#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 4.26 -0.30 0.03 -2.07 -1.26 -4.91 119.66 115.41 1ntr s GLN 2 Ca 0.00 2.32 -0.03 0.00 -1.82 0.00 0.00 55.36 55.83 1ntr s GLN 2 Cb 0.00 -3.09 0.28 0.00 -1.09 0.00 0.00 33.01 29.11 1ntr s GLN 2 CO 0.00 -0.42 1.31 -2.13 -1.32 0.00 0.00 175.29 172.73 1ntr n ARG 3 N 2.11 0.01 -3.32 9.60 0.63 -1.26 -5.10 116.66 119.33 1ntr n ARG 3 Ca 0.06 -0.52 -0.11 0.00 -0.92 0.00 0.00 57.85 56.35 1ntr n ARG 3 Cb 0.40 -0.02 -0.06 0.00 0.45 0.00 0.00 32.46 33.23 1ntr n ARG 3 CO 0.00 0.00 0.00 0.20 -2.51 0.00 0.00 177.63 175.32 1ntr s GLY 4 N -0.03 -0.41 -0.94 5.14 0.00 -1.26 -4.80 107.32 105.02 1ntr s GLY 4 Ca 0.25 -0.47 -0.16 0.00 0.00 0.00 0.00 44.72 44.33 1ntr s GLY 4 CO -0.07 3.00 1.06 -0.42 0.00 0.00 0.00 173.10 176.67 1ntr s ILE 5 N 1.76 5.07 -0.30 0.90 1.01 -1.26 -2.10 121.20 126.28 1ntr s ILE 5 Ca 0.15 -2.03 -0.13 0.00 0.00 0.00 0.00 60.65 58.64 1ntr s ILE 5 Cb -0.12 -4.70 -0.03 0.00 0.01 0.00 0.00 42.46 37.61 1ntr s ILE 5 CO -0.10 -1.37 0.28 0.54 0.00 0.00 0.00 174.94 174.28 1ntr s VAL 6 N 1.67 5.25 -0.87 2.92 0.11 -0.68 -2.16 120.40 126.65 1ntr s VAL 6 Ca 0.30 0.16 -0.11 0.00 -2.93 0.00 0.00 61.98 59.40 1ntr s VAL 6 Cb -0.06 -3.66 0.23 0.00 -1.53 0.00 0.00 36.38 31.35 1ntr s VAL 6 CO -0.08 0.11 0.80 0.26 -3.33 0.00 0.00 175.10 172.86 1ntr s TRP 7 N 1.88 3.83 0.60 1.54 0.52 -0.89 -1.26 118.94 125.15 1ntr s TRP 7 Ca 0.10 -2.25 -0.14 0.00 0.02 0.00 0.00 56.10 53.82 1ntr s TRP 7 Cb -0.16 -3.73 -0.04 0.00 -1.15 0.00 0.00 33.47 28.39 1ntr s TRP 7 CO 0.11 -0.96 1.04 0.08 0.02 0.00 0.00 176.95 177.24 1ntr s VAL 8 N -0.21 4.07 -0.23 4.03 1.01 0.65 -1.73 120.40 127.98 1ntr s VAL 8 Ca 0.21 0.89 0.01 0.00 0.00 0.00 0.00 61.98 63.09 1ntr s VAL 8 Cb -0.11 -3.49 0.04 0.00 0.00 0.00 0.00 36.38 32.82 1ntr s VAL 8 CO -0.08 -0.67 -0.12 -0.69 0.00 0.00 0.00 175.10 173.54 1ntr s VAL 9 N -2.67 2.34 -0.01 2.92 1.01 0.55 -2.57 120.40 121.97 1ntr s VAL 9 Ca 0.61 -1.24 -0.30 0.00 0.00 0.00 0.00 61.98 61.05 1ntr s VAL 9 Cb -0.14 -2.20 0.11 0.00 0.00 0.00 0.00 36.38 34.16 1ntr s VAL 9 CO 0.41 0.22 1.29 -0.62 0.00 0.00 0.00 175.10 176.39 1ntr s ASP 10 N 1.23 -0.04 0.00 3.32 -1.08 -0.88 -2.67 116.67 116.56 1ntr s ASP 10 Ca -0.02 -0.16 0.00 0.00 -0.52 0.00 0.00 52.55 51.85 1ntr s ASP 10 Cb -0.17 0.16 0.00 0.00 -1.46 0.00 0.00 42.92 41.45 1ntr s ASP 10 CO -0.07 -0.31 0.00 -0.67 0.52 0.00 0.00 175.17 174.64 1ntr n ASP 11 N -0.67 0.00 -3.97 -0.34 2.03 -1.26 -3.35 116.55 108.99 1ntr n ASP 11 Ca -0.05 0.00 -0.29 0.00 0.52 0.00 0.00 54.79 54.97 1ntr n ASP 11 Cb 0.62 0.04 -0.05 0.00 -0.72 0.00 0.00 41.12 41.01 1ntr n ASP 11 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 1ntr n ASP 12 N -1.54 -0.48 -2.55 1.67 2.03 -1.26 -1.12 116.55 113.30 1ntr n ASP 12 Ca 0.00 -1.03 0.00 0.00 0.52 0.00 0.00 54.79 54.28 1ntr n ASP 12 Cb 0.00 -1.26 0.00 0.00 -0.72 0.00 0.00 41.12 39.14 1ntr n ASP 12 CO 0.00 0.00 0.00 -1.54 -1.92 0.00 0.00 177.20 173.74 1ntr n SER 13 N -2.01 -6.08 -0.62 1.67 3.41 -1.26 -4.28 113.62 104.45 1ntr n SER 13 Ca -0.21 0.82 0.00 0.00 -0.26 0.00 0.00 58.87 59.22 1ntr n SER 13 Cb 0.52 -1.30 0.00 0.00 -0.26 0.00 0.00 64.21 63.17 1ntr n SER 13 CO 0.00 0.00 0.00 -0.24 -0.16 0.00 0.00 175.04 174.64 1ntr n SER 14 N 2.28 -1.66 0.11 4.04 2.88 -1.20 -4.99 113.62 115.08 1ntr n SER 14 Ca 0.00 0.00 -0.21 0.00 -1.33 0.00 0.00 58.87 57.33 1ntr n SER 14 Cb 0.00 -0.42 -0.15 0.00 -0.75 0.00 0.00 64.21 62.89 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -1.23 0.00 0.00 175.04 174.21 1ntr h ILE 15 N 0.00 1.26 -0.11 2.46 1.08 -1.30 -2.32 117.51 118.57 1ntr h ILE 15 Ca 0.00 -2.77 -0.08 0.00 -0.39 0.00 0.00 64.86 61.62 1ntr h ILE 15 Cb 0.83 2.94 -0.01 0.00 -3.07 0.00 0.00 36.82 37.51 1ntr h ILE 15 CO 0.00 0.84 -0.29 0.03 -0.69 0.00 0.00 178.15 178.04 1ntr h ARG 16 N 0.11 0.20 0.06 2.37 3.08 -1.87 -2.79 114.38 115.55 1ntr h ARG 16 Ca -0.24 -0.07 -0.00 0.00 0.07 0.00 0.00 59.98 59.74 1ntr h ARG 16 Cb 2.09 -0.01 0.00 0.00 0.08 0.00 0.00 29.97 32.13 1ntr h ARG 16 CO 0.23 0.48 -0.03 2.35 -1.07 0.00 0.00 179.97 181.93 1ntr h TRP 17 N 0.18 -0.08 -0.56 3.04 2.91 -1.94 0.15 115.95 119.66 1ntr h TRP 17 Ca 0.03 -0.00 0.05 0.00 1.13 0.00 0.00 58.89 60.10 1ntr h TRP 17 Cb 0.61 0.03 -0.07 0.00 -0.51 0.00 0.00 29.16 29.22 1ntr h TRP 17 CO 0.01 -0.05 -0.35 0.28 -1.03 0.00 0.00 178.44 177.30 1ntr h VAL 18 N -0.09 0.00 0.00 2.65 2.07 -1.36 -1.00 116.25 118.52 1ntr h VAL 18 Ca -0.01 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.51 1ntr h VAL 18 Cb 0.06 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 29.83 1ntr h VAL 18 CO 0.01 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.78 1ntr n LEU 19 N -4.32 0.08 -0.37 2.57 4.77 -1.06 -2.72 117.00 115.95 1ntr n LEU 19 Ca 0.01 0.82 0.30 0.00 -0.03 0.00 0.00 56.01 57.11 1ntr n LEU 19 Cb 0.16 -0.37 0.50 0.00 -2.33 0.00 0.00 43.42 41.37 1ntr n LEU 19 CO -0.09 -0.37 0.89 1.21 -1.33 0.00 0.00 177.39 177.71 1ntr n GLU 20 N -1.61 -0.02 0.18 3.23 2.13 0.54 0.15 120.64 125.23 1ntr n GLU 20 Ca 0.00 0.85 -0.13 0.00 0.66 0.00 0.00 57.16 58.53 1ntr n GLU 20 Cb 0.00 -1.73 -0.08 0.00 0.27 0.00 0.00 31.44 29.91 1ntr n GLU 20 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1ntr h ARG 21 N 0.00 -0.45 0.00 5.31 2.47 -1.07 0.20 114.38 120.84 1ntr h ARG 21 Ca 0.62 0.03 0.00 0.00 -1.26 0.00 0.00 59.98 59.37 1ntr h ARG 21 Cb 2.13 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 30.56 1ntr h ARG 21 CO -0.25 -0.14 0.00 0.00 0.56 0.00 0.00 179.97 180.14 1ntr n ALA 22 N -2.51 2.04 0.24 0.04 0.00 0.39 -2.00 120.51 118.70 1ntr n ALA 22 Ca -0.10 -0.09 0.09 0.00 0.00 0.00 0.00 53.44 53.34 1ntr n ALA 22 Cb 0.27 -1.28 -0.13 0.00 0.00 0.00 0.00 19.45 18.31 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 -1.16 0.25 -0.05 0.00 7.99 0.62 -4.13 117.00 120.51 1ntr n LEU 23 Ca 0.10 -0.14 -0.16 0.00 -0.01 0.00 0.00 56.01 55.80 1ntr n LEU 23 Cb 0.10 0.00 -0.13 0.00 -0.11 0.00 0.00 43.42 43.28 1ntr n LEU 23 CO 0.12 0.06 0.23 0.00 -1.51 0.00 0.00 177.39 176.29 1ntr h ALA 24 N 1.98 0.02 -0.01 -1.18 0.00 0.02 -1.85 119.26 118.22 1ntr h ALA 24 Ca 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 54.91 54.30 1ntr h ALA 24 Cb 0.74 0.10 -0.00 0.00 0.00 0.00 0.00 17.79 18.63 1ntr h ALA 24 CO 0.00 0.15 0.07 0.78 0.00 0.00 0.00 179.25 180.24 1ntr h GLY 25 N -0.88 0.00 1.13 0.00 0.00 -1.76 0.60 103.07 102.16 1ntr h GLY 25 Ca -0.06 0.00 -0.29 0.00 0.00 0.00 0.00 47.33 46.98 1ntr h GLY 25 CO 0.00 0.00 -1.61 0.00 0.00 0.00 0.00 176.54 174.93 1ntr h ALA 26 N 1.88 0.65 -1.86 3.60 0.00 -1.71 -3.49 119.26 118.33 1ntr h ALA 26 Ca 0.01 -1.35 0.00 0.00 0.00 0.00 0.00 54.91 53.56 1ntr h ALA 26 Cb 0.14 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1ntr h ALA 26 CO -0.00 1.49 0.00 0.41 0.00 0.00 0.00 179.25 181.15 1ntr n GLY 27 N 1.56 0.62 3.40 0.00 0.00 0.20 -4.98 105.19 105.99 1ntr n GLY 27 Ca -0.15 -0.46 -0.16 0.00 0.00 0.00 0.00 46.02 45.25 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 -1.63 1.24 -0.75 0.99 1.43 -0.95 -4.49 118.68 114.53 1ntr s LEU 28 Ca 0.00 -1.54 -0.15 0.00 -1.03 0.00 0.00 54.13 51.40 1ntr s LEU 28 Cb 0.00 1.07 0.18 0.00 0.03 0.00 0.00 46.19 47.47 1ntr s LEU 28 CO 0.00 -1.17 0.72 -0.89 0.23 0.00 0.00 176.35 175.24 1ntr s THR 29 N -3.33 5.40 -1.22 5.49 2.01 -0.89 -4.78 115.64 118.31 1ntr s THR 29 Ca 0.34 -2.06 -0.13 0.00 0.31 0.00 0.00 61.69 60.15 1ntr s THR 29 Cb 0.01 -4.46 0.17 0.00 0.01 0.00 0.00 72.50 68.23 1ntr s THR 29 CO 0.21 -1.03 1.49 0.00 -0.69 0.00 0.00 174.62 174.61 1ntr s THR 31 N 1.51 4.32 -0.01 0.00 2.01 -0.39 -4.70 115.64 118.37 1ntr s THR 31 Ca 0.43 1.64 0.03 0.00 0.31 0.00 0.00 61.69 64.10 1ntr s THR 31 Cb -0.01 -4.06 -0.00 0.00 0.01 0.00 0.00 72.50 68.44 1ntr s THR 31 CO 0.00 0.03 -0.10 0.42 -0.69 0.00 0.00 174.62 174.28 1ntr s THR 32 N 1.93 0.81 -0.03 -0.82 -4.23 -1.26 -0.26 115.64 111.79 1ntr s THR 32 Ca 0.55 -0.42 0.04 0.00 -1.18 0.00 0.00 61.69 60.69 1ntr s THR 32 Cb -0.24 -0.70 -0.01 0.00 1.34 0.00 0.00 72.50 72.89 1ntr s THR 32 CO 0.23 0.24 -0.16 -0.36 -0.54 0.00 0.00 174.62 174.03 1ntr s PHE 33 N -0.08 1.48 0.21 3.99 0.08 -1.06 -4.90 117.98 117.69 1ntr s PHE 33 Ca 0.01 -0.35 0.16 0.00 0.12 0.00 0.00 56.93 56.87 