#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3i21 h LYS 13 N 0.00 0.00 -5.68 5.56 1.57 -1.93 -3.47 116.57 112.62 3i21 h LYS 13 Ca 0.00 0.00 -0.12 0.00 -1.87 0.00 0.00 60.65 58.66 3i21 h LYS 13 Cb 0.00 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.31 3i21 h LYS 13 CO 0.00 0.00 -0.49 1.04 -0.57 0.00 0.00 179.45 179.43 3i21 n GLN 14 N -3.14 -1.83 0.01 3.15 6.02 -1.24 -4.93 117.38 115.42 3i21 n GLN 14 Ca 0.00 1.63 -0.11 0.00 -0.01 0.00 0.00 57.00 58.51 3i21 n GLN 14 Cb 0.43 -4.79 -0.04 0.00 1.02 0.00 0.00 30.24 26.86 3i21 n GLN 14 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 3i21 h VAL 15 N 1.15 0.31 0.00 5.09 2.07 -1.76 -3.47 116.25 119.64 3i21 h VAL 15 Ca -0.16 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.36 3i21 h VAL 15 Cb 1.11 0.31 0.00 0.00 -1.52 0.00 0.00 31.29 31.18 3i21 h VAL 15 CO 0.26 0.00 0.00 -1.20 0.02 0.00 0.00 177.57 176.65 3i21 n SER 16 N -5.40 0.00 -3.59 0.57 7.64 -1.05 -4.88 113.62 106.91 3i21 n SER 16 Ca -0.03 0.00 -0.29 0.00 1.01 0.00 0.00 58.87 59.56 3i21 n SER 16 Cb 0.32 0.00 -0.12 0.00 -1.01 0.00 0.00 64.21 63.40 3i21 n SER 16 CO 0.00 0.00 0.00 -1.81 -3.01 0.00 0.00 175.04 170.22 3i21 s ASP 17 N 0.17 3.24 0.00 6.43 -0.00 -1.26 -0.50 116.67 124.75 3i21 s ASP 17 Ca 0.00 -2.47 0.00 0.00 -0.00 0.00 0.00 52.55 50.08 3i21 s ASP 17 Cb 0.00 -0.73 0.00 0.00 -0.00 0.00 0.00 42.92 42.19 3i21 s ASP 17 CO 0.00 -0.28 0.00 0.61 -0.00 0.00 0.00 175.17 175.50 3i21 n GLY 18 N 3.70 2.03 3.09 0.21 0.00 -1.13 -3.73 105.19 109.36 3i21 n GLY 18 Ca 0.11 -2.11 -0.22 0.00 0.00 0.00 0.00 46.02 43.80 3i21 n GLY 18 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3i21 s VAL 19 N 1.14 1.06 -0.56 1.61 1.01 0.53 -2.27 120.40 122.93 3i21 s VAL 19 Ca 0.00 -0.56 -0.11 0.00 0.00 0.00 0.00 61.98 61.31 3i21 s VAL 19 Cb 0.00 -0.89 0.14 0.00 0.00 0.00 0.00 36.38 35.63 3i21 s VAL 19 CO 0.00 0.30 0.46 0.00 0.00 0.00 0.00 175.10 175.86 3i21 s ALA 20 N -0.21 3.58 -0.34 5.51 0.00 -0.12 -0.42 121.76 129.76 3i21 s ALA 20 Ca 0.03 -2.71 -0.20 0.00 0.00 0.00 0.00 51.96 49.08 3i21 s ALA 20 Cb -0.06 -3.04 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 3i21 s ALA 20 CO -0.00 -2.01 0.59 -1.01 0.00 0.00 0.00 175.76 173.33 3i21 s HIS 21 N 1.14 3.17 -0.18 0.00 3.76 -0.54 -0.81 115.29 121.84 3i21 s HIS 21 Ca 0.08 0.34 -0.04 0.00 -0.15 0.00 0.00 55.06 55.29 3i21 s HIS 21 Cb -0.24 -3.04 -0.02 0.00 1.11 0.00 0.00 32.58 30.39 3i21 s HIS 21 CO -0.01 -0.57 -0.03 0.42 -0.85 0.00 0.00 174.74 173.70 3i21 s ILE 22 N 2.58 3.80 -0.44 0.60 1.09 0.07 -0.25 121.20 128.65 3i21 s ILE 22 Ca 0.23 -0.38 0.01 0.00 -1.10 0.00 0.00 60.65 59.41 3i21 s ILE 22 Cb -0.15 -2.69 0.12 0.00 -1.06 0.00 0.00 42.46 38.68 3i21 s ILE 22 CO 0.14 0.47 0.20 -2.28 -0.10 0.00 0.00 174.94 173.36 3i21 s HIS 23 N 0.70 3.53 -1.18 3.97 5.65 -0.51 -2.24 115.29 125.21 3i21 s HIS 23 Ca -0.02 -2.85 -0.10 0.00 0.25 0.00 0.00 55.06 52.34 3i21 s HIS 23 Cb -0.14 -3.02 0.22 0.00 -1.18 0.00 0.00 32.58 28.46 3i21 s HIS 23 CO 0.02 -0.89 1.43 0.00 -0.65 0.00 0.00 174.74 174.65 3i21 n ALA 24 N 3.95 4.44 -0.73 1.58 0.00 -0.03 -2.32 120.51 127.41 3i21 n ALA 24 Ca 0.03 -4.47 -0.31 0.00 0.00 0.00 0.00 53.44 48.70 3i21 n ALA 24 Cb 0.39 -2.76 0.17 0.00 0.00 0.00 0.00 19.45 17.25 3i21 n ALA 24 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 3i21 s SER 25 N 1.35 2.72 0.56 0.00 1.04 -0.68 -3.20 113.70 115.49 3i21 s SER 25 Ca 0.37 2.03 0.36 0.00 0.48 0.00 0.00 55.95 59.19 3i21 s SER 25 Cb -0.02 -2.51 1.62 0.00 0.10 0.00 0.00 66.02 65.21 3i21 s SER 25 CO -0.01 -3.20 2.06 -0.26 0.98 0.00 0.00 173.24 172.81 3i21 h PHE 26 N -1.94 0.00 -0.38 5.02 -1.00 -1.96 -3.19 116.94 113.49 3i21 h PHE 26 Ca -0.46 0.00 -0.27 0.00 2.81 0.00 0.00 57.97 60.05 3i21 h PHE 26 Cb 1.28 0.00 -0.38 0.00 3.61 0.00 0.00 35.95 40.46 3i21 h PHE 26 CO 0.47 0.00 -1.01 0.27 -1.61 0.00 0.00 178.31 176.43 3i21 n ASN 27 N -3.00 2.10 0.00 2.17 2.04 -1.26 -4.83 115.26 112.48 3i21 n ASN 27 Ca -0.00 -2.46 0.00 0.00 -0.44 0.00 0.00 54.58 51.67 3i21 n ASN 27 Cb 0.23 -0.42 0.00 0.00 -2.53 0.00 0.00 39.78 37.06 3i21 n ASN 27 CO 0.00 0.00 0.00 -3.20 -0.44 0.00 0.00 177.26 173.62 3i21 n ASN 28 N -0.44 0.00 -3.73 0.53 5.15 -1.21 -4.71 115.26 110.85 3i21 n ASN 28 Ca 0.15 0.00 -0.12 0.00 -0.60 0.00 0.00 54.58 54.00 3i21 n ASN 28 Cb 0.89 0.00 -0.12 0.00 -0.53 0.00 0.00 39.78 40.02 3i21 n ASN 28 CO 0.00 0.00 0.00 -0.89 1.40 0.00 0.00 177.26 177.77 3i21 s THR 29 N -2.00 -0.03 -0.06 -0.44 2.01 -1.26 -1.68 115.64 112.17 3i21 s THR 29 Ca 0.00 0.11 0.00 0.00 0.31 0.00 0.00 61.69 62.11 3i21 s THR 29 Cb 0.00 -0.42 0.02 0.00 0.01 0.00 0.00 72.50 72.11 3i21 s THR 29 CO 0.00 0.05 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.30 3i21 s ILE 30 N 1.09 0.61 -0.15 1.82 1.01 -0.98 0.09 121.20 124.69 3i21 s ILE 30 Ca -0.08 -0.10 -0.04 0.00 0.00 0.00 0.00 60.65 60.43 3i21 s ILE 30 Cb -0.09 -0.67 -0.03 0.00 0.01 0.00 0.00 42.46 41.69 3i21 s ILE 30 CO -0.08 0.27 -0.03 -0.69 0.00 0.00 0.00 174.94 174.41 3i21 s VAL 31 N 1.34 3.99 -0.26 2.92 1.01 -0.24 -1.43 120.40 127.73 3i21 s VAL 31 Ca -0.04 -0.33 -0.02 0.00 0.00 0.00 0.00 61.98 61.60 3i21 s VAL 31 Cb -0.14 -2.74 0.08 0.00 0.00 0.00 0.00 36.38 33.59 3i21 s VAL 31 CO -0.03 0.50 0.07 -0.89 0.00 0.00 0.00 175.10 174.75 3i21 s THR 32 N 0.24 0.76 0.11 3.92 2.01 0.66 -1.36 115.64 121.98 3i21 s THR 32 Ca -0.02 -1.07 -0.30 0.00 0.31 0.00 0.00 61.69 60.60 3i21 s THR 32 Cb -0.14 -1.43 -0.07 0.00 0.01 0.00 0.00 72.50 70.87 3i21 s THR 32 CO 0.03 -0.48 1.23 -0.63 -0.69 0.00 0.00 174.62 174.07 3i21 s ILE 33 N 1.70 3.76 -0.13 1.82 -1.09 -0.03 -1.46 121.20 125.78 3i21 s ILE 33 Ca 0.05 1.33 -0.14 0.00 -2.23 0.00 0.00 60.65 59.66 3i21 s ILE 33 Cb -0.17 -3.85 0.04 0.00 -1.58 0.00 0.00 42.46 36.89 3i21 s ILE 33 CO -0.19 0.14 0.38 0.28 -1.23 0.00 0.00 174.94 174.33 3i21 s THR 34 N 0.67 0.01 0.96 2.92 -1.32 0.44 -0.75 115.64 118.56 3i21 s THR 34 Ca 0.57 -0.06 -0.11 0.00 -1.21 0.00 0.00 61.69 60.89 3i21 s THR 34 Cb -0.32 -0.56 0.15 0.00 -1.51 0.00 0.00 72.50 70.27 3i21 s THR 34 CO 0.32 -0.03 1.01 -0.90 -2.21 0.00 0.00 174.62 172.81 3i21 n ASP 35 N 2.64 -0.29 0.29 8.08 3.85 -1.22 0.20 116.55 130.11 3i21 n ASP 35 Ca -0.14 0.33 0.15 0.00 -0.71 0.00 0.00 54.79 54.42 3i21 n ASP 35 Cb 0.57 -1.41 0.76 0.00 -1.35 0.00 0.00 41.12 39.69 3i21 n ASP 35 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.20 176.27 3i21 h ARG 36 N -1.97 0.00 0.00 0.11 0.11 -1.83 0.55 114.38 111.35 3i21 h ARG 36 Ca -0.46 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.62 3i21 h ARG 36 Cb 1.28 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.36 3i21 h ARG 36 CO 0.41 0.00 0.00 1.04 0.10 0.00 0.00 179.97 181.52 3i21 n GLN 37 N -3.01 0.08 -0.76 0.08 1.13 -1.26 -4.85 117.38 108.79 3i21 n GLN 37 Ca -0.00 0.18 0.00 0.00 -1.94 0.00 0.00 57.00 55.24 3i21 n GLN 37 Cb 0.47 -1.50 0.00 0.00 0.11 0.00 0.00 30.24 29.32 3i21 n GLN 37 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3i21 n GLY 38 N 0.20 1.13 3.52 1.08 0.00 0.19 -4.96 105.19 106.35 3i21 n GLY 38 Ca 0.05 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 3i21 n GLY 38 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 3i21 s ASN 39 N -2.99 6.25 0.98 1.61 3.84 -1.26 -4.86 114.94 118.51 3i21 s ASN 39 Ca 0.00 -0.85 -0.18 0.00 0.21 0.00 0.00 52.86 52.04 3i21 s ASN 39 Cb 0.00 -2.52 -0.15 0.00 -0.55 0.00 0.00 41.25 38.03 3i21 s ASN 39 CO 0.00 -1.64 -0.89 0.00 -2.79 0.00 0.00 177.10 171.78 3i21 n ALA 40 N 8.70 -5.50 -0.85 1.71 0.00 -1.26 -3.40 120.51 119.90 3i21 n ALA 40 Ca 0.08 -0.77 0.00 0.00 0.00 0.00 0.00 53.44 52.75 3i21 n ALA 40 Cb 0.48 -1.07 0.00 0.00 0.00 0.00 0.00 19.45 18.86 3i21 n ALA 40 