#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ntr n GLN 2 N 0.00 -1.81 -3.61 0.03 7.27 -1.26 -5.08 117.38 112.92 1ntr n GLN 2 Ca 0.00 1.70 -0.09 0.00 0.07 0.00 0.00 57.00 58.69 1ntr n GLN 2 Cb 0.00 -3.78 -0.06 0.00 2.41 0.00 0.00 30.24 28.82 1ntr n GLN 2 CO 0.00 0.00 0.00 -0.98 0.07 0.00 0.00 177.06 176.15 1ntr s ARG 3 N -1.39 0.48 0.00 3.69 1.04 -1.26 -4.84 118.95 116.68 1ntr s ARG 3 Ca 0.06 0.29 0.00 0.00 -1.04 0.00 0.00 55.73 55.04 1ntr s ARG 3 Cb -0.02 0.23 0.00 0.00 -2.04 0.00 0.00 34.95 33.12 1ntr s ARG 3 CO 0.46 -0.12 0.00 0.41 -0.04 0.00 0.00 175.30 176.02 1ntr n GLY 4 N 1.30 1.38 3.29 3.88 0.00 -1.26 -4.98 105.19 108.79 1ntr n GLY 4 Ca -0.10 -0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.50 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 -1.19 4.49 -0.19 -0.61 1.09 -1.26 -2.01 121.20 121.51 1ntr s ILE 5 Ca 0.00 -1.41 -0.07 0.00 -1.10 0.00 0.00 60.65 58.07 1ntr s ILE 5 Cb 0.00 -3.78 -0.04 0.00 -1.06 0.00 0.00 42.46 37.58 1ntr s ILE 5 CO 0.00 -0.59 0.06 0.54 -0.10 0.00 0.00 174.94 174.85 1ntr s VAL 6 N 1.47 4.66 -1.04 2.92 0.11 -0.92 -2.09 120.40 125.50 1ntr s VAL 6 Ca 0.04 -0.08 -0.09 0.00 -2.93 0.00 0.00 61.98 58.93 1ntr s VAL 6 Cb -0.24 -3.11 0.26 0.00 -1.53 0.00 0.00 36.38 31.76 1ntr s VAL 6 CO 0.03 0.44 1.02 0.26 -3.33 0.00 0.00 175.10 173.51 1ntr s TRP 7 N 0.61 4.16 0.44 1.54 0.51 -0.50 -1.64 118.94 124.05 1ntr s TRP 7 Ca 0.03 -2.66 -0.23 0.00 -2.12 0.00 0.00 56.10 51.12 1ntr s TRP 7 Cb -0.13 -3.75 -0.08 0.00 -0.81 0.00 0.00 33.47 28.70 1ntr s TRP 7 CO 0.01 -0.93 1.10 0.08 -0.51 0.00 0.00 176.95 176.71 1ntr s VAL 8 N -1.09 3.44 -0.52 4.03 1.01 -0.41 -1.53 120.40 125.32 1ntr s VAL 8 Ca 0.29 1.07 -0.21 0.00 0.00 0.00 0.00 61.98 63.13 1ntr s VAL 8 Cb -0.10 -3.53 0.05 0.00 0.00 0.00 0.00 36.38 32.80 1ntr s VAL 8 CO -0.09 -0.03 0.72 -0.69 0.00 0.00 0.00 175.10 175.02 1ntr s VAL 9 N -1.64 4.73 1.16 2.92 1.01 0.58 -1.32 120.40 127.84 1ntr s VAL 9 Ca 0.61 -0.23 -0.17 0.00 0.00 0.00 0.00 61.98 62.19 1ntr s VAL 9 Cb -0.24 -4.37 0.20 0.00 0.00 0.00 0.00 36.38 31.97 1ntr s VAL 9 CO 0.30 -0.89 0.37 -0.67 0.00 0.00 0.00 175.10 174.22 1ntr n ASP 10 N 6.56 -2.80 0.01 3.32 -0.08 0.08 -2.52 116.55 121.11 1ntr n ASP 10 Ca -0.04 -0.35 0.00 0.00 -1.51 0.00 0.00 54.79 52.90 1ntr n ASP 10 Cb 0.46 -0.95 0.00 0.00 2.34 0.00 0.00 41.12 42.98 1ntr n ASP 10 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ntr n ASP 11 N -2.72 0.06 -2.99 1.67 -0.08 -1.26 -4.43 116.55 106.81 1ntr n ASP 11 Ca 0.04 0.02 0.03 0.00 -1.51 0.00 0.00 54.79 53.37 1ntr n ASP 11 Cb 0.53 -0.01 0.00 0.00 2.34 0.00 0.00 41.12 43.98 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 -5.06 -0.60 0.46 1.67 -1.08 -1.26 -5.02 116.67 105.79 1ntr s ASP 12 Ca 0.00 -0.13 0.00 0.00 -0.52 0.00 0.00 52.55 51.90 1ntr s ASP 12 Cb 0.00 1.03 0.00 0.00 -1.46 0.00 0.00 42.92 42.49 1ntr s ASP 12 CO 0.00 -0.09 0.00 -1.54 0.52 0.00 0.00 175.17 174.06 1ntr n SER 13 N 4.42 -8.10 0.00 -0.34 3.41 -1.26 -4.48 113.62 107.28 1ntr n SER 13 Ca 0.08 1.21 0.00 0.00 -0.26 0.00 0.00 58.87 59.90 1ntr n SER 13 Cb 0.60 -4.81 0.00 0.00 -0.26 0.00 0.00 64.21 59.74 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 -0.57 -2.10 -0.08 4.04 2.88 -1.26 -4.79 113.62 111.74 1ntr n SER 14 Ca 0.00 0.00 -0.12 0.00 -1.33 0.00 0.00 58.87 57.42 1ntr n SER 14 Cb 0.00 -2.62 -0.07 0.00 -0.75 0.00 0.00 64.21 60.77 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 0.55 -0.57 2.46 1.08 -1.98 -0.29 117.51 118.77 1ntr h ILE 15 Ca 0.00 -1.63 -0.03 0.00 -0.39 0.00 0.00 64.86 62.81 1ntr h ILE 15 Cb 0.33 1.25 -0.03 0.00 -3.07 0.00 0.00 36.82 35.31 1ntr h ILE 15 CO 0.00 0.19 0.21 -0.09 -0.69 0.00 0.00 178.15 177.77 1ntr h ARG 16 N -1.00 0.83 0.26 2.37 2.43 -1.88 -2.77 114.38 114.61 1ntr h ARG 16 Ca -0.15 -0.13 -0.01 0.00 -0.81 0.00 0.00 59.98 58.87 1ntr h ARG 16 Cb 0.85 -0.14 0.00 0.00 -0.42 0.00 0.00 29.97 30.26 1ntr h ARG 16 CO -0.09 0.69 -0.13 -1.49 -1.51 0.00 0.00 179.97 177.44 1ntr h TRP 17 N 0.81 -0.33 -0.79 2.20 6.55 -1.94 -2.62 115.95 119.83 1ntr h TRP 17 Ca 0.19 -0.01 0.07 0.00 0.95 0.00 0.00 58.89 60.10 1ntr h TRP 17 Cb 0.18 0.11 -0.09 0.00 -0.86 0.00 0.00 29.16 28.50 1ntr h TRP 17 CO 0.01 0.03 -0.46 0.28 -1.05 0.00 0.00 178.44 177.24 1ntr n VAL 18 N -5.03 -0.53 0.00 1.49 0.31 -0.12 -0.84 118.33 113.61 1ntr n VAL 18 Ca -0.08 2.16 0.00 0.00 -0.01 0.00 0.00 64.34 66.41 1ntr n VAL 18 Cb 0.26 -2.69 0.00 0.00 -0.91 0.00 0.00 33.84 30.50 1ntr n VAL 18 CO 0.00 0.00 0.00 0.18 -1.32 0.00 0.00 176.83 175.69 1ntr n LEU 19 N -4.80 0.00 -0.56 7.52 7.99 -1.06 -1.85 117.00 124.24 1ntr n LEU 19 Ca 0.02 0.98 0.42 0.00 -0.01 0.00 0.00 56.01 57.42 1ntr n LEU 19 Cb 0.20 -0.48 0.64 0.00 -0.11 0.00 0.00 43.42 43.68 1ntr n LEU 19 CO -0.13 -0.48 1.16 -0.62 -1.51 0.00 0.00 177.39 175.82 1ntr n GLU 20 N -2.15 -0.00 0.19 3.23 1.02 -0.95 0.12 120.64 122.11 1ntr n GLU 20 Ca 0.00 0.85 -0.13 0.00 -0.02 0.00 0.00 57.16 57.86 1ntr n GLU 20 Cb 0.00 -1.96 -0.07 0.00 -0.02 0.00 0.00 31.44 29.39 1ntr n GLU 20 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 1ntr h ARG 21 N 0.00 -0.51 0.00 3.49 1.12 -0.22 0.22 114.38 118.48 1ntr h ARG 21 Ca 0.74 0.03 0.00 0.00 -1.11 0.00 0.00 59.98 59.64 1ntr h ARG 21 Cb 2.96 0.12 0.00 0.00 -0.01 0.00 0.00 29.97 33.04 1ntr h ARG 21 CO -0.01 -0.20 0.00 0.00 -3.11 0.00 0.00 179.97 176.65 1ntr n ALA 22 N -2.57 1.80 0.90 2.80 0.00 0.33 -1.61 120.51 122.16 1ntr n ALA 22 Ca -0.09 -0.07 0.09 0.00 0.00 0.00 0.00 53.44 53.37 1ntr n ALA 22 Cb 0.28 -1.24 -0.09 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.34 1.07 -0.08 0.00 7.99 0.18 -3.99 117.00 120.84 1ntr n LEU 23 Ca 0.06 -0.54 -0.13 0.00 -0.01 0.00 0.00 56.01 55.39 1ntr n LEU 23 Cb 0.13 0.00 -0.09 0.00 -0.11 0.00 0.00 43.42 43.35 1ntr n LEU 23 CO 0.12 0.25 0.01 