#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i1m n LYS 13 N 0.00 0.00 -0.56 2.89 4.76 -1.26 -4.67 118.16 119.32 3i1m n LYS 13 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 3i1m n LYS 13 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 3i1m n LYS 13 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 3i1m n GLN 14 N 0.00 -1.56 0.00 1.97 -0.06 -1.22 -5.06 117.38 111.44 3i1m n GLN 14 Ca 0.00 1.13 0.00 0.00 -2.00 0.00 0.00 57.00 56.13 3i1m n GLN 14 Cb 0.00 -1.25 0.00 0.00 -4.06 0.00 0.00 30.24 24.93 3i1m n GLN 14 CO 0.00 0.00 0.00 1.55 -0.20 0.00 0.00 177.06 178.41 3i1m n VAL 15 N -0.26 0.00 0.00 1.69 3.14 -0.97 -5.03 118.33 116.90 3i1m n VAL 15 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 3i1m n VAL 15 Cb 0.00 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.78 3i1m n VAL 15 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 3i1m n SER 16 N -0.21 0.00 -4.23 6.55 3.41 -1.21 -4.83 113.62 113.11 3i1m n SER 16 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 3i1m n SER 16 Cb 0.00 0.00 -0.16 0.00 -0.26 0.00 0.00 64.21 63.79 3i1m n SER 16 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3i1m s ASP 17 N 0.00 2.64 0.00 4.04 1.47 -1.26 0.12 116.67 123.68 3i1m s ASP 17 Ca 0.00 -0.42 0.00 0.00 1.18 0.00 0.00 52.55 53.31 3i1m s ASP 17 Cb 0.00 -0.54 0.00 0.00 -0.34 0.00 0.00 42.92 42.04 3i1m s ASP 17 CO 0.00 0.23 0.00 0.61 0.68 0.00 0.00 175.17 176.69 3i1m n GLY 18 N 2.81 4.44 3.01 2.12 0.00 -1.06 -4.39 105.19 112.13 3i1m n GLY 18 Ca -0.17 -1.23 -0.15 0.00 0.00 0.00 0.00 46.02 44.47 3i1m n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i1m s VAL 19 N -1.66 0.52 -0.65 1.61 1.01 0.23 -0.35 120.40 121.11 3i1m s VAL 19 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 61.98 61.35 3i1m s VAL 19 Cb 0.00 -0.50 0.17 0.00 0.00 0.00 0.00 36.38 36.05 3i1m s VAL 19 CO 0.00 -0.07 0.48 0.00 0.00 0.00 0.00 175.10 175.51 3i1m s ALA 20 N -0.64 3.65 -0.26 5.51 0.00 0.26 -1.31 121.76 128.97 3i1m s ALA 20 Ca -0.02 -3.32 -0.29 0.00 0.00 0.00 0.00 51.96 48.33 3i1m s ALA 20 Cb -0.05 -2.72 0.01 0.00 0.00 0.00 0.00 23.12 20.36 3i1m s ALA 20 CO 0.00 -2.13 1.11 -1.01 0.00 0.00 0.00 175.76 173.74 3i1m s HIS 21 N -0.16 3.13 -0.15 0.00 3.76 -0.21 -1.85 115.29 119.81 3i1m s HIS 21 Ca 0.18 1.24 0.02 0.00 -0.15 0.00 0.00 55.06 56.34 3i1m s HIS 21 Cb -0.19 -3.52 0.02 0.00 1.11 0.00 0.00 32.58 29.99 3i1m s HIS 21 CO -0.04 -0.89 -0.20 0.96 -0.85 0.00 0.00 174.74 173.71 3i1m s ILE 22 N 3.53 1.98 -1.04 0.60 -4.36 -1.13 -0.54 121.20 120.24 3i1m s ILE 22 Ca 0.47 -0.91 -0.10 0.00 -0.26 0.00 0.00 60.65 59.85 3i1m s ILE 22 Cb -0.15 -1.77 0.26 0.00 1.25 0.00 0.00 42.46 42.05 3i1m s ILE 22 CO 0.12 0.53 1.02 -2.28 0.24 0.00 0.00 174.94 174.58 3i1m s HIS 23 N 1.07 4.14 -0.77 1.37 2.46 0.18 -1.14 115.29 122.60 3i1m s HIS 23 Ca -0.01 -2.51 -0.24 0.00 0.47 0.00 0.00 55.06 52.77 3i1m s HIS 23 Cb -0.14 -3.84 0.06 0.00 -0.13 0.00 0.00 32.58 28.53 3i1m s HIS 23 CO -0.07 -0.96 1.15 0.00 -2.47 0.00 0.00 174.74 172.39 3i1m s ALA 24 N -0.89 2.98 0.51 1.58 0.00 0.15 -2.07 121.76 124.03 3i1m s ALA 24 Ca 0.27 -1.87 0.00 0.00 0.00 0.00 0.00 51.96 50.36 3i1m s ALA 24 Cb -0.10 -4.10 0.00 0.00 0.00 0.00 0.00 23.12 18.92 3i1m s ALA 24 CO -0.08 -3.07 0.00 -1.13 0.00 0.00 0.00 175.76 171.47 3i1m n SER 25 N 8.24 0.00 0.03 0.00 3.41 0.46 -3.00 113.62 122.75 3i1m n SER 25 Ca 0.07 -0.94 -0.08 0.00 -0.26 0.00 0.00 58.87 57.65 3i1m n SER 25 Cb 0.48 0.00 -0.13 0.00 -0.26 0.00 0.00 64.21 64.30 3i1m n SER 25 CO 0.00 0.00 0.00 -0.26 -0.16 0.00 0.00 175.04 174.62 3i1m h PHE 26 N -0.48 0.04 0.00 7.33 -1.00 -1.94 -3.36 116.94 117.52 3i1m h PHE 26 Ca 0.00 -0.03 0.00 0.00 2.81 0.00 0.00 57.97 60.75 3i1m h PHE 26 Cb 0.00 -0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.56 3i1m h PHE 26 CO 0.00 1.03 -1.39 0.09 -1.61 0.00 0.00 178.31 176.43 3i1m n ASN 27 N -3.24 0.48 -3.12 2.17 4.13 -1.26 -4.83 115.26 109.59 3i1m n ASN 27 Ca -0.08 -0.24 -0.08 0.00 1.68 0.00 0.00 54.58 55.86 3i1m n ASN 27 Cb 0.99 1.26 0.01 0.00 -1.54 0.00 0.00 39.78 40.51 3i1m n ASN 27 CO 0.00 0.00 0.00 0.21 0.28 0.00 0.00 177.26 177.75 3i1m s ASN 28 N -4.10 -0.04 -0.25 6.41 3.84 -1.26 -4.36 114.94 115.18 3i1m s ASN 28 Ca -0.00 -1.04 -0.03 0.00 0.21 0.00 0.00 52.86 52.00 3i1m s ASN 28 Cb 0.14 0.83 0.11 0.00 -0.55 0.00 0.00 41.25 41.78 3i1m s ASN 28 CO 0.86 -1.62 0.26 -0.89 -2.79 0.00 0.00 177.10 172.91 3i1m s THR 29 N -2.64 -0.36 -0.14 -5.21 2.01 -1.25 -0.41 115.64 107.63 3i1m s THR 29 Ca 0.15 -0.29 -0.05 0.00 0.31 0.00 0.00 61.69 61.80 3i1m s THR 29 Cb -0.05 -0.83 -0.04 0.00 0.01 0.00 0.00 72.50 71.59 3i1m s THR 29 CO 0.11 -0.33 0.04 0.27 -0.69 0.00 0.00 174.62 174.01 3i1m s ILE 30 N 2.34 4.57 -0.20 1.82 -5.25 -0.88 -1.17 121.20 122.44 3i1m s ILE 30 Ca 0.08 -0.12 0.01 0.00 -0.99 0.00 0.00 60.65 59.63 3i1m s ILE 30 Cb -0.15 -3.01 0.02 0.00 2.95 0.00 0.00 42.46 42.28 3i1m s ILE 30 CO -0.22 0.52 -0.16 -0.69 -1.79 0.00 0.00 174.94 172.60 3i1m s VAL 31 N -0.12 2.25 -0.13 8.37 1.01 -0.46 0.50 120.40 131.82 3i1m s VAL 31 Ca 0.06 -1.02 -0.02 0.00 0.00 0.00 0.00 61.98 61.00 3i1m s VAL 31 Cb -0.12 -2.03 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 3i1m s VAL 31 CO 0.02 0.41 -0.06 -0.89 0.00 0.00 0.00 175.10 174.57 3i1m s THR 32 N 1.28 3.68 0.01 3.92 2.01 0.29 -1.62 115.64 125.22 3i1m s THR 32 Ca 0.02 -0.45 -0.19 0.00 0.31 0.00 0.00 61.69 61.38 3i1m s THR 32 Cb -0.15 -2.57 -0.06 0.00 0.01 0.00 0.00 72.50 69.74 3i1m s THR 32 CO -0.10 0.53 0.56 -0.63 -0.69 0.00 0.00 174.62 174.28 3i1m s ILE 33 N 0.05 4.89 0.12 1.82 -1.09 0.23 -1.04 121.20 126.18 3i1m s ILE 33 Ca -0.01 1.18 -0.05 0.00 -2.23 0.00 0.00 60.65 59.53 3i1m s ILE 33 Cb -0.14 -3.89 -0.02 0.00 -1.58 0.00 0.00 42.46 36.83 3i1m s ILE 33 CO 0.03 0.47 0.15 0.28 -1.23 0.00 0.00 174.94 174.65 3i1m s THR 34 N -0.51 0.11 0.67 2.92 -1.32 -0.43 0.12 115.64 117.20 3i1m s THR 34 Ca 0.29 -1.57 -0.09 0.00 -1.21 0.00 0.00 61.69 59.12 3i1m s THR 34 Cb -0.18 -1.77 0.02 0.00 -1.51 0.00 0.00 72.50 69.06 3i1m s THR 34 CO 0.17 -0.51 1.02 1.51 -2.21 0.00 0.00 174.62 174.60 3i1m s ASP 35 N -2.97 5.41 0.32 8.08 1.47 -1.26 0.78 116.67 128.50 3i1m s ASP 35 Ca 0.16 0.90 0.09 0.00 1.18 0.00 0.00 52.55 54.88 3i1m s ASP 35 Cb 0.05 -1.75 0.92 0.00 -0.34 0.00 0.00 42.92 41.81 3i1m s ASP 35 CO -0.03 -1.28 1.67 0.03 0.68 0.00 0.00 175.17 176.24 3i1m h ARG 36 N -0.48 0.33 0.00 2.11 3.08 -1.86 0.61 114.38 118.16 3i1m h ARG 36 Ca -0.45 -0.02 0.00 0.00 0.07 0.00 0.00 59.98 59.58 3i1m h ARG 36 Cb 1.26 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.24 3i1m h ARG 36 CO 0.62 0.22 0.00 1.96 -1.07 0.00 0.00 179.97 181.70 3i1m h GLN 37 N 0.34 0.00 -2.67 0.04 1.08 -1.97 -3.48 115.11 108.45 3i1m h GLN 37 Ca 0.65 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.85 3i1m h GLN 37 Cb 1.39 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.82 3i1m h GLN 37 CO -0.59 0.00 0.00 0.41 -0.95 0.00 0.00 178.83 177.70 3i1m n GLY 38 N 0.36 -2.58 0.00 3.46 0.00 0.21 -5.07 105.19 101.57 3i1m n GLY 38 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.62 3i1m n GLY 38 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 3i1m n ASN 39 N 0.00 0.00 -0.35 1.61 3.02 -1.26 -4.92 115.26 113.36 3i1m n ASN 39 Ca 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 54.58 54.55 3i1m n ASN 39 Cb 0.00 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.17 3i1m n ASN 39 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3i1m n ALA 40 N -0.16 -1.25 -0.07 5.41 0.00 -1.26 -4.97 120.51 118.22 3i1m n ALA 40 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.35 3i1m n ALA 40 Cb 0.00 -0.06 -0.07 