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 3i21 n LEU 41 N 3.44 0.00 -3.92 0.00 4.77 0.07 -4.72 117.00 116.63 3i21 n LEU 41 Ca -0.02 0.00 -0.11 0.00 -0.03 0.00 0.00 56.01 55.85 3i21 n LEU 41 Cb 0.58 0.00 -0.13 0.00 -2.33 0.00 0.00 43.42 41.54 3i21 n LEU 41 CO 0.51 -0.07 -0.36 -0.83 -1.33 0.00 0.00 177.39 175.30 3i21 s GLY 42 N -2.21 0.12 0.11 -0.72 0.00 -1.00 -5.01 107.32 98.61 3i21 s GLY 42 Ca 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 44.72 44.47 3i21 s GLY 42 CO 0.00 -0.28 -0.01 0.66 0.00 0.00 0.00 173.10 173.47 3i21 s TRP 43 N -0.59 0.88 -0.12 1.90 1.48 -1.26 -0.85 118.94 120.38 3i21 s TRP 43 Ca -0.06 -1.05 -0.29 0.00 -1.06 0.00 0.00 56.10 53.64 3i21 s TRP 43 Cb -0.04 -0.52 0.07 0.00 -1.16 0.00 0.00 33.47 31.82 3i21 s TRP 43 CO -0.00 -0.30 0.71 0.00 -4.06 0.00 0.00 176.95 173.29 3i21 s ALA 44 N -3.80 -1.78 0.50 2.67 0.00 -0.47 -4.93 121.76 113.95 3i21 s ALA 44 Ca 0.17 1.55 0.02 0.00 0.00 0.00 0.00 51.96 53.70 3i21 s ALA 44 Cb 0.07 -0.40 -0.02 0.00 0.00 0.00 0.00 23.12 22.76 3i21 s ALA 44 CO -0.02 -0.36 0.01 0.95 0.00 0.00 0.00 175.76 176.34 3i21 s THR 45 N -0.69 1.26 0.03 0.00 -4.23 -1.26 -1.08 115.64 109.67 3i21 s THR 45 Ca -0.07 -2.00 -0.18 0.00 -1.18 0.00 0.00 61.69 58.26 3i21 s THR 45 Cb -0.02 -2.27 -0.21 0.00 1.34 0.00 0.00 72.50 71.35 3i21 s THR 45 CO 0.07 0.00 1.18 0.00 -0.54 0.00 0.00 174.62 175.32 3i21 h ALA 46 N 1.42 0.15 -0.31 3.99 0.00 -0.65 -3.02 119.26 120.83 3i21 h ALA 46 Ca -0.44 -0.55 -0.01 0.00 0.00 0.00 0.00 54.91 53.92 3i21 h ALA 46 Cb 1.30 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 3i21 h ALA 46 CO 0.75 0.40 0.15 0.78 0.00 0.00 0.00 179.25 181.32 3i21 h GLY 47 N 0.06 0.46 1.91 0.00 0.00 -1.82 -1.90 103.07 101.77 3i21 h GLY 47 Ca -0.06 -0.20 0.00 0.00 0.00 0.00 0.00 47.33 47.08 3i21 h GLY 47 CO 0.12 0.19 -0.07 -1.33 0.00 0.00 0.00 176.54 175.44 3i21 h GLY 48 N 0.54 0.00 1.77 4.60 0.00 -1.92 -3.07 103.07 104.99 3i21 h GLY 48 Ca 0.11 0.00 -0.16 0.00 0.00 0.00 0.00 47.33 47.29 3i21 h GLY 48 CO -0.02 0.00 -0.65 1.76 0.00 0.00 0.00 176.54 177.63 3i21 h SER 49 N 0.00 0.27 0.00 0.19 0.02 -1.21 -3.48 113.55 109.34 3i21 h SER 49 Ca 0.00 -0.16 0.00 0.00 -0.84 0.00 0.00 61.79 60.79 3i21 h SER 49 Cb 0.84 -0.08 0.00 0.00 0.14 0.00 0.00 62.40 63.30 3i21 h SER 49 CO 0.00 0.85 0.00 0.61 -1.14 0.00 0.00 176.83 177.15 3i21 n GLY 50 N 0.37 0.93 2.60 -3.77 0.00 -1.16 -5.10 105.19 99.07 3i21 n GLY 50 Ca -0.03 -0.07 -0.26 0.00 0.00 0.00 0.00 46.02 45.66 3i21 n GLY 50 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i21 s PHE 51 N -0.02 0.17 -0.06 1.61 0.08 -1.25 -5.06 117.98 113.46 3i21 s PHE 51 Ca 0.00 -0.44 -0.05 0.00 0.12 0.00 0.00 56.93 56.56 3i21 s PHE 51 Cb 0.00 -0.72 -0.04 0.00 -0.57 0.00 0.00 43.02 41.69 3i21 s PHE 51 CO 0.00 -0.63 0.17 1.03 -0.10 0.00 0.00 175.22 175.69 3i21 s ARG 52 N 2.15 3.45 5.90 0.44 1.81 -1.26 -3.36 118.95 128.08 3i21 s ARG 52 Ca 0.05 -0.22 0.00 0.00 -1.72 0.00 0.00 55.73 53.84 3i21 s ARG 52 Cb -0.16 -3.14 0.00 0.00 -0.45 0.00 0.00 34.95 31.20 3i21 s ARG 52 CO -0.19 0.72 0.00 0.41 -0.68 0.00 0.00 175.30 175.56 3i21 n GLY 53 N 1.40 1.42 0.42 -3.53 0.00 -1.26 -3.32 105.19 100.32 3i21 n GLY 53 Ca -0.15 0.17 -0.17 0.00 0.00 0.00 0.00 46.02 45.87 3i21 n GLY 53 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3i21 h SER 54 N 0.00 -1.10 -0.70 1.61 4.64 -1.99 -2.97 113.55 113.03 3i21 h SER 54 Ca 0.00 0.09 0.15 0.00 -0.47 0.00 0.00 61.79 61.56 3i21 h SER 54 Cb 0.00 0.37 -0.11 0.00 -0.31 0.00 0.00 62.40 62.35 3i21 h SER 54 CO 0.00 -0.56 0.13 0.03 -0.87 0.00 0.00 176.83 175.56 3i21 h ARG 55 N -0.84 0.23 -0.43 4.77 -0.00 -1.85 -0.78 114.38 115.47 3i21 h ARG 55 Ca -0.04 -0.01 0.13 0.00 -0.50 0.00 0.00 59.98 59.55 3i21 h ARG 55 Cb 0.74 -0.05 -0.02 0.00 0.00 0.00 0.00 29.97 30.65 3i21 h ARG 55 CO -0.06 0.15 0.64 -0.22 0.00 