1ntr s PHE 33 Cb -0.06 -0.98 0.57 0.00 -0.57 0.00 0.00 43.02 41.98 1ntr s PHE 33 CO -0.00 -0.09 1.69 0.93 -0.10 0.00 0.00 175.22 177.65 1ntr h GLU 34 N 6.04 0.00 -5.63 0.44 5.08 -1.91 -2.33 114.58 116.27 1ntr h GLU 34 Ca -0.34 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.36 1ntr h GLU 34 Cb 1.16 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.19 1ntr h GLU 34 CO 0.48 0.46 -0.71 -0.80 -1.00 0.00 0.00 179.01 177.44 1ntr s ASN 35 N -6.59 4.51 0.04 1.42 0.01 -1.26 -4.52 114.94 108.55 1ntr s ASN 35 Ca -0.00 -0.15 -0.19 0.00 -0.71 0.00 0.00 52.86 51.81 1ntr s ASN 35 Cb 0.12 -1.49 -0.10 0.00 0.41 0.00 0.00 41.25 40.19 1ntr s ASN 35 CO 0.71 0.24 1.30 1.23 -1.51 0.00 0.00 177.10 179.07 1ntr h GLY 36 N 6.16 -0.93 0.00 0.66 0.00 -1.97 -2.64 103.07 104.35 1ntr h GLY 36 Ca -0.36 0.41 0.00 0.00 0.00 0.00 0.00 47.33 47.37 1ntr h GLY 36 CO 0.57 -0.31 0.00 1.16 0.00 0.00 0.00 176.54 177.96 1ntr n ASN 37 N -3.98 0.00 -0.19 0.19 0.23 -1.26 0.21 115.26 110.46 1ntr n ASN 37 Ca -0.07 0.78 0.12 0.00 -0.53 0.00 0.00 54.58 54.88 1ntr n ASN 37 Cb 0.26 -0.30 0.23 0.00 -2.08 0.00 0.00 39.78 37.89 1ntr n ASN 37 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 1ntr n GLU 38 N -2.21 -0.04 0.23 -3.83 -0.58 -1.22 0.13 120.64 113.12 1ntr n GLU 38 Ca 0.00 0.81 -0.15 0.00 -0.42 0.00 0.00 57.16 57.40 1ntr n GLU 38 Cb 0.00 -1.36 -0.08 0.00 -0.57 0.00 0.00 31.44 29.43 1ntr n GLU 38 CO 0.00 0.00 0.00 0.28 -0.48 0.00 0.00 177.13 176.93 1ntr h VAL 39 N 0.00 0.00 0.00 2.62 2.07 0.15 0.16 116.25 121.25 1ntr h VAL 39 Ca 0.40 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.92 1ntr h VAL 39 Cb 0.94 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.71 1ntr h VAL 39 CO -0.49 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.28 1ntr n LEU 40 N -4.96 0.32 0.08 2.57 7.99 0.34 -0.72 117.00 122.61 1ntr n LEU 40 Ca -0.10 0.62 -0.13 0.00 -0.01 0.00 0.00 56.01 56.39 1ntr n LEU 40 Cb 0.38 -0.64 -0.07 0.00 -0.11 0.00 0.00 43.42 42.99 1ntr n LEU 40 CO 0.21 -0.64 0.12 0.00 -1.51 0.00 0.00 177.39 175.57 1ntr h ALA 41 N 2.11 0.31 -0.03 -1.18 0.00 0.14 -2.82 119.26 117.78 1ntr h ALA 41 Ca 0.00 -0.77 -0.19 0.00 0.00 0.00 0.00 54.91 53.95 1ntr h ALA 41 Cb 0.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 17.86 1ntr h ALA 41 CO 0.00 0.88 -0.81 0.00 0.00 0.00 0.00 179.25 179.32 1ntr h ALA 42 N 0.73 0.55 0.00 0.00 0.00 0.69 -2.48 119.26 118.75 1ntr h ALA 42 Ca -0.09 -0.66 0.00 0.00 0.00 0.00 0.00 54.91 54.16 1ntr h ALA 42 Cb 1.69 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 19.42 1ntr h ALA 42 CO 0.17 0.82 0.00 1.28 0.00 0.00 0.00 179.25 181.52 1ntr n LEU 43 N -3.76 0.00 0.00 0.00 4.77 -0.84 -4.46 117.00 112.71 1ntr n LEU 43 Ca -0.04 0.43 0.00 0.00 -0.03 0.00 0.00 56.01 56.37 1ntr n LEU 43 Cb 0.76 -0.43 0.00 0.00 -2.33 0.00 0.00 43.42 41.42 1ntr n LEU 43 CO 0.48 -0.24 0.00 0.00 -1.33 0.00 0.00 177.39 176.30 1ntr n ALA 44 N -1.43 0.00 0.20 -1.18 0.00 -0.93 0.32 120.51 117.49 1ntr n ALA 44 Ca 0.04 0.00 -0.09 0.00 0.00 0.00 0.00 53.44 53.39 1ntr n ALA 44 Cb 0.14 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 19.55 1ntr n ALA 44 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1ntr h SER 45 N 0.00 -0.49 -1.51 0.00 0.87 -1.88 -3.44 113.55 107.10 1ntr h SER 45 Ca 0.00 0.02 0.03 0.00 -1.23 0.00 0.00 61.79 60.61 1ntr h SER 45 Cb 0.00 0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.08 1ntr h SER 45 CO 0.00 -0.11 0.17 0.29 -0.53 0.00 0.00 176.83 176.66 1ntr n LYS 46 N -4.88 0.33 -3.92 2.24 4.76 0.96 -4.74 118.16 112.91 1ntr n LYS 46 Ca -0.07 -0.69 -0.31 0.00 -2.87 0.00 0.00 58.31 54.37 1ntr n LYS 46 Cb 0.23 0.90 -0.04 0.00 -1.84 0.00 0.00 35.03 34.27 1ntr n LYS 46 CO 0.00 0.00 0.00 0.99 -1.37 0.00 0.00 177.40 177.02 1ntr s THR 47 N -2.50 5.38 0.00 -0.18 2.01 -1.26 -4.38 115.64 114.72 1ntr s THR 47 Ca 0.08 -0.41 0.00 0.00 0.31 0.00 0.00 61.69 61.66 1ntr s THR 47 Cb -0.01 -3.64 0.00 0.00 0.01 0.00 0.00 72.50 68.86 1ntr s THR 47 CO 0.03 0.12 0.10 -0.81 -0.69 0.00 0.00 174.62 173.37 1ntr n PRO 48 N 0.22 0.00 0.00 4.92 -0.04 -1.26 -4.93 135.00 133.91 1ntr