLN 27 Cb -0.18 -1.94 -0.03 0.00 -0.22 0.00 0.00 33.01 30.64 1x05 s GLN 27 CO 0.18 -2.06 0.23 0.20 -0.25 0.00 0.00 175.29 173.59 1x05 s GLY 28 N -4.78 2.16 -0.06 3.09 0.00 -1.26 -4.86 107.32 101.60 1x05 s GLY 28 Ca 0.70 -1.90 -0.23 0.00 0.00 0.00 0.00 44.72 43.28 1x05 s GLY 28 CO 0.51 -1.50 0.89 0.84 0.00 0.00 0.00 173.10 173.84 1x05 h HIS 29 N 2.21 -0.11 -1.05 1.90 2.76 -1.99 -3.16 115.15 115.71 1x05 h HIS 29 Ca -0.29 -0.00 0.29 0.00 -2.20 0.00 0.00 60.37 58.17 1x05 h HIS 29 Cb 1.24 0.04 -0.05 0.00 1.55 0.00 0.00 27.41 30.18 1x05 h HIS 29 CO 1.36 0.43 0.73 0.00 -1.30 0.00 0.00 177.93 179.15 1x05 h ARG 30 N -0.82 0.10 -4.80 5.26 2.47 -2.00 -3.45 114.38 111.15 1x05 h ARG 30 Ca -0.01 -0.01 -0.23 0.00 -1.26 0.00 0.00 59.98 58.47 1x05 h ARG 30 Cb 0.59 -0.02 0.14 0.00 -1.65 0.00 0.00 29.97 29.02 1x05 h ARG 30 CO 0.02 0.07 -0.61 -2.13 0.56 0.00 0.00 179.97 177.88 1x05 n ARG 31 N -4.32 -3.98 -3.90 0.04 0.00 -1.20 -4.99 116.66 98.32 1x05 n ARG 31 Ca 0.23 0.65 -0.31 0.00 -0.00 0.00 0.00 57.85 58.42 1x05 n ARG 31 Cb 1.05 -4.97 -0.13 0.00 0.00 0.00 0.00 32.46 28.41 1x05 n ARG 31 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.63 177.84 1x05 s LYS 32 N -4.72 2.22 0.49 -0.14 2.47 -1.26 -5.04 119.74 113.75 1x05 s LYS 32 Ca 0.11 -2.81 0.00 0.00 -1.56 0.00 0.00 55.97 51.71 1x05 s LYS 32 Cb -0.01 -3.42 0.00 0.00 -1.46 0.00 0.00 37.83 32.94 1x05 s LYS 32 CO 0.56 -1.16 0.00 0.09 0.16 0.00 0.00 175.35 174.99 1x05 n ASN 33 N 2.85 -7.77 -5.00 1.43 3.02 -1.26 -4.93 115.26 103.60 1x05 n ASN 33 Ca 0.09 1.09 -0.19 0.00 -0.03 0.00 0.00 54.58 55.54 1x05 n ASN 33 Cb 0.34 -4.56 0.05 0.00 -0.61 0.00 0.00 39.78 35.00 1x05 n ASN 33 CO 0.00 0.00 0.00 0.26 -2.62 0.00 0.00 177.26 174.90 1x05 s TRP 34 N -3.65 1.73 -0.13 3.10 0.52 -1.26 -4.77 118.94 114.49 1x05 s TRP 34 Ca 0.00 -0.61 -0.04 0.00 0.02 0.00 0.00 56.10 55.47 1x05 s TRP 34 Cb 0.00 -2.31 0.06 0.00 -1.15 0.00 0.00 33.47 30.07 1x05 s TRP 34 CO 0.00 -1.04 0.18 0.15 0.02 0.00 0.00 176.95 176.26 1x05 s LYS 35 N -4.64 0.08 0.34 4.98 1.02 -1.25 -5.03 119.74 115.25 1x05 s LYS 35 Ca 0.61 0.42 -0.29 0.00 0.02 0.00 0.00 55.97 56.73 1x05 s LYS 35 Cb -0.07 -0.65 -0.11 0.00 -0.52 0.00 0.00 37.83 36.48 1x05 s LYS 35 CO 0.38 -0.43 1.49 0.28 -0.92 0.00 0.00 175.35 176.15 1x05 n VAL 36 N 5.32 1.68 -3.70 3.17 0.31 -1.26 -3.47 118.33 120.38 1x05 n VAL 36 Ca -0.05 -0.42 -0.14 0.00 -0.01 0.00 0.00 64.34 63.72 1x05 n VAL 36 Cb 0.50 -1.90 -0.09 0.00 -0.91 0.00 0.00 33.84 31.44 1x05 n VAL 36 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 1x05 s ARG 37 N -1.56 0.62 -0.78 5.55 0.52 0.07 -4.60 118.95 118.77 1x05 s ARG 37 Ca 0.57 0.59 -0.26 0.00 -0.52 0.00 0.00 55.73 56.11 1x05 s ARG 37 Cb -0.50 0.30 0.03 0.00 0.52 0.00 0.00 34.95 35.30 1x05 s ARG 37 CO 0.59 -0.09 1.31 0.21 0.02 0.00 0.00 175.30 177.33 1x05 s LYS 38 N 0.05 3.25 -0.39 3.54 2.20 -0.32 0.13 119.74 128.20 1x05 s LYS 38 Ca -0.02 -0.38 -0.23 0.00 -0.36 0.00 0.00 55.97 54.98 1x05 s LYS 38 Cb -0.03 -4.37 0.01 0.00 -1.51 0.00 0.00 37.83 31.93 1x05 s LYS 38 CO 0.02 -2.16 0.78 -0.06 -0.36 0.00 0.00 175.35 173.57 1x05 s PHE 39 N 5.62 3.08 -0.17 4.03 0.40 0.10 -0.95 117.98 130.10 1x05 s PHE 39 Ca 0.37 0.45 -0.05 0.00 -0.60 0.00 0.00 56.93 57.09 1x05 s PHE 39 Cb -0.07 -3.47 -0.03 0.00 0.51 0.00 0.00 43.02 39.96 1x05 s PHE 39 CO 0.11 -0.80 0.01 0.42 0.70 0.00 0.00 175.22 175.66 1x05 s ILE 40 N 3.15 4.29 -0.11 0.64 1.01 0.49 -3.04 