0.00 0.00 179.97 180.48 3i21 h LYS 56 N 0.23 0.00 -0.27 0.04 3.64 -1.52 0.10 116.57 118.79 3i21 h LYS 56 Ca 0.39 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.69 3i21 h LYS 56 Cb 0.65 0.00 -0.05 0.00 -0.41 0.00 0.00 32.23 32.43 3i21 h LYS 56 CO -0.51 0.00 -0.04 -1.13 -2.27 0.00 0.00 179.45 175.50 3i21 n SER 57 N -3.34 3.10 -4.65 4.20 3.41 -0.30 -3.74 113.62 112.30 3i21 n SER 57 Ca 0.08 -3.36 -0.35 0.00 -0.26 0.00 0.00 58.87 54.99 3i21 n SER 57 Cb 0.80 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 64.08 3i21 n SER 57 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3i21 s THR 58 N -3.02 4.13 0.65 6.66 -4.23 0.36 -4.21 115.64 115.98 3i21 s THR 58 Ca 0.42 -0.33 0.26 0.00 -1.18 0.00 0.00 61.69 60.86 3i21 s THR 58 Cb 0.36 -2.73 0.28 0.00 1.34 0.00 0.00 72.50 71.76 3i21 s THR 58 CO 0.04 0.59 1.77 1.55 -0.54 0.00 0.00 174.62 178.04 3i21 h PRO 59 N 5.15 0.00 -0.43 3.99 0.13 -1.92 -0.92 132.00 138.00 3i21 h PRO 59 Ca -0.50 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.56 3i21 h PRO 59 Cb 1.19 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3i21 h PRO 59 CO 0.54 0.00 -0.02 0.35 -0.23 0.00 0.00 178.00 178.64 3i21 h PHE 60 N 0.00 0.85 -0.26 1.56 3.57 -1.94 -2.92 116.94 117.80 3i21 h PHE 60 Ca 0.07 -0.15 0.01 0.00 3.53 0.00 0.00 57.97 61.43 3i21 h PHE 60 Cb 1.04 -0.22 -0.02 0.00 2.79 0.00 0.00 35.95 39.54 3i21 h PHE 60 CO 0.00 0.84 0.14 0.00 -2.23 0.00 0.00 178.31 177.06 3i21 h ALA 61 N 0.89 0.32 -0.44 2.41 0.00 -1.38 -2.69 119.26 118.37 3i21 h ALA 61 Ca 0.12 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.10 3i21 h ALA 61 Cb 0.51 -0.06 -0.09 0.00 0.00 0.00 0.00 17.79 18.16 3i21 h ALA 61 CO 0.03 -0.25 -0.49 0.00 0.00 0.00 0.00 179.25 178.53 3i21 h ALA 62 N 1.12 -0.57 0.03 0.00 0.00 -1.56 -0.58 119.26 117.70 3i21 h ALA 62 Ca 0.10 0.04 -0.00 0.00 0.00 0.00 0.00 54.91 55.06 3i21 h ALA 62 Cb 0.01 1.01 0.00 0.00 0.00 0.00 0.00 17.79 18.82 3i21 h ALA 62 CO -0.06 -0.94 -0.02 -0.56 0.00 0.00 0.00 179.25 177.67 3i21 h GLN 63 N -0.34 -0.04 0.00 0.00 3.07 -1.38 2.57 115.11 118.98 3i21 h GLN 63 Ca 0.12 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.86 3i21 h GLN 63 Cb 0.59 0.01 0.00 0.00 0.08 0.00 0.00 27.48 28.16 3i21 h GLN 63 CO -0.61 -0.01 0.00 1.33 0.09 0.00 0.00 178.83 179.64 3i21 n VAL 64 N -5.10 0.68 -0.05 1.86 0.24 -1.03 0.61 118.33 115.54 3i21 n VAL 64 Ca -0.07 0.17 -0.05 0.00 -2.04 0.00 0.00 64.34 62.34 3i21 n VAL 64 Cb 0.06 -1.06 -0.08 0.00 -1.47 0.00 0.00 33.84 31.28 3i21 n VAL 64 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 3i21 n ALA 65 N -1.22 1.74 0.06 2.33 0.00 0.27 -3.75 120.51 119.94 3i21 n ALA 65 Ca 0.04 -0.70 -0.09 0.00 0.00 0.00 0.00 53.44 52.69 3i21 n ALA 65 Cb 0.05 0.03 -0.06 0.00 0.00 0.00 0.00 19.45 19.47 3i21 n ALA 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 h ALA 66 N 0.50 -0.24 -0.28 0.00 0.00 0.71 0.14 119.26 120.10 3i21 h ALA 66 Ca -0.29 -0.19 -0.08 0.00 0.00 0.00 0.00 54.91 54.35 3i21 h ALA 66 Cb 1.65 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.52 3i21 h ALA 66 CO 0.01 -0.28 -0.18 1.49 0.00 0.00 0.00 179.25 180.30 3i21 h GLU 67 N -0.96 0.49 -0.56 0.00 4.81 -0.06 -0.05 114.58 118.25 3i21 h GLU 67 Ca -0.02 -0.16 0.02 0.00 -0.13 0.00 0.00 59.36 59.06 3i21 h GLU 67 Cb 0.45 -0.04 -0.03 0.00 0.63 0.00 0.00 28.75 29.76 3i21 h GLU 67 CO 0.04 0.65 0.37 -0.09 -0.73 0.00 0.00 179.01 179.26 3i21 h ARG 68 N 0.45 0.69 -3.09 1.92 2.43 -1.64 -1.71 114.38 113.42 3i21 h ARG 68 Ca 0.08 -0.04 -0.68 0.00 -0.81 0.00 0.00 59.98 58.52 3i21 h ARG 68 Cb 0.57 -0.16 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 3i21 h ARG 68 CO 0.04 0.45 3.64 0.00 -1.51 0.00 0.00 179.97 182.59 3i21 n ALA 70 N 3.72 0.00 0.46 0.00 0.00 -0.97 -4.86 120.51 118.87 3i21 n ALA 70 Ca 0.74 0.00 0.05 0.00 0.00 0.00 0.00 53.44 54.23 3i21 n