n PRO 48 Ca -0.05 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.41 1ntr n PRO 48 Cb 0.51 -0.56 0.00 0.00 -0.04 0.00 0.00 33.50 33.41 1ntr n PRO 48 CO 0.00 0.00 0.00 -0.25 -0.04 0.00 0.00 175.50 175.21 1ntr n ASP 49 N -0.45 0.00 -4.06 3.54 9.92 -0.92 -4.97 116.55 119.62 1ntr n ASP 49 Ca 0.00 0.00 -0.18 0.00 -0.53 0.00 0.00 54.79 54.08 1ntr n ASP 49 Cb 0.00 -0.19 -0.14 0.00 -0.64 0.00 0.00 41.12 40.16 1ntr n ASP 49 CO 0.00 0.00 0.00 -0.69 0.13 0.00 0.00 177.20 176.64 1ntr s VAL 50 N -0.39 0.77 -0.18 2.53 1.01 -0.92 -4.44 120.40 118.79 1ntr s VAL 50 Ca 0.00 -0.65 -0.09 0.00 0.00 0.00 0.00 61.98 61.24 1ntr s VAL 50 Cb 0.00 -0.69 -0.05 0.00 0.00 0.00 0.00 36.38 35.64 1ntr s VAL 50 CO 0.00 0.05 0.13 -0.22 0.00 0.00 0.00 175.10 175.06 1ntr s LEU 51 N -0.67 4.26 -0.04 3.92 0.20 -1.10 -2.11 118.68 123.13 1ntr s LEU 51 Ca 0.01 0.30 0.06 0.00 0.69 0.00 0.00 54.13 55.19 1ntr s LEU 51 Cb -0.06 -2.08 -0.02 0.00 -0.43 0.00 0.00 46.19 43.61 1ntr s LEU 51 CO 0.00 0.25 -0.23 -0.76 -0.29 0.00 0.00 176.35 175.32 1ntr s LEU 52 N -0.06 2.19 -0.06 -0.68 1.43 -0.71 -0.32 118.68 120.48 1ntr s LEU 52 Ca 0.10 -0.44 -0.02 0.00 -1.03 0.00 0.00 54.13 52.74 1ntr s LEU 52 Cb -0.11 -1.40 0.03 0.00 0.03 0.00 0.00 46.19 44.74 1ntr s LEU 52 CO -0.00 0.29 0.05 -0.55 0.23 0.00 0.00 176.35 176.37 1ntr s SER 53 N -0.43 1.34 0.25 2.29 0.15 -0.93 -0.33 113.70 116.06 1ntr s SER 53 Ca 0.04 -0.02 0.07 0.00 0.70 0.00 0.00 55.95 56.74 1ntr s SER 53 Cb -0.12 -0.20 -0.03 0.00 -1.71 0.00 0.00 66.02 63.96 1ntr s SER 53 CO 0.01 -0.25 0.23 1.51 1.20 0.00 0.00 173.24 175.95 1ntr s ASP 54 N 2.13 5.67 0.02 5.45 1.47 -1.09 -0.86 116.67 129.47 1ntr s ASP 54 Ca 0.05 -0.20 -0.22 0.00 1.18 0.00 0.00 52.55 53.36 1ntr s ASP 54 Cb -0.12 -1.47 -0.06 0.00 -0.34 0.00 0.00 42.92 40.93 1ntr s ASP 54 CO -0.04 -0.06 0.64 -0.51 0.68 0.00 0.00 175.17 175.88 1ntr s ILE 55 N -2.11 4.83 -0.13 2.11 -1.16 -1.26 -4.88 121.20 118.60 1ntr s ILE 55 Ca 0.34 1.36 0.14 0.00 -0.51 0.00 0.00 60.65 61.97 1ntr s ILE 55 Cb -0.08 -3.98 0.31 0.00 0.61 0.00 0.00 42.46 39.31 1ntr s ILE 55 CO 0.26 0.42 1.20 -2.11 -2.81 0.00 0.00 174.94 171.89 1ntr n ARG 56 N 2.63 0.67 -3.47 3.50 1.85 -1.26 -5.07 116.66 115.51 1ntr n ARG 56 Ca -0.06 -1.78 -0.13 0.00 -1.00 0.00 0.00 57.85 54.87 1ntr n ARG 56 Cb 0.51 -0.05 -0.11 0.00 -1.05 0.00 0.00 32.46 31.76 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.64 -0.01 0.00 0.00 177.63 175.98 1ntr s MET 57 N -0.70 0.26 -0.11 2.89 -1.94 -1.26 -5.08 119.30 113.35 1ntr s MET 57 Ca 0.16 0.48 -0.02 0.00 -1.71 0.00 0.00 55.69 54.60 1ntr s MET 57 Cb 0.27 -0.63 -0.03 0.00 2.01 0.00 0.00 34.83 36.45 1ntr s MET 57 CO -0.08 -0.57 -0.02 -1.25 -0.01 0.00 0.00 175.02 173.09 1ntr s PRO 58 N 2.45 3.17 0.00 2.03 0.04 -1.25 -3.71 135.00 137.73 1ntr s PRO 58 Ca 0.08 -0.46 0.00 0.00 0.04 0.00 0.00 61.00 60.66 1ntr s PRO 58 Cb -0.15 -2.81 0.00 0.00 0.04 0.00 0.00 34.50 31.58 1ntr s PRO 58 CO -0.13 0.55 0.00 0.41 0.04 0.00 0.00 177.00 177.87 1ntr n GLY 59 N 2.59 1.22 0.01 0.56 0.00 -1.26 -4.84 105.19 103.47 1ntr n GLY 59 Ca -0.18 -0.32 -0.01 0.00 0.00 0.00 0.00 46.02 45.51 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 2.72 -4.36 1.61 2.81 -1.26 -5.04 117.12 113.60 1ntr n MET 60 Ca 0.00 0.00 -0.27 0.00 -1.81 0.00 0.00 57.70 55.63 1ntr n MET 60 Cb 0.00 -1.05 -0.13 0.00 -0.71 0.00 0.00 33.22 31.33 1ntr n MET 60 CO 0.00 0.00 0.00 -0.51 1.51 0.00 0.00 175.97 176.97 1ntr s ASP 61 N -3.51 3.03 0.04 7.83 1.01 -1.26 -5.05 116.67 118.76 1ntr s ASP 61 Ca -0.02 -0.75 0.00 0.00 0.71 0.00 0.00 52.55 52.50 1ntr s ASP 61 Cb 0.01 -0.19 0.00 0.00 1.01 0.00 0.00 42.92 43.74 1ntr s ASP 61 CO 0.07 0.12 0.00 0.61 0.21 0.00 0.00 175.17 176.18 1ntr n GLY 62 N 0.86 -0.08 2.65 0.21 0.00 -1.24 -3.95 105.19 103.64 1ntr n GLY 62 Ca -0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.55 1ntr n GLY 62 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1ntr s LEU 63 N -5.42 2.00 -0.33 0.99 1.43 -1.26 -4.02 118.68 112.06 1ntr s LEU 63 Ca 0.00 -2.09 0.10 0.00 -1.03 0.00 0.00 54.13 51.11 1ntr s LEU 63 Cb 0.00 -0.79 0.46 0.00 0.03 