121.20 127.63 1x05 s ILE 40 Ca 0.31 -0.21 -0.02 0.00 0.00 0.00 0.00 60.65 60.72 1x05 s ILE 40 Cb -0.13 -2.91 -0.03 0.00 0.01 0.00 0.00 42.46 39.40 1x05 s ILE 40 CO 0.18 0.48 -0.01 -0.22 0.00 0.00 0.00 174.94 175.37 1x05 s LEU 41 N 0.37 3.47 -0.04 2.97 2.96 -0.92 -0.35 118.68 127.15 1x05 s LEU 41 Ca -0.01 0.05 -0.01 0.00 -0.22 0.00 0.00 54.13 53.95 1x05 s LEU 41 Cb -0.13 -1.81 0.03 0.00 0.50 0.00 0.00 46.19 44.78 1x05 s LEU 41 CO 0.02 0.31 0.03 0.00 -1.32 0.00 0.00 176.35 175.39 1x05 s ARG 42 N -0.48 0.08 -0.10 1.98 1.70 -0.56 -2.59 118.95 118.99 1x05 s ARG 42 Ca 0.08 0.24 -0.06 0.00 -0.47 0.00 0.00 55.73 55.52 1x05 s ARG 42 Cb -0.12 -0.49 -0.04 0.00 -0.57 0.00 0.00 34.95 33.73 1x05 s ARG 42 CO 0.02 -0.25 0.15 -1.83 -1.08 0.00 0.00 175.30 172.31 1x05 s GLU 43 N 1.64 3.44 -0.57 3.89 -1.05 -1.08 -0.71 118.70 124.25 1x05 s GLU 43 Ca -0.02 -0.17 -0.12 0.00 -0.15 0.00 0.00 54.97 54.52 1x05 s GLU 43 Cb -0.13 -3.17 0.02 0.00 -0.44 0.00 0.00 34.13 30.41 1x05 s GLU 43 CO -0.03 0.76 0.64 -3.47 0.95 0.00 0.00 175.26 174.11 1x05 n ASP 44 N 1.76 -7.46 -4.79 0.83 2.03 -1.26 -3.39 116.55 104.27 1x05 n ASP 44 Ca -0.18 0.16 -0.29 0.00 0.52 0.00 0.00 54.79 55.00 1x05 n ASP 44 Cb 0.54 -4.76 0.13 0.00 -0.72 0.00 0.00 41.12 36.32 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 -1.92 0.00 0.00 177.20 173.12 1x05 s PRO 45 N -2.89 1.15 -0.59 -0.67 0.04 -1.24 -3.16 135.00 127.65 1x05 s PRO 45 Ca 0.16 0.29 -0.16 0.00 0.04 0.00 0.00 61.00 61.33 1x05 s PRO 45 Cb -0.04 -1.84 0.13 0.00 0.04 0.00 0.00 34.50 32.80 1x05 s PRO 45 CO 0.78 -2.19 0.58 0.00 0.04 0.00 0.00 177.00 176.22 1x05 s ALA 46 N -3.28 3.64 0.06 8.56 0.00 -1.24 -4.68 121.76 124.83 1x05 s ALA 46 Ca 0.64 -2.57 -0.08 0.00 0.00 0.00 0.00 51.96 49.96 1x05 s ALA 46 Cb -0.15 -3.36 -0.01 0.00 0.00 0.00 0.00 23.12 19.60 1x05 s ALA 46 CO 0.53 -2.13 0.15 0.71 0.00 0.00 0.00 175.76 175.02 1x05 s TYR 47 N 1.69 0.17 -0.24 0.00 2.02 0.11 -1.71 117.35 119.40 1x05 s TYR 47 Ca 0.07 -0.54 0.01 0.00 -0.37 0.00 0.00 57.07 56.24 1x05 s TYR 47 Cb -0.26 -0.10 0.06 0.00 -0.40 0.00 0.00 41.96 41.26 1x05 s TYR 47 CO 0.02 -0.47 -0.08 -1.17 -1.57 0.00 0.00 175.55 172.28 1x05 s LEU 48 N -2.55 2.80 -0.08 -1.29 1.98 -0.36 -1.49 118.68 117.70 1x05 s LEU 48 Ca 0.01 -1.20 -0.02 0.00 -2.89 0.00 0.00 54.13 50.02 1x05 s LEU 48 Cb 0.03 -1.31 -0.03 0.00 0.66 0.00 0.00 46.19 45.54 1x05 s LEU 48 CO -0.08 -0.21 0.02 -1.00 -1.89 0.00 0.00 176.35 173.19 1x05 s HIS 49 N 1.30 3.22 -0.10 5.38 3.76 0.53 0.23 115.29 129.61 1x05 s HIS 49 Ca -0.06 0.24 -0.00 0.00 -0.15 0.00 0.00 55.06 55.08 1x05 s HIS 49 Cb -0.19 -1.80 0.02 0.00 1.11 0.00 0.00 32.58 31.72 1x05 s HIS 49 CO -0.06 0.51 -0.07 1.52 -0.85 0.00 0.00 174.74 175.78 1x05 s TYR 50 N -0.92 1.40 0.50 1.40 1.13 -1.25 0.19 117.35 119.79 1x05 s TYR 50 Ca 0.14 -0.66 0.07 0.00 -1.41 0.00 0.00 57.07 55.21 1x05 s TYR 50 Cb -0.11 -1.17 0.02 0.00 -1.10 0.00 0.00 41.96 39.60 1x05 s TYR 50 CO 0.03 -0.47 0.46 0.71 -2.51 0.00 0.00 175.55 173.77 1x05 s TYR 51 N 1.64 2.03 0.09 -3.49 1.51 -0.13 -1.47 117.35 117.53 1x05 s TYR 51 Ca 0.03 -0.68 -0.21 0.00 -1.01 0.00 0.00 57.07 55.20 1x05 s TYR 51 Cb -0.13 -2.07 -0.07 0.00 -0.11 0.00 0.00 41.96 39.58 1x05 s TYR 51 CO -0.07 -0.45 0.64 0.34 -1.11 0.00 0.00 175.55 174.91 1x05 s ASP 52 N -4.28 7.15 0.12 2.29 2.15 -1.26 -1.17 116.67 121.67 1x05 s ASP 52 Ca 0.45 1.37 -0.07 0.00 0.43 0.00 0.00 52.55 54.73 1x05 s ASP 52 Cb -0.03 -2.41 -0.10 0.00 -0.30 0.00 0.00 42.92 40.08 1x05 s ASP 52 CO 0.27 0.22 1.31 1.55 -0.17 0.00 0.00 175.17 178.35 1x05 h PRO 53 N 4.66 0.52 -0.93 4.34 0.13 -1.94 -3.19 132.00 135.60 1x05 h PRO 53 Ca -0.48 -0.51 0.21 0.00 -0.87 0.00 0.00 66.00 64.35 1x05 h PRO 53 Cb 1.21 0.13 -0.12 0.00 0.13 0.00 0.00 31.00 32.36 1x05 h PRO 53 CO 0.65 1.14 0.48 0.00 -0.23 0.00 0.00 178.00 180.05 1x05 h ALA 54 N 0.69 1.53 0.00 -0.56 0.00 -1.93 -3.46 119.26 115.52 1x05 h ALA 54 Ca -0.08 0.13 0.00 0.00 0.00 0.00 0.00 54.91 54.96 1x05 h ALA 54 Cb 1.52 0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.36 1x05 h ALA 54 CO 0.16 -0.24 0.00 0.41 0.00 0.00 0.00 179.25 179.58 1x05 n GLY 55 N -1.33 -1.66 3.85 0.00 0.00 -1.20 -5.17 105.19 99.68 1x05 n GLY 55 Ca 0.23 0.67 0.10 0.00 0.00 0.00 0.00 46.02 47.02 1x05 n GLY 55 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 n ALA 56 N 0.00 -1.87 0.07 4.61 0.00 -1.26 -4.45 120.51 117.61 1x05 n ALA 56 Ca 0.00 0.23 0.00 0.00 0.00 0.00 0.00 53.44 53.67 1x05 n ALA 56 Cb 0.00 -0.65 0.00 0.00 0.00 0.00 0.00 19.45 18.80 1x05 n ALA 56 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1x05 n GLU 57 N -2.98 0.00 -3.20 0.00 2.13 -1.26 -5.01 120.64 110.32 1x05 n GLU 57 Ca 0.00 0.00 -0.22 0.00 0.66 0.00 0.00 57.16 57.60 1x05 n GLU 57 Cb 0.33 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 31.99 1x05 n GLU 57 CO 0.00 0.00 0.00 -0.51 -0.41 0.00 0.00 177.13 176.21 1x05 s ASP 58 N -5.06 5.99 0.13 4.31 1.01 -1.26 -5.06 116.67 116.73 1x05 s ASP 58 Ca 0.00 0.25 -0.30 0.00 0.71 0.00 0.00 52.55 53.20 1x05 s ASP 58 Cb 0.00 -1.63 -0.07 0.00 1.01 0.00 0.00 42.92 42.24 1x05 s ASP 58 CO 0.00 -0.53 1.14 -2.16 0.21 0.00 0.00 175.17 173.83 1x05 s PRO 59 N -4.41 4.52 0.56 8.23 0.04 -1.26 -4.70 135.00 137.98 1x05 s PRO 59 Ca 0.45 1.74 0.29 0.00 0.04 0.00 0.00 61.00 63.52 1x05 s PRO 59 Cb -0.10 -3.31 1.46 0.00 0.04 0.00 0.00 34.50 32.60 1x05 s PRO 59 CO 0.36 -0.07 1.92 -0.07 0.04 0.00 0.00 177.00 179.18 1x05 h LEU 60 N 5.84 0.00 0.00 -3.56 3.38 -1.61 -3.46 115.31 115.90 1x05 h LEU 60 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1x05 h LEU 60 Cb 1.21 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.96 1x05 h LEU 60 CO 0.76 0.00 0.00 0.61 0.09 0.00 0.00 178.44 179.90 1x05 n GLY 61 N -1.61 0.99 3.54 0.83 0.00 -1.25 -5.06 105.19 102.63 1x05 n GLY 61 Ca 0.12 -0.41 -0.14 0.00 0.00 0.00 0.00 46.02 45.59 1x05 n GLY 61 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s ALA 62 N -1.00 -1.84 -0.20 4.61 0.00 -1.26 -3.84 121.76 118.23 1x05 s ALA 62 Ca 0.00 1.42 -0.00 0.00 0.00 0.00 0.00 51.96 53.37 1x05 s ALA 62 Cb 0.00 -0.29 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1x05 s ALA 62 CO 0.00 -0.36 -0.14 0.42 0.00 0.00 0.00 175.76 175.68 1x05 s ILE 63 N -1.26 2.47 0.33 0.00 1.01 0.14 -4.92 121.20 118.96 1x05 s ILE 63 Ca -0.06 -0.87 -0.29 0.00 0.00 0.00 0.00 60.65 59.43 1x05 s ILE 63 Cb -0.00 -2.11 -0.10 0.00 0.01 0.00 0.00 42.46 40.26 1x05 s ILE 63 CO 0.05 0.45 1.36 -2.28 0.00 0.00 0.00 174.94 174.52 1x05 s HIS 64 N 1.33 2.96 0.00 3.97 2.46 -1.26 -1.22 115.29 123.53 1x05 s HIS 64 Ca 0.04 1.31 0.00 0.00 0.47 0.00 0.00 55.06 56.88 1x05 s HIS 64 Cb -0.14 -3.76 0.00 0.00 -0.13 0.00 0.00 32.58 28.55 1x05 s HIS 64 CO -0.09 -2.19 0.73 1.28 -2.47 0.00 0.00 174.74 172.00 1x05 n LEU 65 N 0.98 1.28 -0.23 8.88 4.77 -0.69 -4.42 117.00 127.57 1x05 n LEU 65 Ca 0.01 -1.28 0.31 0.00 -0.03 0.00 0.00 