ALA 70 Cb 0.25 0.00 0.25 0.00 0.00 0.00 0.00 19.45 19.95 3i21 n ALA 70 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 3i21 n ASP 71 N 0.00 0.00 -0.11 0.00 10.43 -0.68 -0.73 116.55 125.46 3i21 n ASP 71 Ca 0.00 0.13 0.01 0.00 2.57 0.00 0.00 54.79 57.50 3i21 n ASP 71 Cb 0.00 -0.27 0.01 0.00 1.84 0.00 0.00 41.12 42.70 3i21 n ASP 71 CO 0.00 0.00 0.00 0.00 -1.07 0.00 0.00 177.20 176.13 3i21 n ALA 72 N -1.27 1.56 0.00 2.24 0.00 -1.24 -4.84 120.51 116.95 3i21 n ALA 72 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.56 3i21 n ALA 72 Cb 0.08 -0.14 0.00 0.00 0.00 0.00 0.00 19.45 19.39 3i21 n ALA 72 CO 0.00 0.00 0.00 1.33 0.00 0.00 0.00 177.50 178.83 3i21 n VAL 73 N -0.26 0.00 0.63 0.00 0.24 -0.61 -4.82 118.33 113.52 3i21 n VAL 73 Ca 0.02 0.00 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 3i21 n VAL 73 Cb 0.50 -0.23 0.00 0.00 -1.47 0.00 0.00 33.84 32.64 3i21 n VAL 73 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3i21 n LYS 74 N -0.90 0.63 -0.70 7.34 4.81 0.09 -3.09 118.16 126.35 3i21 n LYS 74 Ca 0.00 0.00 -0.04 0.00 -0.87 0.00 0.00 58.31 57.40 3i21 n LYS 74 Cb 0.13 -1.27 0.21 0.00 0.02 0.00 0.00 35.03 34.11 3i21 n LYS 74 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 3i21 n GLU 75 N 0.34 2.84 -0.10 1.64 -0.58 -1.26 -3.63 120.64 119.89 3i21 n GLU 75 Ca 0.00 -2.07 0.09 0.00 -0.42 0.00 0.00 57.16 54.76 3i21 n GLU 75 Cb 0.21 -1.92 0.12 0.00 -0.57 0.00 0.00 31.44 29.29 3i21 n GLU 75 CO 0.00 0.00 0.00 0.66 -0.48 0.00 0.00 177.13 177.31 3i21 n TYR 76 N -0.03 0.00 -3.68 -0.32 4.01 -1.18 -4.75 117.16 111.20 3i21 n TYR 76 Ca 0.28 -0.90 -0.24 0.00 -0.16 0.00 0.00 57.90 56.88 3i21 n TYR 76 Cb 1.07 -0.14 0.03 0.00 -0.31 0.00 0.00 39.34 39.99 3i21 n TYR 76 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 3i21 n GLY 77 N -1.29 -0.56 3.52 2.72 0.00 -1.24 -2.90 105.19 105.45 3i21 n GLY 77 Ca 0.14 0.27 -0.43 0.00 0.00 0.00 0.00 46.02 46.00 3i21 n GLY 77 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 3i21 s ILE 78 N -3.63 4.83 0.00 -0.61 -0.00 -1.26 -2.52 121.20 118.01 3i21 s ILE 78 Ca 0.18 0.14 0.00 0.00 -0.00 0.00 0.00 60.65 60.97 3i21 s ILE 78 Cb -0.05 -4.20 0.00 0.00 -0.00 0.00 0.00 42.46 38.21 3i21 s ILE 78 CO 0.83 -0.58 0.00 0.29 -0.00 0.00 0.00 174.94 175.48 3i21 n LYS 79 N 6.25 0.00 -4.17 0.37 4.76 0.34 -4.85 118.16 120.86 3i21 n LYS 79 Ca -0.02 0.27 -0.33 0.00 -2.87 0.00 0.00 58.31 55.36 3i21 n LYS 79 Cb 0.48 -0.74 -0.16 0.00 -1.84 0.00 0.00 35.03 32.77 3i21 n LYS 79 CO 0.00 0.00 0.00 -0.80 -1.37 0.00 0.00 177.40 175.23 3i21 s ASN 80 N -2.38 3.21 -0.12 4.39 0.01 -0.67 -0.95 114.94 118.43 3i21 s ASN 80 Ca 0.00 -0.63 0.03 0.00 -0.71 0.00 0.00 52.86 51.55 3i21 s ASN 80 Cb 0.00 -1.49 0.01 0.00 0.41 0.00 0.00 41.25 40.18 3i21 s ASN 80 CO 0.00 0.01 -0.20 -1.48 -1.51 0.00 0.00 177.10 173.92 3i21 s LEU 81 N 1.24 1.96 0.94 0.60 -0.00 0.66 -2.83 118.68 121.25 3i21 s LEU 81 Ca 0.04 -0.53 -0.11 0.00 -0.00 0.00 0.00 54.13 53.53 3i21 s LEU 81 Cb -0.13 -1.30 0.16 0.00 -0.00 0.00 0.00 46.19 44.91 3i21 s LEU 81 CO -0.11 0.08 1.09 -1.83 -0.00 0.00 0.00 176.35 175.57 3i21 s GLU 82 N 0.76 0.88 -0.03 1.48 1.03 -0.96 -2.71 118.70 119.15 3i21 s GLU 82 Ca -0.10 0.99 0.01 0.00 0.03 0.00 0.00 54.97 55.90 3i21 s GLU 82 Cb -0.16 -1.75 0.01 0.00 -0.80 0.00 0.00 34.13 31.43 3i21 s GLU 82 CO 0.01 -2.55 -0.05 0.08 -1.33 0.00 0.00 175.26 171.43 3i21 s VAL 83 N -2.79 0.48 -0.10 1.83 1.01 0.31 -0.95 120.40 120.20 3i21 s VAL 83 Ca 0.65 -0.16 0.02 0.00 0.00 0.00 0.00 61.98 62.49 3i21 s VAL 83 Cb -0.20 -0.48 0.02 0.00 0.00 0.00 0.00 36.38 35.72 3i21 s VAL 83 CO 0.58 0.18 -0.14 -0.04 0.00 0.00 0.00 175.10 175.69 3i21 s MET 84 N 0.52 2.05 0.08 2.72 -1.94 0.01 -0.69 119.30 122.06 3i21 s MET 84 Ca -0.06 -0.50 0.10 0.00 -1.71 0.00 0.00 55.69 53.51 3i21 s MET 84 Cb -0.10 -1.77 -0.03 0.00 2.01 