0.00 0.00 46.19 45.89 1ntr s LEU 63 CO 0.00 -0.34 1.13 0.00 0.23 0.00 0.00 176.35 177.37 1ntr n ALA 64 N 4.22 4.50 -0.01 4.21 0.00 -1.26 -4.71 120.51 127.47 1ntr n ALA 64 Ca 0.05 -3.73 -0.01 0.00 0.00 0.00 0.00 53.44 49.75 1ntr n ALA 64 Cb 0.38 -0.53 -0.01 0.00 0.00 0.00 0.00 19.45 19.28 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 -0.56 0.00 0.01 0.00 4.77 -1.26 -4.57 117.00 115.39 1ntr n LEU 65 Ca 0.33 0.00 -0.13 0.00 -0.03 0.00 0.00 56.01 56.19 1ntr n LEU 65 Cb 0.84 0.04 -0.10 0.00 -2.33 0.00 0.00 43.42 41.87 1ntr n LEU 65 CO 0.32 0.04 0.60 0.25 -1.33 0.00 0.00 177.39 177.26 1ntr h LEU 66 N 0.00 -0.05 -1.48 2.23 6.46 -1.96 -2.53 115.31 117.98 1ntr h LEU 66 Ca -0.04 -0.45 0.38 0.00 -0.12 0.00 0.00 57.88 57.66 1ntr h LEU 66 Cb 0.99 0.01 -0.11 0.00 -0.73 0.00 0.00 40.66 40.82 1ntr h LEU 66 CO 0.00 0.43 0.83 0.50 -0.62 0.00 0.00 178.44 179.58 1ntr h LYS 67 N -0.56 0.16 0.67 1.25 3.64 -1.88 1.11 116.57 120.96 1ntr h LYS 67 Ca -0.01 -0.01 -0.03 0.00 -1.27 0.00 0.00 60.65 59.33 1ntr h LYS 67 Cb 0.50 -0.04 0.01 0.00 -0.41 0.00 0.00 32.23 32.29 1ntr h LYS 67 CO 0.01 0.11 -0.32 0.37 -2.27 0.00 0.00 179.45 177.34 1ntr h GLN 68 N 0.16 -0.87 -0.82 1.90 5.75 -1.70 -2.79 115.11 116.74 1ntr h GLN 68 Ca 0.74 0.06 0.13 0.00 -0.15 0.00 0.00 58.65 59.42 1ntr h GLN 68 Cb 2.29 0.20 -0.13 0.00 1.07 0.00 0.00 27.48 30.91 1ntr h GLN 68 CO -0.33 -0.57 -0.32 1.51 -2.65 0.00 0.00 178.83 176.47 1ntr n ILE 69 N -5.47 -0.43 0.08 2.39 0.13 0.38 -0.51 119.36 115.93 1ntr n ILE 69 Ca -0.14 1.92 -0.07 0.00 -1.10 0.00 0.00 62.75 63.37 1ntr n ILE 69 Cb 0.37 -2.54 -0.04 0.00 -0.84 0.00 0.00 39.64 36.59 1ntr n ILE 69 CO 0.00 0.00 0.00 0.11 2.80 0.00 0.00 176.55 179.46 1ntr h LYS 70 N 0.00 -0.33 -1.55 9.51 1.79 -1.29 0.57 116.57 125.28 1ntr h LYS 70 Ca 0.29 0.02 0.45 0.00 -2.18 0.00 0.00 60.65 59.23 1ntr h LYS 70 Cb 0.49 0.08 -0.06 0.00 -1.58 0.00 0.00 32.23 31.15 1ntr h LYS 70 CO -0.81 -0.22 1.18 0.94 -1.08 0.00 0.00 179.45 179.45 1ntr n GLN 71 N -3.56 0.00 0.00 3.15 7.27 0.34 -3.31 117.38 121.27 1ntr n GLN 71 Ca -0.04 0.90 0.00 0.00 0.07 0.00 0.00 57.00 57.93 1ntr n GLN 71 Cb 0.17 -2.11 0.00 0.00 2.41 0.00 0.00 30.24 30.71 1ntr n GLN 71 CO 0.00 0.00 0.00 0.54 0.07 0.00 0.00 177.06 177.67 1ntr n ARG 72 N -3.50 0.00 -3.69 3.69 5.12 0.13 -5.10 116.66 113.30 1ntr n ARG 72 Ca 0.35 0.00 -0.11 0.00 -1.93 0.00 0.00 57.85 56.16 1ntr n ARG 72 Cb 1.64 0.00 -0.10 0.00 -1.16 0.00 0.00 32.46 32.84 1ntr n ARG 72 CO 0.00 0.00 0.00 -3.38 -1.93 0.00 0.00 177.63 172.32 1ntr s HIS 73 N 0.00 -0.64 0.00 -1.55 -3.43 0.18 -5.06 115.29 104.79 1ntr s HIS 73 Ca 0.00 1.41 0.00 0.00 -0.80 0.00 0.00 55.06 55.67 1ntr s HIS 73 Cb 0.00 0.29 0.00 0.00 -1.43 0.00 0.00 32.58 31.44 1ntr s HIS 73 CO 0.00 -0.34 0.00 -0.35 -2.00 0.00 0.00 174.74 172.05 1ntr n PRO 74 N 3.73 0.00 -0.85 -0.38 -0.04 -1.26 -4.47 135.00 131.73 1ntr n PRO 74 Ca -0.19 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.27 1ntr n PRO 74 Cb 0.56 0.00 0.00 0.00 -0.04 0.00 0.00 33.50 34.02 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 -0.50 -4.12 0.54 2.81 -1.26 -4.32 117.12 110.27 1ntr n MET 75 Ca 0.00 0.12 -0.10 0.00 -1.81 0.00 0.00 57.70 55.91 1ntr n MET 75 Cb 0.00 -3.81 -0.09 0.00 -0.71 0.00 0.00 33.22 28.61 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 1.31 0.75 4.03 0.05 -1.26 -5.11 118.68 118.45 1ntr s LEU 76 Ca 0.00 -1.18 -0.14 0.00 0.05 0.00 0.00 54.13 52.86 1ntr s LEU 76 Cb 0.00 0.61 0.05 0.00 -2.05 0.00 0.00 46.19 44.80 1ntr s LEU 76 CO 0.00 -0.83 1.19 -2.16 -0.55 0.00 0.00 176.35 174.00 1ntr s PRO 77 N -4.06 2.06 -0.28 1.48 0.04 -1.26 -4.69 135.00 128.30 1ntr s PRO 77 Ca 0.27 1.69 -0.03 0.00 0.04 0.00 0.00 61.00 62.98 1ntr s PRO 77 Cb 0.06 -1.83 0.11 0.00 0.04 0.00 0.00 34.50 32.88 1ntr s PRO 77 CO 0.05 -1.88 0.19 0.14 0.04 0.00 0.00 177.00 175.54 1ntr s VAL 78 N -2.11 -0.21 0.24 -0.36 -7.23 -0.95 -2.73 120.40 107.05 1ntr s VAL 78 Ca 0.73 -0.59 -0.30 0.00 -1.81 0.00 0.00 61.98 60.01 1ntr s VAL 78 Cb -0.27 -0.94 -0.09 0.00 0.56 0.00 0.00 36.38 35.64 1ntr s VAL 78 CO 0.47 -0.58 1.05 -0.63 -0.31 0.00 0.00 