#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1o s LEU 10 N 0.00 6.19 -0.63 4.31 2.96 -1.26 -4.43 118.68 125.82 3i1o s LEU 10 Ca 0.00 -2.56 -0.28 0.00 -0.22 0.00 0.00 54.13 51.07 3i1o s LEU 10 Cb 0.00 -2.27 0.03 0.00 0.50 0.00 0.00 46.19 44.45 3i1o s LEU 10 CO 0.00 -0.71 1.24 -1.10 -1.32 0.00 0.00 176.35 174.47 3i1o s GLN 11 N 0.86 3.39 -0.51 1.98 -1.52 -1.10 -4.96 119.66 117.80 3i1o s GLN 11 Ca 0.24 0.12 0.04 0.00 -1.95 0.00 0.00 55.36 53.80 3i1o s GLN 11 Cb -0.08 -4.08 0.13 0.00 -0.22 0.00 0.00 33.01 28.77 3i1o s GLN 11 CO -0.09 -1.85 0.27 -2.00 -0.25 0.00 0.00 175.29 171.37 3i1o s GLU 12 N 5.26 1.83 -0.16 2.91 2.12 -1.26 -3.95 118.70 125.44 3i1o s GLU 12 Ca 0.41 -2.52 0.01 0.00 0.36 0.00 0.00 54.97 53.24 3i1o s GLU 12 Cb -0.08 -3.06 0.01 0.00 0.26 0.00 0.00 34.13 31.26 3i1o s GLU 12 CO 0.22 -1.14 -0.17 0.21 -0.54 0.00 0.00 175.26 173.84 3i1o s LYS 13 N -0.21 3.12 0.13 4.30 2.36 -0.95 -5.00 119.74 123.49 3i1o s LYS 13 Ca 0.18 -0.79 -0.26 0.00 -2.55 0.00 0.00 55.97 52.55 3i1o s LYS 13 Cb -0.24 -2.59 -0.07 0.00 -1.05 0.00 0.00 37.83 33.89 3i1o s LYS 13 CO -0.01 -0.06 0.81 -1.17 1.55 0.00 0.00 175.35 176.46 3i1o s LEU 14 N 0.97 4.55 -0.18 5.43 2.96 -1.26 -1.30 118.68 129.85 3i1o s LEU 14 Ca -0.03 1.64 -0.15 0.00 -0.22 0.00 0.00 54.13 55.37 3i1o s LEU 14 Cb -0.15 -3.34 -0.07 0.00 0.50 0.00 0.00 46.19 43.14 3i1o s LEU 14 CO -0.04 0.13 -0.31 -0.38 -1.32 0.00 0.00 176.35 174.43 3i1o n ILE 15 N 2.03 1.43 -3.60 6.68 5.41 0.81 -4.96 119.36 127.15 3i1o n ILE 15 Ca -0.04 0.00 -0.16 0.00 1.00 0.00 0.00 62.75 63.55 3i1o n ILE 15 Cb 0.49 -2.12 -0.07 0.00 -0.71 0.00 0.00 39.64 37.23 3i1o n ILE 15 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 3i1o s ALA 16 N -2.69 -1.45 -0.33 -1.39 0.00 -0.96 -4.98 121.76 109.98 3i1o s ALA 16 Ca -0.29 1.02 0.01 0.00 0.00 0.00 0.00 51.96 52.71 3i1o s ALA 16 Cb 0.07 -0.02 0.14 0.00 0.00 0.00 0.00 23.12 23.31 3i1o s ALA 16 CO 0.40 -0.33 0.32 0.54 0.00 0.00 0.00 175.76 176.68 3i1o s VAL 17 N -1.17 -0.33 0.49 0.00 0.11 -1.26 0.16 120.40 118.41 3i1o s VAL 17 Ca -0.11 -0.78 0.07 0.00 -2.93 0.00 0.00 61.98 58.23 3i1o s VAL 17 Cb -0.02 -0.87 0.02 0.00 -1.53 0.00 0.00 36.38 33.98 3i1o s VAL 17 CO 0.08 -0.56 0.45 0.54 -3.33 0.00 0.00 175.10 172.28 3i1o s ASN 18 N 1.89 4.90 -0.15 3.54 2.20 -0.95 -4.88 114.94 121.49 3i1o s ASN 18 Ca 0.13 -0.95 0.01 0.00 -0.94 0.00 0.00 52.86 51.11 3i1o s ASN 18 Cb -0.15 -0.08 0.00 0.00 -2.00 0.00 0.00 41.25 39.03 3i1o s ASN 18 CO -0.19 -0.92 -0.17 -0.60 -2.94 0.00 0.00 177.10 172.27 3i1o s ARG 19 N -4.27 3.14 0.58 3.55 3.52 -1.26 -1.59 118.95 122.62 3i1o s ARG 19 Ca 0.45 -0.79 0.08 0.00 -0.13 0.00 0.00 55.73 55.34 3i1o s ARG 19 Cb -0.03 -2.57 0.07 0.00 -1.56 0.00 0.00 34.95 30.86 3i1o s ARG 19 CO 0.27 -0.02 0.62 0.14 -0.81 0.00 0.00 175.30 175.50 3i1o s VAL 20 N 0.88 1.78 -0.07 7.11 -7.23 -0.94 -5.02 120.40 116.92 3i1o s VAL 20 Ca -0.04 -1.25 -0.08 0.00 -1.81 0.00 0.00 61.98 58.80 3i1o s VAL 20 Cb -0.15 -2.03 0.02 0.00 0.56 0.00 0.00 36.38 34.78 3i1o s VAL 20 CO -0.02 0.00 0.21 -0.55 -0.31 0.00 0.00 175.10 174.43 3i1o s SER 21 N -4.51 -0.19 -0.07 4.85 0.15 -1.26 -4.40 113.70 108.27 3i1o s SER 21 Ca 0.48 0.34 0.00 0.00 0.70 0.00 0.00 55.95 57.47 3i1o s SER 21 Cb -0.04 0.40 0.02 0.00 -1.71 0.00 0.00 66.02 64.70 3i1o s SER 21 CO 0.30 -0.12 -0.05 -0.75 1.20 0.00 0.00 173.24 173.82 3i1o s LYS 22 N -0.12 1.05 -0.13 5.44 2.20 -1.26 -4.97 119.74 121.95 3i1o s LYS 22 Ca -0.02 -0.12 -0.07 0.00 -0.36 0.00 0.00 55.97 55.40 3i1o s LYS 22 Cb -0.02 -1.13 -0.04 0.00 -1.51 0.00 0.00 37.83 35.12 3i1o s LYS 22 CO 0.01 -0.17 0.11 0.99 -0.36 0.00 0.00 175.35 175.93 3i1o s THR 23 N 1.37 5.28 0.34 3.43 2.01 -1.26 -1.72 115.64 125.09 3i1o s THR 23 Ca -0.03 0.13 0.04 0.00 0.31 0.00 0.00 61.69 62.14 3i1o s THR 23 Cb -0.14 -3.32 -0.03 0.00 0.01 0.00 0.00 72.50 69.03 3i1o s THR 23 CO -0.03 0.57 0.19 0.68 -0.69 0.00 0.00 174.62 175.34 3i1o s VAL 24 N -0.66 0.29 0.31 3.82 -7.23 0.22 -4.97 120.40 112.18 3i1o s VAL 24 Ca 0.13 -2.00 0.24 0.00 -1.81 0.00 0.00 61.98 58.54 3i1o s VAL 24 Cb -0.12 -2.46 0.24 0.00 0.56 0.00 0.00 36.38 34.60 3i1o s VAL 24 CO 0.02 0.00 1.70 0.07 -0.31 0.00 0.00 175.10 176.59 3i1o h LYS 25 N 2.09 0.00 0.00 4.82 2.10 -1.99 0.41 116.57 124.00 3i1o h LYS 25 Ca -0.31 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.34 3i1o h LYS 25 Cb 1.25 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.58 3i1o h LYS 25 CO 0.49 0.00 -1.13 0.41 -2.00 0.00 0.00 179.45 177.22 3i1o n GLY 26 N -1.24 -0.62 0.00 0.07 0.00 -1.26 -5.09 105.19 97.05 3i1o n GLY 26 Ca -0.02 -0.44 0.00 0.00 0.00 0.00 0.00 46.02 45.56 3i1o n GLY 26 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3i1o n GLY 27 N 1.44 0.71 3.75 -0.02 0.00 0.14 -5.10 105.19 106.12 3i1o n GLY 27 Ca 0.01 -1.78 -0.30 0.00 0.00 0.00 0.00 46.02 43.95 3i1o n GLY 27 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3i1o s ARG 28 N -2.00 1.73 0.00 1.61 3.52 -1.26 0.69 118.95 123.24 3i1o s ARG 28 Ca 0.00 0.89 