#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntr s GLN 2 N 0.00 1.80 -0.19 2.12 -0.21 -1.25 -5.06 119.66 116.86 1ntr s GLN 2 Ca 0.00 -1.75 -0.07 0.00 0.02 0.00 0.00 55.36 53.56 1ntr s GLN 2 Cb 0.00 0.41 0.09 0.00 1.00 0.00 0.00 33.01 34.51 1ntr s GLN 2 CO 0.00 -0.72 0.40 -0.98 -2.12 0.00 0.00 175.29 171.87 1ntr s ARG 3 N -3.29 0.31 0.00 2.91 1.70 -1.26 -4.82 118.95 114.50 1ntr s ARG 3 Ca 0.32 0.99 0.00 0.00 -0.47 0.00 0.00 55.73 56.57 1ntr s ARG 3 Cb 0.01 0.27 0.00 0.00 -0.57 0.00 0.00 34.95 34.66 1ntr s ARG 3 CO 0.20 -0.25 0.00 0.41 -1.08 0.00 0.00 175.30 174.58 1ntr n GLY 4 N 5.30 2.55 3.14 3.88 0.00 -1.26 -4.83 105.19 113.97 1ntr n GLY 4 Ca -0.09 -0.56 -0.28 0.00 0.00 0.00 0.00 46.02 45.08 1ntr n GLY 4 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1ntr s ILE 5 N -2.00 1.62 -0.20 -0.61 1.01 -1.26 -2.06 121.20 117.70 1ntr s ILE 5 Ca 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 60.65 59.87 1ntr s ILE 5 Cb 0.00 -1.41 0.05 0.00 0.01 0.00 0.00 42.46 41.11 1ntr s ILE 5 CO 0.00 0.46 -0.06 -0.69 0.00 0.00 0.00 174.94 174.65 1ntr s VAL 6 N 0.35 1.38 -0.92 2.92 1.01 -1.04 -2.27 120.40 121.84 1ntr s VAL 6 Ca -0.13 -0.94 -0.12 0.00 0.00 0.00 0.00 61.98 60.79 1ntr s VAL 6 Cb -0.16 -1.57 0.24 0.00 0.00 0.00 0.00 36.38 34.89 1ntr s VAL 6 CO 0.05 0.05 0.88 0.26 0.00 0.00 0.00 175.10 176.35 1ntr s TRP 7 N 1.49 3.93 0.54 5.22 0.52 -1.02 -2.12 118.94 127.50 1ntr s TRP 7 Ca -0.02 -2.21 -0.08 0.00 0.02 0.00 0.00 56.10 53.80 1ntr s TRP 7 Cb -0.17 -3.83 -0.04 0.00 -1.15 0.00 0.00 33.47 28.28 1ntr s TRP 7 CO -0.07 -0.98 0.89 0.08 0.02 0.00 0.00 176.95 176.89 1ntr s VAL 8 N -0.28 4.82 -0.25 4.03 1.01 -0.30 -2.53 120.40 126.91 1ntr s VAL 8 Ca 0.22 0.51 -0.15 0.00 0.00 0.00 0.00 61.98 62.56 1ntr s VAL 8 Cb -0.10 -3.86 -0.04 0.00 0.00 0.00 0.00 36.38 32.38 1ntr s VAL 8 CO -0.09 -0.97 0.39 -0.69 0.00 0.00 0.00 175.10 173.74 1ntr s VAL 9 N -2.92 5.18 0.00 2.92 1.01 -0.32 -1.70 120.40 124.57 1ntr s VAL 9 Ca 0.51 0.63 0.00 0.00 0.00 0.00 0.00 61.98 63.12 1ntr s VAL 9 Cb -0.11 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.56 1ntr s VAL 9 CO 0.48 0.18 0.00 0.47 0.00 0.00 0.00 175.10 176.24 1ntr n ASP 10 N 5.06 0.91 -0.10 3.32 9.92 -0.73 -2.10 116.55 132.82 1ntr n ASP 10 Ca -0.08 -1.00 -0.14 0.00 -0.53 0.00 0.00 54.79 53.04 1ntr n ASP 10 Cb 0.51 0.00 -0.05 0.00 -0.64 0.00 0.00 41.12 40.94 1ntr n ASP 10 CO 0.00 0.00 0.00 -0.67 0.13 0.00 0.00 177.20 176.66 1ntr n ASP 11 N -2.09 1.90 -4.24 -2.24 -0.08 -1.26 -4.18 116.55 104.36 1ntr n ASP 11 Ca 0.00 0.32 -0.22 0.00 -1.51 0.00 0.00 54.79 53.38 1ntr n ASP 11 Cb 0.00 -0.74 -0.09 0.00 2.34 0.00 0.00 41.12 42.63 1ntr n ASP 11 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1ntr s ASP 12 N -6.34 2.26 0.23 1.67 2.15 -1.26 -4.52 116.67 110.86 1ntr s ASP 12 Ca -0.30 -1.52 -0.07 0.00 0.43 0.00 0.00 52.55 51.08 1ntr s ASP 12 Cb 0.07 0.25 0.25 0.00 -0.30 0.00 0.00 42.92 43.19 1ntr s ASP 12 CO 0.43 -0.79 1.88 0.77 -0.17 0.00 0.00 175.17 177.28 1ntr h SER 13 N 2.04 0.90 -0.52 -0.34 4.64 -1.97 -0.17 113.55 118.13 1ntr h SER 13 Ca -0.37 -0.01 0.15 0.00 -0.47 0.00 0.00 61.79 61.09 1ntr h SER 13 Cb 1.26 -0.20 -0.02 0.00 -0.31 0.00 0.00 62.40 63.12 1ntr h SER 13 CO 0.61 0.62 0.42 0.77 -0.87 0.00 0.00 176.83 178.38 1ntr h SER 14 N 1.06 0.00 -0.28 4.97 4.64 -2.00 0.30 113.55 122.24 1ntr h SER 14 Ca 0.34 0.00 -0.18 0.00 -0.47 0.00 0.00 61.79 61.47 1ntr h SER 14 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.10 1ntr h SER 14 CO -0.11 0.00 -0.54 0.40 -0.87 0.00 0.00 176.83 175.71 1ntr h ILE 15 N 0.00 1.28 -0.29 0.95 1.08 -1.42 -2.52 117.51 116.58 1ntr h ILE 15 Ca 0.25 -1.72 0.05 0.00 -0.39 0.00 0.00 64.86 63.04 1ntr h ILE 15 Cb 1.09 1.66 -0.05 0.00 -3.07 0.00 0.00 36.82 36.45 1ntr h ILE 15 CO -0.00 0.56 -0.02 -0.09 -0.69 0.00 0.00 178.15 177.90 1ntr h ARG 16 N 0.63 0.05 0.51 2.37 2.43 -0.29 -2.55 114.38 117.54 1ntr h ARG 16 Ca 0.01 -0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.16 1ntr h ARG 16 Cb 1.15 -0.01 -0.02 0.00 -0.42 0.00 0.00 29.97 30.67 1ntr h ARG 16 CO 0.12 0.04 -0.50 2.35 -1.51 0.00 0.00 179.97 180.47 1ntr h TRP 17 N 0.06 -1.38 0.00 