0.00 0.00 0.00 0.00 19.45 19.32 3i1m n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i1m n LEU 41 N 0.00 2.16 -3.74 0.00 4.77 0.32 -4.90 117.00 115.61 3i1m n LEU 41 Ca 0.00 -0.05 -0.09 0.00 -0.03 0.00 0.00 56.01 55.84 3i1m n LEU 41 Cb 0.00 -0.28 -0.02 0.00 -2.33 0.00 0.00 43.42 40.79 3i1m n LEU 41 CO 0.00 0.61 0.43 -0.83 -1.33 0.00 0.00 177.39 176.27 3i1m s GLY 42 N -5.08 -0.22 0.13 -0.72 0.00 -0.94 -4.89 107.32 95.60 3i1m s GLY 42 Ca -0.15 -0.10 -0.24 0.00 0.00 0.00 0.00 44.72 44.23 3i1m s GLY 42 CO 0.36 -0.04 0.63 0.66 0.00 0.00 0.00 173.10 174.70 3i1m s TRP 43 N -3.87 -0.54 -0.22 1.90 1.48 -1.26 0.78 118.94 117.21 3i1m s TRP 43 Ca 0.08 0.39 -0.27 0.00 -1.06 0.00 0.00 56.10 55.25 3i1m s TRP 43 Cb -0.04 0.55 0.10 0.00 -1.16 0.00 0.00 33.47 32.91 3i1m s TRP 43 CO 0.01 -0.81 0.86 0.00 -4.06 0.00 0.00 176.95 172.95 3i1m s ALA 44 N -3.48 -1.86 0.17 2.67 0.00 -0.64 -4.80 121.76 113.82 3i1m s ALA 44 Ca 0.00 1.80 0.11 0.00 0.00 0.00 0.00 51.96 53.87 3i1m s ALA 44 Cb -0.01 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 22.06 3i1m s ALA 44 CO -0.11 -0.31 -0.23 0.95 0.00 0.00 0.00 175.76 176.07 3i1m s THR 45 N -0.14 2.46 0.06 0.00 -4.23 -1.26 -1.36 115.64 111.18 3i1m s THR 45 Ca -0.01 -1.88 -0.25 0.00 -1.18 0.00 0.00 61.69 58.37 3i1m s THR 45 Cb -0.04 -2.16 -0.12 0.00 1.34 0.00 0.00 72.50 71.53 3i1m s THR 45 CO 0.00 -0.05 1.39 0.00 -0.54 0.00 0.00 174.62 175.43 3i1m h ALA 46 N 3.38 -0.99 -0.97 3.99 0.00 -1.42 -1.14 119.26 122.11 3i1m h ALA 46 Ca -0.48 -0.12 0.20 0.00 0.00 0.00 0.00 54.91 54.52 3i1m h ALA 46 Cb 1.19 0.65 -0.09 0.00 0.00 0.00 0.00 17.79 19.55 3i1m h ALA 46 CO 0.46 -1.03 0.62 0.78 0.00 0.00 0.00 179.25 180.08 3i1m h GLY 47 N -0.66 1.36 1.92 0.00 0.00 -1.84 0.11 103.07 103.94 3i1m h GLY 47 Ca -0.03 -0.28 -0.05 0.00 0.00 0.00 0.00 47.33 46.97 3i1m h GLY 47 CO -0.10 -0.04 -0.21 -1.33 0.00 0.00 0.00 176.54 174.86 3i1m h GLY 48 N 0.59 0.11 -3.22 4.60 0.00 -1.61 -3.05 103.07 100.47 3i1m h GLY 48 Ca 0.54 -0.07 -0.14 0.00 0.00 0.00 0.00 47.33 47.65 3i1m h GLY 48 CO -0.29 0.07 0.17 1.44 0.00 0.00 0.00 176.54 177.93 3i1m n SER 49 N -4.24 5.83 0.00 0.19 7.64 0.02 -4.94 113.62 118.12 3i1m n SER 49 Ca -0.02 -2.69 0.00 0.00 1.01 0.00 0.00 58.87 57.17 3i1m n SER 49 Cb 0.30 -1.10 0.00 0.00 -1.01 0.00 0.00 64.21 62.39 3i1m n SER 49 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3i1m n GLY 50 N 1.02 0.92 0.00 0.23 0.00 -1.15 -4.98 105.19 101.23 3i1m n GLY 50 Ca 0.13 -1.20 0.00 0.00 0.00 0.00 0.00 46.02 44.96 3i1m n GLY 50 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 173.32 175.29 3i1m n PHE 51 N 0.00 0.00 -4.09 1.61 -0.00 -1.26 -4.77 117.46 108.95 3i1m n PHE 51 Ca 0.00 0.00 -0.10 0.00 -0.00 0.00 0.00 57.45 57.35 3i1m n PHE 51 Cb 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 39.48 39.37 3i1m n PHE 51 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3i1m s ARG 52 N 0.00 0.60 1.55 3.97 1.81 -1.26 -4.19 118.95 121.43 3i1m s ARG 52 Ca 0.00 -1.00 0.00 0.00 -1.72 0.00 0.00 55.73 53.01 3i1m s ARG 52 Cb 0.00 -0.10 0.00 0.00 -0.45 0.00 0.00 34.95 34.40 3i1m s ARG 52 CO 0.00 -0.02 0.00 0.41 -0.68 0.00 0.00 175.30 175.01 3i1m n GLY 53 N 0.77 -0.85 0.04 -3.53 0.00 -1.26 -3.87 105.19 96.50 3i1m n GLY 53 Ca -0.18 -1.48 0.02 0.00 0.00 0.00 0.00 46.02 44.38 3i1m n GLY 53 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3i1m n SER 54 N 0.35 0.10 -0.04 1.61 3.41 -1.26 -0.32 113.62 117.46 3i1m n SER 54 Ca 0.00 0.40 -0.14 0.00 -0.26 0.00 0.00 58.87 58.87 3i1m n SER 54 Cb 0.00 -0.40 -0.12 0.00 -0.26 0.00 0.00 64.21 63.44 3i1m n SER 54 CO 0.00 0.00 0.00 0.03 -0.16 0.00 0.00 175.04 174.91 3i1m h ARG 55 N 0.00 0.07 0.00 4.33 2.47 -1.93 -3.31 114.38 116.00 3i1m h ARG 55 Ca 0.00 -0.07 0.00 0.00 -1.26 0.00 0.00 59.98 58.65 3i1m h ARG 55 Cb 0.36 