0.00 0.00 -0.13 0.00 0.00 55.73 56.49 3i1o s ARG 28 Cb 0.00 -1.86 0.00 0.00 -1.56 0.00 0.00 34.95 31.53 3i1o s ARG 28 CO 0.00 -1.93 0.00 1.51 -0.81 0.00 0.00 175.30 174.07 3i1o n ILE 29 N -3.68 0.00 0.00 4.11 3.06 -0.70 -4.79 119.36 117.36 3i1o n ILE 29 Ca 0.08 0.00 0.00 0.00 -2.50 0.00 0.00 62.75 60.33 3i1o n ILE 29 Cb 0.55 0.00 0.00 0.00 0.54 0.00 0.00 39.64 40.73 3i1o n ILE 29 CO 0.00 0.00 0.00 0.49 -2.50 0.00 0.00 176.55 174.54 3i1o n PHE 30 N 0.00 0.00 -1.64 9.51 3.01 -1.26 -4.88 117.46 122.20 3i1o n PHE 30 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.46 3i1o n PHE 30 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 39.48 39.47 3i1o n PHE 30 CO 0.00 0.00 0.00 -1.13 1.01 0.00 0.00 176.76 176.64 3i1o n SER 31 N -0.28 -6.34 -4.53 4.37 3.41 -1.26 -4.00 113.62 104.99 3i1o n SER 31 Ca 0.00 1.08 -0.25 0.00 -0.26 0.00 0.00 58.87 59.44 3i1o n SER 31 Cb 0.00 -4.05 -0.11 0.00 -0.26 0.00 0.00 64.21 59.79 3i1o n SER 31 CO 0.00 0.00 0.00 -0.36 -0.16 0.00 0.00 175.04 174.52 3i1o s PHE 32 N -2.56 2.25 -0.16 7.33 0.08 -0.11 -2.22 117.98 122.59 3i1o s PHE 32 Ca 0.00 -0.79 -0.09 0.00 0.12 0.00 0.00 56.93 56.17 3i1o s PHE 32 Cb 0.00 -1.51 0.06 0.00 -0.57 0.00 0.00 43.02 40.99 3i1o s PHE 32 CO 0.00 0.26 0.38 -0.08 -0.10 0.00 0.00 175.22 175.68 3i1o s THR 33 N -2.97 -0.03 0.01 0.64 -1.32 -0.62 -2.20 115.64 109.14 3i1o s THR 33 Ca 0.35 0.10 0.07 0.00 -1.21 0.00 0.00 61.69 61.00 3i1o s THR 33 Cb 0.09 -0.56 -0.02 0.00 -1.51 0.00 0.00 72.50 70.49 3i1o s THR 33 CO 0.17 0.04 -0.22 0.00 -2.21 0.00 0.00 174.62 172.39 3i1o s ALA 34 N 1.29 1.86 -0.20 11.08 0.00 -0.49 -2.24 121.76 133.06 3i1o s ALA 34 Ca -0.09 -1.02 0.01 0.00 0.00 0.00 0.00 51.96 50.86 3i1o s ALA 34 Cb -0.08 -0.43 0.04 0.00 0.00 0.00 0.00 23.12 22.64 3i1o s ALA 34 CO -0.11 0.44 -0.14 -1.17 0.00 0.00 0.00 175.76 174.78 3i1o s LEU 35 N -0.79 2.38 0.37 0.00 1.98 0.12 -0.71 118.68 122.03 3i1o s LEU 35 Ca 0.09 -0.85 0.04 0.00 -2.89 0.00 0.00 54.13 50.51 3i1o s LEU 35 Cb -0.09 -1.38 -0.03 0.00 0.66 0.00 0.00 46.19 45.36 3i1o s LEU 35 CO 0.00 -0.09 0.15 0.42 -1.89 0.00 0.00 176.35 174.94 3i1o s THR 36 N 1.31 0.49 0.06 3.68 -4.23 -0.74 -0.14 115.64 116.08 3i1o s THR 36 Ca 0.00 -2.00 0.01 0.00 -1.18 0.00 0.00 61.69 58.53 3i1o s THR 36 Cb -0.15 -2.43 -0.03 0.00 1.34 0.00 0.00 72.50 71.22 3i1o s THR 36 CO -0.10 0.00 -0.06 -0.69 -0.54 0.00 0.00 174.62 173.23 3i1o s VAL 37 N -3.34 0.52 0.00 2.29 1.01 -0.42 -0.46 120.40 120.00 3i1o s VAL 37 Ca 0.29 -1.53 0.00 0.00 0.00 0.00 0.00 61.98 60.75 3i1o s VAL 37 Cb 0.03 -1.16 0.00 0.00 0.00 0.00 0.00 36.38 35.26 3i1o s VAL 37 CO 0.17 -0.69 0.00 0.52 0.00 0.00 0.00 175.10 175.10 3i1o n VAL 38 N 0.65 0.00 0.00 2.92 0.31 0.31 -2.24 118.33 120.28 3i1o n VAL 38 Ca -0.17 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.16 3i1o n VAL 38 Cb 0.58 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.51 3i1o n VAL 38 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 3i1o n GLY 39 N 5.00 -0.73 0.09 2.92 0.00 -1.25 -4.54 105.19 106.68 3i1o n GLY 39 Ca 0.00 -1.50 -0.13 0.00 0.00 0.00 0.00 46.02 44.39 3i1o n GLY 39 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3i1o n ASP 40 N -0.92 1.88 0.00 1.61 5.75 -0.52 -2.71 116.55 121.64 3i1o n ASP 40 Ca 0.00 0.46 0.00 0.00 -0.01 0.00 0.00 54.79 55.24 3i1o n ASP 40 Cb 0.00 -0.84 0.00 0.00 -1.03 0.00 0.00 41.12 39.25 3i1o n ASP 40 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3i1o n GLY 41 N 1.48 0.96 0.03 6.12 0.00 -1.23 -4.54 105.19 108.01 3i1o n GLY 41 Ca -0.21 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.92 3i1o n GLY 41 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1o n ASN 42 N 0.00 0.61 0.00 1.61 3.02 -1.26 -3.72 115.26 115.52 3i1o n ASN 42 Ca 0.00 -0.29 0.00 0.00 -0.03 0.00 0.00 54.58 54.26 3i1o n ASN 42 Cb 0.00 0.87 0.00 0.00 -0.61 0.00 0.00 39.78 40.04 3i1o n ASN 42 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 3i1o n GLY 43 N 1.38 0.00 2.99 7.41 0.00 -1.18 -4.92 105.19 110.87 3i1o n GLY 43 Ca 0.02 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.92 3i1o n GLY 43 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3i1o s ARG 44 N 0.00 0.37 -0.26 1.61 0.52 -1.26 0.21 118.95 120.14 3i1o s ARG 44 Ca 0.00 -0.49 -0.25 0.00 -0.52 0.00 0.00 55.73 54.47 3i1o s ARG 44 Cb 0.00 -0.16 0.07 0.00 0.52 0.00 0.00 34.95 35.38 3i1o s ARG 44 CO 0.00 0.03 0.72 0.54 0.02 0.00 0.00 175.30 176.61 3i1o s VAL 45 N -0.94 0.00 0.07 3.52 0.11 -0.42 -1.43 120.40 121.30 3i1o s VAL 45 Ca -0.08 0.00 0.01 0.00 -2.93 0.00 0.00 61.98 58.99 3i1o s VAL 45 Cb -0.07 -1.00 -0.03 0.00 -1.53 0.00 0.00 36.38 33.75 3i1o s VAL 45 CO -0.00 0.00 -0.06 -0.83 -3.33 0.00 0.00 175.10 170.88 3i1o s GLY 46 N 0.30 0.60 0.28 6.54 0.00 -1.26 -0.30 107.32 113.47 3i1o s GLY 46 Ca -0.01 -1.08 0.08 0.00 0.00 0.00 0.00 44.72 43.71 3i1o s GLY 46 CO 0.01 -1.17 -0.10 -0.11 0.00 0.00 0.00 173.10 171.73 3i1o s PHE 47 N -2.80 2.08 -0.19 1.90 -0.71 -1.26 0.11 117.98 117.11 3i1o s PHE 47 Ca 0.02 -0.57 -0.08 0.00 -1.04 0.00 0.00 56.93 55.26 3i1o s PHE 47 Cb -0.00 -1.11 0.08 0.00 -1.21 0.00 0.00 43.02 40.78 3i1o s PHE 47 CO -0.04 0.44 0.42 0.20 -1.34 0.00 0.00 175.22 174.90 3i1o s GLY 48 N -3.47 -0.36 -0.24 1.99 0.00 0.39 -4.22 107.32 101.41 3i1o s GLY 48 Ca 0.29 1.53 -0.17 0.00 0.00 0.00 0.00 44.72 46.38 3i1o s GLY 48 CO 0.13 2.21 0.45 -0.47 0.00 0.00 0.00 173.10 175.41 3i1o s TYR 49 N 2.25 3.30 0.30 1.90 5.04 -1.26 -1.79 117.35 127.09 3i1o s TYR 49 Ca -0.04 0.58 0.10 0.00 -2.44 0.00 0.00 57.07 55.27 3i1o s TYR 49 Cb -0.11 -2.63 -0.06 0.00 0.35 0.00 0.00 41.96 39.52 3i1o s TYR 49 CO -0.13 -0.18 -0.13 0.20 -1.34 0.00 0.00 175.55 173.97 3i1o s GLY 50 N 1.41 1.94 -0.28 8.97 0.00 0.11 -4.62 107.32 114.86 3i1o s GLY 50 Ca 0.19 -1.94 -0.22 0.00 0.00 0.00 0.00 44.72 42.76 3i1o s GLY 50 CO 0.09 -1.95 0.75 1.25 0.00 0.00 0.00 173.10 173.24 3i1o s LYS 51 N -3.60 0.75 0.12 2.90 2.20 -1.26 -1.40 119.74 119.46 3i1o s LYS 51 Ca 0.30 1.03 -0.24 0.00 -0.36 0.00 0.00 55.97 56.70 3i1o s LYS 51 Cb -0.00 0.29 0.08 0.00 -1.51 0.00 0.00 37.83 36.69 3i1o s LYS 51 CO 0.14 -0.11 1.11 0.00 -0.36 0.00 0.00 175.35 176.13 3i1o s ALA 52 N 0.83 -1.85 -0.91 3.13 0.00 -0.94 -4.78 121.76 117.24 3i1o s ALA 52 Ca -0.03 -0.20 0.25 0.00 0.00 0.00 0.00 51.96 51.98 3i1o s ALA 52 Cb -0.05 0.79 1.02 0.00 0.00 0.00 0.00 23.12 24.88 3i1o s ALA 52 CO -0.07 -1.09 1.80 0.54 0.00 0.00 0.00 175.76 176.94 3i1o n ARG 53 N -0.75 0.07 -4.29 0.00 1.74 -1.26 -0.93 116.66 111.24 3i1o n ARG 53 Ca -0.01 0.12 -0.19 0.00 -0.77 0.00 0.00 57.85 57.00 3i1o n ARG 53 Cb 0.59 -1.59 -0.15 0.00 -1.02 0.00 0.00 32.46 30.29 3i1o n ARG 53 CO 0.00 0.00 0.00 -1.83 -1.52 0.00 0.00 177.63 174.28 3i1o s GLU 54 N -3.04 0.77 0.24 5.56 -1.05 -1.26 -4.59 118.70 115.34 3i1o s GLU 54 Ca 0.11 -0.23 -0.05 0.00 -0.15 0.00 0.00 54.97 54.65 3i1o s GLU 54 Cb 0.15 -0.74 0.46 0.00 -0.44 0.00 0.00 34.13 33.56 3i1o s GLU 54 CO 0.49 0.08 1.70 0.28 0.95 0.00 0.00 175.26 178.76 3i1o h VAL 55 N 5.41 0.55 0.73 1.83 2.07 -1.95 -0.84 116.25 124.05 3i1o h VAL 55 Ca -0.33 -0.11 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 3i1o h VAL 55 Cb 1.17 0.21 0.01 0.00 -1.52 0.00 0.00 31.29 31.16 3i1o h VAL 55 CO 0.49 0.06 -0.35 1.55 0.02 0.00 0.00 177.57 179.33 3i1o h PRO 56 N 0.31 -0.95 -0.84 1.57 0.13 -1.97 -1.22 132.00 129.03 3i1o h PRO 56 Ca 0.41 0.06 0.18 0.00 -0.87 0.00 0.00 66.00 65.79 3i1o h PRO 56 Cb 0.69 0.22 -0.11 0.00 0.13 0.00 0.00 31.00 31.93 3i1o h PRO 56 CO -0.48 -0.63 0.36 0.00 -0.23 0.00 0.00 178.00 177.02 3i1o h ALA 57 N -1.40 1.27 -0.03 -0.56 0.00 -1.93 0.53 119.26 117.15 3i1o h ALA 57 Ca -0.10 0.14 0.01 0.00 0.00 0.00 0.00 54.91 54.95 3i1o h ALA 57 Cb 0.76 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 3i1o h ALA 57 CO 0.17 -0.25 -0.20 0.00 0.00 0.00 0.00 179.25 178.96 3i1o h ALA 58 N 1.63 -0.63 -0.11 0.00 0.00 -1.00 0.13 119.26 119.28 3i1o h ALA 58 Ca 0.49 -0.03 0.03 0.00 0.00 0.00 0.00 54.91 55.41 3i1o h ALA 58 Cb 0.84 0.71 -0.00 0.00 0.00 0.00 0.00 17.79 19.33 3i1o h ALA 58 CO -0.46 -0.69 0.08 0.97 0.00 0.00 0.00 179.25 179.14 3i1o h ILE 59 N -0.23 0.94 0.33 0.00 2.10 -0.07 -0.41 117.51 120.18 3i1o h ILE 59 Ca 0.01 0.00 -0.00 0.00 1.08 0.00 0.00 64.86 65.94 3i1o h ILE 59 Cb 0.26 0.94 -0.03 0.00 -1.09 0.00 0.00 36.82 36.90 3i1o h ILE 59 CO -0.15 0.00 -0.49 -0.61 -1.08 0.00 0.00 178.15 175.83 3i1o h GLN 60 N 0.00 -0.83 -0.74 2.19 5.75 0.10 -1.07 115.11 120.52 3i1o h GLN 60 Ca 0.05 0.06 0.17 0.00 -0.15 0.00 0.00 58.65 58.78 3i1o h GLN 60 Cb 0.22 0.19 -0.12 0.00 1.07 0.00 0.00 27.48 28.83 3i1o h GLN 60 CO -0.00 -0.55 0.06 0.87 -2.65 0.00 0.00 178.83 176.56 3i1o h LYS 61 N -0.86 0.14 -0.61 1.69 1.57 0.85 0.29 116.57 119.65 3i1o h LYS 61 Ca -0.04 -0.01 0.10 0.00 -1.87 0.00 0.00 60.65 58.83 3i1o h LYS 61 Cb 0.78 -0.03 -0.08 0.00 0.08 0.00 0.00 32.23 32.98 3i1o h LYS 61 CO -0.14 0.10 0.20 0.00 -0.57 0.00 0.00 179.45 179.04 3i1o h ALA 62 N 1.67 0.78 0.20 3.86 0.00 -0.87 -0.69 119.26 124.22 3i1o h ALA 62 Ca 0.41 0.10 -0.01 0.00 0.00 0.00 0.00 54.91 55.41 3i1o h ALA 62 Cb 0.73 0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.61 3i1o h ALA 62 CO -0.61 -0.22 -0.09 0.52 0.00 0.00 0.00 179.25 178.84 3i1o h MET 63 N 0.37 -0.25 -0.89 0.00 2.86 0.56 -1.56 114.93 116.01 3i1o h MET 63 Ca 0.31 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 58.16 3i1o h MET 63 Cb 0.42 0.06 -0.11 0.00 0.06 0.00 0.00 31.60 32.03 3i1o h MET 63 CO -0.34 -0.01 0.45 0.93 1.06 0.00 0.00 176.91 179.01 3i1o h GLU 64 N -0.48 0.53 0.00 1.72 4.39 0.21 0.33 114.58 121.28 3i1o h GLU 64 Ca -0.03 -0.03 -0.25 0.00 0.34 0.00 0.00 59.36 59.39 3i1o h GLU 64 Cb 0.37 -0.12 -0.04 0.00 -0.10 0.00 0.00 28.75 28.86 3i1o h GLU 64 CO 0.04 0.35 -1.40 -0.22 -1.16 0.00 0.00 179.01 176.62 3i1o h LYS 65 N 0.55 0.00 -0.24 2.33 1.63 -1.17 -3.30 116.57 116.37 3i1o h LYS 65 Ca 0.52 0.00 -0.07 0.00 -0.85 0.00 0.00 60.65 60.25 3i1o h LYS 65 Cb 0.87 0.00 -0.01 0.00 -0.60 0.00 0.00 32.23 32.50 3i1o h LYS 65 CO -0.44 0.63 -0.14 0.00 -3.45 0.00 0.00 179.45 176.06 3i1o h ALA 66 N 1.06 0.34 -0.98 5.00 0.00 -0.41 -2.73 119.26 121.54 3i1o h ALA 66 Ca -0.18 -0.32 0.30 0.00 0.00 0.00 0.00 54.91 54.71 3i1o h ALA 66 Cb 1.87 -0.08 -0.18 0.00 0.00 0.00 0.00 17.79 19.40 3i1o h ALA 66 CO 0.09 0.22 0.14 -0.09 0.00 0.00 0.00 179.25 179.61 3i1o h ARG 67 N 0.23 0.02 0.00 0.00 9.65 -0.47 -3.37 114.38 120.44 3i1o h ARG 67 Ca 0.05 -0.00 0.00 0.00 -1.10 0.00 0.00 59.98 58.93 3i1o h ARG 67 Cb 0.65 -0.00 0.00 0.00 -1.39 0.00 0.00 29.97 29.22 3i1o h ARG 67 CO 0.04 0.01 0.00 0.54 2.80 0.00 0.00 179.97 183.36 3i1o n ARG 68 N -5.43 3.19 0.00 0.20 1.74 -1.03 -4.57 116.66 110.77 3i1o n ARG 68 Ca 0.26 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.34 3i1o n ARG 68 Cb 0.85 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.29 3i1o n ARG 68 CO 0.00 0.00 0.00 0.27 -1.52 0.00 0.00 177.63 176.38 3i1o n ASN 69 N 0.00 0.00 -4.77 0.55 6.94 -1.26 -4.86 115.26 111.87 3i1o n ASN 69 Ca 0.00 0.00 -0.35 0.00 -0.02 0.00 0.00 54.58 54.21 3i1o n ASN 69 Cb 0.00 0.00 -0.08 0.00 -2.36 0.00 0.00 39.78 37.34 3i1o n ASN 69 CO 0.00 0.00 0.00 -0.04 -1.03 0.00 0.00 177.26 176.19 3i1o s MET 70 N 0.00 3.14 0.06 -3.83 -1.94 -1.26 -4.37 119.30 111.09 3i1o s MET 70 Ca 0.00 -0.35 0.02 0.00 -1.71 0.00 0.00 55.69 53.65 3i1o s MET 70 Cb 0.00 -2.92 -0.04 0.00 2.01 0.00 0.00 34.83 33.88 3i1o s MET 70 CO 0.00 0.71 0.08 -1.50 -0.01 0.00 0.00 175.02 174.30 3i1o s ILE 71 N -1.01 4.59 -0.36 2.53 1.10 0.58 -4.91 121.20 123.72 3i1o s ILE 71 Ca 0.16 -0.67 -0.15 0.00 -0.51 0.00 0.00 60.65 59.49 3i1o s ILE 71 Cb -0.12 -3.18 -0.00 0.00 0.15 0.00 0.00 42.46 39.31 3i1o s ILE 71 CO 0.06 0.19 0.33 0.21 -2.11 0.00 0.00 174.94 173.61 3i1o s ASN 72 N -2.21 6.14 -0.21 4.50 3.84 -1.26 -1.30 114.94 124.44 3i1o s ASN 72 Ca 0.28 -0.45 -0.08 0.00 0.21 0.00 0.00 52.86 52.82 3i1o s ASN 72 Cb -0.12 -2.18 -0.04 0.00 -0.55 0.00 0.00 41.25 38.36 3i1o s ASN 72 CO 0.20 -0.36 0.08 -0.69 -2.79 0.00 0.00 177.10 173.54 3i1o s VAL 73 N 1.90 4.68 1.19 -5.21 1.01 0.56 -4.94 120.40 119.59 3i1o s VAL 73 Ca 0.09 -0.06 -0.15 0.00 0.00 0.00 0.00 61.98 61.85 3i1o s VAL 73 Cb -0.17 -3.14 0.25 0.00 0.00 0.00 0.00 36.38 33.31 3i1o s VAL 73 CO 0.11 0.40 0.66 0.00 0.00 0.00 0.00 175.10 176.28 3i1o n ALA 74 N 4.13 -3.54 0.00 5.51 0.00 -1.26 -4.52 120.51 120.83 3i1o n ALA 74 Ca -0.16 -1.31 0.00 0.00 0.00 0.00 0.00 53.44 51.97 3i1o n ALA 74 Cb 0.52 -1.79 0.00 0.00 0.00 0.00 0.00 19.45 18.18 3i1o n ALA 74 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1o n LEU 75 N -3.96 0.00 -3.91 0.00 -0.00 -1.26 -4.94 117.00 102.92 3i1o n LEU 75 Ca 0.02 0.00 -0.15 0.00 -0.00 0.00 0.00 56.01 55.88 3i1o n LEU 75 Cb 0.57 0.00 -0.15 0.00 -0.00 0.00 0.00 43.42 43.84 3i1o n LEU 75 CO 0.55 0.00 -0.39 0.20 -0.00 0.00 0.00 177.39 177.75 3i1o s ASN 76 N 0.00 0.47 0.00 1.96 0.02 -1.20 -4.84 114.94 111.35 3i1o s ASN 76 Ca 0.00 -0.07 0.00 0.00 -1.02 0.00 0.00 52.86 51.77 3i1o s ASN 76 Cb 0.00 -0.10 0.00 0.00 0.02 0.00 0.00 41.25 41.17 3i1o s ASN 76 CO 0.00 0.02 0.00 -3.20 0.02 0.00 0.00 177.10 173.94 3i1o n ASN 77 N 3.23 0.00 0.00 -1.22 2.85 -1.26 -0.18 115.26 118.68 3i1o n ASN 77 Ca -0.16 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.31 3i1o n ASN 77 Cb 0.57 -0.43 0.00 0.00 1.24 0.00 0.00 39.78 41.15 3i1o n ASN 77 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 3i1o n GLY 78 N -2.00 0.71 3.80 8.20 0.00 -1.26 -5.06 105.19 109.58 3i1o n GLY 78 Ca 0.00 -0.15 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 3i1o n GLY 78 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3i1o s THR 79 N -2.00 1.43 -2.10 2.61 -1.32 0.74 -4.35 115.64 110.64 3i1o s THR 79 Ca 0.00 -1.82 0.29 0.00 -1.21 0.00 0.00 61.69 58.95 3i1o s THR 79 Cb 0.00 -2.25 0.78 0.00 -1.51 0.00 0.00 72.50 69.52 3i1o s THR 79 CO 0.00 0.00 2.05 -0.11 -2.21 0.00 0.00 174.62 174.35 3i1o n LEU 80 N -1.41 0.34 0.00 9.08 -0.00 -1.26 -3.26 117.00 120.49 3i1o n LEU 80 Ca -0.12 -0.12 0.00 0.00 -0.00 0.00 0.00 56.01 55.77 3i1o n LEU 80 Cb 0.66 -0.00 0.00 0.00 -0.00 0.00 0.00 43.42 44.08 3i1o n LEU 80 CO 0.39 0.06 0.00 1.67 -0.00 0.00 0.00 177.39 179.51 3i1o n GLN 81 N -0.71 0.00 -4.42 1.96 -0.06 -1.26 -4.78 117.38 108.12 3i1o n GLN 81 Ca 0.21 0.00 -0.26 0.00 -2.00 0.00 0.00 57.00 54.95 3i1o n GLN 81 Cb 0.16 0.00 -0.12 0.00 -4.06 0.00 0.00 30.24 26.22 3i1o n GLN 81 CO 0.00 0.00 0.00 -3.38 -0.20 0.00 0.00 177.06 173.48 3i1o s HIS 82 N 0.00 2.27 0.33 3.69 -3.43 -1.26 -4.76 115.29 112.12 3i1o s HIS 82 Ca 0.00 -0.36 -0.29 0.00 -0.80 0.00 0.00 55.06 53.61 3i1o s HIS 82 Cb 0.00 -1.12 -0.12 0.00 -1.43 0.00 0.00 32.58 29.91 3i1o s HIS 82 CO 0.00 0.50 1.44 -0.35 -2.00 0.00 0.00 174.74 174.33 3i1o n PRO 83 N 0.24 2.42 -3.91 -0.38 -0.04 -1.26 -4.72 135.00 127.35 3i1o n PRO 83 Ca -0.12 0.85 -0.09 0.00 -0.04 0.00 0.00 63.50 64.10 3i1o n PRO 83 Cb 0.56 -2.54 -0.08 0.00 -0.04 0.00 0.00 33.50 31.40 3i1o n PRO 83 CO 0.00 0.00 0.00 0.54 -0.04 0.00 0.00 175.50 176.00 3i1o s VAL 84 N -0.69 0.15 0.12 