56.01 55.02 1x05 n LEU 65 Cb 0.41 0.00 0.65 0.00 -2.33 0.00 0.00 43.42 42.15 1x05 n LEU 65 CO 0.60 0.32 1.29 0.08 -1.33 0.00 0.00 177.39 178.35 1x05 h ARG 66 N 0.00 0.00 0.00 3.23 0.11 -1.87 -2.97 114.38 112.87 1x05 h ARG 66 Ca 0.00 0.00 -0.12 0.00 0.10 0.00 0.00 59.98 59.96 1x05 h ARG 66 Cb 0.48 0.00 -0.11 0.00 1.11 0.00 0.00 29.97 31.46 1x05 h ARG 66 CO 0.00 0.00 -0.20 0.41 0.10 0.00 0.00 179.97 180.28 1x05 n GLY 67 N -1.70 0.92 3.71 0.08 0.00 -1.26 -4.09 105.19 102.85 1x05 n GLY 67 Ca 0.22 -0.08 -0.29 0.00 0.00 0.00 0.00 46.02 45.87 1x05 n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1x05 s VAL 69 N -3.13 0.88 -0.05 0.00 1.01 0.51 -4.96 120.40 114.66 1x05 s VAL 69 Ca 0.67 -0.97 0.03 0.00 0.00 0.00 0.00 61.98 61.71 1x05 s VAL 69 Cb -0.15 -0.83 -0.03 0.00 0.00 0.00 0.00 36.38 35.37 1x05 s VAL 69 CO 0.56 -0.11 -0.13 -0.69 0.00 0.00 0.00 175.10 174.73 1x05 s VAL 70 N -0.96 3.19 0.11 2.92 1.01 -1.26 -0.54 120.40 124.88 1x05 s VAL 70 Ca -0.02 -0.68 -0.21 0.00 0.00 0.00 0.00 61.98 61.08 1x05 s VAL 70 Cb -0.08 -2.26 0.05 0.00 0.00 0.00 0.00 36.38 34.09 1x05 s VAL 70 CO 0.01 0.59 0.51 0.28 0.00 0.00 0.00 175.10 176.49 1x05 s THR 71 N -0.73 0.03 0.21 3.92 -1.32 -0.47 -4.98 115.64 112.30 1x05 s THR 71 Ca 0.11 -0.26 0.03 0.00 -1.21 0.00 0.00 61.69 60.36 1x05 s THR 71 Cb -0.11 -1.05 -0.03 0.00 -1.51 0.00 0.00 72.50 69.80 1x05 s THR 71 CO 0.01 -0.15 0.35 -0.44 -2.21 0.00 0.00 174.62 172.18 1x05 s SER 72 N -2.54 6.33 0.21 8.08 0.01 -1.26 -1.50 113.70 123.03 1x05 s SER 72 Ca -0.00 0.17 0.03 0.00 1.31 0.00 0.00 55.95 57.46 1x05 s SER 72 Cb 0.00 -1.91 0.03 0.00 0.21 0.00 0.00 66.02 64.35 1x05 s SER 72 CO -0.09 -0.04 0.24 1.33 0.41 0.00 0.00 173.24 175.09 1x05 n VAL 73 N -1.05 0.00 -0.09 3.43 0.24 -1.26 -4.64 118.33 114.97 1x05 n VAL 73 Ca -0.07 -0.74 -0.16 0.00 -2.04 0.00 0.00 64.34 61.32 1x05 n VAL 73 Cb 0.56 -0.63 -0.09 0.00 -1.47 0.00 0.00 33.84 32.20 1x05 n VAL 73 CO 0.00 0.00 0.00 -0.08 -2.14 0.00 0.00 176.83 174.61 1x05 h GLU 74 N 0.00 0.00 -6.55 7.34 4.57 -2.00 -3.49 114.58 114.45 1x05 h GLU 74 Ca -0.11 0.00 -0.38 0.00 -1.18 0.00 0.00 59.36 57.69 1x05 h GLU 74 Cb 0.46 0.00 0.02 0.00 -0.16 0.00 0.00 28.75 29.07 1x05 h GLU 74 CO 0.16 0.77 -1.21 0.45 -1.18 0.00 0.00 179.01 178.01 1x05 n SER 75 N -4.53 -5.54 -0.02 1.04 2.88 -1.26 -4.83 113.62 101.36 1x05 n SER 75 Ca -0.21 -0.14 -0.01 0.00 -1.33 0.00 0.00 58.87 57.19 1x05 n SER 75 Cb 0.52 -1.67 -0.01 0.00 -0.75 0.00 0.00 64.21 62.31 1x05 n SER 75 CO 0.00 0.00 0.00 0.78 -1.23 0.00 0.00 175.04 174.59 1x05 h ASN 76 N 2.14 -0.12 -5.07 -3.46 2.35 -1.95 -3.48 115.58 105.99 1x05 h ASN 76 Ca -0.55 0.02 0.01 0.00 -0.55 0.00 0.00 56.30 55.22 1x05 h ASN 76 Cb 1.40 0.05 -0.11 0.00 0.05 0.00 0.00 38.32 39.71 1x05 h ASN 76 CO 0.22 -0.02 -1.47 -1.20 -1.65 0.00 0.00 177.43 173.31 1x05 n SER 77 N -2.99 -1.83 -3.63 5.81 7.64 -1.26 -5.07 113.62 112.29 1x05 n SER 77 Ca -0.00 1.36 -0.10 0.00 1.01 0.00 0.00 58.87 61.14 1x05 n SER 77 Cb 0.02 -5.18 -0.07 0.00 -1.01 0.00 0.00 64.21 57.98 1x05 n SER 77 CO 0.00 0.00 0.00 0.21 -3.01 0.00 0.00 175.04 172.24 1x05 s ASN 78 N -0.82 -0.45 0.00 6.43 3.84 -1.26 -5.10 114.94 117.58 1x05 s ASN 78 Ca -0.24 0.85 0.00 0.00 0.21 0.00 0.00 52.86 53.68 1x05 s ASN 78 Cb 0.02 0.85 0.00 0.00 -0.55 0.00 0.00 41.25 41.56 1x05 s ASN 78 CO 0.77 -0.18 0.00 0.61 -2.79 0.00 0.00 177.10 175.52 1x05 n GLY 79 N 2.08 0.96 3.44 1.21 0.00 -1.26 -4.88 105.19 