175.10 175.10 1ntr s ILE 79 N 2.21 3.78 -0.19 -0.62 1.09 0.56 -4.74 121.20 123.29 1ntr s ILE 79 Ca 0.09 1.72 0.00 0.00 -1.10 0.00 0.00 60.65 61.35 1ntr s ILE 79 Cb -0.15 -4.09 0.05 0.00 -1.06 0.00 0.00 42.46 37.20 1ntr s ILE 79 CO -0.32 0.38 -0.07 -0.51 -0.10 0.00 0.00 174.94 174.31 1ntr s ILE 80 N -0.91 1.40 0.58 2.92 2.07 -1.26 -2.18 121.20 123.82 1ntr s ILE 80 Ca 0.45 -0.90 -0.20 0.00 -1.41 0.00 0.00 60.65 58.59 1ntr s ILE 80 Cb -0.29 -1.56 -0.04 0.00 0.13 0.00 0.00 42.46 40.70 1ntr s ILE 80 CO 0.37 0.09 1.28 -0.32 -1.91 0.00 0.00 174.94 174.45 1ntr s MET 81 N 1.49 2.96 0.40 3.50 -2.45 -0.04 -2.32 119.30 122.84 1ntr s MET 81 Ca -0.01 2.03 0.00 0.00 -1.25 0.00 0.00 55.69 56.46 1ntr s MET 81 Cb -0.16 -2.05 0.00 0.00 1.25 0.00 0.00 34.83 33.87 1ntr s MET 81 CO -0.08 -1.27 0.00 -2.37 1.05 0.00 0.00 175.02 172.35 1ntr n THR 82 N -1.42 0.00 -3.15 10.11 5.66 -0.55 -4.27 114.28 120.66 1ntr n THR 82 Ca 0.13 0.24 -0.20 0.00 -3.05 0.00 0.00 64.05 61.17 1ntr n THR 82 Cb 0.47 -0.72 -0.05 0.00 -1.55 0.00 0.00 70.33 68.48 1ntr n THR 82 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1ntr n ALA 83 N -2.78 1.38 -2.00 1.79 0.00 -1.26 -4.55 120.51 113.08 1ntr n ALA 83 Ca -0.01 -2.60 0.00 0.00 0.00 0.00 0.00 53.44 50.82 1ntr n ALA 83 Cb 0.65 -0.97 0.00 0.00 0.00 0.00 0.00 19.45 19.13 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 2.34 0.00 -2.48 0.00 8.25 -1.26 -4.90 115.22 117.17 1ntr n HIS 84 Ca 0.23 0.00 -0.07 0.00 -0.26 0.00 0.00 57.72 57.62 1ntr n HIS 84 Cb 0.53 0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.63 1ntr n HIS 84 CO 0.00 0.00 0.00 -1.13 0.64 0.00 0.00 176.34 175.85 1ntr n SER 85 N 0.00 -2.71 -1.71 0.41 3.41 -1.26 -3.43 113.62 108.33 1ntr n SER 85 Ca 0.00 0.31 0.00 0.00 -0.26 0.00 0.00 58.87 58.92 1ntr n SER 85 Cb 0.00 -2.36 0.00 0.00 -0.26 0.00 0.00 64.21 61.59 1ntr n SER 85 CO 0.00 0.00 0.00 0.47 -0.16 0.00 0.00 175.04 175.35 1ntr n ASP 86 N -1.69 -8.22 -0.52 4.04 8.00 -1.26 -2.54 116.55 114.37 1ntr n ASP 86 Ca -0.08 1.17 0.40 0.00 0.71 0.00 0.00 54.79 56.98 1ntr n ASP 86 Cb 0.56 -4.34 0.63 0.00 -0.02 0.00 0.00 41.12 37.96 1ntr n ASP 86 CO 0.00 0.00 0.00 -0.11 -0.39 0.00 0.00 177.20 176.70 1ntr n LEU 87 N 0.96 0.06 0.00 0.64 -0.00 -1.22 -0.92 117.00 116.51 1ntr n LEU 87 Ca 0.00 0.92 0.00 0.00 -0.00 0.00 0.00 56.01 56.93 1ntr n LEU 87 Cb 0.00 -0.45 0.00 0.00 -0.00 0.00 0.00 43.42 42.97 1ntr n LEU 87 CO 0.00 -0.95 0.18 0.47 -0.00 0.00 0.00 177.39 177.10 1ntr n ASP 88 N -3.82 0.00 -0.41 1.96 9.92 -1.26 0.13 116.55 123.08 1ntr n ASP 88 Ca 0.35 0.37 0.33 0.00 -0.53 0.00 0.00 54.79 55.31 1ntr n ASP 88 Cb 1.52 0.00 0.61 0.00 -0.64 0.00 0.00 41.12 42.61 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ntr h ALA 89 N -1.88 2.59 -3.00 2.24 0.00 -0.74 0.69 119.26 119.17 1ntr h ALA 89 Ca 0.00 0.10 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1ntr h ALA 89 Cb 0.00 0.15 0.00 0.00 0.00 0.00 0.00 17.79 17.94 1ntr h ALA 89 CO 0.00 -1.15 0.00 0.00 0.00 0.00 0.00 179.25 178.10 1ntr n ALA 90 N -2.51 0.00 -0.20 0.00 0.00 0.35 -3.95 120.51 114.20 1ntr n ALA 90 Ca 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.72 1ntr n ALA 90 Cb 1.27 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 20.67 1ntr n ALA 90 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr n VAL 91 N 0.00 -0.32 0.00 0.00 0.31 0.20 -4.12 118.33 114.40 1ntr n VAL 91 Ca 0.00 1.60 0.00 0.00 -0.01 0.00 0.00 64.34 65.93 1ntr n VAL 91 Cb 0.00 -2.03 0.00 0.00 -0.91 0.00 0.00 33.84 30.90 1ntr n VAL 91 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1ntr n SER 92 N -4.11 0.00 0.00 4.52 7.64 0.21 -3.07 113.62 118.82 1ntr n SER 92 Ca 0.01 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.89 1ntr n SER 92 Cb 0.12 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.32 1ntr n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1ntr n ALA 93 N -3.00 0.00 0.24 -0.43 0.00 -1.25 -1.85 120.51 114.21 1ntr n ALA 93 Ca 0.00 0.00 0.07 0.00 0.00 0.00 0.00 53.44 53.51 1ntr n ALA 93 Cb 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.35 