0.52 0.11 -0.80 -5.04 120.40 114.77 3i1o s VAL 84 Ca 0.59 -1.26 0.09 0.00 -2.93 0.00 0.00 61.98 58.46 3i1o s VAL 84 Cb -0.53 -1.29 -0.04 0.00 -1.53 0.00 0.00 36.38 32.99 3i1o s VAL 84 CO 0.58 -0.70 -0.23 -0.75 -3.33 0.00 0.00 175.10 170.67 3i1o s LYS 85 N -3.64 1.23 0.15 1.54 2.20 -1.26 -2.37 119.74 117.59 3i1o s LYS 85 Ca 0.03 -1.24 0.01 0.00 -0.36 0.00 0.00 55.97 54.41 3i1o s LYS 85 Cb 0.04 -1.57 -0.04 0.00 -1.51 0.00 0.00 37.83 34.75 3i1o s LYS 85 CO -0.10 0.37 0.00 0.20 -0.36 0.00 0.00 175.35 175.47 3i1o s GLY 86 N -2.00 1.08 -0.11 5.54 0.00 -0.03 -4.70 107.32 107.10 3i1o s GLY 86 Ca 0.10 -1.52 -0.27 0.00 0.00 0.00 0.00 44.72 43.03 3i1o s GLY 86 CO 0.05 -1.47 0.63 -1.34 0.00 0.00 0.00 173.10 170.97 3i1o s VAL 87 N -3.75 0.01 -0.30 1.40 -7.23 -1.25 -1.56 120.40 107.71 3i1o s VAL 87 Ca 0.22 -0.05 -0.11 0.00 -1.81 0.00 0.00 61.98 60.23 3i1o s VAL 87 Cb 0.06 -0.93 0.14 0.00 0.56 0.00 0.00 36.38 36.21 3i1o s VAL 87 CO 0.02 -0.03 0.70 -2.28 -0.31 0.00 0.00 175.10 173.20 3i1o s HIS 88 N -0.74 -1.25 0.00 2.82 2.46 -0.87 -4.72 115.29 112.99 3i1o s HIS 88 Ca -0.08 2.14 0.00 0.00 0.47 0.00 0.00 55.06 57.59 3i1o s HIS 88 Cb -0.02 0.74 0.00 0.00 -0.13 0.00 0.00 32.58 33.17 3i1o s HIS 88 CO 0.07 -0.62 0.00 0.25 -2.47 0.00 0.00 174.74 171.97 3i1o n THR 89 N 5.37 0.00 0.00 0.89 -2.24 -1.26 -2.40 114.28 114.65 3i1o n THR 89 Ca -0.11 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.67 3i1o n THR 89 Cb 0.50 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.73 3i1o n THR 89 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1o n GLY 90 N 0.00 -3.19 3.81 3.38 0.00 -1.26 -4.84 105.19 103.08 3i1o n GLY 90 Ca 0.00 0.31 -0.33 0.00 0.00 0.00 0.00 46.02 46.00 3i1o n GLY 90 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 3i1o s SER 91 N -2.40 5.81 -0.10 1.61 0.15 -1.01 -4.32 113.70 113.45 3i1o s SER 91 Ca 0.00 1.79 0.00 0.00 0.70 0.00 0.00 55.95 58.44 3i1o s SER 91 Cb 0.00 -2.53 0.02 0.00 -1.71 0.00 0.00 66.02 61.80 3i1o s SER 91 CO 0.00 -1.15 -0.09 -0.13 1.20 0.00 0.00 173.24 173.08 3i1o s ARG 92 N -4.13 1.56 -0.03 5.44 0.52 -1.20 -2.06 118.95 119.05 3i1o s ARG 92 Ca 0.63 -0.30 0.07 0.00 -0.52 0.00 0.00 55.73 55.61 3i1o s ARG 92 Cb -0.16 -1.53 -0.01 0.00 0.52 0.00 0.00 34.95 33.77 3i1o s ARG 92 CO 0.38 -0.18 -0.23 0.14 0.02 0.00 0.00 175.30 175.42 3i1o s VAL 93 N 1.41 1.88 -0.03 3.52 -7.23 -0.60 -2.13 120.40 117.21 3i1o s VAL 93 Ca -0.01 -1.00 0.07 0.00 -1.81 0.00 0.00 61.98 59.24 3i1o s VAL 93 Cb -0.13 -1.57 -0.02 0.00 0.56 0.00 0.00 36.38 35.22 3i1o s VAL 93 CO -0.05 0.53 -0.25 0.12 -0.31 0.00 0.00 175.10 175.14 3i1o s PHE 94 N -0.38 2.33 0.01 2.82 5.36 -0.34 -0.85 117.98 126.92 3i1o s PHE 94 Ca 0.04 -0.52 -0.02 0.00 -0.96 0.00 0.00 56.93 55.48 3i1o s PHE 94 Cb -0.11 -1.51 -0.01 0.00 -0.34 0.00 0.00 43.02 41.05 3i1o s PHE 94 CO 0.01 -0.09 0.02 0.00 -1.46 0.00 0.00 175.22 173.69 3i1o s MET 95 N -0.47 0.26 -0.02 10.12 0.00 -1.00 -0.78 119.30 127.41 3i1o s MET 95 Ca 0.06 -0.37 0.00 0.00 0.00 0.00 0.00 55.69 55.38 3i1o s MET 95 Cb -0.11 0.10 0.02 0.00 0.00 0.00 0.00 34.83 34.84 3i1o s MET 95 CO 0.00 -0.05 0.00 -1.14 0.00 0.00 0.00 175.02 173.84 3i1o s GLN 96 N -1.00 0.15 -0.25 3.16 -0.44 0.34 -1.91 119.66 119.71 3i1o s GLN 96 Ca -0.11 0.06 -0.28 0.00 -2.50 0.00 0.00 55.36 52.53 3i1o s GLN 96 Cb -0.07 -0.29 -0.04 0.00 -1.64 0.00 0.00 33.01 30.97 3i1o s GLN 96 CO -0.00 -0.08 1.97 -1.25 0.50 0.00 0.00 175.29 176.43 3i1o s PRO 97 N 0.66 3.33 0.25 1.67 0.04 -1.26 -1.22 135.00 138.46 3i1o s PRO 97 Ca -0.06 1.77 -0.19 0.00 0.04 0.00 0.00 61.00 62.56 3i1o s PRO 97 Cb -0.09 -4.26 -0.08 0.00 0.04 0.00 0.00 34.50 30.11 3i1o s PRO 97 CO -0.01 -1.87 0.73 0.00 0.04 0.00 0.00 177.00 175.88 3i1o s ALA 98 N 7.23 3.39 0.31 8.56 0.00 0.30 -4.89 121.76 136.66 3i1o s ALA 98 Ca 0.88 0.14 -0.29 0.00 0.00 0.00 0.00 51.96 52.70 3i1o s ALA 98 Cb -0.28 -2.81 -0.10 0.00 0.00 0.00 0.00 23.12 19.93 3i1o s ALA 98 CO 0.34 0.33 1.26 0.45 0.00 0.00 0.00 175.76 178.14 3i1o s SER 99 N -1.79 6.89 0.91 0.00 0.15 -1.26 -4.64 113.70 113.96 3i1o s SER 99 Ca 0.46 2.58 -0.17 0.00 0.70 0.00 0.00 55.95 59.52 3i1o s SER 99 Cb -0.15 -2.64 -0.15 0.00 -1.71 0.00 0.00 66.02 61.37 3i1o s SER 99 CO 0.20 -0.44 -0.68 -0.62 1.20 0.00 0.00 173.24 172.89 3i1o n GLU 100 N 0.96 0.00 -2.18 5.44 4.71 -1.26 -3.46 120.64 124.84 3i1o n GLU 100 Ca -0.00 0.00 -0.16 0.00 -0.01 0.00 0.00 57.16 56.99 3i1o n GLU 100 Cb 0.42 -0.99 -0.02 0.00 -1.01 0.00 0.00 31.44 29.85 3i1o n GLU 100 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 3i1o n GLY 101 N 3.30 -0.01 0.00 0.62 0.00 -1.26 -4.69 105.19 103.15 3i1o n GLY 101 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 46.02 45.82 3i1o n GLY 101 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 3i1o n THR 102 N -3.78 0.00 -0.70 2.61 -2.24 -1.23 -5.15 114.28 103.78 3i1o n THR 102 Ca -0.19 0.00 -0.28 0.00 -2.27 0.00 0.00 64.05 61.31 3i1o n THR 102 Cb 0.63 0.05 0.25 0.00 -2.10 0.00 0.00 70.33 69.16 3i1o n THR 102 