106.74 1x05 n GLY 79 Ca -0.12 -1.03 -0.09 0.00 0.00 0.00 0.00 46.02 44.77 1x05 n GLY 79 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1x05 s ARG 80 N 0.00 1.31 0.00 1.61 6.06 -1.26 -4.95 118.95 121.72 1x05 s ARG 80 Ca 0.00 -1.13 0.00 0.00 -2.50 0.00 0.00 55.73 52.10 1x05 s ARG 80 Cb 0.00 0.43 0.00 0.00 0.06 0.00 0.00 34.95 35.44 1x05 s ARG 80 CO 0.00 -0.52 0.00 1.63 -2.50 0.00 0.00 175.30 173.91 1x05 n LYS 81 N -0.29 0.00 -2.63 5.12 5.02 -1.26 -4.68 118.16 119.44 1x05 n LYS 81 Ca -0.06 0.00 -0.05 0.00 -2.02 0.00 0.00 58.31 56.18 1x05 n LYS 81 Cb 0.63 0.00 0.01 0.00 -0.02 0.00 0.00 35.03 35.64 1x05 n LYS 81 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1x05 n SER 82 N 3.41 -7.15 -0.22 4.39 7.64 -1.26 -4.88 113.62 115.56 1x05 n SER 82 Ca 0.00 0.67 -0.02 0.00 1.01 0.00 0.00 58.87 60.53 1x05 n SER 82 Cb 0.00 -4.77 0.04 0.00 -1.01 0.00 0.00 64.21 58.47 1x05 n SER 82 CO 0.00 0.00 0.00 -0.08 -3.01 0.00 0.00 175.04 171.95 1x05 h GLU 83 N 1.96 -0.08 -3.58 1.43 4.57 -1.98 -3.39 114.58 113.52 1x05 h GLU 83 Ca 0.00 0.01 -0.36 0.00 -1.18 0.00 0.00 59.36 57.82 1x05 h GLU 83 Cb 0.63 0.02 -0.36 0.00 -0.16 0.00 0.00 28.75 28.88 1x05 h GLU 83 CO 0.15 -0.05 -0.75 -1.21 -1.18 0.00 0.00 179.01 175.97 1x05 s GLU 84 N -6.11 0.21 0.07 1.92 8.01 -1.26 -5.13 118.70 116.41 1x05 s GLU 84 Ca -0.14 0.18 0.05 0.00 0.01 0.00 0.00 54.97 55.07 1x05 s GLU 84 Cb 0.18 -0.56 -0.03 0.00 -4.31 0.00 0.00 34.13 29.41 1x05 s GLU 84 CO 0.72 -0.23 -0.14 -1.83 0.01 0.00 0.00 175.26 173.79 1x05 s GLU 85 N 1.55 0.84 -0.33 1.61 -1.05 -1.26 -4.69 118.70 115.36 1x05 s GLU 85 Ca -0.03 -0.95 -0.06 0.00 -0.15 0.00 0.00 54.97 53.79 1x05 s GLU 85 Cb -0.13 -0.86 0.01 0.00 -0.44 0.00 0.00 34.13 32.71 1x05 s GLU 85 CO -0.03 0.19 0.20 0.09 0.95 0.00 0.00 175.26 176.66 1x05 n ASN 86 N 1.32 -7.86 -4.33 0.83 3.02 -1.26 -4.34 115.26 102.64 1x05 n ASN 86 Ca -0.21 1.06 -0.18 0.00 -0.03 0.00 0.00 54.58 55.22 1x05 n ASN 86 Cb 0.54 -5.01 -0.10 0.00 -0.61 0.00 0.00 39.78 34.60 1x05 n ASN 86 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1x05 s LEU 87 N -1.91 1.78 -0.20 3.41 1.43 -1.26 -1.26 118.68 120.66 1x05 s LEU 87 Ca 0.09 -1.40 -0.28 0.00 -1.03 0.00 0.00 54.13 51.51 1x05 s LEU 87 Cb -0.02 -0.08 0.13 0.00 0.03 0.00 0.00 46.19 46.25 1x05 s LEU 87 CO 0.73 -0.71 1.03 0.72 0.23 0.00 0.00 176.35 178.35 1x05 s PHE 88 N -3.62 -0.39 -0.15 0.29 -0.12 -1.15 -4.05 117.98 108.79 1x05 s PHE 88 Ca 0.37 0.76 -0.08 0.00 -0.05 0.00 0.00 56.93 57.93 1x05 s PHE 88 Cb 0.08 0.43 -0.04 0.00 -0.63 0.00 0.00 43.02 42.85 1x05 s PHE 88 CO 0.14 -0.29 0.14 -2.00 -0.05 0.00 0.00 175.22 173.16 1x05 s GLU 89 N -0.68 3.71 -0.29 1.99 2.12 -0.56 -2.55 118.70 122.43 1x05 s GLU 89 Ca 0.00 -0.16 0.01 0.00 0.36 0.00 0.00 54.97 55.19 1x05 s GLU 89 Cb -0.02 -3.27 0.09 0.00 0.26 0.00 0.00 34.13 31.19 1x05 s GLU 89 CO -0.01 0.61 0.03 0.42 -0.54 0.00 0.00 175.26 175.77 1x05 s ILE 90 N -0.54 1.53 0.24 -3.70 1.01 -0.90 -1.37 121.20 117.46 1x05 s ILE 90 Ca 0.13 -1.62 -0.30 0.00 0.00 0.00 0.00 60.65 58.86 1x05 s ILE 90 Cb -0.12 -2.02 -0.09 0.00 0.01 0.00 0.00 42.46 40.25 1x05 s ILE 90 CO 0.02 -0.45 0.96 -0.63 0.00 0.00 0.00 174.94 174.83 1x05 s ILE 91 N 1.32 4.04 0.09 2.92 1.01 0.30 -3.33 121.20 127.56 1x05 s ILE 91 Ca 0.05 2.04 0.01 0.00 0.00 0.00 0.00 60.65 62.75 1x05 s ILE 91 Cb -0.18 -4.30 0.01 0.00 0.01 0.00 0.00 42.46 38.00 1x05 s ILE 91 CO -0.13 0.48 0.12 0.35 0.00 0.00 0.00 