#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1x05 n SER 2 N 0.00 -2.68 0.14 1.61 7.64 -1.26 -5.05 113.62 114.02 1x05 n SER 2 Ca 0.00 0.69 0.00 0.00 1.01 0.00 0.00 58.87 60.57 1x05 n SER 2 Cb 0.00 2.65 0.00 0.00 -1.01 0.00 0.00 64.21 65.85 1x05 n SER 2 CO 0.00 0.00 0.00 -1.20 -3.01 0.00 0.00 175.04 170.83 1x05 n SER 3 N -3.19 -0.98 -4.17 6.43 7.64 -1.26 -5.08 113.62 113.00 1x05 n SER 3 Ca 0.00 0.50 -0.60 0.00 1.01 0.00 0.00 58.87 59.78 1x05 n SER 3 Cb 0.00 1.09 -0.09 0.00 -1.01 0.00 0.00 64.21 64.20 1x05 n SER 3 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1x05 n GLY 4 N 0.78 0.15 3.39 0.23 0.00 -1.26 -4.91 105.19 103.57 1x05 n GLY 4 Ca 0.00 0.90 -0.10 0.00 0.00 0.00 0.00 46.02 46.82 1x05 n GLY 4 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1x05 s SER 5 N 2.82 0.03 0.87 1.61 0.01 -1.26 -4.71 113.70 113.07 1x05 s SER 5 Ca 0.94 -1.12 -0.11 0.00 1.31 0.00 0.00 55.95 56.97 1x05 s SER 5 Cb -1.33 0.48 0.12 0.00 0.21 0.00 0.00 66.02 65.50 1x05 s SER 5 CO 0.72 -0.98 1.15 -0.44 0.41 0.00 0.00 173.24 174.10 1x05 s SER 6 N -3.07 3.29 0.00 2.44 0.01 -1.26 -4.98 113.70 110.13 1x05 s SER 6 Ca 0.29 2.17 0.00 0.00 1.31 0.00 0.00 55.95 59.72 1x05 s SER 6 Cb 0.03 -2.56 0.00 0.00 0.21 0.00 0.00 66.02 63.70 1x05 s SER 6 CO 0.09 -2.86 0.00 0.61 0.41 0.00 0.00 173.24 171.49 1x05 n GLY 7 N 0.05 -0.70 3.67 3.44 0.00 -1.26 -5.16 105.19 105.23 1x05 n GLY 7 Ca 0.12 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.44 1x05 n GLY 7 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1x05 s VAL 8 N -3.75 3.71 0.59 1.61 1.01 -1.26 -5.09 120.40 117.21 1x05 s VAL 8 Ca 0.00 -1.55 -0.18 0.00 0.00 0.00 0.00 61.98 60.25 1x05 s VAL 8 Cb 0.00 -2.91 -0.07 0.00 0.00 0.00 0.00 36.38 33.41 1x05 s VAL 8 CO 0.00 -0.20 0.69 -0.38 0.00 0.00 0.00 175.10 175.21 1x05 n ILE 9 N -0.40 2.85 -3.82 2.22 2.08 -1.26 -4.99 119.36 116.03 1x05 n ILE 9 Ca -0.09 -0.50 -0.26 0.00 0.56 0.00 0.00 62.75 62.47 1x05 n ILE 9 Cb 0.56 -0.86 -0.17 0.00 -0.75 0.00 0.00 39.64 38.43 1x05 n ILE 9 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1x05 s LEU 10 N -0.37 1.01 1.03 1.39 1.98 -1.26 -5.13 118.68 117.33 1x05 s LEU 10 Ca 0.72 -0.35 -0.15 0.00 -2.89 0.00 0.00 54.13 51.46 1x05 s LEU 10 Cb -0.43 -0.65 0.16 0.00 0.66 0.00 0.00 46.19 45.93 1x05 s LEU 10 CO 0.51 -0.19 0.26 0.29 -1.89 0.00 0.00 176.35 175.33 1x05 n LYS 11 N 5.03 -2.22 -0.01 1.98 5.02 -1.26 -4.93 118.16 121.77 1x05 n LYS 11 Ca -0.10 -0.65 0.10 0.00 -2.02 0.00 0.00 58.31 55.64 1x05 n LYS 11 Cb 0.49 -1.50 -0.14 0.00 -0.02 0.00 0.00 35.03 33.86 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 -1.81 0.63 0.00 1.97 1.02 -1.26 -4.17 120.64 117.01 1x05 n GLU 12 Ca 0.05 -0.14 0.12 0.00 -0.02 0.00 0.00 57.16 57.17 1x05 n GLU 12 Cb 0.40 -1.45 0.28 0.00 -0.02 0.00 0.00 31.44 30.65 1x05 n GLU 12 CO 0.00 0.00 0.00 -0.85 1.18 0.00 0.00 177.13 177.46 1x05 n GLU 13 N -2.02 0.00 -2.38 3.49 0.00 -1.26 -3.99 120.64 114.48 1x05 n GLU 13 Ca -0.02 0.00 -0.19 0.00 0.00 0.00 0.00 57.16 56.95 1x05 n GLU 13 Cb 0.46 -1.50 0.02 0.00 0.00 0.00 0.00 31.44 30.42 1x05 n GLU 13 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.13 178.32 1x05 n PHE 14 N -1.51 2.48 -0.21 -1.84 3.72 -1.26 -4.65 117.46 114.19 1x05 n PHE 14 Ca 0.06 -2.55 0.00 0.00 -0.05 0.00 0.00 57.45 54.91 1x05 n PHE 14 Cb 0.34 -0.25 0.00 0.00 -0.94 0.00 0.00 39.48 38.63 1x05 n PHE 14 CO 0.00 0.00 0.00 2.89 -0.05 0.00 0.00 176.76 179.60 1x05 n ARG 15 N -0.54 -0.13 0.00 -1.08 -4.01 -1.26 -4.74 116.66 104.90 1x05 n ARG 15 Ca 0.31 -0.58 0.00 0.00 -1.04 0.00 0.00 57.85 56.55 1x05 n ARG 15 Cb 0.83 -0.89 0.00 0.00 -3.04 0.00 0.00 32.46 29.36 1x05 n ARG 15 CO 0.00 0.00 0.00 0.41 -3.04 0.00 0.00 177.63 175.00 1x05 n GLY 16 N -0.08 1.48 3.32 2.89 0.00 -1.25 -4.92 105.19 106.63 1x05 n GLY 16 Ca 0.00 -1.70 -0.13 0.00 0.00 0.00 0.00 46.02 44.19 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 1.89 0.00 0.20 1.61 0.11 -1.25 -5.01 120.40 117.96 1x05 s VAL 17 Ca 0.00 -1.84 0.01 0.00 -2.93 0.00 0.00 61.98 57.22 1x05 s VAL 17 Cb 0.00 -2.45 -0.04 0.00 -1.53 0.00 0.00 36.38 32.36 1x05 s VAL 17 CO 0.00 0.00 0.38 -0.63 -3.33 0.00 0.00 175.10 171.52 1x05 s ILE 18 