2.20 7.01 -1.37 -1.93 115.95 120.54 1ntr h TRP 17 Ca 0.14 0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.15 1ntr h TRP 17 Cb 0.20 0.53 0.00 0.00 -2.10 0.00 0.00 29.16 27.79 1ntr h TRP 17 CO -0.24 -0.67 0.00 0.28 -2.79 0.00 0.00 178.44 175.02 1ntr n VAL 18 N -5.57 0.00 0.00 2.65 0.31 -0.96 -0.51 118.33 114.26 1ntr n VAL 18 Ca -0.12 1.21 0.00 0.00 -0.01 0.00 0.00 64.34 65.41 1ntr n VAL 18 Cb 0.46 -1.61 0.00 0.00 -0.91 0.00 0.00 33.84 31.78 1ntr n VAL 18 CO 0.00 0.00 0.00 -0.11 -1.32 0.00 0.00 176.83 175.40 1ntr n LEU 19 N -2.77 0.00 -0.53 7.52 7.94 -1.08 -2.00 117.00 126.07 1ntr n LEU 19 Ca 0.00 0.87 0.40 0.00 -1.11 0.00 0.00 56.01 56.17 1ntr n LEU 19 Cb 0.00 -0.37 0.62 0.00 0.53 0.00 0.00 43.42 44.20 1ntr n LEU 19 CO 0.00 -0.37 1.12 1.21 -1.11 0.00 0.00 177.39 178.23 1ntr n GLU 20 N -1.81 -0.00 0.17 1.96 0.00 -0.73 0.12 120.64 120.34 1ntr n GLU 20 Ca 0.00 0.81 -0.12 0.00 0.00 0.00 0.00 57.16 57.85 1ntr n GLU 20 Cb 0.00 -1.88 -0.07 0.00 0.00 0.00 0.00 31.44 29.49 1ntr n GLU 20 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.13 177.04 1ntr h ARG 21 N 0.00 -0.45 0.00 5.31 1.12 -0.16 0.50 114.38 120.69 1ntr h ARG 21 Ca 0.71 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.61 1ntr h ARG 21 Cb 2.84 0.10 0.00 0.00 -0.01 0.00 0.00 29.97 32.90 1ntr h ARG 21 CO -0.01 -0.13 0.00 0.00 -3.11 0.00 0.00 179.97 176.72 1ntr n ALA 22 N -2.55 2.02 0.71 2.80 0.00 0.31 -1.98 120.51 121.82 1ntr n ALA 22 Ca -0.09 -0.09 0.10 0.00 0.00 0.00 0.00 53.44 53.36 1ntr n ALA 22 Cb 0.27 -1.30 -0.13 0.00 0.00 0.00 0.00 19.45 18.29 1ntr n ALA 22 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 23 N -1.24 0.72 -0.07 0.00 7.99 0.11 -4.13 117.00 120.38 1ntr n LEU 23 Ca 0.10 -0.36 -0.14 0.00 -0.01 0.00 0.00 56.01 55.59 1ntr n LEU 23 Cb 0.13 0.00 -0.06 0.00 -0.11 0.00 0.00 43.42 43.38 1ntr n LEU 23 CO 0.13 0.18 0.52 0.00 -1.51 0.00 0.00 177.39 176.71 1ntr h ALA 24 N 2.69 0.32 -0.47 -1.18 0.00 -0.26 -2.11 119.26 118.26 1ntr h ALA 24 Ca 0.00 -0.42 -0.01 0.00 0.00 0.00 0.00 54.91 54.48 1ntr h ALA 24 Cb 0.63 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 18.34 1ntr h ALA 24 CO 0.00 0.36 0.26 0.78 0.00 0.00 0.00 179.25 180.65 1ntr h GLY 25 N 0.28 0.70 1.61 0.00 0.00 -1.75 -1.09 103.07 102.83 1ntr h GLY 25 Ca 0.02 -0.32 0.04 0.00 0.00 0.00 0.00 47.33 47.07 1ntr h GLY 25 CO 0.07 0.31 0.17 0.00 0.00 0.00 0.00 176.54 177.09 1ntr h ALA 26 N 1.11 2.03 -1.45 3.60 0.00 -1.70 -3.45 119.26 119.40 1ntr h ALA 26 Ca 0.17 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1ntr h ALA 26 Cb 0.05 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ntr h ALA 26 CO -0.03 -0.08 0.00 0.41 0.00 0.00 0.00 179.25 179.55 1ntr n GLY 27 N -1.54 0.49 3.51 0.00 0.00 -0.41 -3.85 105.19 103.39 1ntr n GLY 27 Ca 0.02 -0.37 -0.26 0.00 0.00 0.00 0.00 46.02 45.42 1ntr n GLY 27 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ntr s LEU 28 N -1.45 1.99 -1.13 0.99 1.02 -1.10 -4.36 118.68 114.65 1ntr s LEU 28 Ca 0.00 -1.68 -0.09 0.00 0.02 0.00 0.00 54.13 52.38 1ntr s LEU 28 Cb 0.00 -0.09 0.26 0.00 0.02 0.00 0.00 46.19 46.38 1ntr s LEU 28 CO 0.00 -0.94 1.27 0.41 0.02 0.00 0.00 176.35 177.11 1ntr n THR 29 N -0.91 4.65 -2.37 5.49 -1.04 -0.87 -4.78 114.28 114.46 1ntr n THR 29 Ca -0.06 -5.34 -0.36 0.00 -2.04 0.00 0.00 64.05 56.26 1ntr n THR 29 Cb 0.65 -2.47 -0.04 0.00 -1.82 0.00 0.00 70.33 66.65 1ntr n THR 29 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ntr s THR 31 N 6.91 5.30 0.29 0.00 2.01 -0.90 -4.50 115.64 124.75 1ntr s THR 31 Ca 0.56 0.15 0.11 0.00 0.31 0.00 0.00 61.69 62.83 1ntr s THR 31 Cb -0.02 -3.44 -0.05 0.00 0.01 0.00 0.00 72.50 69.00 1ntr s THR 31 CO -0.04 0.39 -0.15 0.42 -0.69 0.00 0.00 174.62 174.55 1ntr s THR 32 N 0.76 2.55 -0.24 -0.82 -4.23 -1.26 -1.14 115.64 111.26 1ntr s THR 32 Ca 0.07 -2.30 -0.02 0.00 -1.18 0.00 0.00 61.69 58.25 1ntr s THR 32 Cb -0.13 -2.44 0.08 0.00 1.34 0.00 0.00 72.50 71.35 1ntr s THR 32 CO 0.02 -0.36 0.06 -0.36 -0.54 0.00 0.00 174.62 173.45 1ntr s PHE 33 N -2.51 1.15 0.54 3.99 0.40 -0.69 -4.87 117.98 116.00 1ntr s PHE 33 Ca 0.31 -1.13 0.45 0.00 -0.60 0.00 0.00 56.93 55.95 1ntr s PHE 33 Cb -0.04 -1.22 1.65 0.00 0.51 0.00 0.00 43.02 43.93 1ntr s PHE 33 CO 0.16 -0.72 1.62 0.93 0.70 0.00 0.00 175.22 177.92 1ntr h GLU 34 N 8.22 0.01 -5.17 0.44 3.07 -1.79 -1.95 114.58 117.41 1ntr h GLU 34 Ca -0.16 -0.00 -0.64 0.00 -0.50 0.00 0.00 59.36 58.06 1ntr h GLU 34 Cb 1.07 -0.00 -0.21 0.00 -0.84 0.00 0.00 28.75 28.77 1ntr h GLU 34 CO 0.39 0.01 -0.63 -0.80 -1.40 0.00 0.00 179.01 176.58 1ntr s ASN 35 N -4.22 5.09 0.02 1.42 -0.87 -1.26 -4.14 114.94 110.97 1ntr s ASN 35 Ca -0.05 -0.11 -0.27 0.00 -1.57 0.00 0.00 52.86 50.85 1ntr s ASN 35 Cb 0.27 -1.87 -0.16 0.00 -0.02 0.00 0.00 41.25 39.46 1ntr s ASN 35 CO 0.87 0.10 1.25 1.23 -2.57 0.00 0.00 177.10 177.97 1ntr h GLY 36 N 7.27 -0.78 0.05 0.66 0.00 -1.82 -2.80 103.07 105.65 1ntr h GLY 36 Ca -0.35 0.29 0.00 0.00 0.00 0.00 0.00 47.33 47.27 1ntr h GLY 36 CO 0.63 -0.28 -0.19 -0.57 0.00 0.00 0.00 176.54 176.13 1ntr h ASN 37 N -1.00 -0.56 -0.68 0.19 -0.73 -1.95 -2.35 115.58 108.51 1ntr h ASN 37 Ca -0.08 0.06 0.11 0.00 1.87 0.00 0.00 56.30 58.26 1ntr h ASN 37 Cb 0.64 0.20 -0.11 0.00 0.27 0.00 0.00 38.32 39.32 1ntr h ASN 37 CO 0.13 -0.20 -0.24 1.21 -0.37 0.00 0.00 177.43 177.95 1ntr n GLU 38 N -3.50 -0.14 0.14 6.67 2.13 -1.24 0.45 120.64 125.15 1ntr n GLU 38 Ca -0.03 1.04 -0.13 0.00 0.66 0.00 0.00 57.16 58.70 1ntr n GLU 38 Cb 0.15 -1.55 -0.07 0.00 0.27 0.00 0.00 31.44 30.24 1ntr n GLU 38 CO 0.00 0.00 0.00 -0.24 -0.41 0.00 0.00 177.13 176.48 1ntr h VAL 39 N 0.00 0.65 0.00 6.31 3.04 -1.17 0.12 116.25 125.21 1ntr h VAL 39 Ca 0.26 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 65.95 1ntr h VAL 39 Cb 0.43 0.65 0.00 0.00 -2.01 0.00 0.00 31.29 30.36 1ntr h VAL 39 CO -0.68 0.00 0.00 0.18 -1.01 0.00 0.00 177.57 176.06 1ntr n LEU 40 N -5.28 0.58 0.08 3.16 4.32 0.17 -0.07 117.00 119.96 1ntr n LEU 40 Ca -0.08 0.74 -0.18 0.00 -0.02 0.00 0.00 56.01 56.47 1ntr n LEU 40 Cb 0.20 -0.77 -0.10 0.00 -1.62 0.00 0.00 43.42 41.13 1ntr n LEU 40 CO 0.31 -0.86 0.04 0.00 -1.22 0.00 0.00 177.39 175.67 1ntr h ALA 41 N 2.06 0.16 -0.09 -1.18 0.00 0.21 -3.16 119.26 117.26 1ntr h ALA 41 Ca 0.00 -0.76 0.00 0.00 0.00 0.00 0.00 54.91 54.15 1ntr h ALA 41 Cb 0.09 0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.92 1ntr h ALA 41 CO 0.00 0.78 0.00 0.00 0.00 0.00 0.00 179.25 180.03 1ntr n ALA 42 N -2.60 2.48 1.17 0.00 0.00 -0.16 -3.96 120.51 117.44 1ntr n ALA 42 Ca -0.10 -0.68 0.13 0.00 0.00 0.00 0.00 53.44 52.78 1ntr n ALA 42 Cb 0.92 -0.91 0.31 0.00 0.00 0.00 0.00 19.45 19.78 1ntr n ALA 42 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ntr n LEU 43 N 1.08 0.98 0.01 0.00 -0.00 0.90 -3.85 117.00 116.12 1ntr n LEU 43 Ca 0.16 -0.25 0.06 0.00 -0.00 0.00 0.00 56.01 55.98 1ntr n LEU 43 Cb 0.54 -0.14 0.26 0.00 -0.00 0.00 0.00 43.42 44.08 1ntr n LEU 43 CO 0.15 0.19 0.69 0.00 -0.00 0.00 0.00 177.39 178.43 1ntr n ALA 44 N -0.81 1.52 1.01 1.96 0.00 -1.23 -1.45 120.51 121.51 1ntr n ALA 44 Ca 0.10 -0.03 0.12 0.00 0.00 0.00 0.00 53.44 53.64 1ntr n ALA 44 Cb 0.35 -1.20 0.22 0.00 0.00 0.00 0.00 19.45 18.82 1ntr n ALA 44 CO 0.00 0.00 0.00 0.43 0.00 0.00 0.00 177.50 177.93 1ntr n SER 45 N -1.56 2.70 -2.39 0.00 7.64 -1.25 -4.88 113.62 113.88 1ntr n SER 45 Ca 0.03 -1.88 -0.00 0.00 1.01 0.00 0.00 58.87 58.02 1ntr n SER 45 Cb 0.14 -0.05 -0.00 0.00 -1.01 0.00 0.00 64.21 63.29 1ntr n SER 45 CO 0.00 0.00 0.00 0.29 -3.01 0.00 0.00 175.04 172.32 1ntr n LYS 46 N 1.08 -2.62 0.00 1.43 5.02 -0.53 -5.03 118.16 117.51 1ntr n LYS 46 Ca 0.16 2.21 0.00 0.00 -2.02 0.00 0.00 58.31 58.66 1ntr n LYS 46 Cb 0.54 -4.24 0.00 0.00 -0.02 0.00 0.00 35.03 31.31 1ntr n LYS 46 CO 0.00 0.00 0.00 2.41 -0.52 0.00 0.00 177.40 179.29 1ntr n THR 47 N 0.54 0.00 -0.21 -0.18 -1.04 -1.26 -5.02 114.28 107.10 1ntr n THR 47 Ca -0.01 0.35 0.00 0.00 -2.04 0.00 0.00 64.05 62.35 1ntr n THR 47 Cb 0.01 -1.34 0.00 0.00 -1.82 0.00 0.00 70.33 67.18 1ntr n THR 47 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 1ntr n PRO 48 N -2.18 0.61 -0.00 -2.82 -0.04 -1.26 -4.99 135.00 124.32 1ntr n PRO 48 Ca 0.00 0.00 0.05 0.00 -0.04 0.00 0.00 63.50 63.51 1ntr n PRO 48 Cb 0.00 0.00 -0.07 0.00 -0.04 0.00 0.00 33.50 33.39 1ntr n PRO 48 CO 0.00 0.00 0.00 -0.40 -0.04 0.00 0.00 175.50 175.06 1ntr n ASP 49 N -0.82 1.57 -3.73 3.54 5.68 -1.03 -4.95 116.55 116.81 1ntr n ASP 49 Ca 0.00 -0.37 -0.13 0.00 -0.50 0.00 0.00 54.79 53.79 1ntr n ASP 49 Cb 0.00 1.23 -0.14 0.00 -1.14 0.00 0.00 41.12 41.07 1ntr n ASP 49 CO 0.00 0.00 0.00 -0.69 -1.33 0.00 0.00 177.20 175.18 1ntr s VAL 50 N -2.30 -0.07 0.21 2.12 1.01 -0.96 -4.41 120.40 115.99 1ntr s VAL 50 Ca 0.00 0.18 0.04 0.00 0.00 0.00 0.00 61.98 62.20 1ntr s VAL 50 Cb 0.07 -0.31 -0.03 0.00 0.00 0.00 0.00 36.38 36.11 1ntr s VAL 50 CO 0.41 0.07 0.32 -0.76 0.00 0.00 0.00 175.10 175.15 1ntr s LEU 51 N 1.32 4.29 0.06 3.92 2.01 -1.09 -2.43 118.68 126.77 1ntr s LEU 51 Ca -0.08 0.08 -0.09 0.00 0.01 0.00 0.00 54.13 54.05 1ntr s LEU 51 Cb -0.11 -2.84 0.00 0.00 0.01 0.00 0.00 46.19 43.25 1ntr s LEU 51 CO -0.07 -0.03 0.19 -0.76 1.01 0.00 0.00 176.35 176.69 1ntr s LEU 52 N -3.74 1.39 -0.07 1.79 1.43 -1.05 -1.26 118.68 117.17 1ntr s LEU 52 Ca 0.34 -0.49 -0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1ntr s LEU 52 Cb -0.10 1.00 0.02 0.00 0.03 0.00 0.00 46.19 47.14 1ntr s LEU 52 CO 0.29 -0.63 -0.03 -0.55 0.23 0.00 0.00 176.35 175.65 1ntr s SER 53 N -2.43 1.44 0.06 2.29 0.15 -0.88 -1.18 113.70 113.14 1ntr s SER 53 Ca -0.01 -0.14 -0.26 0.00 0.70 0.00 0.00 55.95 56.25 1ntr s SER 53 Cb 0.02 -0.51 -0.17 0.00 -1.71 0.00 0.00 66.02 63.65 1ntr s SER 53 CO -0.07 -0.12 1.57 0.44 1.20 0.00 0.00 173.24 176.26 1ntr h ASP 54 N 7.84 -0.20 0.00 5.45 3.32 -1.74 -1.75 116.42 129.34 1ntr h ASP 54 Ca -0.28 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.67 1ntr h ASP 54 Cb 1.14 0.05 0.00 0.00 0.22 0.00 0.00 39.33 40.74 1ntr h ASP 54 CO 0.37 -0.03 0.00 0.00 -1.72 0.00 0.00 179.24 177.86 1ntr n ILE 55 N -5.13 0.00 0.00 0.35 0.13 -1.26 -4.38 119.36 109.06 1ntr n ILE 55 Ca -0.09 0.00 0.00 0.00 -1.10 0.00 0.00 62.75 61.56 1ntr n ILE 55 Cb 0.16 -0.40 0.00 0.00 -0.84 0.00 0.00 39.64 38.56 1ntr n ILE 55 CO 0.00 0.00 0.00 -2.11 2.80 0.00 0.00 176.55 177.24 1ntr n ARG 56 N -1.63 2.61 -0.96 9.51 1.85 -1.26 -4.78 116.66 122.00 1ntr n ARG 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 57.85 56.85 1ntr n ARG 56 Cb 0.26 0.00 0.00 0.00 -1.05 0.00 0.00 32.46 31.67 1ntr n ARG 56 CO 0.00 0.00 0.00 -0.12 -0.01 0.00 0.00 177.63 177.50 1ntr n MET 57 N 0.00 -2.59 -2.42 2.89 1.56 -1.26 -4.50 117.12 110.79 1ntr n MET 57 Ca 0.00 1.89 -0.24 0.00 -0.27 0.00 0.00 57.70 59.08 1ntr n MET 57 Cb 0.00 -2.05 0.08 0.00 2.15 0.00 0.00 33.22 33.40 1ntr n MET 57 CO 0.00 0.00 0.00 -1.25 -0.73 0.00 0.00 175.97 173.99 1ntr s PRO 58 N -2.95 1.97 0.00 2.12 0.04 -1.26 -4.44 135.00 130.48 1ntr s PRO 58 Ca 0.00 -0.70 0.00 0.00 0.04 0.00 0.00 61.00 60.34 1ntr s PRO 58 Cb 0.00 -2.28 0.00 0.00 0.04 0.00 0.00 34.50 32.26 1ntr s PRO 58 CO 0.00 -1.28 0.00 0.41 0.04 0.00 0.00 177.00 176.17 1ntr n GLY 59 N -2.81 2.08 1.67 0.56 0.00 -1.26 -4.62 105.19 100.81 1ntr n GLY 59 Ca 0.11 -0.52 -0.13 0.00 0.00 0.00 0.00 46.02 45.48 1ntr n GLY 59 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 1ntr n MET 60 N 0.00 1.76 0.00 1.61 2.81 -1.26 -4.95 117.12 117.09 1ntr n MET 60 Ca 0.00 -1.69 0.00 0.00 -1.81 0.00 0.00 57.70 54.20 1ntr n MET 60 Cb 0.00 -1.67 0.00 0.00 -0.71 0.00 0.00 33.22 30.84 1ntr n MET 60 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 1ntr n ASP 61 N -0.39 0.00 -3.47 7.83 2.03 -1.26 -2.97 116.55 118.31 1ntr n ASP 61 Ca 0.33 0.00 -0.28 0.00 0.52 0.00 0.00 54.79 55.36 1ntr n ASP 61 Cb 1.15 0.00 -0.11 0.00 -0.72 0.00 0.00 41.12 41.44 1ntr n ASP 61 CO 0.00 0.00 0.00 -0.83 -1.92 0.00 0.00 177.20 174.45 1ntr s GLY 62 N 0.00 1.23 0.04 0.27 0.00 -1.26 -4.74 107.32 102.86 1ntr s GLY 62 Ca 0.00 -2.36 -0.29 0.00 0.00 0.00 0.00 44.72 42.06 1ntr s GLY 62 CO 0.00 2.01 0.74 1.04 0.00 0.00 0.00 173.10 176.89 1ntr n LEU 63 N 3.21 -0.27 0.00 0.66 4.32 -1.16 -4.22 117.00 119.54 1ntr n LEU 63 Ca 0.22 0.92 0.00 0.00 -0.02 0.00 0.00 56.01 57.13 1ntr n LEU 63 Cb 0.43 -0.74 0.00 0.00 -1.62 0.00 0.00 43.42 41.49 1ntr n LEU 63 CO 0.12 -1.74 0.24 0.00 -1.22 0.00 0.00 177.39 174.79 1ntr n ALA 64 N 0.88 0.00 0.00 -1.18 0.00 -1.26 -4.75 120.51 114.20 1ntr n ALA 64 Ca 0.15 