174.94 175.75 1x05 n THR 92 N 1.54 0.00 0.32 2.92 -2.24 -0.51 0.19 114.28 116.50 1x05 n THR 92 Ca -0.02 -0.31 0.15 0.00 -2.27 0.00 0.00 64.05 61.60 1x05 n THR 92 Cb 0.47 -0.83 0.55 0.00 -2.10 0.00 0.00 70.33 68.42 1x05 n THR 92 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1x05 h ALA 93 N 0.50 1.00 -0.02 6.98 0.00 -1.77 -1.60 119.26 124.34 1x05 h ALA 93 Ca -0.05 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1x05 h ALA 93 Cb 0.20 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.99 1x05 h ALA 93 CO 0.07 0.00 0.00 -0.25 0.00 0.00 0.00 179.25 179.07 1x05 n ASP 94 N -2.87 2.13 0.00 0.00 8.00 -1.26 -4.90 116.55 117.66 1x05 n ASP 94 Ca 0.02 -1.71 0.00 0.00 0.71 0.00 0.00 54.79 53.81 1x05 n ASP 94 Cb 0.33 -0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.43 1x05 n ASP 94 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1x05 n GLU 95 N 0.67 0.00 -1.74 -1.24 1.02 -0.60 -4.98 120.64 113.77 1x05 n GLU 95 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.89 1x05 n GLU 95 Cb 0.46 -2.39 -0.01 0.00 -0.02 0.00 0.00 31.44 29.47 1x05 n GLU 95 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1x05 n VAL 96 N -2.02 1.20 -4.46 2.62 0.31 -1.26 -4.57 118.33 110.15 1x05 n VAL 96 Ca 0.00 -0.30 -0.35 0.00 -0.01 0.00 0.00 64.34 63.69 1x05 n VAL 96 Cb 0.00 -1.89 -0.10 0.00 -0.91 0.00 0.00 33.84 30.94 1x05 n VAL 96 CO 0.00 0.00 0.00 -1.00 -1.32 0.00 0.00 176.83 174.51 1x05 s HIS 97 N -0.22 3.09 -0.04 3.52 3.76 -1.26 -1.43 115.29 122.71 1x05 s HIS 97 Ca 0.63 0.13 -0.01 0.00 -0.15 0.00 0.00 55.06 55.67 1x05 s HIS 97 Cb -0.51 -1.76 0.03 0.00 1.11 0.00 0.00 32.58 31.44 1x05 s HIS 97 CO 0.51 0.42 0.01 0.71 -0.85 0.00 0.00 174.74 175.55 1x05 s TYR 98 N -0.85 0.38 -0.42 1.40 2.02 -1.21 -4.95 117.35 113.72 1x05 s TYR 98 Ca 0.13 -0.00 -0.13 0.00 -0.37 0.00 0.00 57.07 56.70 1x05 s TYR 98 Cb -0.11 -0.54 0.05 0.00 -0.40 0.00 0.00 41.96 40.96 1x05 s TYR 98 CO 0.02 -0.20 0.29 -0.06 -1.57 0.00 0.00 175.55 174.03 1x05 s PHE 99 N 1.50 3.27 0.48 2.71 0.40 -1.26 -2.11 117.98 122.98 1x05 s PHE 99 Ca -0.03 -1.04 0.08 0.00 -0.60 0.00 0.00 56.93 55.35 1x05 s PHE 99 Cb -0.13 -2.81 0.04 0.00 0.51 0.00 0.00 43.02 40.62 1x05 s PHE 99 CO -0.03 -0.74 0.62 -0.51 0.70 0.00 0.00 175.22 175.26 1x05 s LEU 100 N 1.57 3.36 -0.03 -0.37 2.01 -1.06 -2.37 118.68 121.80 1x05 s LEU 100 Ca 0.03 -0.67 -0.00 0.00 0.01 0.00 0.00 54.13 53.50 1x05 s LEU 100 Cb -0.22 -2.12 0.03 0.00 0.01 0.00 0.00 46.19 43.89 1x05 s LEU 100 CO 0.06 -0.98 0.03 -1.58 1.01 0.00 0.00 176.35 174.89 1x05 s GLN 101 N -4.43 0.02 -0.02 1.70 -0.44 -1.17 -2.95 119.66 112.35 1x05 s GLN 101 Ca 0.55 0.20 -0.04 0.00 -2.50 0.00 0.00 55.36 53.58 1x05 s GLN 101 Cb -0.07 -0.34 -0.04 0.00 -1.64 0.00 0.00 33.01 30.91 1x05 s GLN 101 CO 0.34 -0.20 0.19 0.00 0.50 0.00 0.00 175.29 176.13 1x05 s ALA 102 N 1.28 3.93 0.03 1.58 0.00 -0.39 -3.49 121.76 124.70 1x05 s ALA 102 Ca -0.06 -0.71 -0.23 0.00 0.00 0.00 0.00 51.96 50.96 1x05 s ALA 102 Cb -0.13 -1.93 -0.13 0.00 0.00 0.00 0.00 23.12 20.94 1x05 s ALA 102 CO -0.03 0.71 1.26 0.00 0.00 0.00 0.00 175.76 177.70 1x05 h ALA 103 N 4.01 -1.14 -2.18 0.00 0.00 -1.89 -3.43 119.26 114.63 1x05 h ALA 103 Ca -0.50 -0.18 -0.47 0.00 0.00 0.00 0.00 54.91 53.76 1x05 h ALA 103 Cb 1.19 0.32 0.03 0.00 0.00 0.00 0.00 17.79 19.33 1x05 h ALA 103 CO 0.67 -1.08 -0.07 0.95 0.00 0.00 0.00 179.25 179.72 1x05 s THR 104 N -4.65 4.52 -1.08 0.00 -4.23 -1.26 -4.98 