N -3.94 5.23 0.00 7.04 -1.09 -1.26 -3.00 121.20 124.17 1x05 s ILE 18 Ca 0.35 -0.49 0.00 0.00 -2.23 0.00 0.00 60.65 58.28 1x05 s ILE 18 Cb 0.04 -3.75 0.00 0.00 -1.58 0.00 0.00 42.46 37.17 1x05 s ILE 18 CO 0.14 -0.20 0.00 2.30 -1.23 0.00 0.00 174.94 175.95 1x05 n ILE 19 N -0.78 0.00 -3.73 2.92 -0.00 -1.07 -4.90 119.36 111.79 1x05 n ILE 19 Ca -0.06 0.00 -0.13 0.00 -0.00 0.00 0.00 62.75 62.56 1x05 n ILE 19 Cb 0.54 -0.59 -0.10 0.00 -0.00 0.00 0.00 39.64 39.50 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 -1.82 0.53 -0.03 6.28 2.20 -1.26 -5.08 119.74 120.57 1x05 s LYS 20 Ca 0.00 0.38 -0.03 0.00 -0.36 0.00 0.00 55.97 55.96 1x05 s LYS 20 Cb 0.00 0.25 0.01 0.00 -1.51 0.00 0.00 37.83 36.58 1x05 s LYS 20 CO 0.00 -0.09 0.08 -0.65 -0.36 0.00 0.00 175.35 174.33 1x05 s GLN 21 N -0.18 0.14 -0.03 4.03 -0.21 -1.26 -2.45 119.66 119.70 1x05 s GLN 21 Ca -0.03 0.03 -0.10 0.00 0.02 0.00 0.00 55.36 55.27 1x05 s GLN 21 Cb -0.03 0.06 0.03 0.00 1.00 0.00 0.00 33.01 34.07 1x05 s GLN 21 CO 0.02 -0.02 0.45 0.41 -2.12 0.00 0.00 175.29 174.03 1x05 n GLY 22 N 2.82 0.32 3.53 3.09 0.00 -1.18 -5.05 105.19 108.71 1x05 n GLY 22 Ca -0.14 -0.88 -0.34 0.00 0.00 0.00 0.00 46.02 44.67 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 0.36 2.50 -0.53 0.00 1.43 0.53 -4.83 118.68 118.13 1x05 s LEU 24 Ca -0.03 -0.93 -0.16 0.00 -1.03 0.00 0.00 54.13 51.98 1x05 s LEU 24 Cb -0.14 -0.93 0.12 0.00 0.03 0.00 0.00 46.19 45.27 1x05 s LEU 24 CO 0.02 -0.01 0.48 -0.76 0.23 0.00 0.00 176.35 176.31 1x05 s LEU 25 N -2.99 6.08 -0.32 1.79 2.01 -1.25 0.81 118.68 124.81 1x05 s LEU 25 Ca 0.21 -1.71 -0.22 0.00 0.01 0.00 0.00 54.13 52.42 1x05 s LEU 25 Cb -0.05 -2.20 -0.00 0.00 0.01 0.00 0.00 46.19 43.95 1x05 s LEU 25 CO 0.09 -0.82 0.73 -0.75 1.01 0.00 0.00 176.35 176.62 1x05 s LYS 26 N 1.60 3.88 1.19 1.70 2.20 -1.16 -2.91 119.74 126.24 1x05 s LYS 26 Ca 0.03 0.41 -0.18 0.00 -0.36 0.00 0.00 55.97 55.87 1x05 s LYS 26 Cb -0.29 -3.75 0.28 0.00 -1.51 0.00 0.00 37.83 32.56 1x05 s LYS 26 CO 0.04 -0.69 1.08 -1.14 -0.36 0.00 0.00 175.35 174.28 1x05 s GLN 27 N 2.87 -1.10 0.00 4.03 0.74 -1.17 -4.18 119.66 120.86 1x05 s GLN 27 Ca 0.29 0.10 0.00 0.00 0.05 0.00 0.00 55.36 55.80 1x05 s GLN 27 Cb -0.14 -1.60 0.00 0.00 1.10 0.00 0.00 33.01 32.37 1x05 s GLN 27 CO 0.13 -3.66 0.00 0.41 -0.55 0.00 0.00 175.29 171.62 1x05 n GLY 28 N -0.66 0.37 1.32 2.59 0.00 -1.26 -4.97 105.19 102.58 1x05 n GLY 28 Ca 0.11 -0.52 -0.11 0.00 0.00 0.00 0.00 46.02 45.50 1x05 n GLY 28 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1x05 n HIS 29 N -0.40 0.19 0.05 1.61 -0.00 -1.26 -5.05 115.22 110.37 1x05 n HIS 29 Ca 0.00 -0.98 -0.00 0.00 0.46 0.00 0.00 57.72 57.19 1x05 n HIS 29 Cb 0.20 -0.05 -0.07 0.00 -0.12 0.00 0.00 29.99 29.95 1x05 n HIS 29 CO 0.00 0.00 0.00 0.07 0.46 0.00 0.00 176.34 176.87 1x05 h ARG 30 N 0.00 0.00 0.00 1.57 -0.00 -2.00 -3.50 114.38 110.45 1x05 h ARG 30 Ca -0.14 0.00 0.00 0.00 -0.00 0.00 0.00 59.98 59.84 1x05 h ARG 30 Cb 0.47 0.00 0.00 0.00 -0.00 0.00 0.00 29.97 30.44 1x05 h ARG 30 CO 0.22 0.38 0.00 -2.13 -0.00 0.00 0.00 179.97 178.44 1x05 n ARG 31 N -2.99 -0.60 -1.31 0.08 0.63 -1.26 -5.17 116.66 106.04 1x05 n ARG 31 Ca -0.07 0.00 0.16 0.00 -0.92 0.00 0.00 57.85 57.02 1x05 n ARG 31 Cb 0.84 0.00 -0.06 0.00 0.45 0.00 0.00 32.46 33.69 1x05 n ARG 31 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1x05 n LYS 32 N 0.00 -2.66 -0.18 -0.14 4.01 -1.26 -4.82 118.16 113.12 1x05 n LYS 32 Ca 0.00 1.98 -0.09 0.00 -0.51 0.00 0.00 58.31 59.68 1x05 n LYS 32 Cb 0.00 -3.25 0.09 0.00 -0.51 0.00 0.00 35.03 31.36 1x05 n LYS 32 CO 0.00 0.00 0.00 0.09 -1.11 0.00 0.00 177.40 176.38 1x05 n ASN 33 N -4.30 -2.32 -4.60 4.39 3.02 -1.26 -4.93 115.26 105.25 1x05 n ASN 33 Ca -0.03 -0.27 -0.29 0.00 -0.03 0.00 0.00 54.58 53.96 1x05 n ASN 33 Cb 0.66 -0.38 0.20 0.00 -0.61 0.00 0.00 39.78 39.65 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 -1.31 1.78 -0.19 3.10 0.52 -1.26 -5.00 118.94 116.59 1x05 s TRP 34 Ca 0.21 1.14 -0.01 0.00 0.02 0.00 0.00 56.10 57.46 1x05 s TRP 34 Cb -0.04 -3.18 0.00 0.00 -1.15 0.00 0.00 33.47 29.10 1x05 s TRP 34 CO 0.17 -3.26 -0.13 0.21 0.02 0.00 0.00 176.95 173.96 1x05 s LYS 35 N -4.73 