0.00 0.00 34.83 34.93 3i21 s MET 84 CO -0.00 -0.07 -0.25 0.08 -0.01 0.00 0.00 175.02 174.76 3i21 s VAL 85 N 1.02 2.08 -0.14 -6.03 1.01 -1.09 -0.75 120.40 116.49 3i21 s VAL 85 Ca -0.07 -1.53 -0.09 0.00 0.00 0.00 0.00 61.98 60.30 3i21 s VAL 85 Cb -0.15 -1.82 0.05 0.00 0.00 0.00 0.00 36.38 34.46 3i21 s VAL 85 CO -0.01 0.19 0.35 -1.59 0.00 0.00 0.00 175.10 174.03 3i21 s LYS 86 N -1.63 0.35 0.00 2.72 -2.85 -0.95 -1.65 119.74 115.73 3i21 s LYS 86 Ca 0.11 0.62 0.00 0.00 -1.00 0.00 0.00 55.97 55.71 3i21 s LYS 86 Cb -0.10 0.02 0.00 0.00 -2.06 0.00 0.00 37.83 35.69 3i21 s LYS 86 CO 0.04 -0.12 0.00 0.41 0.10 0.00 0.00 175.35 175.77 3i21 n GLY 87 N 3.82 1.79 0.00 0.59 0.00 -1.26 -0.85 105.19 109.28 3i21 n GLY 87 Ca -0.21 -1.82 0.00 0.00 0.00 0.00 0.00 46.02 43.99 3i21 n GLY 87 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i21 n PRO 88 N 1.65 3.34 0.00 1.61 -0.04 -1.19 -4.60 135.00 135.76 3i21 n PRO 88 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i21 n PRO 88 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i21 n PRO 88 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i21 n GLY 89 N 5.00 -0.59 0.00 0.55 0.00 -1.26 -4.32 105.19 104.57 3i21 n GLY 89 Ca 0.00 -1.46 0.00 0.00 0.00 0.00 0.00 46.02 44.56 3i21 n GLY 89 CO 0.00 0.00 0.00 -1.55 0.00 0.00 0.00 173.32 171.77 3i21 n PRO 90 N 0.00 0.13 0.00 1.61 -0.04 -1.26 -4.61 135.00 130.83 3i21 n PRO 90 Ca 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.46 3i21 n PRO 90 Cb 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 33.46 3i21 n PRO 90 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 3i21 n GLY 91 N 0.43 1.00 7.00 0.55 0.00 -1.26 -4.60 105.19 108.31 3i21 n GLY 91 Ca 0.00 0.54 0.00 0.00 0.00 0.00 0.00 46.02 46.56 3i21 n GLY 91 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 3i21 n ARG 92 N 0.00 0.00 0.05 1.61 3.00 -1.26 0.31 116.66 120.37 3i21 n ARG 92 Ca 0.00 0.00 -0.11 0.00 -0.00 0.00 0.00 57.85 57.74 3i21 n ARG 92 Cb 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 32.46 32.33 3i21 n ARG 92 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 177.63 178.68 3i21 h GLU 93 N 0.00 0.11 0.08 -0.14 4.11 -1.94 -3.39 114.58 113.42 3i21 h GLU 93 Ca 0.00 -0.19 0.00 0.00 0.07 0.00 0.00 59.36 59.25 3i21 h GLU 93 Cb 0.00 0.07 -0.02 0.00 0.50 0.00 0.00 28.75 29.30 3i21 h GLU 93 CO 0.00 0.97 -0.26 1.03 0.07 0.00 0.00 179.01 180.82 3i21 h SER 94 N 0.03 -0.77 -0.86 3.06 0.87 -0.46 -2.69 113.55 112.73 3i21 h SER 94 Ca -0.15 0.08 0.10 0.00 -1.23 0.00 0.00 61.79 60.59 3i21 h SER 94 Cb 1.92 0.28 -0.12 0.00 -0.44 0.00 0.00 62.40 64.04 3i21 h SER 94 CO 0.14 -0.28 -0.44 1.07 -0.53 0.00 0.00 176.83 176.78 3i21 n THR 95 N -3.92 -0.54 -0.28 2.23 5.66 -1.14 0.31 114.28 116.61 3i21 n THR 95 Ca -0.04 2.05 0.06 0.00 -3.05 0.00 0.00 64.05 63.07 3i21 n THR 95 Cb 0.20 -2.59 0.17 0.00 -1.55 0.00 0.00 70.33 66.56 3i21 n THR 95 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 175.07 172.42 3i21 h ILE 96 N 0.00 0.25 0.00 1.09 2.04 -1.67 -0.65 117.51 118.56 3i21 h ILE 96 Ca 0.19 -0.02 0.00 0.00 1.00 0.00 0.00 64.86 66.03 3i21 h ILE 96 Cb 0.41 0.18 0.00 0.00 -0.74 0.00 0.00 36.82 36.67 3i21 h ILE 96 CO -0.82 0.01 0.00 0.54 0.00 0.00 0.00 178.15 177.88 3i21 n ARG 97 N -5.41 0.00 -0.09 2.37 1.74 0.15 -0.45 116.66 114.96 3i21 n ARG 97 Ca 0.15 0.78 0.19 0.00 -0.77 0.00 0.00 57.85 58.21 3i21 n ARG 97 Cb 0.51 -1.39 0.62 0.00 -1.02 0.00 0.00 32.46 31.18 3i21 n ARG 97 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3i21 h ALA 98 N -1.39 2.39 0.34 7.54 0.00 -1.38 0.48 119.26 127.25 3i21 h ALA 98 Ca 0.00 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 3i21 h ALA 98 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.80 3i21 h ALA 98 CO 0.00 -0.58 -0.16 1.25 0.00 0.00 0.00 179.25 179.76 3i21 h LEU 99 N 0.16 -0.39 -0.27 0.00 