0.00 -1.51 0.00 0.00 177.39 176.25 1ntr h ALA 24 N 2.85 0.07 0.00 -1.18 0.00 0.42 -2.60 119.26 118.83 1ntr h ALA 24 Ca 0.00 -0.62 -0.01 0.00 0.00 0.00 0.00 54.91 54.28 1ntr h ALA 24 Cb 0.49 0.25 -0.00 0.00 0.00 0.00 0.00 17.79 18.53 1ntr h ALA 24 CO 0.00 0.24 -0.06 0.78 0.00 0.00 0.00 179.25 180.21 1ntr h GLY 25 N -1.00 0.00 1.53 0.00 0.00 -1.77 -0.83 103.07 101.00 1ntr h GLY 25 Ca -0.10 0.00 -0.14 0.00 0.00 0.00 0.00 47.33 47.10 1ntr h GLY 25 CO -0.06 0.00 -0.45 0.00 0.00 0.00 0.00 176.54 176.03 1ntr h ALA 26 N 1.94 0.84 -0.92 3.60 0.00 -1.69 -3.48 119.26 119.55 1ntr h ALA 26 Ca -0.00 -0.46 0.00 0.00 0.00 0.00 0.00 54.91 54.45 1ntr h ALA 26 Cb 0.11 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1ntr h ALA 26 CO 0.01 0.66 0.00 0.41 0.00 0.00 0.00 179.25 180.32 1ntr n GLY 27 N 0.05 0.82 3.31 0.00 0.00 -0.32 -5.08 105.19 103.98 1ntr n GLY 27 Ca -0.02 -0.54 -0.19 0.00 0.00 0.00 0.00 46.02 45.27 1ntr n GLY 27 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1ntr s LEU 28 N -0.92 1.70 -0.96 0.99 2.96 -1.00 -4.62 118.68 116.84 1ntr s LEU 28 Ca 0.00 -1.75 -0.08 0.00 -0.22 0.00 0.00 54.13 52.08 1ntr s LEU 28 Cb 0.00 0.68 0.24 0.00 0.50 0.00 0.00 46.19 47.61 1ntr s LEU 28 CO 0.00 -1.10 0.90 -0.89 -1.32 0.00 0.00 176.35 173.94 1ntr s THR 29 N -3.35 5.36 -0.83 3.68 2.01 -0.85 -4.79 115.64 116.87 1ntr s THR 29 Ca 0.40 -3.26 -0.18 0.00 0.31 0.00 0.00 61.69 58.96 1ntr s THR 29 Cb 0.02 -4.27 0.14 0.00 0.01 0.00 0.00 72.50 68.39 1ntr s THR 29 CO 0.28 -1.10 0.96 0.00 -0.69 0.00 0.00 174.62 174.07 1ntr s THR 31 N 2.23 5.09 -0.15 0.00 2.01 -0.65 -4.61 115.64 119.56 1ntr s THR 31 Ca 0.25 0.46 -0.08 0.00 0.31 0.00 0.00 61.69 62.64 1ntr s THR 31 Cb -0.10 -3.65 0.06 0.00 0.01 0.00 0.00 72.50 68.82 1ntr s THR 31 CO -0.05 0.30 0.36 0.42 -0.69 0.00 0.00 174.62 174.96 1ntr s THR 32 N -1.38 -0.07 -0.16 -0.82 -4.23 -1.26 -1.29 115.64 106.43 1ntr s THR 32 Ca 0.32 0.12 -0.02 0.00 -1.18 0.00 0.00 61.69 60.93 1ntr s THR 32 Cb -0.14 -0.54 -0.02 0.00 1.34 0.00 0.00 72.50 73.14 1ntr s THR 32 CO 0.18 0.05 -0.08 -0.36 -0.54 0.00 0.00 174.62 173.87 1ntr s PHE 33 N 1.45 2.92 0.62 3.99 0.40 -0.44 -4.67 117.98 122.26 1ntr s PHE 33 Ca -0.09 -0.60 0.16 0.00 -0.60 0.00 0.00 56.93 55.80 1ntr s PHE 33 Cb -0.09 -1.95 0.90 0.00 0.51 0.00 0.00 43.02 42.38 1ntr s PHE 33 CO -0.11 -0.24 1.49 1.05 0.70 0.00 0.00 175.22 178.11 1ntr h GLU 34 N 7.07 0.00 -4.45 0.44 4.11 -1.86 0.26 114.58 120.15 1ntr h GLU 34 Ca -0.32 0.00 -0.44 0.00 0.07 0.00 0.00 59.36 58.67 1ntr h GLU 34 Cb 1.19 0.00 -0.32 0.00 0.50 0.00 0.00 28.75 30.12 1ntr h GLU 34 CO 0.59 0.00 -0.79 -0.80 0.07 0.00 0.00 179.01 178.08 1ntr s ASN 35 N -3.76 1.28 0.55 3.06 -0.87 -1.26 -4.27 114.94 109.67 1ntr s ASN 35 Ca -0.02 -0.20 0.37 0.00 -1.57 0.00 0.00 52.86 51.44 1ntr s ASN 35 Cb 0.05 -0.47 1.92 0.00 -0.02 0.00 0.00 41.25 42.72 1ntr s ASN 35 CO 0.15 0.03 2.12 1.23 -2.57 0.00 0.00 177.10 178.06 1ntr h GLY 36 N 6.71 0.00 0.00 0.66 0.00 -1.91 -2.90 103.07 105.62 1ntr h GLY 36 Ca -0.34 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.99 1ntr h GLY 36 CO 0.48 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 175.01 1ntr n ASN 37 N -2.83 0.00 -0.27 0.19 5.15 -1.26 -1.39 115.26 114.86 1ntr n ASN 37 Ca -0.02 0.27 0.13 0.00 -0.60 0.00 0.00 54.58 54.36 1ntr n ASN 37 Cb 0.10 0.00 0.25 0.00 -0.53 0.00 0.00 39.78 39.60 1ntr n ASN 37 CO 0.00 0.00 0.00 1.21 1.40 0.00 0.00 177.26 179.87 1ntr n GLU 38 N -0.46 -0.06 0.10 1.20 2.13 -1.22 0.13 120.64 122.46 1ntr n GLU 38 Ca 0.00 1.15 -0.12 0.00 0.66 0.00 0.00 57.16 58.85 1ntr n GLU 38 Cb 0.00 -1.86 -0.06 0.00 0.27 0.00 0.00 31.44 29.79 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 0.70 0.00 6.31 3.04 -1.57 0.21 116.25 124.94 1ntr h VAL 39 Ca 0.49 0.00 0.00 0.00 -1.01 0.00 0.00 66.70 66.18 1ntr h VAL 39 Cb 1.06 0.70 0.00 0.00 -2.01 0.00 0.00 31.29 31.04 1ntr h VAL 39 CO -0.72 0.00 0.00 0.25 -1.01 0.00 0.00 177.57 176.09 1ntr h LEU 40 N -0.27 0.00 0.00 3.16 7.12 0.23 0.39 115.31 125.93 1ntr h LEU 40 Ca 0.01 0.00 -0.15 0.00 0.13 0.00 0.00 57.88 57.88 1ntr h LEU 40 Cb 0.27 0.00 -0.02 0.00 -0.53 0.00 0.00 40.66 40.38 1ntr h LEU 40 CO -0.05 0.00 -0.96 0.00 -0.13 0.00 0.00 178.44 177.30 1ntr h ALA 41 N 2.05 0.64 -0.06 1.25 0.00 0.19 -3.29 119.26 120.04 1ntr h ALA 41 Ca 0.00 -0.68 -0.20 0.00 0.00 0.00 0.00 54.91 54.03 1ntr h ALA 41 Cb 0.15 0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.01 1ntr h ALA 41 CO 0.00 0.83 -0.79 0.00 0.00 0.00 0.00 179.25 179.29 1ntr h ALA 42 N 1.41 0.52 -3.00 0.00 0.00 0.15 -3.41 119.26 114.93 1ntr h ALA 42 Ca -0.08 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.20 1ntr h ALA 42 Cb 1.52 -0.05 0.00 0.00 0.00 0.00 0.00 17.79 19.26 1ntr h ALA 42 CO 0.06 0.77 0.00 1.28 0.00 0.00 0.00 179.25 181.37 1ntr n LEU 43 N -3.82 0.00 0.00 0.00 4.77 -1.02 -4.78 117.00 112.15 1ntr n LEU 43 Ca -0.05 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 55.93 1ntr n LEU 43 Cb 0.74 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.83 1ntr n LEU 43 CO 0.49 0.00 0.00 0.00 -1.33 0.00 0.00 177.39 176.55 1ntr n ALA 44 N -3.00 0.00 -0.12 -1.18 0.00 -1.25 -4.47 120.51 110.50 1ntr n ALA 44 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 1ntr n ALA 44 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 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 1.93 1.99 0.00 0.00 7.64 -1.26 -4.83 113.62 119.10 1ntr n SER 45 Ca 0.00 -0.10 0.00 0.00 1.01 0.00 0.00 58.87 59.78 1ntr n SER 45 Cb 0.00 -0.46 0.00 0.00 -1.01 0.00 0.00 64.21 62.74 1ntr n SER 45 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1ntr n LYS 46 N -3.30 0.00 -2.45 1.43 3.00 -1.26 -4.84 118.16 110.74 1ntr n LYS 46 Ca -0.45 0.00 -0.26 0.00 -0.00 0.00 0.00 58.31 57.61 1ntr n LYS 46 Cb 0.99 0.00 0.03 0.00 0.00 