3.18 0.33 4.98 2.20 -1.26 -5.04 119.74 119.40 1x05 s LYS 35 Ca 0.66 -0.74 -0.29 0.00 -0.36 0.00 0.00 55.97 55.25 1x05 s LYS 35 Cb -0.21 -2.73 -0.11 0.00 -1.51 0.00 0.00 37.83 33.27 1x05 s LYS 35 CO 0.60 -0.14 1.44 0.08 -0.36 0.00 0.00 175.35 176.97 1x05 s VAL 36 N 1.22 2.34 -0.12 4.02 1.01 -1.26 -2.97 120.40 124.64 1x05 s VAL 36 Ca 0.02 0.32 -0.10 0.00 0.00 0.00 0.00 61.98 62.23 1x05 s VAL 36 Cb -0.14 -3.20 0.03 0.00 0.00 0.00 0.00 36.38 33.07 1x05 s VAL 36 CO -0.06 0.07 0.30 -0.13 0.00 0.00 0.00 175.10 175.28 1x05 s ARG 37 N -1.51 0.34 -0.14 2.72 1.81 0.24 -4.72 118.95 117.69 1x05 s ARG 37 Ca 0.54 0.45 -0.29 0.00 -1.72 0.00 0.00 55.73 54.71 1x05 s ARG 37 Cb -0.44 0.14 -0.01 0.00 -0.45 0.00 0.00 34.95 34.19 1x05 s ARG 37 CO 0.55 -0.06 0.99 0.21 -0.68 0.00 0.00 175.30 176.31 1x05 s LYS 38 N 0.31 4.37 -0.23 3.54 2.20 -0.83 0.20 119.74 129.31 1x05 s LYS 38 Ca -0.01 1.33 -0.00 0.00 -0.36 0.00 0.00 55.97 56.92 1x05 s LYS 38 Cb -0.03 -3.57 0.03 0.00 -1.51 0.00 0.00 37.83 32.75 1x05 s LYS 38 CO -0.01 -0.38 -0.11 -0.06 -0.36 0.00 0.00 175.35 174.43 1x05 s PHE 39 N 2.28 2.99 -0.18 4.03 0.40 0.20 -0.71 117.98 126.99 1x05 s PHE 39 Ca 0.46 -1.62 -0.04 0.00 -0.60 0.00 0.00 56.93 55.12 1x05 s PHE 39 Cb -0.17 -2.00 -0.03 0.00 0.51 0.00 0.00 43.02 41.33 1x05 s PHE 39 CO 0.15 -0.76 -0.02 0.42 0.70 0.00 0.00 175.22 175.71 1x05 s ILE 40 N 1.30 3.97 -0.08 0.64 1.01 0.08 -3.12 121.20 125.00 1x05 s ILE 40 Ca 0.01 -0.32 -0.01 0.00 0.00 0.00 0.00 60.65 60.33 1x05 s ILE 40 Cb -0.16 -2.76 -0.03 0.00 0.01 0.00 0.00 42.46 39.52 1x05 s ILE 40 CO -0.07 0.46 -0.02 -0.22 0.00 0.00 0.00 174.94 175.09 1x05 s LEU 41 N 0.62 3.45 -0.02 2.97 2.96 -1.02 -0.47 118.68 127.17 1x05 s LEU 41 Ca -0.01 0.09 0.00 0.00 -0.22 0.00 0.00 54.13 53.99 1x05 s LEU 41 Cb -0.14 -1.78 0.03 0.00 0.50 0.00 0.00 46.19 44.79 1x05 s LEU 41 CO 0.02 0.37 0.02 0.00 -1.32 0.00 0.00 176.35 175.44 1x05 s ARG 42 N -0.81 0.08 -0.11 1.98 3.03 -0.61 -2.60 118.95 119.90 1x05 s ARG 42 Ca 0.12 0.14 -0.05 0.00 2.03 0.00 0.00 55.73 57.98 1x05 s ARG 42 Cb -0.11 -0.31 -0.04 0.00 -1.03 0.00 0.00 34.95 33.46 1x05 s ARG 42 CO 0.02 -0.15 0.07 -1.83 -1.13 0.00 0.00 175.30 172.29 1x05 s GLU 43 N 1.00 3.31 -0.50 3.89 -1.05 -1.16 -1.07 118.70 123.12 1x05 s GLU 43 Ca -0.09 -0.27 -0.18 0.00 -0.15 0.00 0.00 54.97 54.29 1x05 s GLU 43 Cb -0.13 -3.03 0.02 0.00 -0.44 0.00 0.00 34.13 30.56 1x05 s GLU 43 CO -0.02 0.69 0.63 -3.47 0.95 0.00 0.00 175.26 174.04 1x05 n ASP 44 N 2.22 -7.28 -4.57 0.83 -0.08 -1.26 -3.87 116.55 102.53 1x05 n ASP 44 Ca -0.19 0.23 -0.29 0.00 -1.51 0.00 0.00 54.79 53.03 1x05 n ASP 44 Cb 0.54 -4.43 0.16 0.00 2.34 0.00 0.00 41.12 39.72 1x05 n ASP 44 CO 0.00 0.00 0.00 -2.16 0.12 0.00 0.00 177.20 175.16 1x05 s PRO 45 N -2.76 0.77 -0.66 -0.67 0.04 -1.26 -3.90 135.00 126.57 1x05 s PRO 45 Ca 0.23 0.15 -0.15 0.00 0.04 0.00 0.00 61.00 61.27 1x05 s PRO 45 Cb -0.05 -1.81 0.17 0.00 0.04 0.00 0.00 34.50 32.85 1x05 s PRO 45 CO 0.80 -2.42 0.61 0.00 0.04 0.00 0.00 177.00 176.02 1x05 s ALA 46 N -3.33 3.82 0.19 8.56 0.00 -1.24 -4.68 121.76 125.08 1x05 s ALA 46 Ca 0.66 -2.89 -0.03 0.00 0.00 0.00 0.00 51.96 49.70 1x05 s ALA 46 Cb -0.13 -3.34 -0.03 0.00 0.00 0.00 0.00 23.12 19.62 1x05 s ALA 46 CO 0.54 -2.13 0.17 0.71 0.00 0.00 0.00 175.76 175.05 1x05 s TYR 47 N 0.95 0.91 -0.20 0.00 2.02 -0.23 -1.74 117.35 119.06 1x05 s TYR 47 Ca 0.10 -1.20 -0.02 0.00 -0.37 0.00 0.00 57.07 55.57 1x05 s TYR 47 Cb -0.21 -0.40 0.06 0.00 -0.40 0.00 0.00 41.96 41.01 1x05 s TYR 47 CO -0.02 -0.66 0.02 -1.17 -1.57 0.00 0.00 175.55 172.14 1x05 s LEU 48 N -3.10 1.41 -0.29 -1.29 1.98 -1.08 -1.57 118.68 114.75 1x05 s LEU 48 Ca 0.31 -0.87 -0.08 0.00 -2.89 0.00 0.00 54.13 50.61 1x05 s LEU 48 Cb 0.06 -0.69 -0.00 0.00 0.66 0.00 0.00 46.19 46.21 1x05 s LEU 48 CO 0.08 -0.29 0.10 -1.00 -1.89 0.00 0.00 176.35 173.35 1x05 s HIS 49 N 1.78 3.14 -0.25 5.38 3.76 0.38 -1.38 115.29 128.10 1x05 s HIS 49 Ca -0.02 -0.74 -0.07 0.00 -0.15 0.00 0.00 55.06 54.08 1x05 s HIS 49 Cb -0.17 -2.29 -0.03 0.00 1.11 0.00 0.00 32.58 31.20 1x05 s HIS 49 CO -0.08 -0.50 0.07 1.52 -0.85 0.00 0.00 174.74 174.91 1x05 s TYR 50 N 1.56 3.08 0.16 1.40 1.13 -1.25 -0.74 117.35 