5.85 0.54 -2.05 115.31 119.16 3i21 h LEU 99 Ca 0.32 -0.02 -0.20 0.00 0.84 0.00 0.00 57.88 58.83 3i21 h LEU 99 Cb 1.04 0.10 -0.01 0.00 0.37 0.00 0.00 40.66 42.16 3i21 h LEU 99 CO -0.05 -0.24 -0.89 -1.13 -0.34 0.00 0.00 178.44 175.79 3i21 h ASN 100 N -0.50 0.26 0.00 1.25 -1.24 0.03 -2.97 115.58 112.40 3i21 h ASN 100 Ca -0.05 -0.21 0.00 0.00 0.71 0.00 0.00 56.30 56.75 3i21 h ASN 100 Cb 0.38 -0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.35 3i21 h ASN 100 CO 0.08 1.02 0.00 0.00 -1.29 0.00 0.00 177.43 177.23 3i21 n ALA 101 N -2.46 1.90 -0.01 1.57 0.00 0.16 -0.63 120.51 121.04 3i21 n ALA 101 Ca -0.04 -0.03 0.11 0.00 0.00 0.00 0.00 53.44 53.48 3i21 n ALA 101 Cb 0.81 -1.08 -0.16 0.00 0.00 0.00 0.00 19.45 19.01 3i21 n ALA 101 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3i21 n ALA 102 N -0.72 2.78 0.00 0.00 0.00 -0.78 -4.97 120.51 116.82 3i21 n ALA 102 Ca 0.04 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.97 3i21 n ALA 102 Cb 0.02 -0.72 0.00 0.00 0.00 0.00 0.00 19.45 18.75 3i21 n ALA 102 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3i21 n GLY 103 N 1.30 1.09 3.66 0.00 0.00 0.20 -5.09 105.19 106.36 3i21 n GLY 103 Ca -0.04 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.56 3i21 n GLY 103 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3i21 s PHE 104 N -1.88 2.24 -0.37 1.61 0.40 -1.24 -4.91 117.98 113.83 3i21 s PHE 104 Ca 0.00 0.42 -0.28 0.00 -0.60 0.00 0.00 56.93 56.47 3i21 s PHE 104 Cb 0.00 -3.81 -0.03 0.00 0.51 0.00 0.00 43.02 39.69 3i21 s PHE 104 CO 0.00 -3.28 1.96 0.50 0.70 0.00 0.00 175.22 175.10 3i21 s ARG 105 N 3.78 3.04 -0.48 0.44 3.00 -0.12 -4.51 118.95 124.09 3i21 s ARG 105 Ca 0.69 1.41 -0.29 0.00 -1.00 0.00 0.00 55.73 56.54 3i21 s ARG 105 Cb -0.31 -4.31 0.02 0.00 0.00 0.00 0.00 34.95 30.35 3i21 s ARG 105 CO 0.26 -2.21 1.34 -1.50 0.00 0.00 0.00 175.30 173.19 3i21 s ILE 106 N 8.12 3.94 -0.15 4.11 2.07 -1.26 -0.25 121.20 137.78 3i21 s ILE 106 Ca 0.84 0.91 -0.13 0.00 -1.41 0.00 0.00 60.65 60.86 3i21 s ILE 106 Cb -0.22 -4.39 -0.09 0.00 0.13 0.00 0.00 42.46 37.88 3i21 s ILE 106 CO 0.31 -0.97 0.08 0.74 -1.91 0.00 0.00 174.94 173.18 3i21 h THR 107 N 6.37 0.46 -2.61 4.00 2.02 -1.85 -3.48 112.91 117.81 3i21 h THR 107 Ca -0.26 -1.47 -0.19 0.00 0.77 0.00 0.00 66.41 65.26 3i21 h THR 107 Cb 1.09 0.99 -0.31 0.00 -1.74 0.00 0.00 68.15 68.17 3i21 h THR 107 CO 1.13 0.15 -0.49 0.21 0.37 0.00 0.00 175.52 176.89 3i21 s ASN 108 N -6.04 0.30 -0.24 4.18 2.47 -1.26 -4.97 114.94 109.38 3i21 s ASN 108 Ca -0.16 0.56 -0.09 0.00 0.42 0.00 0.00 52.86 53.59 3i21 s ASN 108 Cb 0.02 0.88 -0.04 0.00 -1.45 0.00 0.00 41.25 40.66 3i21 s ASN 108 CO 0.33 -0.25 0.11 -0.63 -3.72 0.00 0.00 177.10 172.93 3i21 s ILE 109 N 2.47 4.81 0.38 -5.21 1.01 -1.26 0.11 121.20 123.52 3i21 s ILE 109 Ca 0.03 -0.01 0.04 0.00 0.00 0.00 0.00 60.65 60.71 3i21 s ILE 109 Cb -0.13 -3.24 -0.05 0.00 0.01 0.00 0.00 42.46 39.05 3i21 s ILE 109 CO -0.11 0.35 0.07 0.42 0.00 0.00 0.00 174.94 175.67 3i21 s THR 110 N 1.27 1.05 -0.15 2.92 -4.23 0.14 -4.98 115.64 111.66 3i21 s THR 110 Ca 0.06 -2.00 -0.04 0.00 -1.18 0.00 0.00 61.69 58.53 3i21 s THR 110 Cb -0.14 -2.59 0.05 0.00 1.34 0.00 0.00 72.50 71.16 3i21 s THR 110 CO 0.05 0.00 0.07 -0.62 -0.54 0.00 0.00 174.62 173.58 3i21 s ASP 111 N -3.59 2.24 -0.80 3.99 2.15 -1.26 -2.66 116.67 116.74 3i21 s ASP 111 Ca 0.28 -0.53 0.02 0.00 0.43 0.00 0.00 52.55 52.75 3i21 s ASP 111 Cb 0.06 -0.29 0.34 0.00 -0.30 0.00 0.00 42.92 42.73 3i21 s ASP 111 CO 0.14 -0.32 1.46 1.33 -0.17 0.00 0.00 175.17 177.61 3i21 n VAL 112 N 5.24 4.47 -2.96 1.11 0.24 -0.66 -4.95 118.33 120.83 3i21 n VAL 112 Ca -0.07 -5.61 -0.40 0.00 -2.04 0.00 0.00 64.34 56.22 3i21 n VAL 112 Cb 0.49 -1.44 -0.05 0.00 -1.47 0.00 0.00 33.84 31.37 3i21 n VAL 112 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 