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3i1o n GLY 103 N 0.00 -3.20 2.16 3.38 0.00 -0.94 -4.48 105.19 102.10 3i1o n GLY 103 Ca 0.00 -1.41 -0.08 0.00 0.00 0.00 0.00 46.02 44.52 3i1o n GLY 103 CO 0.00 0.00 0.00 4.51 0.00 0.00 0.00 173.32 177.83 3i1o n ILE 104 N -5.03 -0.37 -2.73 -0.61 0.13 -1.11 -4.53 119.36 105.11 3i1o n ILE 104 Ca 0.13 0.00 -0.42 0.00 -1.10 0.00 0.00 62.75 61.36 3i1o n ILE 104 Cb 0.54 -1.45 -0.03 0.00 -0.84 0.00 0.00 39.64 37.86 3i1o n ILE 104 CO 0.00 0.00 0.00 -0.63 2.80 0.00 0.00 176.55 178.72 3i1o s ILE 105 N -2.40 4.13 0.39 9.51 1.01 0.56 -4.90 121.20 129.49 3i1o s ILE 105 Ca 0.00 -0.31 -0.11 0.00 0.00 0.00 0.00 60.65 60.23 3i1o s ILE 105 Cb 0.00 -4.82 0.04 0.00 0.01 0.00 0.00 42.46 37.70 3i1o s ILE 105 CO 0.00 -1.65 0.71 0.00 0.00 0.00 0.00 174.94 174.00 3i1o s ALA 106 N 4.55 -0.27 0.70 9.38 0.00 -1.26 -2.64 121.76 132.21 3i1o s ALA 106 Ca 0.30 -1.01 0.00 0.00 0.00 0.00 0.00 51.96 51.26 3i1o s ALA 106 Cb -0.10 0.79 0.00 0.00 0.00 0.00 0.00 23.12 23.81 3i1o s ALA 106 CO 0.07 -0.93 0.00 0.41 0.00 0.00 0.00 175.76 175.31 3i1o n GLY 107 N -0.55 0.64 0.08 0.00 0.00 -1.26 -4.75 105.19 99.35 3i1o n GLY 107 Ca -0.06 -1.68 -0.14 0.00 0.00 0.00 0.00 46.02 44.14 3i1o n GLY 107 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 3i1o h GLY 108 N 0.00 0.11 0.20 -0.02 0.00 -1.99 -2.67 103.07 98.70 3i1o h GLY 108 Ca 0.00 -0.15 -0.38 0.00 0.00 0.00 0.00 47.33 46.80 3i1o h GLY 108 CO 0.00 0.13 -2.32 0.00 0.00 0.00 0.00 176.54 174.36 3i1o n ALA 109 N -2.45 1.28 -0.16 3.60 0.00 -1.26 -4.18 120.51 117.34 3i1o n ALA 109 Ca -0.09 -0.96 0.20 0.00 0.00 0.00 0.00 53.44 52.59 3i1o n ALA 109 Cb 0.37 -0.29 0.57 0.00 0.00 0.00 0.00 19.45 20.10 3i1o n ALA 109 CO 0.00 0.00 0.00 0.52 0.00 0.00 0.00 177.50 178.02 3i1o h MET 110 N 0.02 0.27 0.00 0.00 2.07 -1.89 -2.83 114.93 112.57 3i1o h MET 110 Ca -0.53 -0.02 0.00 0.00 -2.07 0.00 0.00 59.70 57.09 3i1o h MET 110 Cb 1.96 -0.06 0.00 0.00 -1.87 0.00 0.00 31.60 31.63 3i1o h MET 110 CO -0.03 0.18 0.00 -2.13 1.07 0.00 0.00 176.91 176.00 3i1o n ARG 111 N -4.44 0.00 0.00 1.72 3.00 -1.01 -2.53 116.66 113.40 3i1o n ARG 111 Ca 0.16 0.47 0.00 0.00 -0.00 0.00 0.00 57.85 58.48 3i1o n ARG 111 Cb 0.67 -1.25 0.00 0.00 0.00 0.00 0.00 32.46 31.87 3i1o n ARG 111 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 3i1o n ALA 112 N -1.59 -0.05 -0.19 5.13 0.00 -1.07 -1.30 120.51 121.44 3i1o n ALA 112 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 3i1o n ALA 112 Cb 0.00 0.44 0.03 0.00 0.00 0.00 0.00 19.45 19.92 3i1o n ALA 112 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3i1o n VAL 113 N -2.81 -0.25 0.05 0.00 0.31 -1.21 -0.25 118.33 114.17 3i1o n VAL 113 Ca 0.00 1.15 -0.13 0.00 -0.01 0.00 0.00 64.34 65.35 3i1o n VAL 113 Cb 0.00 -1.54 -0.09 0.00 -0.91 0.00 0.00 33.84 31.30 3i1o n VAL 113 CO 0.00 0.00 0.00 -0.07 -1.32 0.00 0.00 176.83 175.44 3i1o h LEU 114 N 0.00 -0.12 -0.58 7.52 3.38 -0.90 -2.94 115.31 121.65 3i1o h LEU 114 Ca 0.19 -0.33 0.00 0.00 0.09 0.00 0.00 57.88 57.83 3i1o h LEU 114 Cb 0.31 0.03 0.00 0.00 0.09 0.00 0.00 40.66 41.10 3i1o h LEU 114 CO -0.50 0.28 0.00 -1.84 0.09 0.00 0.00 178.44 176.48 3i1o n GLU 115 N -4.97 0.37 0.00 1.13 0.28 0.66 -1.13 120.64 116.98 3i1o n GLU 115 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.91 3i1o n GLU 115 Cb 0.23 -1.11 0.00 0.00 1.43 0.00 0.00 31.44 31.99 3i1o n GLU 115 CO 0.00 0.00 0.00 1.33 -0.16 0.00 0.00 177.13 178.30 3i1o n VAL 116 N -0.02 0.00 1.01 3.84 0.24 -1.17 -4.74 118.33 117.48 3i1o n VAL 116 Ca 0.00 -0.00 0.12 0.00 -2.04 0.00 0.00 64.34 62.41 3i1o n VAL 116 Cb 0.05 0.84 0.16 0.00 -1.47 0.00 0.00 33.84 33.42 3i1o n VAL 116 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i1o n ALA 117 N -0.01 3.85 -0.35 2.33 0.00 -0.28 -3.52 120.51 122.53 3i1o n ALA 117 Ca 0.00 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.02 3i1o n ALA 117 Cb 0.00 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.42 3i1o n ALA 117 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1o n GLY 118 N 1.50 0.50 3.60 0.00 0.00 -1.16 -3.11 105.19 106.50 3i1o n GLY 118 Ca 0.05 -0.58 -0.07 0.00 0.00 0.00 0.00 46.02 45.42 3i1o n GLY 118 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3i1o s VAL 119 N -1.56 -0.05 -0.03 1.61 -7.23 -1.22 -4.83 120.40 107.09 3i1o s VAL 119 Ca 0.00 0.01 0.16 0.00 -1.81 0.00 0.00 61.98 60.34 3i1o s VAL 119 Cb 0.00 -0.95 0.30 0.00 0.56 0.00 0.00 36.38 36.28 3i1o s VAL 119 CO 0.00 0.00 1.13 1.41 -0.31 0.00 0.00 175.10 177.33 3i1o n HIS 120 N 4.36 0.00 -2.58 2.82 -0.00 -1.26 -4.39 115.22 114.18 3i1o n HIS 120 Ca -0.20 -0.50 -0.15 0.00 -0.00 0.00 0.00 57.72 56.87 3i1o n HIS 120 Cb 0.58 -0.13 0.02 0.00 -0.00 0.00 0.00 29.99 30.46 3i1o n HIS 120 CO 0.00 0.00 0.00 0.27 -0.00 0.00 0.00 176.34 176.61 3i1o n ASN 121 N 0.05 2.78 -4.49 0.41 6.94 -1.26 -2.22 115.26 117.46 3i1o n ASN 121 Ca 0.06 -3.06 -0.34 0.00 -0.02 0.00 0.00 54.58 51.22 3i1o n ASN 121 Cb 0.93 -0.49 -0.12 0.00 -2.36 0.00 0.00 