115.64 103.96 1x05 s THR 104 Ca -0.12 -0.32 0.22 0.00 -1.18 0.00 0.00 61.69 60.29 1x05 s THR 104 Cb 0.01 -3.68 0.22 0.00 1.34 0.00 0.00 72.50 70.39 1x05 s THR 104 CO 0.36 -0.52 1.71 -0.81 -0.54 0.00 0.00 174.62 174.82 1x05 n PRO 105 N -2.05 0.06 -0.01 3.99 -0.04 -1.26 -2.64 135.00 133.05 1x05 n PRO 105 Ca -0.01 0.11 -0.13 0.00 -0.04 0.00 0.00 63.50 63.43 1x05 n PRO 105 Cb 0.57 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.39 1x05 n PRO 105 CO 0.00 0.00 0.00 1.17 -0.04 0.00 0.00 175.50 176.63 1x05 n LYS 106 N -1.46 0.68 -0.11 0.54 3.00 -1.26 -4.01 118.16 115.54 1x05 n LYS 106 Ca 0.06 0.28 -0.11 0.00 -0.00 0.00 0.00 58.31 58.54 1x05 n LYS 106 Cb 0.24 -1.75 -0.03 0.00 0.00 0.00 0.00 35.03 33.49 1x05 n LYS 106 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.40 178.89 1x05 h GLU 107 N 0.03 0.55 -0.66 1.64 4.81 -1.90 0.36 114.58 119.41 1x05 h GLU 107 Ca -0.34 -0.16 0.14 0.00 -0.13 0.00 0.00 59.36 58.86 1x05 h GLU 107 Cb 2.03 -0.06 -0.11 0.00 0.63 0.00 0.00 28.75 31.24 1x05 h GLU 107 CO 0.08 0.66 0.04 -0.09 -0.73 0.00 0.00 179.01 178.97 1x05 h ARG 108 N 0.36 0.14 0.13 1.92 2.43 -1.69 0.73 114.38 118.41 1x05 h ARG 108 Ca 0.09 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1x05 h ARG 108 Cb 0.39 -0.03 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 1x05 h ARG 108 CO 0.01 0.09 -0.06 1.15 -1.51 0.00 0.00 179.97 179.65 1x05 h THR 109 N 0.15 1.04 -0.41 0.20 2.02 -1.66 -2.87 112.91 111.39 1x05 h THR 109 Ca 0.35 -1.05 0.08 0.00 0.77 0.00 0.00 66.41 66.56 1x05 h THR 109 Cb 0.58 1.66 -0.09 0.00 -1.74 0.00 0.00 68.15 68.56 1x05 h THR 109 CO -0.54 0.24 -0.28 -0.33 0.37 0.00 0.00 175.52 174.97 1x05 h GLU 110 N -0.70 -0.20 -0.21 6.66 5.08 -0.18 -0.91 114.58 124.11 1x05 h GLU 110 Ca -0.02 0.01 0.03 0.00 -1.00 0.00 0.00 59.36 58.39 1x05 h GLU 110 Cb 0.52 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 29.76 1x05 h GLU 110 CO 0.03 -0.14 -0.44 -1.49 -1.00 0.00 0.00 179.01 175.98 1x05 h TRP 111 N -0.21 -1.32 -0.38 4.33 -0.00 0.40 1.64 115.95 120.41 1x05 h TRP 111 Ca 0.19 0.06 0.03 0.00 -0.00 0.00 0.00 58.89 59.17 1x05 h TRP 111 Cb 0.51 0.60 -0.05 0.00 -0.00 0.00 0.00 29.16 30.23 1x05 h TRP 111 CO -0.51 -0.41 -0.22 -0.89 -0.00 0.00 0.00 178.44 176.41 1x05 n ILE 112 N -4.81 -0.26 -0.30 1.49 5.41 -0.62 0.15 119.36 120.42 1x05 n ILE 112 Ca -0.04 1.84 0.14 0.00 1.00 0.00 0.00 62.75 65.68 1x05 n ILE 112 Cb 0.28 -2.36 0.38 0.00 -0.71 0.00 0.00 39.64 37.24 1x05 n ILE 112 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1x05 h LYS 113 N 0.00 0.65 0.50 0.38 1.57 -0.45 0.33 116.57 119.55 1x05 h LYS 113 Ca 0.06 -0.04 -0.01 0.00 -1.87 0.00 0.00 60.65 58.79 1x05 h LYS 113 Cb 0.16 -0.15 -0.01 0.00 0.08 0.00 0.00 32.23 32.30 1x05 h LYS 113 CO -0.36 0.43 -0.38 0.00 -0.57 0.00 0.00 179.45 178.58 1x05 h ALA 114 N 1.61 -0.89 -0.55 3.86 0.00 1.16 0.66 119.26 125.10 1x05 h ALA 114 Ca 0.50 -0.16 0.03 0.00 0.00 0.00 0.00 54.91 55.28 1x05 h ALA 114 Cb 0.88 0.50 -0.04 0.00 0.00 0.00 0.00 17.79 19.13 1x05 h ALA 114 CO -0.26 -1.03 0.32 0.82 0.00 0.00 0.00 179.25 179.10 1x05 h ILE 115 N -0.86 1.03 -0.20 0.00 5.03 0.20 -2.21 117.51 120.50 1x05 h ILE 115 Ca -0.05 -0.21 0.04 0.00 -0.12 0.00 0.00 64.86 64.52 1x05 h ILE 115 Cb 0.73 0.35 -0.04 0.00 -3.03 0.00 0.00 36.82 34.83 1x05 h ILE 115 CO 0.01 0.11 -0.07 1.56 -0.68 0.00 0.00 178.15 179.08 1x05 h GLN 116 N 0.62 -0.03 -0.78 2.37 4.20 0.03 0.75 115.11 122.28 1x05 