3i21 s THR 113 N -4.55 4.84 0.37 3.34 2.01 -1.25 -4.74 115.64 115.67 3i21 s THR 113 Ca 0.45 1.63 -0.25 0.00 0.31 0.00 0.00 61.69 63.83 3i21 s THR 113 Cb 0.26 -4.12 -0.13 0.00 0.01 0.00 0.00 72.50 68.53 3i21 s THR 113 CO -0.16 0.30 0.82 -0.81 -0.69 0.00 0.00 174.62 174.07 3i21 n PRO 114 N 3.25 0.98 -3.19 4.92 -0.04 -1.26 -4.97 135.00 134.70 3i21 n PRO 114 Ca -0.01 0.35 -0.21 0.00 -0.04 0.00 0.00 63.50 63.59 3i21 n PRO 114 Cb 0.51 -1.73 -0.06 0.00 -0.04 0.00 0.00 33.50 32.17 3i21 n PRO 114 CO 0.00 0.00 0.00 1.51 -0.04 0.00 0.00 175.50 176.97 3i21 n ILE 115 N -0.40 -0.80 -1.58 0.52 3.06 -1.26 -5.07 119.36 113.82 3i21 n ILE 115 Ca 0.11 -3.08 -0.44 0.00 -2.50 0.00 0.00 62.75 56.84 3i21 n ILE 115 Cb 0.36 -1.09 -0.01 0.00 0.54 0.00 0.00 39.64 39.44 3i21 n ILE 115 CO 0.00 0.00 0.00 -0.81 -2.50 0.00 0.00 176.55 173.24 3i21 n PRO 116 N 2.34 1.30 -0.50 9.51 -0.04 -1.26 -4.84 135.00 141.51 3i21 n PRO 116 Ca 0.24 0.46 -0.05 0.00 -0.04 0.00 0.00 63.50 64.11 3i21 n PRO 116 Cb 0.52 -1.85 0.02 0.00 -0.04 0.00 0.00 33.50 32.15 3i21 n PRO 116 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 3i21 n HIS 117 N 0.05 0.48 -1.56 0.54 8.25 -1.26 -4.74 115.22 116.99 3i21 n HIS 117 Ca 0.10 -1.13 -0.00 0.00 -0.26 0.00 0.00 57.72 56.43 3i21 n HIS 117 Cb 0.33 -0.56 0.00 0.00 1.12 0.00 0.00 29.99 30.88 3i21 n HIS 117 CO 0.00 0.00 0.00 0.09 0.64 0.00 0.00 176.34 177.07 3i21 n ASN 118 N 0.88 -2.21 0.00 0.41 5.03 -1.26 -5.10 115.26 113.01 3i21 n ASN 118 Ca 0.09 -0.00 0.00 0.00 0.87 0.00 0.00 54.58 55.54 3i21 n ASN 118 Cb 0.57 -1.14 0.00 0.00 -1.02 0.00 0.00 39.78 38.18 3i21 n ASN 118 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3i21 n GLY 119 N -1.04 -0.06 0.00 7.41 0.00 -1.26 -5.08 105.19 105.15 3i21 n GLY 119 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 3i21 n GLY 119 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3i21 s ARG 121 N -0.74 3.30 0.53 0.00 0.52 -1.26 -5.12 118.95 116.19 3i21 s ARG 121 Ca 0.00 -0.57 -0.21 0.00 -0.52 0.00 0.00 55.73 54.43 3i21 s ARG 121 Cb 0.00 -2.74 -0.05 0.00 0.52 0.00 0.00 34.95 32.68 3i21 s ARG 121 CO 0.00 0.37 1.20 -2.14 0.02 0.00 0.00 175.30 174.75 3i21 s PRO 122 N -0.03 3.33 0.23 3.54 0.02 -1.26 -4.98 135.00 135.85 3i21 s PRO 122 Ca -0.00 1.82 -0.30 0.00 0.02 0.00 0.00 61.00 62.54 3i21 s PRO 122 Cb -0.14 -2.14 -0.09 0.00 0.02 0.00 0.00 34.50 32.16 3i21 s PRO 122 CO 0.03 -0.92 1.18 -1.25 -0.33 0.00 0.00 177.00 175.71 3i21 s PRO 123 N -3.06 4.53 0.05 5.54 0.04 -1.26 -4.96 135.00 135.87 3i21 s PRO 123 Ca 0.71 1.88 -0.11 0.00 0.04 0.00 0.00 61.00 63.52 3i21 s PRO 123 Cb -0.30 -3.21 -0.04 0.00 0.04 0.00 0.00 34.50 30.99 3i21 s PRO 123 CO 0.34 -0.01 1.19 -0.22 0.04 0.00 0.00 177.00 178.34 3i21 h LYS 124 N 4.66 -0.12 0.00 4.56 1.63 -2.08 -3.46 116.57 121.76 3i21 h LYS 124 Ca -0.46 0.01 0.02 0.00 -0.85 0.00 0.00 60.65 59.37 3i21 h LYS 124 Cb 1.21 0.03 -0.00 0.00 -0.60 0.00 0.00 32.23 32.87 3i21 h LYS 124 CO 0.71 -0.08 -0.02 1.63 -3.45 0.00 0.00 179.45 178.24 3i21 n LYS 125 N -3.64 -0.13 -0.11 1.90 5.02 -1.26 -4.87 118.16 115.07 3i21 n LYS 125 Ca -0.01 0.08 0.00 0.00 -2.02 0.00 0.00 58.31 56.36 3i21 n LYS 125 Cb 0.12 -0.16 0.00 0.00 -0.02 0.00 0.00 35.03 34.97 3i21 n LYS 125 CO 0.00 0.00 0.00 0.54 -0.52 0.00 0.00 177.40 177.42 3i21 n ARG 126 N -0.52 0.00 -2.20 1.97 5.12 -1.26 -4.95 116.66 114.83 3i21 n ARG 126 Ca 0.00 0.00 -0.02 0.00 -1.93 0.00 0.00 57.85 55.91 3i21 n ARG 126 Cb 0.03 -0.03 0.08 0.00 -1.16 0.00 0.00 32.46 31.38 3i21 n ARG 126 CO 0.00 0.00 0.00 -2.13 -1.93 0.00 0.00 177.63 173.57 3i21 n ARG 127 N 1.03 0.86 0.00 5.56 0.63 -1.26 -5.23 116.66 118.25 3i21 n ARG 127 Ca 0.00 -0.80 0.00 0.00 -0.92 0.00 0.00 57.85 56.13 3i21 n ARG 127 Cb 0.00 0.30 0.02 0.00 0.45 0.00 0.00 32.46 33.23 3i21 n ARG 127 CO 0.00 0.00 0.00 0.28 -2.51 0.00 0.00 177.63 175.40