122.68 1x05 s TYR 50 Ca 0.04 -0.43 0.06 0.00 -1.41 0.00 0.00 57.07 55.34 1x05 s TYR 50 Cb -0.17 -2.24 -0.04 0.00 -1.10 0.00 0.00 41.96 38.41 1x05 s TYR 50 CO 0.04 -0.36 0.02 0.71 -2.51 0.00 0.00 175.55 173.45 1x05 s TYR 51 N 1.61 2.92 0.14 -3.49 1.51 0.11 -1.99 117.35 118.17 1x05 s TYR 51 Ca 0.06 -0.10 -0.31 0.00 -1.01 0.00 0.00 57.07 55.72 1x05 s TYR 51 Cb -0.15 -1.43 -0.09 0.00 -0.11 0.00 0.00 41.96 40.18 1x05 s TYR 51 CO 0.04 0.51 1.47 0.34 -1.11 0.00 0.00 175.55 176.80 1x05 s ASP 52 N -2.86 6.71 0.00 2.29 2.15 -1.25 -1.97 116.67 121.75 1x05 s ASP 52 Ca 0.28 2.47 0.23 0.00 0.43 0.00 0.00 52.55 55.95 1x05 s ASP 52 Cb -0.10 -2.59 1.18 0.00 -0.30 0.00 0.00 42.92 41.11 1x05 s ASP 52 CO 0.19 -0.73 1.75 -0.81 -0.17 0.00 0.00 175.17 175.40 1x05 n PRO 53 N 3.87 0.37 0.00 4.34 -0.04 -1.26 -1.90 135.00 140.38 1x05 n PRO 53 Ca 0.12 0.06 0.12 0.00 -0.04 0.00 0.00 63.50 63.77 1x05 n PRO 53 Cb 0.41 -1.50 0.15 0.00 -0.04 0.00 0.00 33.50 32.52 1x05 n PRO 53 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1x05 n ALA 54 N -1.25 3.25 0.00 0.55 0.00 -1.26 -5.05 120.51 116.75 1x05 n ALA 54 Ca 0.11 -0.57 0.00 0.00 0.00 0.00 0.00 53.44 52.99 1x05 n ALA 54 Cb 0.17 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.70 1x05 n ALA 54 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1x05 n GLY 55 N 1.38 0.65 5.00 0.00 0.00 -0.80 -5.03 105.19 106.38 1x05 n GLY 55 Ca 0.11 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.32 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 -1.00 0.00 0.00 4.61 0.00 -1.26 -3.78 120.51 119.08 1x05 n ALA 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1x05 n ALA 56 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -2.31 0.00 2.13 -1.26 -4.94 120.64 114.25 1x05 n GLU 57 Ca 0.00 0.00 -0.33 0.00 0.66 0.00 0.00 57.16 57.49 1x05 n GLU 57 Cb 0.00 0.00 -0.02 0.00 0.27 0.00 0.00 31.44 31.69 1x05 n GLU 57 CO 0.00 0.00 0.00 0.16 -0.41 0.00 0.00 177.13 176.88 1x05 s ASP 58 N 0.00 6.17 -0.29 4.31 -4.77 -1.26 -4.96 116.67 115.87 1x05 s ASP 58 Ca 0.00 1.81 -0.29 0.00 -3.30 0.00 0.00 52.55 50.77 1x05 s ASP 58 Cb 0.00 -2.54 -0.00 0.00 -1.09 0.00 0.00 42.92 39.29 1x05 s ASP 58 CO 0.00 -0.90 1.34 -2.16 0.70 0.00 0.00 175.17 174.15 1x05 s PRO 59 N -3.73 3.91 0.46 2.11 0.04 -1.26 -4.54 135.00 131.99 1x05 s PRO 59 Ca 0.64 1.31 0.30 0.00 0.04 0.00 0.00 61.00 63.29 1x05 s PRO 59 Cb -0.15 -3.90 1.39 0.00 0.04 0.00 0.00 34.50 31.89 1x05 s PRO 59 CO 0.29 -1.13 1.70 -0.07 0.04 0.00 0.00 177.00 177.82 1x05 h LEU 60 N 10.96 0.22 0.00 -3.56 3.38 -1.78 -3.45 115.31 121.08 1x05 h LEU 60 Ca -0.27 0.08 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1x05 h LEU 60 Cb 1.10 0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1x05 h LEU 60 CO 1.03 -0.04 0.00 0.61 0.09 0.00 0.00 178.44 180.12 1x05 n GLY 61 N -1.60 1.76 3.40 0.83 0.00 -1.26 -5.08 105.19 103.24 1x05 n GLY 61 Ca 0.32 -0.50 -0.13 0.00 0.00 0.00 0.00 46.02 45.71 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 -1.37 -0.24 4.61 0.00 -1.26 -3.96 121.76 118.54 1x05 s ALA 62 Ca 0.00 0.50 -0.00 0.00 0.00 0.00 0.00 51.96 52.46 1x05 s ALA 62 Cb 0.00 0.56 0.07 0.00 0.00 0.00 0.00 23.12 23.75 1x05 s ALA 62 CO 0.00 -0.60 -0.01 0.42 0.00 0.00 0.00 175.76 175.58 1x05 s ILE 63 N -2.98 1.23 0.20 0.00 1.01 -0.48 -4.95 121.20 115.23 1x05 s ILE 63 Ca -0.02 -1.13 -0.32 0.00 0.00 0.00 0.00 60.65 59.17 1x05 s ILE 63 Cb -0.00 -1.63 -0.14 0.00 0.01 0.00 0.00 42.46 40.69 1x05 s ILE 63 CO -0.06 -0.23 1.37 1.57 0.00 0.00 0.00 174.94 177.59 1x05 n HIS 64 N 4.77 1.94 -0.02 3.97 -0.00 -1.26 -2.62 115.22 122.00 1x05 n HIS 64 Ca -0.09 0.48 0.01 0.00 0.46 0.00 0.00 57.72 58.57 1x05 n HIS 64 Cb 0.44 -2.42 0.02 0.00 -0.12 0.00 0.00 29.99 27.91 1x05 n HIS 64 CO 0.00 0.00 0.00 1.28 0.46 0.00 0.00 176.34 178.08 1x05 n LEU 65 N 2.32 2.05 0.04 0.27 4.77 -0.71 -4.19 117.00 121.54 1x05 n LEU 65 Ca 0.13 -1.95 -0.07 0.00 -0.03 0.00 0.00 56.01 54.10 1x05 n LEU 65 Cb 0.29 -0.02 -0.04 0.00 -2.33 0.00 0.00 43.42 41.31 1x05 n LEU 65 CO 0.62 0.51 0.50 0.03 -1.33 0.00 0.00 177.39 177.73 1x05 h ARG 66 N 0.23 -0.29 -0.26 3.23 3.08 -1.88 -3.25 114.38 115.23 1x05 h ARG 66 Ca 0.00 0.02 -0.19 