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 0.00 0.00 4.11 -1.26 -4.92 117.16 115.09 1ntr n TYR 94 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.90 1ntr n TYR 94 Cb 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 39.34 39.13 1ntr n TYR 94 CO 0.00 0.00 0.00 1.04 -0.00 0.00 0.00 176.86 177.90 1ntr n GLN 95 N -1.76 0.00 -2.94 -3.48 6.02 -0.77 -4.30 117.38 110.15 1ntr n GLN 95 Ca -0.01 0.00 -0.40 0.00 -0.01 0.00 0.00 57.00 56.58 1ntr n GLN 95 Cb 0.32 0.00 -0.05 0.00 1.02 0.00 0.00 30.24 31.53 1ntr n GLN 95 CO 0.00 0.00 0.00 -1.14 -1.01 0.00 0.00 177.06 174.91 1ntr s GLN 96 N 0.00 4.56 0.19 -1.09 0.74 -1.26 -5.01 119.66 117.79 1ntr s GLN 96 Ca 0.00 1.16 -0.07 0.00 0.05 0.00 0.00 55.36 56.50 1ntr s GLN 96 Cb 0.00 -3.33 0.03 0.00 1.10 0.00 0.00 33.01 30.81 1ntr s GLN 96 CO 0.00 0.37 0.38 0.41 -0.55 0.00 0.00 175.29 175.90 1ntr n GLY 97 N 2.11 1.50 2.94 2.59 0.00 -1.26 -5.12 105.19 107.95 1ntr n GLY 97 Ca -0.03 -1.13 -0.30 0.00 0.00 0.00 0.00 46.02 44.56 1ntr n GLY 97 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1ntr s ALA 98 N -1.52 2.88 0.00 4.61 0.00 -1.26 -5.04 121.76 121.42 1ntr s ALA 98 Ca 0.08 -2.76 0.00 0.00 0.00 0.00 0.00 51.96 49.28 1ntr s ALA 98 Cb -0.02 -2.01 0.00 0.00 0.00 0.00 0.00 23.12 21.09 1ntr s ALA 98 CO 0.06 -1.85 0.00 1.97 0.00 0.00 0.00 175.76 175.94 1ntr n PHE 99 N 3.79 0.00 -3.77 0.00 -1.74 -1.26 -2.25 117.46 112.23 1ntr n PHE 99 Ca 0.04 0.00 -0.13 0.00 -0.56 0.00 0.00 57.45 56.80 1ntr n PHE 99 Cb 0.37 0.00 -0.13 0.00 1.52 0.00 0.00 39.48 41.24 1ntr n PHE 99 CO 0.00 0.00 0.00 0.34 -0.56 0.00 0.00 176.76 176.54 1ntr s ASP 100 N -2.15 -0.15 -0.30 5.98 -1.08 -1.26 -5.03 116.67 112.67 1ntr s ASP 100 Ca 0.00 0.34 -0.43 0.00 -0.52 0.00 0.00 52.55 51.94 1ntr s ASP 100 Cb 0.00 0.27 -0.18 0.00 -1.46 0.00 0.00 42.92 41.55 1ntr s ASP 100 CO 0.00 -0.11 1.56 -1.22 0.52 0.00 0.00 175.17 175.92 1ntr n TYR 101 N 3.73 1.71 -3.50 -5.34 4.01 -1.26 -4.53 117.16 111.98 1ntr n TYR 101 Ca -0.21 0.86 -0.42 0.00 -0.16 0.00 0.00 57.90 57.98 1ntr n TYR 101 Cb 0.55 -2.31 -0.10 0.00 -0.31 0.00 0.00 39.34 37.17 1ntr n TYR 101 CO 0.00 0.00 0.00 -1.17 -0.46 0.00 0.00 176.86 175.23 1ntr s LEU 102 N 2.59 4.85 0.55 7.72 0.20 -0.98 -4.91 118.68 128.69 1ntr s LEU 102 Ca 0.99 -0.72 -0.00 0.00 0.69 0.00 0.00 54.13 55.08 1ntr s LEU 102 Cb -1.26 -2.14 0.03 0.00 -0.43 0.00 0.00 46.19 42.39 1ntr s LEU 102 CO 0.69 -0.36 0.79 -2.16 -0.29 0.00 0.00 176.35 175.02 1ntr s PRO 103 N 1.69 2.65 0.31 0.98 0.04 -1.26 -1.49 135.00 137.92 1ntr s PRO 103 Ca 0.05 -0.59 0.00 0.00 0.04 0.00 0.00 61.00 60.50 1ntr s PRO 103 Cb -0.18 -2.45 -0.04 0.00 0.04 0.00 0.00 34.50 31.87 1ntr s PRO 103 CO 0.10 -0.67 0.51 0.15 0.04 0.00 0.00 177.00 177.13 1ntr s LYS 104 N -4.79 3.50 0.36 4.56 3.01 -1.26 -4.50 119.74 120.62 1ntr s LYS 104 Ca 0.55 -0.34 0.07 0.00 -1.01 0.00 0.00 55.97 55.24 1ntr s LYS 104 Cb -0.10 -2.71 -0.01 0.00 -1.01 0.00 0.00 37.83 34.00 1ntr s LYS 104 CO 0.40 0.22 0.46 -1.25 0.51 0.00 0.00 175.35 175.68 1ntr s PRO 105 N -4.05 2.96 0.29 -1.68 0.04 -1.26 -5.14 135.00 126.15 1ntr s PRO 105 Ca 0.40 -1.14 -0.05 0.00 0.04 0.00 0.00 61.00 60.24 1ntr s PRO 105 Cb -0.10 -2.72 -0.01 0.00 0.04 0.00 0.00 34.50 31.71 1ntr s PRO 105 CO 0.34 -0.02 0.41 -0.59 0.04 0.00 0.00 177.00 177.18 1ntr s PHE 106 N -2.25 0.86 0.00 0.56 -0.71 -1.26 -5.17 117.98 110.01 1ntr s PHE 106 Ca 0.47 -1.13 0.00 0.00 -1.04 0.00 0.00 56.93 55.23 1ntr s PHE 106 Cb -0.09 -0.09 0.00 0.00 -1.21 0.00 0.00 43.02 41.63 1ntr s PHE 106 CO 0.31 -1.00 0.00 -3.47 -1.34 0.00 0.00 175.22 169.72 1ntr n ASP 107 N -0.87 0.00 0.00 1.98 2.03 -1.26 -5.04 116.55 113.39 1ntr n ASP 107 Ca 0.00 0.00 0.00 0.00 0.52 0.00 0.00 54.79 55.31 1ntr n ASP 107 Cb 0.62 0.00 0.00 0.00 -0.72 0.00 0.00 41.12 41.02 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 0.00 0.08 5.18 -0.00 -1.26 -4.43 119.36 118.93 1ntr n ILE 108 Ca 0.00 0.00 -0.16 0.00 -0.00 0.00 0.00 62.75 62.59 1ntr n ILE 108 Cb 0.00 -0.74 -0.14 0.00 -0.00 0.00 0.00 39.64 38.76 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 0.38 -0.85 4.38 3.58 -1.97 0.10 116.42 122.04 