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.59 1ntr n ALA 64 Cb 0.10 0.12 0.00 0.00 0.00 0.00 0.00 19.45 19.67 1ntr n ALA 64 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 65 N -0.74 0.00 0.03 0.00 4.32 -1.26 -4.68 117.00 114.68 1ntr n LEU 65 Ca 0.00 0.00 -0.02 0.00 -0.02 0.00 0.00 56.01 55.97 1ntr n LEU 65 Cb 0.00 0.00 -0.01 0.00 -1.62 0.00 0.00 43.42 41.79 1ntr n LEU 65 CO 0.00 0.00 0.08 0.25 -1.22 0.00 0.00 177.39 176.50 1ntr h LEU 66 N 0.00 -0.14 -0.99 2.23 5.85 -1.91 -1.80 115.31 118.55 1ntr h LEU 66 Ca 0.00 0.00 0.20 0.00 0.84 0.00 0.00 57.88 58.92 1ntr h LEU 66 Cb 0.00 0.04 -0.11 0.00 0.37 0.00 0.00 40.66 40.96 1ntr h LEU 66 CO 0.00 0.24 0.59 0.11 -0.34 0.00 0.00 178.44 179.04 1ntr h LYS 67 N -0.83 0.69 0.52 1.25 1.79 -1.83 -0.19 116.57 117.96 1ntr h LYS 67 Ca -0.02 -0.04 -0.02 0.00 -2.18 0.00 0.00 60.65 58.39 1ntr h LYS 67 Cb 0.12 -0.16 -0.01 0.00 -1.58 0.00 0.00 32.23 30.61 1ntr h LYS 67 CO 0.03 0.46 -0.35 0.37 -1.08 0.00 0.00 179.45 178.88 1ntr h GLN 68 N 0.71 -0.80 -0.80 3.15 5.75 -1.91 -2.56 115.11 118.65 1ntr h GLN 68 Ca 0.58 0.05 0.13 0.00 -0.15 0.00 0.00 58.65 59.26 1ntr h GLN 68 Cb 0.94 0.18 -0.13 0.00 1.07 0.00 0.00 27.48 29.54 1ntr h GLN 68 CO -0.40 -0.53 -0.30 -0.89 -2.65 0.00 0.00 178.83 174.06 1ntr n ILE 69 N -5.48 -0.41 0.38 2.39 5.41 -0.10 -0.68 119.36 120.87 1ntr n ILE 69 Ca -0.12 1.86 -0.15 0.00 1.00 0.00 0.00 62.75 65.35 1ntr n ILE 69 Cb 0.37 -2.47 -0.07 0.00 -0.71 0.00 0.00 39.64 36.76 1ntr n ILE 69 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 176.55 176.66 1ntr h LYS 70 N 0.00 -0.92 -1.09 0.38 1.57 -1.35 2.59 116.57 117.74 1ntr h LYS 70 Ca 0.29 0.06 0.36 0.00 -1.87 0.00 0.00 60.65 59.49 1ntr h LYS 70 Cb 0.49 0.21 -0.09 0.00 0.08 0.00 0.00 32.23 32.92 1ntr h LYS 70 CO -0.79 -0.61 0.73 1.04 -0.57 0.00 0.00 179.45 179.24 1ntr n GLN 71 N -4.58 -0.02 0.01 3.15 6.02 0.14 -3.44 117.38 118.67 1ntr n GLN 71 Ca -0.12 0.85 0.00 0.00 -0.01 0.00 0.00 57.00 57.72 1ntr n GLN 71 Cb 0.38 -1.75 0.00 0.00 1.02 0.00 0.00 30.24 29.89 1ntr n GLN 71 CO 0.00 0.00 0.00 0.54 -1.01 0.00 0.00 177.06 176.59 1ntr n ARG 72 N -3.89 0.00 -1.00 -1.09 3.00 -0.87 -5.07 116.66 107.76 1ntr n ARG 72 Ca 0.29 0.00 -0.36 0.00 -0.01 0.00 0.00 57.85 57.77 1ntr n ARG 72 Cb 1.20 -0.07 0.04 0.00 0.00 0.00 0.00 32.46 33.62 1ntr n ARG 72 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.63 179.21 1ntr n HIS 73 N -2.66 -5.01 0.00 -1.55 -0.00 0.87 -4.71 115.22 102.16 1ntr n HIS 73 Ca 0.00 0.00 0.00 0.00 0.46 0.00 0.00 57.72 58.18 1ntr n HIS 73 Cb 0.00 -1.43 0.00 0.00 -0.12 0.00 0.00 29.99 28.44 1ntr n HIS 73 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1ntr n PRO 74 N 2.48 0.00 0.00 1.57 -0.04 -1.26 -4.47 135.00 133.28 1ntr n PRO 74 Ca -0.02 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.44 1ntr n PRO 74 Cb 0.57 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.03 1ntr n PRO 74 CO 0.00 0.00 0.00 -1.33 -0.04 0.00 0.00 175.50 174.13 1ntr n MET 75 N 0.00 0.00 -1.84 0.54 2.81 -1.26 -4.86 117.12 112.52 1ntr n MET 75 Ca 0.00 -0.07 -0.41 0.00 -1.81 0.00 0.00 57.70 55.40 1ntr n MET 75 Cb 0.00 -0.31 -0.02 0.00 -0.71 0.00 0.00 33.22 32.18 1ntr n MET 75 CO 0.00 0.00 0.00 -0.48 1.51 0.00 0.00 175.97 177.00 1ntr s LEU 76 N 0.00 4.36 0.16 4.03 0.05 -1.26 -4.54 118.68 121.48 1ntr s LEU 76 Ca 0.00 2.87 -0.10 0.00 0.05 0.00 0.00 54.13 56.95 1ntr s LEU 76 Cb 0.00 -3.63 -0.07 0.00 -2.05 0.00 0.00 46.19 40.44 1ntr s LEU 76 CO 0.00 -0.86 0.08 -0.81 -0.55 0.00 0.00 176.35 174.21 1ntr n PRO 77 N 2.29 0.00 -3.38 1.48 -0.04 -1.26 -4.66 135.00 129.43 1ntr n PRO 77 Ca 0.08 0.00 -0.17 0.00 -0.04 0.00 0.00 63.50 63.37 1ntr n PRO 77 Cb 0.38 -0.45 -0.09 0.00 -0.04 0.00 0.00 33.50 33.31 1ntr n PRO 77 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1ntr s VAL 78 N -0.69 -0.36 0.19 0.52 1.01 -0.95 -2.66 120.40 117.46 1ntr s VAL 78 Ca 0.27 -0.73 -0.30 0.00 0.00 0.00 0.00 61.98 61.22 1ntr s VAL 78 Cb -0.31 -0.86 -0.08 0.00 0.00 0.00 0.00 36.38 35.13 1ntr s VAL 78 CO 0.27 -0.53 1.09 -0.63 0.00 0.00 0.00 175.10 175.31 1ntr s ILE 79 N 1.94 3.84 -0.18 2.22 1.01 -0.39 -4.64 121.20 125.01 1ntr s ILE 79 Ca 0.13 1.62 0.00 