0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.70 3i1m h ARG 55 CO 0.00 0.84 0.00 1.57 0.56 0.00 0.00 179.97 182.94 3i1m h LYS 56 N -0.68 0.00 -0.59 0.04 2.10 -0.84 -2.96 116.57 113.64 3i1m h LYS 56 Ca -0.01 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.64 3i1m h LYS 56 Cb 0.88 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.21 3i1m h LYS 56 CO 0.02 0.00 0.00 0.43 -2.00 0.00 0.00 179.45 177.90 3i1m n SER 57 N -2.30 1.49 -4.91 7.07 7.64 -1.01 -4.68 113.62 116.92 3i1m n SER 57 Ca 0.04 -2.11 -0.32 0.00 1.01 0.00 0.00 58.87 57.49 3i1m n SER 57 Cb 0.34 -0.35 -0.04 0.00 -1.01 0.00 0.00 64.21 63.14 3i1m n SER 57 CO 0.00 0.00 0.00 0.42 -3.01 0.00 0.00 175.04 172.45 3i1m s THR 58 N -1.55 5.37 0.42 0.44 -4.23 -1.12 -4.70 115.64 110.27 3i1m s THR 58 Ca 0.11 -0.24 0.10 0.00 -1.18 0.00 0.00 61.69 60.48 3i1m s THR 58 Cb 0.07 -3.60 0.29 0.00 1.34 0.00 0.00 72.50 70.60 3i1m s THR 58 CO 0.05 0.19 2.03 1.55 -0.54 0.00 0.00 174.62 177.90 3i1m h PRO 59 N 3.29 0.46 -0.45 3.99 0.13 -1.89 -1.65 132.00 135.87 3i1m h PRO 59 Ca -0.46 -0.03 0.03 0.00 -0.87 0.00 0.00 66.00 64.67 3i1m h PRO 59 Cb 1.17 -0.10 -0.03 0.00 0.13 0.00 0.00 31.00 32.16 3i1m h PRO 59 CO 0.73 0.30 0.25 0.35 -0.23 0.00 0.00 178.00 179.41 3i1m h PHE 60 N 0.47 0.47 -0.27 1.56 3.57 -1.94 -0.57 116.94 120.23 3i1m h PHE 60 Ca 0.19 0.02 0.02 0.00 3.53 0.00 0.00 57.97 61.73 3i1m h PHE 60 Cb 0.18 -0.15 -0.03 0.00 2.79 0.00 0.00 35.95 38.75 3i1m h PHE 60 CO -0.00 0.26 0.11 0.00 -2.23 0.00 0.00 178.31 176.45 3i1m h ALA 61 N 1.22 0.31 -0.24 2.41 0.00 -1.56 -1.35 119.26 120.05 3i1m h ALA 61 Ca 0.19 0.02 0.06 0.00 0.00 0.00 0.00 54.91 55.18 3i1m h ALA 61 Cb 0.05 -0.02 -0.07 0.00 0.00 0.00 0.00 17.79 17.76 3i1m h ALA 61 CO -0.11 -0.29 -0.19 0.00 0.00 0.00 0.00 179.25 178.66 3i1m h ALA 62 N 1.15 -0.04 -0.62 0.00 0.00 -1.22 -1.28 119.26 117.24 3i1m h ALA 62 Ca 0.11 0.09 0.00 0.00 0.00 0.00 0.00 54.91 55.11 3i1m h ALA 62 Cb 0.06 0.42 0.00 0.00 0.00 0.00 0.00 17.79 18.27 3i1m h ALA 62 CO -0.10 -0.61 0.00 0.94 0.00 0.00 0.00 179.25 179.48 3i1m n GLN 63 N -5.35 0.00 -0.34 0.00 7.27 -0.26 -0.43 117.38 118.28 3i1m n GLN 63 Ca -0.01 0.83 0.14 0.00 0.07 0.00 0.00 57.00 58.03 3i1m n GLN 63 Cb 0.26 -1.30 0.33 0.00 2.41 0.00 0.00 30.24 31.95 3i1m n GLN 63 CO 0.00 0.00 0.00 -0.24 0.07 0.00 0.00 177.06 176.89 3i1m h VAL 64 N 0.00 0.64 0.06 1.69 3.04 -1.30 0.20 116.25 120.59 3i1m h VAL 64 Ca 0.00 -0.23 0.02 0.00 -1.01 0.00 0.00 66.70 65.48 3i1m h VAL 64 Cb 0.00 -0.10 -0.05 0.00 -2.01 0.00 0.00 31.29 29.13 3i1m h VAL 64 CO 0.00 0.12 -0.46 0.00 -1.01 0.00 0.00 177.57 176.22 3i1m h ALA 65 N 1.67 -0.80 -1.01 3.17 0.00 0.34 0.22 119.26 122.85 3i1m h ALA 65 Ca 0.59 -0.07 0.24 0.00 0.00 0.00 0.00 54.91 55.66 3i1m h ALA 65 Cb 0.99 0.80 -0.10 0.00 0.00 0.00 0.00 17.79 19.48 3i1m h ALA 65 CO -0.42 -1.03 0.63 0.00 0.00 0.00 0.00 179.25 178.44 3i1m h ALA 66 N -0.24 2.03 -0.08 0.00 0.00 0.12 0.45 119.26 121.54 3i1m h ALA 66 Ca 0.02 0.07 -0.00 0.00 0.00 0.00 0.00 54.91 55.00 3i1m h ALA 66 Cb 0.70 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 18.48 3i1m h ALA 66 CO -0.30 -0.42 0.03 0.93 0.00 0.00 0.00 179.25 179.49 3i1m h GLU 67 N 0.51 0.11 0.00 0.00 5.08 0.58 0.26 114.58 121.13 3i1m h GLU 67 Ca 0.58 -0.02 -0.04 0.00 -1.00 0.00 0.00 59.36 58.87 3i1m h GLU 67 Cb 1.27 -0.02 -0.01 0.00 0.50 0.00 0.00 28.75 30.50 3i1m h GLU 67 CO -0.32 0.24 -0.21 0.00 -1.00 0.00 0.00 179.01 177.71 3i1m h ARG 68 N -0.03 0.00 0.00 2.33 3.08 0.78 -1.59 114.38 118.94 3i1m h ARG 68 Ca 0.03 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.90 3i1m h ARG 68 Cb 0.17 0.00 -0.03 0.00 0.08 0.00 0.00 29.97 30.19 3i1m h ARG 68 CO -0.00 0.21 -0.92 0.00 -1.07 0.00 0.00 179.97 178.19 3i1m h ALA 70 N 1.21 0.96 -2.35 0.00 0.00 0.20 -3.37 119.26 115.91 3i1m h ALA 70 Ca -0.04 -0.42 -0.51 0.00 