0.00 0.07 0.00 0.00 59.98 59.88 1x05 h ARG 66 Cb 0.50 0.07 -0.16 0.00 0.08 0.00 0.00 29.97 30.45 1x05 h ARG 66 CO 0.00 -0.19 -0.63 0.41 -1.07 0.00 0.00 179.97 178.49 1x05 n GLY 67 N -1.20 5.42 3.60 0.04 0.00 -1.26 -4.89 105.19 106.90 1x05 n GLY 67 Ca -0.03 -1.76 -0.30 0.00 0.00 0.00 0.00 46.02 43.94 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 -2.94 0.10 -0.06 0.00 1.01 0.51 -4.94 120.40 114.08 1x05 s VAL 69 Ca 0.69 -0.62 0.02 0.00 0.00 0.00 0.00 61.98 62.08 1x05 s VAL 69 Cb -0.13 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 36.02 1x05 s VAL 69 CO 0.57 -0.32 -0.12 -0.69 0.00 0.00 0.00 175.10 174.53 1x05 s VAL 70 N -0.97 3.22 0.14 2.92 1.01 -1.26 -0.60 120.40 124.87 1x05 s VAL 70 Ca -0.10 -0.65 -0.20 0.00 0.00 0.00 0.00 61.98 61.02 1x05 s VAL 70 Cb -0.07 -2.29 0.06 0.00 0.00 0.00 0.00 36.38 34.08 1x05 s VAL 70 CO -0.01 0.58 0.52 0.28 0.00 0.00 0.00 175.10 176.48 1x05 s THR 71 N -0.61 0.03 0.29 3.92 -1.32 -0.76 -4.98 115.64 112.21 1x05 s THR 71 Ca 0.09 -0.23 0.06 0.00 -1.21 0.00 0.00 61.69 60.40 1x05 s THR 71 Cb -0.11 -1.06 -0.02 0.00 -1.51 0.00 0.00 72.50 69.79 1x05 s THR 71 CO 0.01 -0.13 0.41 -0.44 -2.21 0.00 0.00 174.62 172.27 1x05 s SER 72 N -2.74 6.10 0.21 8.08 0.01 -1.26 -1.55 113.70 122.54 1x05 s SER 72 Ca 0.01 -0.08 0.02 0.00 1.31 0.00 0.00 55.95 57.21 1x05 s SER 72 Cb 0.00 -1.51 0.02 0.00 0.21 0.00 0.00 66.02 64.75 1x05 s SER 72 CO -0.12 -0.26 0.19 1.33 0.41 0.00 0.00 173.24 174.79 1x05 n VAL 73 N -1.52 0.00 -0.10 3.43 0.24 -1.26 -4.55 118.33 114.57 1x05 n VAL 73 Ca -0.04 -0.78 -0.19 0.00 -2.04 0.00 0.00 64.34 61.29 1x05 n VAL 73 Cb 0.58 -0.47 -0.09 0.00 -1.47 0.00 0.00 33.84 32.38 1x05 n VAL 73 CO 0.00 0.00 0.00 1.21 -2.14 0.00 0.00 176.83 175.90 1x05 n GLU 74 N -1.12 0.54 -3.48 7.34 2.13 -1.26 -4.97 120.64 119.82 1x05 n GLU 74 Ca 0.01 0.52 -0.36 0.00 0.66 0.00 0.00 57.16 57.99 1x05 n GLU 74 Cb 0.23 -1.70 0.04 0.00 0.27 0.00 0.00 31.44 30.28 1x05 n GLU 74 CO 0.00 0.00 0.00 -1.13 -0.41 0.00 0.00 177.13 175.59 1x05 n SER 75 N -4.45 -5.59 -3.66 4.31 3.41 -1.26 -4.99 113.62 101.38 1x05 n SER 75 Ca -0.29 -0.11 -0.10 0.00 -0.26 0.00 0.00 58.87 58.11 1x05 n SER 75 Cb 0.62 -1.64 -0.09 0.00 -0.26 0.00 0.00 64.21 62.84 1x05 n SER 75 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1x05 s ASN 76 N -1.42 -0.74 0.07 4.04 2.47 -1.26 -4.92 114.94 113.18 1x05 s ASN 76 Ca 0.35 1.25 0.00 0.00 0.42 0.00 0.00 52.86 54.88 1x05 s ASN 76 Cb -0.04 1.15 0.00 0.00 -1.45 0.00 0.00 41.25 40.91 1x05 s ASN 76 CO 0.80 -0.22 0.00 -0.24 -3.72 0.00 0.00 177.10 173.72 1x05 n SER 77 N 3.96 0.58 0.13 -4.21 2.88 -1.26 -5.07 113.62 110.62 1x05 n SER 77 Ca -0.20 0.10 0.00 0.00 -1.33 0.00 0.00 58.87 57.44 1x05 n SER 77 Cb 0.57 -0.16 0.00 0.00 -0.75 0.00 0.00 64.21 63.88 1x05 n SER 77 CO 0.00 0.00 0.00 -3.20 -1.23 0.00 0.00 175.04 170.61 1x05 n ASN 78 N -3.27 -2.31 0.00 -3.46 5.15 -1.26 -5.09 115.26 105.02 1x05 n ASN 78 Ca 0.00 0.60 0.00 0.00 -0.60 0.00 0.00 54.58 54.58 1x05 n ASN 78 Cb 0.19 2.33 0.00 0.00 -0.53 0.00 0.00 39.78 41.78 1x05 n ASN 78 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1x05 n GLY 79 N -1.36 0.54 0.39 8.20 0.00 -1.26 -4.98 105.19 106.72 1x05 n GLY 79 Ca 0.00 0.07 -0.10 0.00 0.00 0.00 0.00 46.02 45.99 1x05 n GLY 79 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1x05 h ARG 80 N 0.00 -0.34 -6.82 1.61 3.08 -2.07 -3.40 114.38 106.45 1x05 h ARG 80 Ca 0.00 0.02 -0.50 0.00 0.07 0.00 0.00 59.98 59.58 1x05 h ARG 80 Cb 0.00 0.08 0.00 0.00 0.08 0.00 0.00 29.97 30.13 1x05 h ARG 80 CO 0.00 -0.22 0.10 0.15 -1.07 0.00 0.00 179.97 178.92 1x05 s LYS 81 N -5.87 3.76 -0.35 0.04 1.02 -1.26 -5.06 119.74 112.02 1x05 s LYS 81 Ca -0.15 0.43 0.07 0.00 0.02 0.00 0.00 55.97 56.34 1x05 s LYS 81 Cb 0.11 -2.41 0.19 0.00 -0.52 0.00 0.00 37.83 35.20 1x05 s LYS 81 CO 0.65 -0.02 0.62 -1.12 -0.92 0.00 0.00 175.35 174.56 1x05 s SER 82 N -3.17 -1.56 -0.08 2.83 0.01 -1.26 -4.56 113.70 105.90 1x05 s SER 82 Ca 0.51 -0.28 -0.26 0.00 1.31 0.00 0.00 55.95 57.23 1x05 s SER 82 Cb -0.10 1.98 -0.25 0.00 0.21 0.00 0.00 66.02 67.85 1x05 s SER 82 CO 0.31 -0.23 0.93 -0.33 0.41 0.00 0.00 173.24 174.33 1x05 h GLU 83 N 7.48 0.13 -3.61 12.44 