0.00 0.00 0.00 0.00 60.65 62.40 1ntr s ILE 79 Cb -0.15 -4.04 0.04 0.00 0.01 0.00 0.00 42.46 38.33 1ntr s ILE 79 CO -0.20 0.29 -0.08 0.27 0.00 0.00 0.00 174.94 175.23 1ntr s ILE 80 N -0.36 1.36 0.13 2.92 -4.36 -1.24 -2.08 121.20 117.57 1ntr s ILE 80 Ca 0.48 -0.79 -0.31 0.00 -0.26 0.00 0.00 60.65 59.77 1ntr s ILE 80 Cb -0.29 -1.48 -0.09 0.00 1.25 0.00 0.00 42.46 41.85 1ntr s ILE 80 CO 0.35 0.16 1.48 -0.04 0.24 0.00 0.00 174.94 177.13 1ntr s MET 81 N 1.52 4.27 0.00 0.37 -1.94 -0.66 -2.57 119.30 120.30 1ntr s MET 81 Ca 0.00 2.20 0.00 0.00 -1.71 0.00 0.00 55.69 56.18 1ntr s MET 81 Cb -0.16 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.44 1ntr s MET 81 CO -0.08 -0.53 0.00 2.41 -0.01 0.00 0.00 175.02 176.81 1ntr n THR 82 N 4.03 0.00 -1.37 2.05 -1.04 -0.88 -4.50 114.28 112.58 1ntr n THR 82 Ca 0.13 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.14 1ntr n THR 82 Cb 0.41 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.92 1ntr n THR 82 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ntr n ALA 83 N 0.35 -2.30 -0.97 2.41 0.00 -1.26 -4.78 120.51 113.96 1ntr n ALA 83 Ca 0.00 0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.79 1ntr n ALA 83 Cb 0.00 -1.20 0.00 0.00 0.00 0.00 0.00 19.45 18.25 1ntr n ALA 83 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.50 178.22 1ntr n HIS 84 N 0.27 -0.00 -4.31 0.00 8.25 -1.26 -4.90 115.22 113.26 1ntr n HIS 84 Ca 0.00 0.00 -0.38 0.00 -0.26 0.00 0.00 57.72 57.08 1ntr n HIS 84 Cb 0.00 0.00 -0.04 0.00 1.12 0.00 0.00 29.99 31.07 1ntr n HIS 84 CO 0.00 0.00 0.00 0.45 0.64 0.00 0.00 176.34 177.43 1ntr n SER 85 N -0.56 -2.55 -0.98 0.41 2.88 -1.26 -1.76 113.62 109.80 1ntr n SER 85 Ca 0.00 -1.09 0.00 0.00 -1.33 0.00 0.00 58.87 56.45 1ntr n SER 85 Cb 0.00 -2.39 0.00 0.00 -0.75 0.00 0.00 64.21 61.07 1ntr n SER 85 CO 0.00 0.00 0.00 -0.67 -1.23 0.00 0.00 175.04 173.14 1ntr n ASP 86 N -2.63 -5.90 -0.48 -3.46 2.03 -1.26 -3.47 116.55 101.38 1ntr n ASP 86 Ca 0.05 0.72 0.39 0.00 0.52 0.00 0.00 54.79 56.47 1ntr n ASP 86 Cb 0.50 -2.25 0.60 0.00 -0.72 0.00 0.00 41.12 39.25 1ntr n ASP 86 CO 0.00 0.00 0.00 0.18 -1.92 0.00 0.00 177.20 175.46 1ntr n LEU 87 N -0.11 0.00 -0.22 -2.67 7.99 -1.24 -0.96 117.00 119.80 1ntr n LEU 87 Ca 0.00 0.77 -0.06 0.00 -0.01 0.00 0.00 56.01 56.71 1ntr n LEU 87 Cb 0.00 -0.36 -0.05 0.00 -0.11 0.00 0.00 43.42 42.90 1ntr n LEU 87 CO 0.00 -0.77 0.39 -0.67 -1.51 0.00 0.00 177.39 174.83 1ntr n ASP 88 N -3.40 -0.54 0.07 -1.43 -0.08 -1.26 0.24 116.55 110.15 1ntr n ASP 88 Ca 0.32 1.19 -0.12 0.00 -1.51 0.00 0.00 54.79 54.68 1ntr n ASP 88 Cb 1.57 -0.26 -0.13 0.00 2.34 0.00 0.00 41.12 44.64 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1ntr h ALA 89 N -0.03 0.27 0.23 -1.67 0.00 -1.08 -3.37 119.26 113.62 1ntr h ALA 89 Ca 0.08 -0.96 -0.01 0.00 0.00 0.00 0.00 54.91 54.02 1ntr h ALA 89 Cb 0.21 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.00 1ntr h ALA 89 CO -0.48 1.16 -0.11 0.00 0.00 0.00 0.00 179.25 179.82 1ntr h ALA 90 N 0.79 -0.90 0.00 0.00 0.00 0.09 -3.26 119.26 115.97 1ntr h ALA 90 Ca -0.10 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1ntr h ALA 90 Cb 1.89 0.12 0.00 0.00 0.00 0.00 0.00 17.79 19.80 1ntr h ALA 90 CO 0.16 -0.88 0.00 1.55 0.00 0.00 0.00 179.25 180.08 1ntr n VAL 91 N -2.97 0.00 0.00 0.00 3.14 0.67 -3.96 118.33 115.20 1ntr n VAL 91 Ca -0.04 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.34 1ntr n VAL 91 Cb 0.12 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 32.90 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 1ntr n SER 92 N -2.95 0.00 0.00 6.55 2.88 -1.23 -4.28 113.62 114.59 1ntr n SER 92 Ca 0.00 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.54 1ntr n SER 92 Cb 0.00 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 1ntr n SER 92 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 1ntr n ALA 93 N -3.00 0.00 1.88 -1.46 0.00 -1.25 -4.11 120.51 112.56 1ntr n ALA 93 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 53.44 53.50 1ntr n ALA 93 Cb 0.00 0.00 0.38 0.00 0.00 0.00 0.00 19.45 19.83 1ntr n ALA 93 CO 0.00 0.00 0.00 2.48 0.00 0.00 0.00 177.50 179.98 1ntr n TYR 94 N 0.00 