0.00 0.00 0.00 54.91 53.94 3i1m h ALA 70 Cb 1.64 -0.11 0.06 0.00 0.00 0.00 0.00 17.79 19.38 3i1m h ALA 70 CO 0.10 0.62 0.40 0.34 0.00 0.00 0.00 179.25 180.70 3i1m s ASP 71 N -6.85 6.25 -0.53 0.00 -1.08 -0.66 -3.13 116.67 110.66 3i1m s ASP 71 Ca -0.06 1.39 0.00 0.00 -0.52 0.00 0.00 52.55 53.35 3i1m s ASP 71 Cb 0.13 -2.45 0.00 0.00 -1.46 0.00 0.00 42.92 39.13 3i1m s ASP 71 CO 0.80 -0.84 0.00 0.00 0.52 0.00 0.00 175.17 175.66 3i1m n ALA 72 N -2.67 -0.08 -0.10 3.66 0.00 -1.26 -4.63 120.51 115.43 3i1m n ALA 72 Ca 0.06 0.08 0.00 0.00 0.00 0.00 0.00 53.44 53.58 3i1m n ALA 72 Cb 0.54 -1.13 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i1m n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i1m n VAL 73 N -2.48 0.00 1.52 0.00 0.24 -1.26 -4.78 118.33 111.57 3i1m n VAL 73 Ca -0.05 0.00 0.11 0.00 -2.04 0.00 0.00 64.34 62.36 3i1m n VAL 73 Cb 0.35 0.17 0.66 0.00 -1.47 0.00 0.00 33.84 33.55 3i1m n VAL 73 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i1m n LYS 74 N 0.00 0.76 -0.25 7.34 4.81 -1.18 -2.70 118.16 126.93 3i1m n LYS 74 Ca 0.00 0.00 0.01 0.00 -0.87 0.00 0.00 58.31 57.45 3i1m n LYS 74 Cb 0.00 -1.46 0.23 0.00 0.02 0.00 0.00 35.03 33.82 3i1m n LYS 74 CO 0.00 0.00 0.00 0.93 1.17 0.00 0.00 177.40 179.50 3i1m h GLU 75 N 0.00 1.04 0.00 1.64 4.39 -1.89 0.24 114.58 120.00 3i1m h GLU 75 Ca 0.00 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.64 3i1m h GLU 75 Cb 0.00 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.42 3i1m h GLU 75 CO 0.00 0.69 0.00 0.66 -1.16 0.00 0.00 179.01 179.20 3i1m n TYR 76 N -4.43 0.00 -3.26 4.33 4.02 -1.10 -4.60 117.16 112.13 3i1m n TYR 76 Ca 0.10 0.00 -0.14 0.00 -0.01 0.00 0.00 57.90 57.84 3i1m n TYR 76 Cb 0.06 0.00 0.06 0.00 -0.02 0.00 0.00 39.34 39.44 3i1m n TYR 76 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 176.86 176.26 3i1m n GLY 77 N 0.21 -1.17 3.93 2.72 0.00 0.85 -2.28 105.19 109.45 3i1m n GLY 77 Ca 0.14 0.57 -0.26 0.00 0.00 0.00 0.00 46.02 46.47 3i1m n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i1m s ILE 78 N -3.35 5.19 0.11 -0.61 -4.36 -1.26 -3.34 121.20 113.59 3i1m s ILE 78 Ca 0.40 -0.45 0.00 0.00 -0.26 0.00 0.00 60.65 60.35 3i1m s ILE 78 Cb -0.06 -3.77 0.00 0.00 1.25 0.00 0.00 42.46 39.88 3i1m s ILE 78 CO 0.75 -0.27 0.00 0.29 0.24 0.00 0.00 174.94 175.95 3i1m n LYS 79 N -0.97 0.00 -4.03 0.37 4.01 0.31 -4.93 118.16 112.93 3i1m n LYS 79 Ca -0.05 0.00 -0.34 0.00 -0.51 0.00 0.00 58.31 57.41 3i1m n LYS 79 Cb 0.55 -0.22 -0.15 0.00 -0.51 0.00 0.00 35.03 34.69 3i1m n LYS 79 CO 0.00 0.00 0.00 0.54 -1.11 0.00 0.00 177.40 176.83 3i1m s ASN 80 N -5.23 4.05 0.03 4.39 2.20 -0.84 -0.04 114.94 119.49 3i1m s ASN 80 Ca 0.00 -0.93 0.06 0.00 -0.94 0.00 0.00 52.86 51.05 3i1m s ASN 80 Cb 0.00 -1.59 -0.02 0.00 -2.00 0.00 0.00 41.25 37.64 3i1m s ASN 80 CO 0.00 -0.11 -0.18 -1.48 -2.94 0.00 0.00 177.10 172.39 3i1m s LEU 81 N 1.26 2.14 0.61 3.54 2.34 -1.25 -2.55 118.68 124.76 3i1m s LEU 81 Ca -0.01 -0.45 -0.06 0.00 0.06 0.00 0.00 54.13 53.67 3i1m s LEU 81 Cb -0.16 -0.84 0.02 0.00 -0.56 0.00 0.00 46.19 44.64 3i1m s LEU 81 CO -0.07 0.14 0.92 -1.83 -1.06 0.00 0.00 176.35 174.45 3i1m s GLU 82 N -0.97 2.80 0.09 1.48 1.03 0.53 -1.89 118.70 121.75 3i1m s GLU 82 Ca 0.06 -0.05 0.09 0.00 0.03 0.00 0.00 54.97 55.10 3i1m s GLU 82 Cb -0.08 -2.26 -0.03 0.00 -0.80 0.00 0.00 34.13 30.96 3i1m s GLU 82 CO 0.01 -0.79 -0.24 0.08 -1.33 0.00 0.00 175.26 172.99 3i1m s VAL 83 N -3.03 1.96 -0.33 1.83 1.01 0.38 0.90 120.40 123.12 3i1m s VAL 83 Ca 0.55 -1.50 -0.01 0.00 0.00 0.00 0.00 61.98 61.02 3i1m s VAL 83 Cb -0.11 -1.73 0.13 0.00 0.00 0.00 0.00 36.38 34.67 3i1m s VAL 83 CO 0.45 0.14 0.20 -0.04 0.00 0.00 0.00 175.10 175.84 3i1m s MET 84 N -1.65 0.41 -0.16 2.72 -1.94 -0.77 -2.33 119.30 115.58 3i1m s MET 84 Ca 0.10 -0.96 -0.26 0.00 -1.71 0.00 0.00 