4.39 -1.98 -3.45 114.58 129.98 1x05 h GLU 83 Ca 0.02 -0.16 -0.36 0.00 0.34 0.00 0.00 59.36 59.19 1x05 h GLU 83 Cb 1.19 0.05 -0.36 0.00 -0.10 0.00 0.00 28.75 29.53 1x05 h GLU 83 CO 0.12 0.97 -0.75 -1.21 -1.16 0.00 0.00 179.01 176.99 1x05 s GLU 84 N -2.77 0.24 0.26 2.33 8.01 -1.26 -5.09 118.70 120.41 1x05 s GLU 84 Ca -0.17 0.16 0.01 0.00 0.01 0.00 0.00 54.97 54.99 1x05 s GLU 84 Cb -0.00 -0.55 -0.05 0.00 -4.31 0.00 0.00 34.13 29.22 1x05 s GLU 84 CO 0.73 -0.21 0.09 -1.83 0.01 0.00 0.00 175.26 174.06 1x05 s GLU 85 N 1.43 1.41 -1.19 1.61 -1.05 -1.26 -4.76 118.70 114.89 1x05 s GLU 85 Ca -0.04 -1.76 -0.10 0.00 -0.15 0.00 0.00 54.97 52.92 1x05 s GLU 85 Cb -0.13 -0.28 -0.02 0.00 -0.44 0.00 0.00 34.13 33.26 1x05 s GLU 85 CO -0.03 -0.29 0.76 0.09 0.95 0.00 0.00 175.26 176.75 1x05 n ASN 86 N -0.46 -3.86 -4.87 0.83 3.02 -1.26 -4.28 115.26 104.37 1x05 n ASN 86 Ca -0.00 -0.89 -0.21 0.00 -0.03 0.00 0.00 54.58 53.44 1x05 n ASN 86 Cb 0.66 -3.93 -0.03 0.00 -0.61 0.00 0.00 39.78 35.87 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 -6.37 3.31 -0.22 3.41 1.43 -1.26 0.12 118.68 119.09 1x05 s LEU 87 Ca 0.28 -0.82 -0.28 0.00 -1.03 0.00 0.00 54.13 52.29 1x05 s LEU 87 Cb -0.08 -1.93 0.13 0.00 0.03 0.00 0.00 46.19 44.35 1x05 s LEU 87 CO 0.82 -0.70 1.07 0.72 0.23 0.00 0.00 176.35 178.49 1x05 s PHE 88 N -2.51 -0.36 -0.10 0.29 -0.12 -1.10 -4.08 117.98 110.00 1x05 s PHE 88 Ca 0.47 0.76 -0.07 0.00 -0.05 0.00 0.00 56.93 58.04 1x05 s PHE 88 Cb -0.03 0.42 -0.04 0.00 -0.63 0.00 0.00 43.02 42.75 1x05 s PHE 88 CO 0.27 -0.25 0.16 -2.00 -0.05 0.00 0.00 175.22 173.35 1x05 s GLU 89 N -0.51 3.47 -0.28 1.99 2.12 -0.60 -2.65 118.70 122.25 1x05 s GLU 89 Ca 0.01 -0.13 -0.00 0.00 0.36 0.00 0.00 54.97 55.22 1x05 s GLU 89 Cb -0.03 -3.18 0.08 0.00 0.26 0.00 0.00 34.13 31.27 1x05 s GLU 89 CO -0.03 0.76 0.05 0.42 -0.54 0.00 0.00 175.26 175.91 1x05 s ILE 90 N -1.08 1.16 0.08 -3.70 1.01 -0.84 -1.82 121.20 116.02 1x05 s ILE 90 Ca 0.17 -1.34 -0.27 0.00 0.00 0.00 0.00 60.65 59.21 1x05 s ILE 90 Cb -0.12 -1.73 -0.06 0.00 0.01 0.00 0.00 42.46 40.56 1x05 s ILE 90 CO 0.07 -0.45 0.84 -0.63 0.00 0.00 0.00 174.94 174.77 1x05 s ILE 91 N 1.51 4.60 0.00 2.92 1.01 0.23 -2.80 121.20 128.67 1x05 s ILE 91 Ca 0.04 1.81 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1x05 s ILE 91 Cb -0.18 -4.20 0.00 0.00 0.01 0.00 0.00 42.46 38.09 1x05 s ILE 91 CO -0.16 0.37 0.00 0.35 0.00 0.00 0.00 174.94 175.50 1x05 n THR 92 N 2.65 0.00 0.25 2.92 -2.24 -0.20 0.19 114.28 117.86 1x05 n THR 92 Ca -0.01 0.00 0.15 0.00 -2.27 0.00 0.00 64.05 61.92 1x05 n THR 92 Cb 0.50 -1.07 0.51 0.00 -2.10 0.00 0.00 70.33 68.17 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 0.26 1.00 -0.08 6.98 0.00 -1.77 -1.87 119.26 123.78 1x05 h ALA 93 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 1x05 h ALA 93 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 1x05 h ALA 93 CO 0.00 0.05 0.00 -0.25 0.00 0.00 0.00 179.25 179.05 1x05 n ASP 94 N -3.13 1.96 0.00 0.00 8.00 -1.26 -4.89 116.55 117.22 1x05 n ASP 94 Ca 0.01 -1.67 0.00 0.00 0.71 0.00 0.00 54.79 53.84 1x05 n ASP 94 Cb 0.39 -0.04 0.00 0.00 -0.02 0.00 0.00 41.12 41.45 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 0.53 0.00 -1.74 -1.24 1.02 -0.70 -4.98 120.64 113.52 1x05 n GLU 95 Ca 0.17 0.00 -0.42 0.00 -0.02 0.00 0.00 57.16 56.90 1x05 n GLU 95 Cb 0.41 -2.42 -0.02 0.00 -0.02 0.00 0.00 31.44 29.39 1x05 n GLU 95 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1x05 s VAL 96 N -3.92 2.02 -0.09 2.62 1.01 -1.26 -4.55 120.40 116.22 1x05 s VAL 96 Ca 0.00 0.01 -0.02 0.00 0.00 0.00 0.00 61.98 61.97 1x05 s VAL 96 Cb 0.00 -3.01 -0.03 0.00 0.00 0.00 0.00 36.38 33.34 1x05 s VAL 96 CO 0.00 0.00 0.01 -1.00 0.00 0.00 0.00 175.10 174.11 1x05 s HIS 97 N 0.66 3.20 -0.08 5.22 3.76 -1.26 -1.03 115.29 125.74 1x05 s HIS 97 Ca 0.70 0.22 -0.01 0.00 -0.15 0.00 0.00 55.06 55.82 1x05 s HIS 97 Cb -0.49 -1.80 0.03 0.00 1.11 0.00 0.00 32.58 31.42 1x05 s HIS 97 CO 0.39 0.49 -0.03 0.71 -0.85 0.00 0.00 174.74 175.44 1x05 s TYR 98 N -0.88 1.00 -0.43 1.40 2.02 -1.12 -4.92 117.35 114.41 1x05 s TYR 98 Ca 0.13 -0.39 -0.13 0.00 -0.37 0.00 0.00 57.07 56.31 1x05 s TYR 98 Cb -0.11 -0.96 0.06 0.00 -0.40 0.00 0.00 41.96 40.55 1x05 s TYR 98 CO 0.02 -0.38 0.32 -0.06 -1.57 0.00 0.00 175.55 173.88 1x05 s PHE 99 N 1.75 3.26 0.42 2.71 0.40 -1.26 -1.98 117.98 123.28 1x05 s PHE 99 Ca 0.03 -0.99 0.08 0.00 -0.60 0.00 0.00 56.93 55.44 1x05 s PHE 99 Cb -0.13 -2.90 -0.02 0.00 0.51 0.00 0.00 43.02 40.49 1x05 s PHE 99 CO -0.06 -0.74 0.37 -0.51 0.70 0.00 0.00 175.22 174.98 1x05 s LEU 100 N 1.59 3.37 -0.13 -0.37 2.01 -1.08 -3.03 118.68 121.04 1x05 s LEU 100 Ca 0.04 -0.77 0.02 0.00 0.01 0.00 0.00 54.13 53.42 1x05 s LEU 100 Cb -0.22 -2.02 0.02 0.00 0.01 0.00 0.00 46.19 43.98 1x05 s LEU 100 CO 0.06 -0.66 -0.17 -1.58 1.01 0.00 0.00 176.35 175.02 1x05 s GLN 101 N -4.12 2.43 -0.25 1.70 0.74 -1.14 -2.72 119.66 116.29 1x05 s GLN 101 Ca 0.48 -0.63 -0.17 0.00 0.05 0.00 0.00 55.36 55.09 1x05 s GLN 101 Cb -0.03 -2.07 -0.03 0.00 1.10 0.00 0.00 33.01 31.98 1x05 s GLN 101 CO 0.28 -0.09 0.46 0.00 -0.55 0.00 0.00 175.29 175.39 1x05 s ALA 102 N 1.06 3.58 0.17 1.58 0.00 0.32 -3.77 121.76 124.69 1x05 s ALA 102 Ca -0.04 -0.64 -0.27 0.00 0.00 0.00 0.00 51.96 51.00 1x05 s ALA 102 Cb -0.15 -2.81 0.01 0.00 0.00 0.00 0.00 23.12 20.17 1x05 s ALA 102 CO -0.04 -0.66 1.56 0.00 0.00 0.00 0.00 175.76 176.62 1x05 h ALA 103 N 7.97 -0.41 -1.98 0.00 0.00 -1.88 -3.41 119.26 119.54 1x05 h ALA 103 Ca -0.31 0.11 -0.46 0.00 0.00 0.00 0.00 54.91 54.25 1x05 h ALA 103 Cb 1.15 1.08 -0.01 0.00 0.00 0.00 0.00 17.79 20.01 1x05 h ALA 103 CO 0.70 -0.88 -0.40 0.95 0.00 0.00 0.00 179.25 179.61 1x05 s THR 104 N -5.75 4.47 -0.61 0.00 -4.23 -1.26 -4.99 115.64 103.28 1x05 s THR 104 Ca -0.14 -1.08 0.25 0.00 -1.18 0.00 0.00 61.69 59.54 1x05 s THR 104 Cb 0.13 -3.54 0.27 0.00 1.34 0.00 0.00 72.50 70.69 1x05 s THR 104 CO 0.65 -0.24 1.75 -0.81 -0.54 0.00 0.00 174.62 175.43 1x05 n PRO 105 N -1.48 0.23 0.03 3.99 -0.04 -1.26 -2.71 135.00 133.76 1x05 n PRO 105 Ca -0.04 0.32 -0.13 0.00 -0.04 0.00 0.00 63.50 63.61 1x05 n PRO 105 Cb 0.58 -1.84 -0.14 0.00 -0.04 0.00 0.00 33.50 32.06 1x05 n PRO 105 CO 0.00 0.00 0.00 -0.22 -0.04 0.00 0.00 175.50 175.24 1x05 h LYS 106 N 0.00 0.12 0.03 0.54 3.64 -1.94 -3.33 116.57 115.63 1x05 h LYS 106 Ca 0.00 -0.21 -0.00 0.00 -1.27 0.00 0.00 60.65 59.17 1x05 h LYS 106 Cb 0.55 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.45 1x05 h LYS 106 CO 0.00 0.90 -0.01 1.49 -2.27 0.00 0.00 179.45 179.56 1x05 h GLU 107 N 0.03 -0.03 -0.78 1.90 4.57 -1.87 0.28 114.58 118.67 1x05 h GLU 107 Ca -0.22 0.00 0.18 0.00 -1.18 0.00 0.00 59.36 58.14 1x05 h GLU 107 Cb 1.97 0.01 -0.12 0.00 -0.16 0.00 0.00 28.75 30.45 1x05 h GLU 107 CO 0.12 0.05 0.21 -0.09 -1.18 0.00 0.00 179.01 178.12 1x05 h ARG 108 N -0.11 0.26 -0.16 1.92 2.43 -1.68 1.00 114.38 118.05 1x05 h ARG 108 Ca -0.00 -0.02 -0.10 0.00 -0.81 0.00 0.00 59.98 59.05 1x05 h ARG 108 Cb 0.10 -0.06 0.00 0.00 -0.42 0.00 0.00 29.97 29.59 1x05 h ARG 108 CO 0.01 0.17 -0.29 1.15 -1.51 0.00 0.00 179.97 179.50 1x05 h THR 109 N 0.27 1.35 0.85 0.20 2.02 -1.58 -2.65 112.91 113.38 1x05 h THR 109 Ca 0.46 -1.53 -0.04 0.00 0.77 0.00 0.00 66.41 66.07 1x05 h THR 109 Cb 0.82 1.95 0.00 0.00 -1.74 0.00 0.00 68.15 69.18 1x05 h THR 109 CO -0.54 0.46 -0.48 -0.33 0.37 0.00 0.00 175.52 174.99 1x05 h GLU 110 N 0.11 -1.19 -0.55 6.66 5.08 0.15 -1.35 114.58 123.50 1x05 h GLU 110 Ca 0.01 0.08 0.06 0.00 -1.00 0.00 0.00 59.36 58.51 1x05 h GLU 110 Cb 0.88 0.27 -0.09 0.00 0.50 0.00 0.00 28.75 30.31 1x05 h GLU 110 CO 0.07 -0.79 -0.51 -1.49 -1.00 0.00 0.00 179.01 175.28 1x05 h TRP 111 N -1.24 -1.60 -0.39 4.33 -0.00 0.85 1.72 115.95 119.63 1x05 h TRP 111 Ca -0.11 0.09 0.04 0.00 -0.00 0.00 0.00 58.89 58.90 1x05 h TRP 111 Cb 0.98 0.77 -0.05 0.00 -0.00 0.00 0.00 29.16 30.86 1x05 h TRP 111 CO -0.08 -0.41 -0.24 0.82 -0.00 0.00 0.00 178.44 178.54 1x05 h ILE 112 N -0.24 0.00 -0.68 1.49 2.04 -1.34 1.75 117.51 120.53 1x05 h ILE 112 Ca 0.09 0.00 0.15 0.00 1.00 0.00 0.00 64.86 66.10 1x05 h ILE 112 Cb 0.48 0.00 -0.04 0.00 -0.74 0.00 0.00 36.82 36.52 1x05 h ILE 112 CO -0.64 0.00 0.47 0.11 0.00 0.00 0.00 178.15 178.08 1x05 h LYS 113 N -0.01 0.26 0.45 2.37 1.57 -0.00 0.34 116.57 121.55 1x05 h LYS 113 Ca 0.06 -0.02 -0.02 0.00 -1.87 0.00 0.00 60.65 58.80 1x05 h LYS 