39.78 37.74 3i1o n ASN 121 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3i1o s VAL 122 N -4.10 4.05 -0.10 3.53 1.01 -1.26 0.11 120.40 123.64 3i1o s VAL 122 Ca 0.36 -0.29 0.02 0.00 0.00 0.00 0.00 61.98 62.06 3i1o s VAL 122 Cb 0.42 -2.81 -0.02 0.00 0.00 0.00 0.00 36.38 33.98 3i1o s VAL 122 CO -0.05 0.45 -0.15 -0.76 0.00 0.00 0.00 175.10 174.60 3i1o s LEU 123 N 0.71 2.64 -0.29 3.92 1.43 -0.36 -0.33 118.68 126.42 3i1o s LEU 123 Ca -0.00 -0.31 -0.22 0.00 -1.03 0.00 0.00 54.13 52.57 3i1o s LEU 123 Cb -0.14 -1.56 0.14 0.00 0.03 0.00 0.00 46.19 44.65 3i1o s LEU 123 CO 0.02 0.23 1.06 0.00 0.23 0.00 0.00 176.35 177.90 3i1o s ALA 124 N -0.06 -2.09 0.18 4.21 0.00 -1.08 0.13 121.76 123.04 3i1o s ALA 124 Ca -0.03 1.95 0.09 0.00 0.00 0.00 0.00 51.96 53.97 3i1o s ALA 124 Cb -0.14 -1.56 -0.04 0.00 0.00 0.00 0.00 23.12 21.38 3i1o s ALA 124 CO 0.04 -0.25 -0.19 0.21 0.00 0.00 0.00 175.76 175.57 3i1o s LYS 125 N 0.53 1.33 -0.39 0.00 2.20 0.04 -4.48 119.74 118.96 3i1o s LYS 125 Ca 0.00 -1.46 0.03 0.00 -0.36 0.00 0.00 55.97 54.18 3i1o s LYS 125 Cb -0.05 -1.39 0.11 0.00 -1.51 0.00 0.00 37.83 35.00 3i1o s LYS 125 CO -0.10 0.28 0.14 0.00 -0.36 0.00 0.00 175.35 175.31 3i1o s ALA 126 N -2.12 2.60 1.15 3.13 0.00 -1.26 -1.20 121.76 124.05 3i1o s ALA 126 Ca 0.18 -2.55 -0.18 0.00 0.00 0.00 0.00 51.96 49.41 3i1o s ALA 126 Cb -0.05 -1.93 0.26 0.00 0.00 0.00 0.00 23.12 21.40 3i1o s ALA 126 CO 0.07 -1.83 1.12 0.71 0.00 0.00 0.00 175.76 175.83 3i1o s TYR 127 N 0.66 0.87 0.02 0.00 1.51 -0.91 -4.86 117.35 114.65 3i1o s TYR 127 Ca 0.13 0.58 0.00 0.00 -1.01 0.00 0.00 57.07 56.78 3i1o s TYR 127 Cb -0.21 -3.44 0.00 0.00 -0.11 0.00 0.00 41.96 38.19 3i1o s TYR 127 CO -0.08 -3.63 0.00 0.41 -1.11 0.00 0.00 175.55 171.14 3i1o n GLY 128 N -1.12 -2.08 3.71 0.71 0.00 -1.26 -3.24 105.19 101.92 3i1o n GLY 128 Ca 0.12 -1.42 -0.42 0.00 0.00 0.00 0.00 46.02 44.29 3i1o n GLY 128 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3i1o s SER 129 N -3.38 6.75 -0.68 1.61 1.04 -1.26 -4.90 113.70 112.88 3i1o s SER 129 Ca 0.00 2.40 -0.02 0.00 0.48 0.00 0.00 55.95 58.81 3i1o s SER 129 Cb 0.00 -2.58 0.44 0.00 0.10 0.00 0.00 66.02 63.98 3i1o s SER 129 CO 0.00 -0.72 2.01 0.35 0.98 0.00 0.00 173.24 175.86 3i1o n THR 130 N 4.06 3.60 -2.05 2.02 -2.24 -1.26 -3.60 114.28 114.81 3i1o n THR 130 Ca 0.13 -3.11 -0.42 0.00 -2.27 0.00 0.00 64.05 58.37 3i1o n THR 130 Cb 0.41 -1.17 -0.03 0.00 -2.10 0.00 0.00 70.33 67.45 3i1o n THR 130 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 3i1o s ASN 131 N -1.81 5.84 0.10 3.42 3.04 -1.26 -4.85 114.94 119.43 3i1o s ASN 131 Ca 0.63 1.07 -0.21 0.00 0.04 0.00 0.00 52.86 54.39 3i1o s ASN 131 Cb 0.50 -2.53 -0.05 0.00 -1.54 0.00 0.00 41.25 37.63 3i1o s ASN 131 CO -0.05 -1.79 1.36 1.55 -3.04 0.00 0.00 177.10 175.13 3i1o h PRO 132 N 12.95 -0.04 0.00 0.43 0.13 -1.97 0.15 132.00 143.65 3i1o h PRO 132 Ca -0.31 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.82 3i1o h PRO 132 Cb 1.16 0.01 0.00 0.00 0.13 0.00 0.00 31.00 32.30 3i1o h PRO 132 CO 1.07 -0.03 0.43 0.44 -0.23 0.00 0.00 178.00 179.68 3i1o n ILE 133 N -4.49 0.46 -0.08 -3.56 -5.35 -1.26 0.15 119.36 105.22 3i1o n ILE 133 Ca 0.01 0.72 -0.16 0.00 -0.27 0.00 0.00 62.75 63.04 3i1o n ILE 133 Cb 0.18 -1.72 -0.05 0.00 -1.74 0.00 0.00 39.64 36.31 3i1o n ILE 133 CO 0.00 0.00 0.00 -3.20 -1.76 0.00 0.00 176.55 171.59 3i1o n ASN 134 N -1.86 1.47 -0.34 7.28 2.85 0.16 -4.48 115.26 120.34 3i1o n ASN 134 Ca -0.01 0.25 0.03 0.00 -0.11 0.00 0.00 54.58 54.74 3i1o n ASN 134 Cb 0.44 -0.59 0.10 0.00 1.24 0.00 0.00 39.78 40.97 3i1o n ASN 134 CO 0.00 0.00 0.00 0.58 -2.11 0.00 0.00 177.26 175.73 3i1o h VAL 135 N -0.70 0.05 0.51 3.44 2.07 0.23 -1.36 116.25 120.49 3i1o h VAL 135 Ca -0.34 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.16 3i1o h VAL 135 Cb 1.21 0.05 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 3i1o h VAL 135 CO -0.21 0.00 -0.48 1.62 0.02 0.00 0.00 177.57 178.53 3i1o h VAL 136 N -0.01 0.06 0.00 2.57 3.04 -0.83 -1.51 116.25 119.57 3i1o h VAL 136 Ca 0.41 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.10 3i1o h VAL 136 Cb 0.66 0.06 0.00 0.00 -2.01 0.00 0.00 31.29 30.00 3i1o h VAL 136 CO -0.96 0.00 0.00 0.08 -1.01 0.00 0.00 177.57 175.68 3i1o h ARG 137 N -0.98 0.00 -0.07 4.17 0.11 -1.61 -0.37 114.38 115.63 3i1o h ARG 137 Ca -0.06 0.00 -0.01 0.00 0.10 0.00 0.00 59.98 60.01 3i1o h ARG 137 Cb 0.85 0.00 -0.00 0.00 1.11 0.00 0.00 29.97 31.93 3i1o h ARG 137 CO -0.04 0.00 -0.00 0.00 0.10 0.00 0.00 179.97 180.02 3i1o h ALA 138 N 2.03 0.10 0.00 0.08 0.00 -0.23 -1.62 119.26 119.62 3i1o h ALA 138 Ca 0.00 -0.18 -0.11 0.00 0.00 0.00 0.00 54.91 54.63 3i1o h ALA 138 Cb 0.09 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3i1o h ALA 138 CO 0.00 -0.22 -0.50 1.79 0.00 0.00 0.00 179.25 180.32 3i1o h THR 139 N -0.17 1.30 -0.17 0.00 1.35 -0.73 -0.66 112.91 113.84 3i1o h THR 139 Ca 0.02 -1.75 -0.10 0.00 -0.55 0.00 0.00 66.41 64.03 3i1o h THR 139 Cb 0.35 1.96 -0.00 0.00 -1.73 0.00 