55.69 52.87 3i1m s MET 84 Cb -0.10 -1.18 -0.01 0.00 2.01 0.00 0.00 34.83 35.55 3i1m s MET 84 CO 0.04 -1.13 0.86 0.08 -0.01 0.00 0.00 175.02 174.85 3i1m s VAL 85 N 1.52 4.86 -0.12 -6.03 1.01 -0.81 -2.83 120.40 118.01 3i1m s VAL 85 Ca 0.14 1.69 0.01 0.00 0.00 0.00 0.00 61.98 63.83 3i1m s VAL 85 Cb -0.20 -4.16 -0.01 0.00 0.00 0.00 0.00 36.38 32.01 3i1m s VAL 85 CO -0.14 0.02 -0.17 -0.75 0.00 0.00 0.00 175.10 174.05 3i1m s LYS 86 N 2.15 3.25 0.00 2.72 2.20 -0.29 -1.90 119.74 127.86 3i1m s LYS 86 Ca 0.40 -0.76 0.00 0.00 -0.36 0.00 0.00 55.97 55.24 3i1m s LYS 86 Cb -0.17 -2.50 0.00 0.00 -1.51 0.00 0.00 37.83 33.65 3i1m s LYS 86 CO 0.13 0.19 0.00 0.41 -0.36 0.00 0.00 175.35 175.72 3i1m n GLY 87 N 3.55 -0.19 0.00 5.54 0.00 -1.26 -0.68 105.19 112.16 3i1m n GLY 87 Ca -0.19 -1.69 0.00 0.00 0.00 0.00 0.00 46.02 44.15 3i1m n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i1m n PRO 88 N -0.03 1.96 -0.70 1.61 -0.04 -1.16 -4.71 135.00 131.93 3i1m n PRO 88 Ca 0.00 0.00 0.09 0.00 -0.04 0.00 0.00 63.50 63.55 3i1m n PRO 88 Cb 0.00 0.00 -0.04 0.00 -0.04 0.00 0.00 33.50 33.42 3i1m n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i1m n GLY 89 N 5.00 -2.39 3.59 0.55 0.00 -1.26 -4.10 105.19 106.58 3i1m n GLY 89 Ca 0.00 -1.30 -0.29 0.00 0.00 0.00 0.00 46.02 44.43 3i1m n GLY 89 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3i1m s PRO 90 N -2.75 -0.10 0.00 1.61 0.04 -1.26 -3.32 135.00 129.22 3i1m s PRO 90 Ca 0.00 0.83 0.00 0.00 0.04 0.00 0.00 61.00 61.87 3i1m s PRO 90 Cb 0.00 -1.65 0.00 0.00 0.04 0.00 0.00 34.50 32.89 3i1m s PRO 90 CO 0.00 -3.17 0.00 0.41 0.04 0.00 0.00 177.00 174.28 3i1m n GLY 91 N -0.01 0.15 0.13 0.56 0.00 -1.26 -4.73 105.19 100.03 3i1m n GLY 91 Ca 0.05 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.19 3i1m n GLY 91 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 173.32 173.23 3i1m h ARG 92 N 0.34 0.00 0.00 1.61 2.43 -1.86 -3.20 114.38 113.70 3i1m h ARG 92 Ca 0.00 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3i1m h ARG 92 Cb 0.63 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.18 3i1m h ARG 92 CO 0.00 0.00 -0.58 -1.91 -1.51 0.00 0.00 179.97 175.97 3i1m n GLU 93 N -2.48 0.00 0.21 0.20 2.13 -1.26 -4.68 120.64 114.75 3i1m n GLU 93 Ca 0.04 0.00 0.13 0.00 0.66 0.00 0.00 57.16 57.99 3i1m n GLU 93 Cb 0.47 -0.75 0.67 0.00 0.27 0.00 0.00 31.44 32.10 3i1m n GLU 93 CO 0.00 0.00 0.00 1.03 -0.41 0.00 0.00 177.13 177.75 3i1m h SER 94 N 0.00 0.00 0.20 4.31 0.87 -1.88 -3.05 113.55 114.00 3i1m h SER 94 Ca 0.00 0.00 -0.31 0.00 -1.23 0.00 0.00 61.79 60.25 3i1m h SER 94 Cb 0.58 0.00 0.02 0.00 -0.44 0.00 0.00 62.40 62.56 3i1m h SER 94 CO 0.00 0.00 -1.44 0.00 -0.53 0.00 0.00 176.83 174.86 3i1m h THR 95 N 0.00 1.18 -0.07 2.23 1.03 -1.83 -3.21 112.91 112.24 3i1m h THR 95 Ca 0.00 -2.57 -0.11 0.00 -0.01 0.00 0.00 66.41 63.71 3i1m h THR 95 Cb 0.15 2.94 -0.01 0.00 -1.07 0.00 0.00 68.15 70.16 3i1m h THR 95 CO 0.00 0.79 -0.47 0.16 -0.01 0.00 0.00 175.52 175.99 3i1m h ILE 96 N -0.02 1.34 0.00 0.00 3.07 -1.83 -3.10 117.51 116.97 3i1m h ILE 96 Ca -0.27 -1.66 0.00 0.00 1.55 0.00 0.00 64.86 64.47 3i1m h ILE 96 Cb 2.00 1.81 0.00 0.00 -0.27 0.00 0.00 36.82 40.36 3i1m h ILE 96 CO 0.20 0.49 0.00 0.54 -1.05 0.00 0.00 178.15 178.33 3i1m n ARG 97 N -3.97 0.00 -0.28 0.16 5.12 -1.21 0.68 116.66 117.15 3i1m n ARG 97 Ca -0.02 0.96 0.02 0.00 -1.93 0.00 0.00 57.85 56.89 3i1m n ARG 97 Cb 0.52 -1.45 0.13 0.00 -1.16 0.00 0.00 32.46 30.50 3i1m n ARG 97 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 3i1m n ALA 98 N -2.94 2.94 -0.07 7.54 0.00 -1.25 -2.39 120.51 124.35 3i1m n ALA 98 Ca 0.00 -0.60 -0.14 0.00 0.00 0.00 0.00 53.44 52.69 3i1m n ALA 98 Cb 0.00 -1.04 -0.05 0.00 0.00 0.00 0.00 19.45 18.36 3i1m n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 3i1m n LEU 99 N 0.20 