0.00 0.00 35.03 36.06 1ntr n LYS 46 CO 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 177.40 177.32 1ntr s THR 47 N -2.00 3.43 -0.05 3.15 -1.32 -1.26 -4.87 115.64 112.72 1ntr s THR 47 Ca 0.00 -0.13 -0.03 0.00 -1.21 0.00 0.00 61.69 60.32 1ntr s THR 47 Cb 0.00 -3.36 -0.01 0.00 -1.51 0.00 0.00 72.50 67.62 1ntr s THR 47 CO 0.00 -0.36 -0.06 1.55 -2.21 0.00 0.00 174.62 173.55 1ntr h PRO 48 N -0.16 0.00 0.00 7.08 0.13 -2.02 -3.48 132.00 133.55 1ntr h PRO 48 Ca -0.45 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.68 1ntr h PRO 48 Cb 1.27 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.40 1ntr h PRO 48 CO 0.60 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 178.12 1ntr n ASP 49 N -3.11 0.00 -3.75 1.44 9.92 -0.89 -4.84 116.55 115.32 1ntr n ASP 49 Ca -0.02 0.00 -0.13 0.00 -0.53 0.00 0.00 54.79 54.11 1ntr n ASP 49 Cb 0.09 -0.12 -0.08 0.00 -0.64 0.00 0.00 41.12 40.37 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 -0.47 0.06 -0.16 2.53 1.01 -1.03 -4.81 120.40 117.53 1ntr s VAL 50 Ca 0.00 -0.52 -0.09 0.00 0.00 0.00 0.00 61.98 61.37 1ntr s VAL 50 Cb 0.00 -0.72 -0.05 0.00 0.00 0.00 0.00 36.38 35.62 1ntr s VAL 50 CO 0.00 -0.29 0.14 -0.22 0.00 0.00 0.00 175.10 174.73 1ntr s LEU 51 N -1.54 4.29 0.08 3.92 0.20 -1.07 -1.41 118.68 123.15 1ntr s LEU 51 Ca -0.11 0.35 0.07 0.00 0.69 0.00 0.00 54.13 55.13 1ntr s LEU 51 Cb -0.04 -2.09 -0.03 0.00 -0.43 0.00 0.00 46.19 43.60 1ntr s LEU 51 CO 0.02 0.28 -0.20 -0.76 -0.29 0.00 0.00 176.35 175.41 1ntr s LEU 52 N -0.27 2.25 -0.05 -0.68 1.43 -0.58 -0.31 118.68 120.46 1ntr s LEU 52 Ca 0.11 -0.61 0.00 0.00 -1.03 0.00 0.00 54.13 52.60 1ntr s LEU 52 Cb -0.12 -0.86 0.02 0.00 0.03 0.00 0.00 46.19 45.27 1ntr s LEU 52 CO 0.01 0.07 -0.03 -0.55 0.23 0.00 0.00 176.35 176.08 1ntr s SER 53 N -1.62 1.16 1.17 2.29 0.15 -0.94 -0.30 113.70 115.61 1ntr s SER 53 Ca 0.06 -0.12 -0.20 0.00 0.70 0.00 0.00 55.95 56.39 1ntr s SER 53 Cb -0.09 -0.45 0.28 0.00 -1.71 0.00 0.00 66.02 64.04 1ntr s SER 53 CO 0.03 -0.10 1.19 0.47 1.20 0.00 0.00 173.24 176.03 1ntr n ASP 54 N 4.41 -1.36 0.00 5.45 9.92 -1.05 -2.38 116.55 131.54 1ntr n ASP 54 Ca -0.19 -1.28 0.00 0.00 -0.53 0.00 0.00 54.79 52.78 1ntr n ASP 54 Cb 0.51 -1.02 0.00 0.00 -0.64 0.00 0.00 41.12 39.96 1ntr n ASP 54 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1ntr n ILE 55 N -4.54 0.00 1.28 0.53 0.13 -1.26 -4.80 119.36 110.70 1ntr n ILE 55 Ca 0.16 0.00 0.03 0.00 -1.10 0.00 0.00 62.75 61.84 1ntr n ILE 55 Cb 0.59 0.00 0.09 0.00 -0.84 0.00 0.00 39.64 39.48 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 0.00 1.51 -1.26 9.51 0.00 -1.26 -4.70 116.66 120.46 1ntr n ARG 56 Ca 0.00 -0.72 -0.43 0.00 -0.00 0.00 0.00 57.85 56.71 1ntr n ARG 56 Cb 0.00 -1.21 -0.03 0.00 -0.00 0.00 0.00 32.46 31.22 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 177.63 176.30 1ntr n MET 57 N 0.08 0.00 -1.68 2.89 0.00 -1.26 -4.64 117.12 112.51 1ntr n MET 57 Ca 0.07 0.00 -0.54 0.00 0.00 0.00 0.00 57.70 57.22 1ntr n MET 57 Cb 0.20 -0.90 -0.06 0.00 0.00 0.00 0.00 33.22 32.45 1ntr n MET 57 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 175.97 175.62 1ntr n PRO 58 N 0.93 1.35 0.00 0.03 -0.04 -1.26 -4.56 135.00 131.45 1ntr n PRO 58 Ca 0.16 0.49 0.00 0.00 -0.04 0.00 0.00 63.50 64.11 1ntr n PRO 58 Cb 0.24 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.50 1ntr n PRO 58 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ntr n GLY 59 N 3.80 2.72 0.00 0.55 0.00 -1.26 -4.40 105.19 106.60 1ntr n GLY 59 Ca 0.24 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1ntr n GLY 59 CO 0.00 0.00 0.00 1.15 0.00 0.00 0.00 173.32 174.47 1ntr n MET 60 N 14.00 2.91 -2.42 1.61 -0.00 -1.26 -4.91 117.12 127.05 1ntr n MET 60 Ca 0.00 0.00 -0.05 0.00 -0.00 0.00 0.00 57.70 57.65 1ntr n MET 60 Cb 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 33.22 33.18 1ntr n MET 60 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 1ntr n ASP 61 N 0.00 -0.77 -3.30 3.17 8.00 -1.26 -4.77 116.55 117.62 1ntr n ASP 61 Ca 0.00 1.16 -0.09 0.00 0.71 0.00 0.00 54.79 56.57 1ntr n ASP 61 Cb 0.00 -4.64 -0.05 0.00 -0.02 0.00 0.00 41.12 36.41 1ntr n ASP 61 CO 0.00 0.00 0.00 -0.83 -0.39 0.00 0.00 177.20 175.98 1ntr s GLY 62 N -0.56 -0.55 0.38 0.44 0.00 -1.26 -4.55 107.32 101.22 1ntr s GLY 62 Ca -0.24 -0.44 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 1ntr s GLY 62 CO 0.66 3.13 0.05 1.47 0.00 0.00 0.00 173.10 178.40 1ntr n LEU 63 N 4.36 -2.75 -4.65 0.66 -0.00 -1.26 -4.58 117.00 108.77 1ntr n LEU 63 Ca 0.11 0.72 -0.40 0.00 -0.00 0.00 0.00 56.01 56.44 1ntr n LEU 63 Cb 0.50 -0.80 -0.07 0.00 -0.00 0.00 0.00 43.42 43.05 1ntr n LEU 63 CO 0.05 -3.94 0.29 0.00 -0.00 0.00 0.00 177.39 173.79 1ntr s ALA 64 N -1.59 3.56 0.00 1.47 0.00 -1.26 -4.86 121.76 119.08 1ntr s ALA 64 Ca 0.54 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 52.10 1ntr s ALA 64 Cb -0.56 -2.88 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1ntr s ALA 64 CO 0.58 -0.55 0.00 1.28 0.00 0.00 0.00 175.76 177.07 1ntr n LEU 65 N 5.06 0.56 -0.34 0.00 4.77 -1.26 -4.85 117.00 120.94 1ntr n LEU 65 Ca -0.03 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 55.98 1ntr n LEU 65 Cb 0.50 0.00 0.10 0.00 -2.33 0.00 0.00 43.42 41.69 1ntr n LEU 65 CO 0.42 -0.03 0.65 -0.07 -1.33 0.00 0.00 177.39 177.03 1ntr h LEU 66 N 0.00 -1.00 -0.82 2.23 -0.00 -1.93 0.19 115.31 113.99 1ntr h LEU 66 Ca 0.00 0.28 0.16 0.00 -0.00 0.00 0.00 57.88 58.33 1ntr h LEU 66 Cb 0.29 0.62 -0.16 0.00 -0.00 0.00 0.00 40.66 41.41 1ntr h LEU 66 CO 0.00 -0.31 -0.21 0.07 -0.00 0.00 0.00 178.44 178.00 1ntr h LYS 67 N -0.01 -0.00 -0.26 1.13 2.10 -1.88 0.11 116.57 117.76 1ntr h LYS 67 Ca 0.42 0.00 -0.11 0.00 -2.00 0.00 0.00 60.65 58.96 1ntr h LYS 67 Cb 0.66 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.99 