0.00 68.15 68.73 3i1o h THR 139 CO 0.00 0.49 -0.30 0.40 -0.25 0.00 0.00 175.52 175.87 3i1o h ILE 140 N 0.00 1.35 -0.15 6.82 2.04 -1.38 1.48 117.51 127.67 3i1o h ILE 140 Ca -0.01 -1.53 -0.01 0.00 1.00 0.00 0.00 64.86 64.31 3i1o h ILE 140 Cb 0.92 1.92 -0.01 0.00 -0.74 0.00 0.00 36.82 38.91 3i1o h ILE 140 CO 0.07 0.46 0.05 0.44 0.00 0.00 0.00 178.15 179.17 3i1o h ASP 141 N 0.14 0.18 0.45 1.72 3.32 -1.15 -3.08 116.42 118.01 3i1o h ASP 141 Ca 0.01 -0.01 -0.02 0.00 0.02 0.00 0.00 57.03 57.03 3i1o h ASP 141 Cb 0.88 -0.04 0.00 0.00 0.22 0.00 0.00 39.33 40.39 3i1o h ASP 141 CO 0.07 0.17 -0.22 1.23 -1.72 0.00 0.00 179.24 178.78 3i1o h GLY 142 N 0.32 -0.63 -6.98 2.75 0.00 -0.21 -3.28 103.07 95.05 3i1o h GLY 142 Ca 0.05 0.23 -0.53 0.00 0.00 0.00 0.00 47.33 47.08 3i1o h GLY 142 CO -0.00 -0.23 1.29 1.04 0.00 0.00 0.00 176.54 178.64 3i1o n LEU 143 N -4.58 1.27 0.00 3.11 4.77 0.50 -1.35 117.00 120.72 3i1o n LEU 143 Ca -0.07 -1.72 0.00 0.00 -0.03 0.00 0.00 56.01 54.19 3i1o n LEU 143 Cb 0.24 -0.69 0.00 0.00 -2.33 0.00 0.00 43.42 40.64 3i1o n LEU 143 CO 0.18 -2.06 0.00 1.21 -1.33 0.00 0.00 177.39 175.39 3i1o n GLU 144 N 7.95 0.00 0.01 3.23 0.00 -1.24 -4.79 120.64 125.79 3i1o n GLU 144 Ca 0.47 0.00 0.11 0.00 0.00 0.00 0.00 57.16 57.73 3i1o n GLU 144 Cb 0.42 0.00 -0.11 0.00 0.00 0.00 0.00 31.44 31.76 3i1o n GLU 144 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 3i1o n ASN 145 N -0.04 0.45 -4.77 4.31 3.02 -0.46 -4.93 115.26 112.85 3i1o n ASN 145 Ca 0.00 -0.31 -0.41 0.00 -0.03 0.00 0.00 54.58 53.83 3i1o n ASN 145 Cb 0.00 1.39 -0.02 0.00 -0.61 0.00 0.00 39.78 40.54 3i1o n ASN 145 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1o s MET 146 N -3.30 4.29 -0.11 3.52 0.23 -1.25 -5.01 119.30 117.68 3i1o s MET 146 Ca -0.01 2.30 -0.05 0.00 -1.03 0.00 0.00 55.69 56.91 3i1o s MET 146 Cb 0.14 -3.05 -0.04 0.00 -1.53 0.00 0.00 34.83 30.36 3i1o s MET 146 CO 0.87 -0.28 0.07 -0.80 -2.03 0.00 0.00 175.02 172.84 3i1o s ASN 147 N -0.35 5.75 0.26 -1.18 0.01 -1.26 -4.77 114.94 113.40 3i1o s ASN 147 Ca 0.50 0.27 -0.29 0.00 -0.71 0.00 0.00 52.86 52.63 3i1o s ASN 147 Cb -0.41 -1.78 -0.09 0.00 0.41 0.00 0.00 41.25 39.38 3i1o s ASN 147 CO 0.55 0.37 1.00 -0.55 -1.51 0.00 0.00 177.10 176.95 3i1o s SER 148 N -0.79 7.48 0.24 -1.22 0.15 -1.26 -4.85 113.70 113.45 3i1o s SER 148 Ca 0.13 2.05 -0.04 0.00 0.70 0.00 0.00 55.95 58.78 3i1o s SER 148 Cb -0.12 -2.61 0.41 0.00 -1.71 0.00 0.00 66.02 61.99 3i1o s SER 148 CO 0.03 0.03 1.80 -0.65 1.20 0.00 0.00 173.24 175.65 3i1o h PRO 149 N 3.93 0.73 -0.38 5.44 0.11 -1.98 0.93 132.00 140.78 3i1o h PRO 149 Ca -0.46 -0.04 0.11 0.00 0.11 0.00 0.00 66.00 65.72 3i1o h PRO 149 Cb 1.20 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 3i1o h PRO 149 CO 0.67 0.48 0.43 0.93 -0.21 0.00 0.00 178.00 180.31 3i1o h GLU 150 N 0.75 0.00 0.00 1.05 4.39 -2.00 0.75 114.58 119.52 3i1o h GLU 150 Ca 0.40 0.00 -0.14 0.00 0.34 0.00 0.00 59.36 59.96 3i1o h GLU 150 Cb 0.40 0.00 -0.02 0.00 -0.10 0.00 0.00 28.75 29.02 3i1o h GLU 150 CO -0.26 0.00 -1.44 -0.12 -1.16 0.00 0.00 179.01 176.02 3i1o n MET 151 N -3.66 0.62 0.17 2.33 1.56 0.30 -3.42 117.12 115.03 3i1o n MET 151 Ca 0.07 0.16 0.08 0.00 -0.27 0.00 0.00 57.70 57.73 3i1o n MET 151 Cb 0.60 -1.77 0.09 0.00 2.15 0.00 0.00 33.22 34.28 3i1o n MET 151 CO 0.00 0.00 0.00 0.28 -0.73 0.00 0.00 175.97 175.52 3i1o h VAL 152 N 0.00 0.31 -0.09 1.12 2.07 0.11 -3.05 116.25 116.71 3i1o h VAL 152 Ca -0.14 -1.46 -0.19 0.00 0.82 0.00 0.00 66.70 65.72 3i1o h VAL 152 Cb 1.47 2.08 -0.00 0.00 -1.52 0.00 0.00 31.29 33.32 3i1o h VAL 152 CO 0.03 0.18 -0.72 0.00 0.02 0.00 0.00 177.57 177.08 3i1o h ALA 153 N 1.80 0.56 -0.76 1.67 0.00 -1.18 -2.71 119.26 118.64 3i1o h ALA 153 Ca -0.01 -0.60 0.16 0.00 0.00 0.00 0.00 54.91 54.46 3i1o h ALA 153 Cb 1.16 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 18.85 3i1o h ALA 153 CO 0.02 0.75 0.51 0.00 0.00 0.00 0.00 179.25 180.53 3i1o h ALA 154 N 0.89 2.18 0.00 0.00 0.00 -1.55 -1.85 119.26 118.92 3i1o h ALA 154 Ca -0.03 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.81 3i1o h ALA 154 Cb 1.30 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.03 3i1o h ALA 154 CO 0.13 -0.39 -0.08 1.63 0.00 0.00 0.00 179.25 180.54 3i1o n LYS 155 N -4.47 1.09 -3.81 0.00 5.02 -1.02 -4.74 118.16 110.23 3i1o n LYS 155 Ca 0.15 -0.34 -0.21 0.00 -2.02 0.00 0.00 58.31 55.89 3i1o n LYS 155 Cb 0.57 -1.46 -0.04 0.00 -0.02 0.00 0.00 35.03 34.08 3i1o n LYS 155 CO 0.00 0.00 0.00 1.03 -0.52 0.00 0.00 177.40 177.91 3i1o s ARG 156 N 0.94 2.67 0.00 1.97 1.81 -0.70 -5.05 118.95 120.60 3i1o s ARG 156 Ca 0.23 -1.34 0.00 0.00 -1.72 0.00 0.00 55.73 52.89 3i1o s ARG 156 Cb 0.11 -2.44 0.00 0.00 -0.45 0.00 0.00 34.95 32.17 3i1o s ARG 156 CO 0.00 0.07 0.00 0.41 -0.68 0.00 0.00 175.30 175.10 3i1o n GLY 157 N -1.37 4.60 0.00 -3.53 0.00 -1.26 -5.14 105.19 98.49 3i1o n GLY 157 Ca -0.01 -0.92 0.00 0.00 0.00 0.00 0.00 46.02 45.09 3i1o n GLY 157 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60