1ntr h ASP 109 Ca 0.00 -0.47 0.04 0.00 0.42 0.00 0.00 57.03 57.02 1ntr h ASP 109 Cb 0.92 -0.13 -0.05 0.00 1.72 0.00 0.00 39.33 41.79 1ntr h ASP 109 CO 0.00 1.38 0.56 -0.08 -2.88 0.00 0.00 179.24 178.22 1ntr h GLU 110 N 0.07 0.99 0.00 0.28 4.81 -1.98 -0.08 114.58 118.67 1ntr h GLU 110 Ca -0.19 -0.06 0.00 0.00 -0.13 0.00 0.00 59.36 58.98 1ntr h GLU 110 Cb 1.99 -0.22 0.00 0.00 0.63 0.00 0.00 28.75 31.14 1ntr h GLU 110 CO 0.18 0.66 0.00 0.00 -0.73 0.00 0.00 179.01 179.12 1ntr n ALA 111 N -2.41 -0.00 -0.33 2.92 0.00 -1.19 -2.27 120.51 117.23 1ntr n ALA 111 Ca 0.11 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.56 1ntr n ALA 111 Cb 0.13 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.64 1ntr n ALA 111 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 1ntr n VAL 112 N -1.68 -0.44 0.48 0.00 3.14 0.02 -0.89 118.33 118.96 1ntr n VAL 112 Ca 0.00 2.03 -0.19 0.00 -2.96 0.00 0.00 64.34 63.22 1ntr n VAL 112 Cb 0.00 -2.71 -0.09 0.00 -1.06 0.00 0.00 33.84 29.98 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1ntr h ALA 113 N 1.32 -1.30 -0.72 1.55 0.00 -1.17 -1.81 119.26 117.12 1ntr h ALA 113 Ca 0.33 -0.27 0.20 0.00 0.00 0.00 0.00 54.91 55.17 1ntr h ALA 113 Cb 0.55 0.47 -0.13 0.00 0.00 0.00 0.00 17.79 18.67 1ntr h ALA 113 CO -0.87 -1.21 0.03 -0.11 0.00 0.00 0.00 179.25 177.09 1ntr n LEU 114 N -5.34 -0.07 0.17 0.00 -0.00 -0.06 0.17 117.00 111.86 1ntr n LEU 114 Ca -0.15 1.23 -0.13 0.00 -0.00 0.00 0.00 56.01 56.95 1ntr n LEU 114 Cb 0.48 -0.45 -0.08 0.00 -0.00 0.00 0.00 43.42 43.37 1ntr n LEU 114 CO 0.36 -1.25 0.55 0.58 -0.00 0.00 0.00 177.39 177.64 1ntr h VAL 115 N 0.00 0.67 -0.74 1.96 2.07 -1.14 -2.68 116.25 116.39 1ntr h VAL 115 Ca 0.45 -0.56 0.30 0.00 0.82 0.00 0.00 66.70 67.71 1ntr h VAL 115 Cb 0.93 0.95 -0.12 0.00 -1.52 0.00 0.00 31.29 31.53 1ntr h VAL 115 CO -0.67 0.11 0.41 1.21 0.02 0.00 0.00 177.57 178.65 1ntr n GLU 116 N -5.15 -0.04 -0.02 1.57 2.13 0.44 0.20 120.64 119.76 1ntr n GLU 116 Ca -0.10 0.96 -0.16 0.00 0.66 0.00 0.00 57.16 58.53 1ntr n GLU 116 Cb 0.26 -1.75 -0.12 0.00 0.27 0.00 0.00 31.44 30.10 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 0.15 0.13 5.31 3.08 -1.29 -3.25 114.38 118.50 1ntr h ARG 117 Ca 0.60 -0.19 0.00 0.00 0.07 0.00 0.00 59.98 60.46 1ntr h ARG 117 Cb 1.64 0.06 -0.02 0.00 0.08 0.00 0.00 29.97 31.73 1ntr h ARG 117 CO -0.51 0.99 -0.29 0.00 -1.07 0.00 0.00 179.97 179.08 1ntr h ALA 118 N 0.17 -0.85 -0.77 0.04 0.00 0.26 -1.13 119.26 116.97 1ntr h ALA 118 Ca -0.04 -0.07 0.30 0.00 0.00 0.00 0.00 54.91 55.09 1ntr h ALA 118 Cb 1.10 0.65 -0.14 0.00 0.00 0.00 0.00 17.79 19.40 1ntr h ALA 118 CO 0.05 -0.91 0.32 -0.89 0.00 0.00 0.00 179.25 177.82 1ntr n ILE 119 N -4.10 -0.32 -2.69 0.00 5.41 -0.14 0.34 119.36 117.86 1ntr n ILE 119 Ca -0.05 1.60 -0.36 0.00 1.00 0.00 0.00 62.75 64.94 1ntr n ILE 119 Cb 0.24 -2.53 0.00 0.00 -0.71 0.00 0.00 39.64 36.63 1ntr n ILE 119 CO 0.00 0.00 0.00 -1.20 0.00 0.00 0.00 176.55 175.35 1ntr n SER 120 N -4.83 6.32 -0.00 4.38 7.64 -0.45 -4.53 113.62 122.15 1ntr n SER 120 Ca 0.27 -3.70 0.01 0.00 1.01 0.00 0.00 58.87 56.46 1ntr n SER 120 Cb 0.90 -0.93 -0.02 0.00 -1.01 0.00 0.00 64.21 63.15 1ntr n SER 120 CO 0.00 0.00 0.00 1.57 -3.01 0.00 0.00 175.04 173.60 1ntr n HIS 121 N -0.17 0.00 1.10 1.43 -0.00 0.15 -4.52 115.22 113.21 1ntr n HIS 121 Ca 0.42 0.00 0.13 0.00 -0.00 0.00 0.00 57.72 58.27 1ntr n HIS 121 Cb 0.32 -0.06 0.62 0.00 -0.00 0.00 0.00 29.99 30.87 1ntr n HIS 121 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 176.34 177.00 1ntr n TYR 122 N -1.58 0.00 -0.28 1.57 4.02 -1.26 -3.56 117.16 116.07 1ntr n TYR 122 Ca -0.00 0.00 0.23 0.00 -0.01 0.00 0.00 57.90 58.11 1ntr n TYR 122 Cb 0.06 -0.39 0.54 0.00 -0.02 0.00 0.00 39.34 39.53 1ntr n TYR 122 CO 0.00 0.00 0.00 1.96 -1.01 0.00 0.00 176.86 177.81 1ntr h GLN 123 N 0.00 0.34 -0.02 -0.72 4.20 -1.91 -3.55 115.11 113.45 1ntr h GLN 123 Ca 0.00 -0.02 0.00 0.00 0.06 0.00 0.00 58.65 58.69 1ntr h GLN 123 Cb 0.35 -0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.06 1ntr h GLN 123 CO 0.00 0.22 0.00 -1.91 -0.67 0.00 0.00 178.83 176.47