1ntr h LYS 67 CO -0.96 -0.00 -0.28 -0.56 -2.00 0.00 0.00 179.45 175.65 1ntr h GLN 68 N -0.00 0.65 -0.87 0.07 3.07 -1.00 -2.65 115.11 114.37 1ntr h GLN 68 Ca 0.39 -0.35 0.15 0.00 0.09 0.00 0.00 58.65 58.93 1ntr h GLN 68 Cb 0.60 0.02 -0.15 0.00 0.08 0.00 0.00 27.48 28.02 1ntr h GLN 68 CO -0.84 0.96 -0.28 -0.89 0.09 0.00 0.00 178.83 177.86 1ntr n ILE 69 N -4.30 -0.42 0.11 1.86 -0.00 0.37 -1.45 119.36 115.54 1ntr n ILE 69 Ca -0.04 2.03 -0.08 0.00 -0.00 0.00 0.00 62.75 64.65 1ntr n ILE 69 Cb 0.46 -2.74 -0.05 0.00 -0.00 0.00 0.00 39.64 37.32 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 -0.36 -0.84 0.38 6.56 -1.47 -0.36 116.57 120.47 1ntr h LYS 70 Ca 0.36 0.02 0.30 0.00 -1.06 0.00 0.00 60.65 60.27 1ntr h LYS 70 Cb 0.58 0.08 -0.09 0.00 -0.57 0.00 0.00 32.23 32.23 1ntr h LYS 70 CO -0.88 -0.11 0.54 1.04 -2.06 0.00 0.00 179.45 177.98 1ntr n GLN 71 N -5.02 -0.02 -0.09 3.15 6.02 -0.53 0.15 117.38 121.04 1ntr n GLN 71 Ca -0.06 0.79 -0.10 0.00 -0.01 0.00 0.00 57.00 57.62 1ntr n GLN 71 Cb 0.21 -1.55 -0.14 0.00 1.02 0.00 0.00 30.24 29.79 1ntr n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.01 0.00 0.00 177.06 173.92 1ntr n ARG 72 N -3.97 0.98 -0.65 -1.09 3.00 -0.84 -4.98 116.66 109.11 1ntr n ARG 72 Ca 0.25 0.00 -0.24 0.00 -0.00 0.00 0.00 57.85 57.87 1ntr n ARG 72 Cb 0.97 -1.47 0.21 0.00 0.00 0.00 0.00 32.46 32.17 1ntr n ARG 72 CO 0.00 0.00 0.00 0.72 0.00 0.00 0.00 177.63 178.35 1ntr n HIS 73 N -2.72 -3.63 -1.78 -0.14 8.25 0.41 -4.38 115.22 111.22 1ntr n HIS 73 Ca -0.31 -0.75 -0.25 0.00 -0.26 0.00 0.00 57.72 56.15 1ntr n HIS 73 Cb 1.08 -0.92 0.05 0.00 1.12 0.00 0.00 29.99 31.32 1ntr n HIS 73 CO 0.00 0.00 0.00 -0.35 0.64 0.00 0.00 176.34 176.63 1ntr n PRO 74 N -4.38 3.19 -2.76 -0.41 -0.04 -1.26 -4.89 135.00 124.45 1ntr n PRO 74 Ca 0.12 -3.83 -0.02 0.00 -0.04 0.00 0.00 63.50 59.72 1ntr n PRO 74 Cb 0.47 -2.24 0.00 0.00 -0.04 0.00 0.00 33.50 31.69 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 -0.81 -1.40 -4.49 0.54 2.81 -1.26 -5.06 117.12 107.46 1ntr n MET 75 Ca 0.48 1.51 -0.24 0.00 -1.81 0.00 0.00 57.70 57.64 1ntr n MET 75 Cb 0.88 -5.07 -0.08 0.00 -0.71 0.00 0.00 33.22 28.24 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 -3.25 1.97 0.11 4.03 0.05 -1.26 -5.10 118.68 115.23 1ntr s LEU 76 Ca 0.07 -1.64 -0.31 0.00 0.05 0.00 0.00 54.13 52.30 1ntr s LEU 76 Cb -0.02 -0.09 -0.08 0.00 -2.05 0.00 0.00 46.19 43.95 1ntr s LEU 76 CO 0.64 -0.90 1.43 -2.16 -0.55 0.00 0.00 176.35 174.81 1ntr s PRO 77 N -3.73 4.29 -0.30 1.48 0.04 -1.26 -4.93 135.00 130.59 1ntr s PRO 77 Ca 0.27 2.12 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 1ntr s PRO 77 Cb 0.03 -3.28 0.10 0.00 0.04 0.00 0.00 34.50 31.39 1ntr s PRO 77 CO 0.15 -0.49 0.10 0.08 0.04 0.00 0.00 177.00 176.88 1ntr s VAL 78 N 1.31 0.58 0.62 -0.36 1.01 -0.81 -2.58 120.40 120.17 1ntr s VAL 78 Ca 0.66 -1.16 -0.11 0.00 0.00 0.00 