h GLN 116 Ca 0.23 0.00 0.16 0.00 0.06 0.00 0.00 58.65 59.10 1x05 h GLN 116 Cb 0.06 0.01 -0.10 0.00 0.30 0.00 0.00 27.48 27.75 1x05 h GLN 116 CO -0.12 -0.02 0.30 1.98 -0.67 0.00 0.00 178.83 180.30 1x05 h MET 117 N -0.03 0.40 0.30 1.46 1.85 0.89 0.92 114.93 120.72 1x05 h MET 117 Ca 0.10 -0.02 -0.01 0.00 -0.61 0.00 0.00 59.70 59.15 1x05 h MET 117 Cb 0.18 -0.09 0.00 0.00 0.43 0.00 0.00 31.60 32.13 1x05 h MET 117 CO -0.22 0.26 -0.15 0.00 -0.40 0.00 0.00 176.91 176.41 1x05 h ALA 118 N 1.59 -0.41 -1.13 0.39 0.00 -0.77 -3.16 119.26 115.78 1x05 h ALA 118 Ca 0.44 -0.15 0.32 0.00 0.00 0.00 0.00 54.91 55.51 1x05 h ALA 118 Cb 0.72 0.16 -0.07 0.00 0.00 0.00 0.00 17.79 18.60 1x05 h ALA 118 CO -0.45 -0.42 0.78 0.66 0.00 0.00 0.00 179.25 179.83 1x05 h SER 119 N -1.03 0.17 -0.03 0.00 4.64 0.97 1.37 113.55 119.63 1x05 h SER 119 Ca -0.04 0.03 0.01 0.00 -0.47 0.00 0.00 61.79 61.32 1x05 h SER 119 Cb 0.44 0.01 -0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1x05 h SER 119 CO 0.07 0.02 0.03 0.03 -0.87 0.00 0.00 176.83 176.11 1x05 h ARG 120 N 0.14 0.00 0.00 4.77 2.47 0.90 -3.44 114.38 119.22 1x05 h ARG 120 Ca 0.58 0.00 0.00 0.00 -1.26 0.00 0.00 59.98 59.30 1x05 h ARG 120 Cb 1.99 0.00 0.00 0.00 -1.65 0.00 0.00 29.97 30.31 1x05 h ARG 120 CO -0.13 0.00 0.00 0.25 0.56 0.00 0.00 179.97 180.65 1x05 n THR 121 N -4.39 0.00 -1.95 2.04 -2.24 0.47 -4.45 114.28 103.76 1x05 n THR 121 Ca -0.02 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 61.81 1x05 n THR 121 Cb 0.12 0.00 0.13 0.00 -2.10 0.00 0.00 70.33 68.48 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1x05 n GLY 122 N 0.00 3.40 1.33 3.38 0.00 -1.26 -5.02 105.19 107.02 1x05 n GLY 122 Ca 0.00 -1.10 0.12 0.00 0.00 0.00 0.00 46.02 45.04 1x05 n GLY 122 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1x05 n LYS 123 N -0.46 -1.74 -2.78 1.61 3.00 -1.26 -5.01 118.16 111.52 1x05 n LYS 123 Ca 0.13 1.15 -0.04 0.00 -0.00 0.00 0.00 58.31 59.55 1x05 n LYS 123 Cb 0.87 -2.12 -0.03 0.00 0.00 0.00 0.00 35.03 33.75 1x05 n LYS 123 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.40 177.83 1x05 n SER 124 N -2.97 -3.15 0.00 3.14 7.64 -1.26 -5.04 113.62 111.98 1x05 n SER 124 Ca 0.01 1.21 0.00 0.00 1.01 0.00 0.00 58.87 61.09 1x05 n SER 124 Cb 0.39 -3.96 0.00 0.00 -1.01 0.00 0.00 64.21 59.64 1x05 n SER 124 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 125 N 1.96 1.58 3.56 0.23 0.00 -1.26 -5.08 105.19 106.18 1x05 n GLY 125 Ca -0.26 -0.62 -0.35 0.00 0.00 0.00 0.00 46.02 44.79 1x05 n GLY 125 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1x05 s PRO 126 N 1.11 3.05 0.00 1.61 0.04 -1.26 -4.49 135.00 135.06 1x05 s PRO 126 Ca 0.00 -0.54 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1x05 s PRO 126 Cb 0.00 -5.03 0.00 0.00 0.04 0.00 0.00 34.50 29.51 1x05 s PRO 126 CO 0.00 -2.71 0.00 0.45 0.04 0.00 0.00 177.00 174.78 1x05 n SER 127 N 11.30 0.00 -2.00 6.66 2.88 -1.26 -4.81 113.62 126.38 1x05 n SER 127 Ca 0.32 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.86 1x05 n SER 127 Cb 0.49 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.95 1x05 n SER 127 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1x05 n SER 128 N 2.94 -8.20 0.00 -3.46 7.64 -1.26 -5.01 113.62 106.27 1x05 n SER 128 Ca 0.00 1.39 0.00 0.00 1.01 0.00 0.00 58.87 61.27 1x05 n SER 128 Cb 0.00 -4.52 0.00 0.00 -1.01 0.00 0.00 64.21 58.68 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64