113 Cb 0.17 -0.06 0.00 0.00 0.08 0.00 0.00 32.23 32.42 1x05 h LYS 113 CO -0.37 0.17 -0.22 0.00 -0.57 0.00 0.00 179.45 178.46 1x05 h ALA 114 N 1.67 -0.61 -0.12 3.86 0.00 1.39 0.20 119.26 125.66 1x05 h ALA 114 Ca 0.33 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 55.08 1x05 h ALA 114 Cb 0.92 0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.94 1x05 h ALA 114 CO -0.08 -0.78 0.08 0.82 0.00 0.00 0.00 179.25 179.29 1x05 h ILE 115 N -0.72 1.05 -0.46 0.00 2.04 0.25 -2.32 117.51 117.34 1x05 h ILE 115 Ca -0.06 -0.11 0.09 0.00 1.00 0.00 0.00 64.86 65.78 1x05 h ILE 115 Cb 0.52 0.90 -0.08 0.00 -0.74 0.00 0.00 36.82 37.42 1x05 h ILE 115 CO 0.10 0.04 -0.05 1.56 0.00 0.00 0.00 178.15 179.80 1x05 h GLN 116 N 0.15 0.06 -0.53 2.37 4.20 -0.30 0.59 115.11 121.65 1x05 h GLN 116 Ca 0.04 -0.00 0.10 0.00 0.06 0.00 0.00 58.65 58.85 1x05 h GLN 116 Cb 0.00 -0.01 -0.08 0.00 0.30 0.00 0.00 27.48 27.69 1x05 h GLN 116 CO -0.01 0.04 0.06 1.98 -0.67 0.00 0.00 178.83 180.23 1x05 h MET 117 N 0.06 0.17 0.46 1.46 1.85 -0.22 1.53 114.93 120.24 1x05 h MET 117 Ca 0.23 -0.01 -0.02 0.00 -0.61 0.00 0.00 59.70 59.28 1x05 h MET 117 Cb 0.35 -0.04 0.00 0.00 0.43 0.00 0.00 31.60 32.34 1x05 h MET 117 CO -0.43 0.12 -0.22 0.00 -0.40 0.00 0.00 176.91 175.98 1x05 h ALA 118 N 1.45 -0.62 -0.49 0.39 0.00 -0.66 -2.74 119.26 116.59 1x05 h ALA 118 Ca 0.27 -0.19 0.14 0.00 0.00 0.00 0.00 54.91 55.13 1x05 h ALA 118 Cb 0.40 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.41 1x05 h ALA 118 CO -0.40 -0.68 0.39 0.66 0.00 0.00 0.00 179.25 179.22 1x05 h SER 119 N -0.96 0.00 -0.22 0.00 4.64 0.55 1.13 113.55 118.69 1x05 h SER 119 Ca -0.06 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.26 1x05 h SER 119 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 1x05 h SER 119 CO 0.10 0.00 0.00 0.54 -0.87 0.00 0.00 176.83 176.60 1x05 n ARG 120 N -4.19 1.79 -0.32 4.77 5.12 0.52 -4.36 116.66 120.00 1x05 n ARG 120 Ca 0.09 -0.92 0.30 0.00 -1.93 0.00 0.00 57.85 55.39 1x05 n ARG 120 Cb 0.60 -1.37 0.54 0.00 -1.16 0.00 0.00 32.46 31.06 1x05 n ARG 120 CO 0.00 0.00 0.00 -2.37 -1.93 0.00 0.00 177.63 173.33 1x05 n THR 121 N 0.21 -0.31 -3.12 0.55 5.66 0.39 -4.80 114.28 112.85 1x05 n THR 121 Ca 0.08 1.69 -0.04 0.00 -3.05 0.00 0.00 64.05 62.73 1x05 n THR 121 Cb 0.32 -2.75 0.00 0.00 -1.55 0.00 0.00 70.33 66.35 1x05 n THR 121 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1x05 n GLY 122 N -1.30 -1.23 2.46 1.09 0.00 -1.26 -5.01 105.19 99.94 1x05 n GLY 122 Ca 0.34 0.61 -0.21 0.00 0.00 0.00 0.00 46.02 46.76 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 -1.63 0.38 -3.66 1.61 0.00 -1.26 -5.07 118.16 108.53 1x05 n LYS 123 Ca -0.02 -2.85 -0.38 0.00 0.00 0.00 0.00 58.31 55.05 1x05 n LYS 123 Cb 0.52 -1.54 -0.09 0.00 0.00 0.00 0.00 35.03 33.92 1x05 n LYS 123 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.40 177.85 1x05 s SER 124 N -0.09 5.49 -0.11 3.14 0.15 -1.26 -5.03 113.70 115.98 1x05 s SER 124 Ca 0.33 -2.34 -0.31 0.00 0.70 0.00 0.00 55.95 54.33 1x05 s SER 124 Cb 0.07 -1.92 0.12 0.00 -1.71 0.00 0.00 66.02 62.58 1x05 s SER 124 CO -0.16 -0.53 1.02 -0.83 1.20 0.00 0.00 173.24 173.95 1x05 s GLY 125 N 1.68 -0.34 -1.10 9.45 0.00 -1.26 -5.04 107.32 110.70 1x05 s GLY 125 Ca 0.11 1.50 -0.07 0.00 0.00 0.00 0.00 44.72 46.27 1x05 s GLY 125 CO -0.03 0.59 2.52 -1.55 0.00 0.00 0.00 173.10 174.63 1x05 n PRO 126 N 0.07 2.66 -1.52 2.90 -0.04 -1.26 -4.89 135.00 132.92 1x05 n PRO 126 Ca -0.06 -1.67 -0.44 0.00 -0.04 0.00 0.00 63.50 61.29 1x05 n PRO 126 Cb 0.60 -2.53 -0.06 0.00 -0.04 0.00 0.00 33.50 31.47 1x05 n PRO 126 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1x05 n SER 127 N 3.80 2.23 0.00 3.54 2.88 -1.26 -3.43 113.62 121.39 1x05 n SER 127 Ca 0.57 0.07 0.00 0.00 -1.33 0.00 0.00 58.87 58.17 1x05 n SER 127 Cb 0.22 -1.38 0.00 0.00 -0.75 0.00 0.00 64.21 62.30 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 12.13 0.00 0.00 -3.46 7.64 -1.26 -5.27 113.62 123.40 1x05 n SER 128 Ca 0.40 0.00 0.00 0.00 1.01 0.00 0.00 58.87 60.28 1x05 n SER 128 Cb 0.35 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.55 1x05 n SER 128 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64