0.00 0.16 0.00 0.18 -1.26 -2.35 117.16 113.88 1ntr n TYR 94 Ca 0.00 0.00 0.02 0.00 1.88 0.00 0.00 57.90 59.80 1ntr n TYR 94 Cb 0.00 0.00 0.19 0.00 -0.38 0.00 0.00 39.34 39.15 1ntr n TYR 94 CO 0.00 0.00 0.00 0.37 -2.08 0.00 0.00 176.86 175.15 1ntr h GLN 95 N 0.00 0.00 0.00 -3.48 4.15 -1.77 -3.43 115.11 110.58 1ntr h GLN 95 Ca 0.00 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.42 1ntr h GLN 95 Cb 0.00 0.00 0.00 0.00 0.21 0.00 0.00 27.48 27.69 1ntr h GLN 95 CO 0.00 0.51 0.00 1.04 -1.93 0.00 0.00 178.83 178.45 1ntr n GLN 96 N -3.49 0.00 0.00 1.69 6.02 -1.21 -5.17 117.38 115.22 1ntr n GLN 96 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1ntr n GLN 96 Cb 0.62 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.88 1ntr n GLN 96 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1ntr n GLY 97 N 0.00 4.33 2.21 1.08 0.00 -0.99 -5.05 105.19 106.77 1ntr n GLY 97 Ca 0.00 -1.76 -0.23 0.00 0.00 0.00 0.00 46.02 44.03 1ntr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntr n ALA 98 N -3.00 2.43 0.00 4.61 0.00 -1.26 -5.02 120.51 118.27 1ntr n ALA 98 Ca 0.00 -3.48 0.00 0.00 0.00 0.00 0.00 53.44 49.96 1ntr n ALA 98 Cb 0.00 -0.84 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1ntr n ALA 98 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1ntr n PHE 99 N 1.11 0.00 -3.80 0.00 -1.74 -1.26 -2.24 117.46 109.53 1ntr n PHE 99 Ca 0.22 0.00 -0.08 0.00 -0.56 0.00 0.00 57.45 57.03 1ntr n PHE 99 Cb 0.55 0.00 -0.01 0.00 1.52 0.00 0.00 39.48 41.54 1ntr n PHE 99 CO 0.00 0.00 0.00 -3.47 -0.56 0.00 0.00 176.76 172.73 1ntr n ASP 100 N 1.40 -0.95 -4.71 5.98 2.03 -1.26 -4.72 116.55 114.31 1ntr n ASP 100 Ca 0.00 -2.15 -0.41 0.00 0.52 0.00 0.00 54.79 52.75 1ntr n ASP 100 Cb 0.00 1.73 -0.03 0.00 -0.72 0.00 0.00 41.12 42.09 1ntr n ASP 100 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 1ntr s TYR 101 N -3.91 3.65 -0.25 -0.67 1.51 -1.26 -3.60 117.35 112.82 1ntr s TYR 101 Ca 0.17 1.59 -0.02 0.00 -1.01 0.00 0.00 57.07 57.79 1ntr s TYR 101 Cb -0.01 -3.03 0.02 0.00 -0.11 0.00 0.00 41.96 38.83 1ntr s TYR 101 CO 0.12 0.03 -0.06 -1.17 -1.11 0.00 0.00 175.55 173.36 1ntr s LEU 102 N 0.91 3.15 0.43 -1.29 2.96 -1.06 -4.88 118.68 118.90 1ntr s LEU 102 Ca 0.48 -0.80 0.06 0.00 -0.22 0.00 0.00 54.13 53.66 1ntr s LEU 102 Cb -0.20 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 44.75 1ntr s LEU 102 CO 0.26 -0.11 0.10 -2.16 -1.32 0.00 0.00 176.35 173.11 1ntr s PRO 103 N 1.35 2.11 0.82 0.98 0.04 -1.26 -2.06 135.00 136.97 1ntr s PRO 103 Ca 0.01 -2.03 -0.12 0.00 0.04 0.00 0.00 61.00 58.90 1ntr s PRO 103 Cb -0.16 -1.79 0.09 0.00 0.04 0.00 0.00 34.50 32.68 1ntr s PRO 103 CO -0.04 -0.13 1.16 0.15 0.04 0.00 0.00 177.00 178.17 1ntr s LYS 104 N -3.83 1.65 0.66 4.56 1.02 -1.26 -4.44 119.74 118.10 1ntr s LYS 104 Ca 0.34 1.55 -0.11 0.00 0.02 0.00 0.00 55.97 57.77 1ntr s LYS 104 Cb 0.06 -1.80 -0.01 0.00 -0.52 0.00 0.00 37.83 35.56 1ntr s LYS 104 CO 0.18 -2.16 1.06 -1.25 -0.92 0.00 0.00 175.35 172.26 1ntr s PRO 105 N -4.44 3.22 -0.06 -1.68 0.04 -1.26 -5.18 135.00 125.63 1ntr s PRO 105 Ca 0.68 0.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.38 1ntr s PRO 105 Cb -0.24 -2.04 0.04 0.00 0.04 0.00 0.00 34.50 32.30 1ntr s PRO 105 CO 0.53 -0.83 0.14 -0.59 0.04 0.00 0.00 177.00 176.29 1ntr s PHE 106 N -3.21 -0.15 0.00 0.56 -0.12 -1.26 -5.15 117.98 108.65 1ntr s PHE 106 Ca 0.57 0.46 0.00 0.00 -0.05 0.00 0.00 56.93 57.91 1ntr s PHE 106 Cb -0.12 -0.11 0.00 0.00 -0.63 0.00 0.00 43.02 42.17 1ntr s PHE 106 CO 0.54 -0.17 0.00 -3.47 -0.05 0.00 0.00 175.22 172.07 1ntr n ASP 107 N 4.27 0.00 0.00 1.98 2.03 -1.26 -5.04 116.55 118.53 1ntr n ASP 107 Ca -0.26 0.00 -0.00 0.00 0.52 0.00 0.00 54.79 55.05 1ntr n ASP 107 Cb 0.51 0.00 -0.00 0.00 -0.72 0.00 0.00 41.12 40.91 1ntr n ASP 107 CO 0.00 0.00 0.00 -0.38 -1.92 0.00 0.00 177.20 174.90 1ntr n ILE 108 N 0.00 0.05 -0.23 5.18 5.41 -1.26 -4.48 119.36 124.03 1ntr n ILE 108 Ca 0.00 0.04 -0.07 0.00 1.00 0.00 0.00 62.75 63.72 1ntr n ILE 108 Cb 0.00 -1.04 0.04 0.00 -0.71 0.00 0.00 39.64 37.92 1ntr n ILE 108 CO 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 176.55 175.77 1ntr h ASP 109 N -0.00 0.83 -0.82 4.38 1.82 -1.97 0.72 116.42 121.37 1ntr h ASP 109 Ca 0.00 -0.12 0.20 0.00 -0.39 0.00 0.00 57.03 56.72 1ntr h ASP 109 Cb 0.00 -0.21 -0.13 0.00 0.68 0.00 0.00 39.33 39.67 1ntr h ASP 109 CO 0.00 0.71 0.15 -0.08 -1.61 0.00 0.00 179.24 178.42 1ntr h GLU 110 N 0.88 0.18 0.00 0.28 4.22 -1.98 0.35 114.58 118.51 1ntr h GLU 110 Ca 0.22 -0.01 0.00 0.00 0.08 0.00 0.00 59.36 59.65 1ntr h GLU 110 Cb 0.10 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.31 1ntr h GLU 110 CO -0.03 0.12 0.00 0.00 -2.18 0.00 0.00 179.01 176.92 1ntr n ALA 111 N -2.78 -0.07 -0.18 2.92 0.00 -0.37 -2.32 120.51 117.72 1ntr n ALA 111 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1ntr n ALA 111 Cb 0.59 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.04 1ntr n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 112 N -0.94 0.00 -0.17 0.00 0.31 0.10 -1.67 118.33 115.96 1ntr n VAL 112 Ca 0.00 1.29 -0.04 0.00 -0.01 0.00 0.00 64.34 65.58 1ntr n VAL 112 Cb 0.00 -1.75 -0.04 0.00 -0.91 0.00 0.00 33.84 31.14 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ntr n ALA 113 N -2.54 -0.26 -0.26 3.52 0.00 0.12 0.32 120.51 121.40 1ntr n ALA 113 Ca 0.00 0.34 0.06 0.00 0.00 0.00 0.00 53.44 53.84 1ntr n ALA 113 Cb 0.00 0.18 0.12 0.00 0.00 0.00 0.00 19.45 19.75 1ntr n ALA 113 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1ntr n LEU 114 N -3.90 -0.23 0.32 0.00 7.94 -0.67 0.17 117.00 120.62 1ntr n LEU 114 Ca 0.01 1.27 -0.17 0.00 -1.11 0.00 0.00 56.01 56.01 1ntr n LEU 114 Cb 0.11 -0.40 -0.09 0.00 0.53 0.00 0.00 43.42 43.57 1ntr n LEU 114 CO -0.06 -1.23 0.67 0.58 -1.11 0.00 0.00 177.39 176.23 1ntr h VAL 115 N 0.00 0.43 -0.74 1.96 2.07 0.40 -2.44 116.25 117.93 1ntr h VAL 115 Ca 0.37 -0.04 0.22 0.00 0.82 0.00 0.00 66.70 68.07 1ntr h VAL 115 Cb 0.61 0.44 -0.14 0.00 -1.52 0.00 0.00 31.29 30.68 1ntr h VAL 115 CO -0.75 0.01 0.06 1.21 0.02 0.00 0.00 177.57 178.12 1ntr n GLU 116 N -5.42 -0.06 0.02 1.57 2.13 0.44 0.77 120.64 120.10 1ntr n GLU 116 Ca -0.13 1.10 -0.12 0.00 0.66 0.00 0.00 57.16 58.67 1ntr n GLU 116 Cb 0.32 -1.78 -0.09 0.00 0.27 0.00 0.00 31.44 30.16 1ntr n GLU 116 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ntr h ARG 117 N 0.00 -0.11 -0.07 5.31 3.08 -1.15 -3.09 114.38 118.36 1ntr h ARG 117 Ca 0.47 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.54 1ntr h ARG 117 Cb 1.02 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 31.08 1ntr h ARG 117 CO -0.68 0.37 -0.13 0.00 -1.07 0.00 0.00 179.97 178.45 1ntr h ALA 118 N 0.18 -0.48 -0.81 0.04 0.00 0.83 0.38 119.26 119.39 1ntr h ALA 118 Ca -0.01 -0.01 0.27 0.00 0.00 0.00 0.00 54.91 55.17 1ntr h ALA 118 Cb 0.53 0.74 -0.15 0.00 0.00 0.00 0.00 17.79 18.91 1ntr h ALA 118 CO 0.02 -0.54 0.20 -0.89 0.00 0.00 0.00 179.25 178.04 1ntr n ILE 119 N -3.31 -0.34 -0.03 0.00 5.41 -0.36 0.40 119.36 121.11 1ntr n ILE 119 Ca -0.01 1.73 -0.13 0.00 1.00 0.00 0.00 62.75 65.34 1ntr n ILE 119 Cb 0.09 -2.65 -0.07 0.00 -0.71 0.00 0.00 39.64 36.30 1ntr n ILE 119 CO 0.00 0.00 0.00 -1.28 0.00 0.00 0.00 176.55 175.27 1ntr h SER 120 N 0.00 -1.51 -0.98 4.38 0.87 -0.83 0.14 113.55 115.62 1ntr h SER 120 Ca 0.58 0.20 0.34 0.00 -1.23 0.00 0.00 61.79 61.67 1ntr h SER 120 Cb 1.37 0.61 -0.16 0.00 -0.44 0.00 0.00 62.40 63.78 1ntr h SER 120 CO -0.71 -0.44 0.46 -0.74 -0.53 0.00 0.00 176.83 174.87 1ntr h HIS 121 N -0.49 0.71 -0.96 2.24 -0.00 0.07 0.45 115.15 117.17 1ntr h HIS 121 Ca 0.07 0.04 -0.47 0.00 -0.00 0.00 0.00 60.37 60.02 1ntr h HIS 121 Cb 0.64 -0.15 -0.17 0.00 -0.00 0.00 0.00 27.41 27.73 1ntr h HIS 121 CO -0.56 -0.31 0.32 0.98 -0.00 0.00 0.00 177.93 178.36 1ntr n TYR 122 N -5.19 1.46 -2.21 5.26 4.19 0.49 -4.00 117.16 117.15 1ntr n TYR 122 Ca 0.32 -1.90 -0.02 0.00 3.31 0.00 0.00 57.90 59.61 1ntr n TYR 122 Cb 1.02 -1.39 -0.02 0.00 0.49 0.00 0.00 39.34 39.44 1ntr n TYR 122 CO 0.00 0.00 0.00 0.94 0.91 0.00 0.00 176.86 178.71 1ntr n GLN 123 N 1.00 0.00 0.00 2.98 7.27 0.16 -5.00 117.38 123.79 1ntr n GLN 123 Ca 0.48 -1.35 0.07 0.00 0.07 0.00 0.00 57.00 56.26 1ntr n GLN 123 Cb 0.58 0.20 0.06 0.00 2.41 0.00 0.00 30.24 33.48 1ntr n GLN 123 CO 0.00 0.00 0.00 0.39 0.07 0.00 0.00 177.06 177.52