1.37 0.26 0.00 7.94 0.11 -4.43 117.00 122.45 3i1m n LEU 99 Ca 0.09 0.23 -0.17 0.00 -1.11 0.00 0.00 56.01 55.05 3i1m n LEU 99 Cb 0.55 -0.54 -0.09 0.00 0.53 0.00 0.00 43.42 43.87 3i1m n LEU 99 CO 0.10 0.08 0.56 -1.13 -1.11 0.00 0.00 177.39 175.90 3i1m h ASN 100 N -0.63 -1.27 -0.62 1.96 -0.73 0.17 -3.25 115.58 111.21 3i1m h ASN 100 Ca -0.29 0.11 -0.72 0.00 1.87 0.00 0.00 56.30 57.27 3i1m h ASN 100 Cb 1.13 0.43 -0.08 0.00 0.27 0.00 0.00 38.32 40.06 3i1m h ASN 100 CO -0.18 -0.61 2.59 0.00 -0.37 0.00 0.00 177.43 178.87 3i1m n ALA 101 N -2.78 5.00 -0.73 1.57 0.00 -1.00 -3.12 120.51 119.45 3i1m n ALA 101 Ca -0.11 -3.99 0.00 0.00 0.00 0.00 0.00 53.44 49.34 3i1m n ALA 101 Cb 0.43 -3.40 0.00 0.00 0.00 0.00 0.00 19.45 16.48 3i1m n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i1m n ALA 102 N 6.03 0.00 0.00 0.00 0.00 -1.22 -4.61 120.51 120.70 3i1m n ALA 102 Ca 0.48 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.92 3i1m n ALA 102 Cb 0.40 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.85 3i1m n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i1m n GLY 103 N 0.00 0.52 3.21 0.00 0.00 -1.24 -5.07 105.19 102.61 3i1m n GLY 103 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 46.02 45.79 3i1m n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i1m s PHE 104 N -0.52 1.58 -0.97 1.61 0.08 -1.18 -4.79 117.98 113.80 3i1m s PHE 104 Ca 0.00 -0.37 -0.01 0.00 0.12 0.00 0.00 56.93 56.67 3i1m s PHE 104 Cb 0.00 -0.93 0.31 0.00 -0.57 0.00 0.00 43.02 41.83 3i1m s PHE 104 CO 0.00 0.08 1.48 -2.13 -0.10 0.00 0.00 175.22 174.55 3i1m n ARG 105 N 1.79 4.50 -1.57 0.44 0.63 0.94 -4.67 116.66 118.72 3i1m n ARG 105 Ca -0.18 -4.64 -0.58 0.00 -0.92 0.00 0.00 57.85 51.53 3i1m n ARG 105 Cb 0.54 -2.44 -0.08 0.00 0.45 0.00 0.00 32.46 30.93 3i1m n ARG 105 CO 0.00 0.00 0.00 1.51 -2.51 0.00 0.00 177.63 176.63 3i1m n ILE 106 N 0.62 0.02 0.00 5.15 0.00 -1.26 -3.94 119.36 119.94 3i1m n ILE 106 Ca 0.34 -0.00 0.00 0.00 0.00 0.00 0.00 62.75 63.09 3i1m n ILE 106 Cb 0.32 -0.37 0.00 0.00 0.00 0.00 0.00 39.64 39.59 3i1m n ILE 106 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 176.55 176.96 3i1m n THR 107 N 2.27 0.00 -4.32 9.51 -1.04 -0.80 -4.88 114.28 115.03 3i1m n THR 107 Ca 0.21 0.35 -0.18 0.00 -2.04 0.00 0.00 64.05 62.39 3i1m n THR 107 Cb 0.10 -1.16 -0.14 0.00 -1.82 0.00 0.00 70.33 67.31 3i1m n THR 107 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3i1m s ASN 108 N -2.67 1.18 0.16 8.00 0.02 -1.26 -5.01 114.94 115.36 3i1m s ASN 108 Ca 0.00 -0.29 0.05 0.00 -1.02 0.00 0.00 52.86 51.60 3i1m s ASN 108 Cb 0.00 -0.09 -0.04 0.00 0.02 0.00 0.00 41.25 41.14 3i1m s ASN 108 CO 0.00 0.05 0.12 -0.63 0.02 0.00 0.00 177.10 176.66 3i1m s ILE 109 N -0.53 4.43 0.04 0.60 1.01 -1.26 -0.47 121.20 125.02 3i1m s ILE 109 Ca 0.01 -1.09 -0.17 0.00 0.00 0.00 0.00 60.65 59.40 3i1m s ILE 109 Cb -0.05 -3.25 0.03 0.00 0.01 0.00 0.00 42.46 39.20 3i1m s ILE 109 CO 0.00 -0.09 0.40 0.42 0.00 0.00 0.00 174.94 175.66 3i1m s THR 110 N -1.72 0.06 -0.19 2.92 -4.23 -0.99 -4.93 115.64 106.56 3i1m s THR 110 Ca 0.31 -0.49 -0.05 0.00 -1.18 0.00 0.00 61.69 60.28 3i1m s THR 110 Cb -0.10 -0.94 -0.02 0.00 1.34 0.00 0.00 72.50 72.78 3i1m s THR 110 CO 0.23 -0.27 -0.01 -0.62 -0.54 0.00 0.00 174.62 173.41 3i1m s ASP 111 N -1.97 4.83 -0.18 3.99 -1.08 -1.26 -1.92 116.67 119.07 3i1m s ASP 111 Ca -0.06 -0.18 0.15 0.00 -0.52 0.00 0.00 52.55 51.94 3i1m s ASP 111 Cb -0.01 -1.82 0.44 0.00 -1.46 0.00 0.00 42.92 40.07 3i1m s ASP 111 CO -0.02 0.09 1.19 1.33 0.52 0.00 0.00 175.17 178.28 3i1m n VAL 112 N 4.09 1.67 -2.18 1.11 0.24 -0.80 -4.95 118.33 117.51 3i1m n VAL 112 Ca -0.17 -2.90 -0.42 0.00 -2.04 0.00 0.00 64.34 58.81 3i1m n VAL 112 Cb 0.52 0.02 -0.03 0.00 -1.47 0.00 0.00 33.84 32.88 3i1m n VAL 112 CO 0.00 0.00 0.00 0.42 -2.14 0.00 0.00 176.83 175.11 3i1m s THR 113 N -2.83 3.60 0.33 3.34 -4.23 -1.24 -4.82 115.64 109.79 3i1m s THR 113 Ca 0.39 1.00 -0.29 0.00 -1.18 0.00 0.00 61.69 61.61 3i1m s THR 113 Cb 0.38 -3.65 -0.10 0.00 1.34 0.00 0.00 72.50 70.47 3i1m s THR 113 CO -0.07 0.00 1.36 -2.84 -0.54 0.00 0.00 174.62 172.53 3i1m s PRO 114 N 2.37 4.30 -0.34 3.99 0.02 -1.26 -4.96 135.00 139.12 3i1m s PRO 114 Ca 0.65 2.29 -0.01 0.00 0.02 0.00 0.00 61.00 63.96 3i1m s PRO 114 Cb -0.33 -3.06 0.12 0.00 0.02 0.00 0.00 34.50 31.26 3i1m s PRO 114 CO 0.27 -0.28 0.17 0.42 -0.33 0.00 0.00 177.00 177.26 3i1m s ILE 115 N -0.99 0.36 0.30 2.83 -1.09 -1.26 -5.09 121.20 116.26 3i1m s ILE 115 Ca 0.51 -1.50 -0.29 0.00 -2.23 0.00 0.00 60.65 57.13 3i1m s ILE 115 Cb -0.41 -1.28 -0.11 0.00 -1.58 0.00 0.00 42.46 39.08 3i1m s ILE 115 CO 0.54 -0.86 1.48 -2.16 -1.23 0.00 0.00 174.94 172.71 3i1m s PRO 116 N 1.35 4.20 -0.31 2.79 0.04 -1.26 -4.85 135.00 136.97 3i1m s PRO 116 Ca 0.14 2.43 -0.06 0.00 0.04 0.00 0.00 61.00 63.56 3i1m s PRO 116 Cb -0.20 -3.05 -0.19 0.00 0.04 0.00 0.00 34.50 31.10 3i1m s PRO 116 CO -0.14 -0.48 2.95 0.72 0.04 0.00 0.00 177.00 180.08 3i1m n HIS 117 N 1.74 0.45 -3.08 0.56 8.25 -1.26 -4.64 115.22 117.24 3i1m n HIS 117 Ca 0.05 -1.54 -0.15 0.00 -0.26 0.00 0.00 57.72 55.82 3i1m n HIS 117 Cb 0.39 -1.55 0.02 0.00 1.12 0.00 0.00 29.99 29.96 3i1m n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i1m n ASN 118 N 2.88 -7.21 0.00 0.41 5.03 -1.26 -5.06 115.26 110.05 3i1m n ASN 118 Ca 0.42 0.23 0.00 0.00 0.87 0.00 0.00 54.58 56.10 3i1m n ASN 118 Cb 0.62 -4.32 0.00 0.00 -1.02 0.00 0.00 39.78 35.06 3i1m n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i1m n GLY 119 N -0.51 -0.46 3.92 7.41 0.00 -1.26 -5.07 105.19 109.22 3i1m n GLY 119 Ca 0.04 0.00 -0.27 0.00 0.00 0.00 0.00 46.02 45.79 3i1m n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i1m s ARG 121 N -4.42 3.75 0.68 0.00 3.52 -1.26 -5.05 118.95 116.17 3i1m s ARG 121 Ca 0.45 0.28 -0.17 0.00 -0.13 0.00 0.00 55.73 56.16 3i1m s ARG 121 Cb -0.10 -3.80 0.01 0.00 -1.56 0.00 0.00 34.95 29.50 3i1m s ARG 121 CO 0.40 -0.81 1.23 -1.25 -0.81 0.00 0.00 175.30 174.05 3i1m s PRO 122 N 3.01 2.42 0.16 5.12 0.04 -1.26 -4.94 135.00 139.55 3i1m s PRO 122 Ca 0.30 1.86 -0.32 0.00 0.04 0.00 0.00 61.00 62.88 3i1m s PRO 122 Cb -0.14 -1.86 -0.11 0.00 0.04 0.00 0.00 34.50 32.44 3i1m s PRO 122 CO 0.16 -1.64 1.67 -1.25 0.04 0.00 0.00 177.00 175.98 3i1m s PRO 123 N -3.65 4.17 0.00 0.56 0.04 -1.26 -4.96 135.00 129.90 3i1m s PRO 123 Ca 0.77 2.48 0.00 0.00 0.04 0.00 0.00 61.00 64.29 3i1m s PRO 123 Cb -0.32 -3.25 0.00 0.00 0.04 0.00 0.00 34.50 30.98 3i1m s PRO 123 CO 0.41 -0.71 0.71 1.17 0.04 0.00 0.00 177.00 178.62 3i1m n LYS 124 N 4.43 0.00 -0.99 4.56 0.00 -1.26 -4.92 118.16 119.99 3i1m n LYS 124 Ca 0.15 0.56 -0.38 0.00 0.00 0.00 0.00 58.31 58.64 3i1m n LYS 124 Cb 0.38 -1.21 0.03 0.00 0.00 0.00 0.00 35.03 34.23 3i1m n LYS 124 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.40 177.76 3i1m n LYS 125 N -1.62 -0.03 0.00 1.64 0.00 -1.26 -4.92 118.16 111.98 3i1m n LYS 125 Ca 0.00 -0.01 0.00 0.00 -0.00 0.00 0.00 58.31 58.30 3i1m n LYS 125 Cb 0.00 -1.01 0.00 0.00 -0.00 0.00 0.00 35.03 34.02 3i1m n LYS 125 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.40 177.94 3i1m n ARG 126 N 2.41 0.00 -2.27 -1.58 5.12 -1.26 -5.07 116.66 114.01 3i1m n ARG 126 Ca -0.02 0.00 -0.34 0.00 -1.93 0.00 0.00 57.85 55.57 3i1m n ARG 126 Cb 0.73 0.00 -0.04 0.00 -1.16 0.00 0.00 32.46 32.00 3i1m n ARG 126 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3i1m s ARG 127 N 0.04 3.06 0.00 5.56 3.00 -1.26 -5.32 118.95 124.03 3i1m s ARG 127 Ca 0.00 -1.11 0.00 0.00 0.00 0.00 0.00 55.73 54.62 3i1m s ARG 127 Cb 0.00 -5.28 0.00 0.00 0.00 0.00 0.00 34.95 29.67 3i1m s ARG 127 CO 0.00 -3.09 0.02 1.33 0.00 0.00 0.00 175.30 173.56