0.00 61.98 61.37 1ntr s VAL 78 Cb -0.38 -1.43 -0.03 0.00 0.00 0.00 0.00 36.38 34.54 1ntr s VAL 78 CO 0.30 -0.66 1.02 -0.63 0.00 0.00 0.00 175.10 175.14 1ntr s ILE 79 N 1.77 4.58 -0.01 2.22 -1.09 0.58 -4.68 121.20 124.57 1ntr s ILE 79 Ca 0.09 0.80 0.00 0.00 -2.23 0.00 0.00 60.65 59.30 1ntr s ILE 79 Cb -0.17 -3.82 0.01 0.00 -1.58 0.00 0.00 42.46 36.90 1ntr s ILE 79 CO -0.27 -1.07 0.01 -0.63 -1.23 0.00 0.00 174.94 171.74 1ntr s ILE 80 N -3.17 0.01 -1.01 2.92 1.09 -1.26 -2.21 121.20 117.56 1ntr s ILE 80 Ca 0.55 0.07 -0.22 0.00 -1.10 0.00 0.00 60.65 59.94 1ntr s ILE 80 Cb -0.11 -0.06 0.06 0.00 -1.06 0.00 0.00 42.46 41.29 1ntr s ILE 80 CO 0.53 0.04 1.41 -0.32 -0.10 0.00 0.00 174.94 176.50 1ntr s MET 81 N 0.40 3.60 0.64 2.79 1.75 -1.00 -2.35 119.30 125.12 1ntr s MET 81 Ca -0.03 -1.22 0.00 0.00 -1.25 0.00 0.00 55.69 53.19 1ntr s MET 81 Cb -0.05 -5.30 0.00 0.00 2.84 0.00 0.00 34.83 32.32 1ntr s MET 81 CO -0.01 -2.15 0.00 2.41 -0.65 0.00 0.00 175.02 174.62 1ntr n THR 82 N 6.70 0.00 0.00 10.11 -1.04 -0.31 -4.24 114.28 125.50 1ntr n THR 82 Ca 0.32 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.33 1ntr n THR 82 Cb 0.51 -0.26 0.00 0.00 -1.82 0.00 0.00 70.33 68.76 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 -1.41 0.00 -2.64 2.41 0.00 -1.26 -4.80 120.51 112.81 1ntr n ALA 83 Ca 0.01 0.00 -0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntr n ALA 83 Cb 0.35 0.00 0.05 0.00 0.00 0.00 0.00 19.45 19.85 1ntr n ALA 83 CO 0.00 0.00 0.00 1.58 0.00 0.00 0.00 177.50 179.08 1ntr n HIS 84 N -0.02 0.14 0.00 0.00 -0.00 -1.26 -4.90 115.22 109.17 1ntr n HIS 84 Ca 0.00 -1.53 0.00 0.00 0.46 0.00 0.00 57.72 56.65 1ntr n HIS 84 Cb 0.00 0.25 0.00 0.00 -0.12 0.00 0.00 29.99 30.12 1ntr n HIS 84 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1ntr n SER 85 N -0.51 0.00 0.18 0.26 7.64 -1.26 -4.73 113.62 115.20 1ntr n SER 85 Ca -0.02 0.00 0.13 0.00 1.01 0.00 0.00 58.87 59.99 1ntr n SER 85 Cb 0.88 0.00 0.39 0.00 -1.01 0.00 0.00 64.21 64.48 1ntr n SER 85 CO 0.00 0.00 0.00 -0.78 -3.01 0.00 0.00 175.04 171.25 1ntr h ASP 86 N 0.00 0.00 -1.22 6.43 3.58 -1.89 -3.31 116.42 120.00 1ntr h ASP 86 Ca 0.00 0.00 0.38 0.00 0.42 0.00 0.00 57.03 57.83 1ntr h ASP 86 Cb 0.00 0.00 -0.08 0.00 1.72 0.00 0.00 39.33 40.97 1ntr h ASP 86 CO 0.00 0.00 0.84 0.18 -2.88 0.00 0.00 179.24 177.38 1ntr n LEU 87 N -2.72 0.08 0.36 2.28 4.77 -1.26 0.52 117.00 121.03 1ntr n LEU 87 Ca 0.03 0.87 -0.17 0.00 -0.03 0.00 0.00 56.01 56.72 1ntr n LEU 87 Cb 0.41 -0.43 -0.08 0.00 -2.33 0.00 0.00 43.42 40.98 1ntr n LEU 87 CO 0.29 -0.91 0.54 -0.78 -1.33 0.00 0.00 177.39 175.20 1ntr h ASP 88 N 0.00 -0.78 0.72 -1.43 3.58 -1.99 0.38 116.42 116.89 1ntr h ASP 88 Ca 0.66 -0.00 -0.04 0.00 0.42 0.00 0.00 57.03 58.07 1ntr h ASP 88 Cb 2.41 0.20 0.01 0.00 1.72 0.00 0.00 39.33 43.67 1ntr h ASP 88 CO -0.18 -0.47 -0.34 0.00 -2.88 0.00 0.00 179.24 175.37 1ntr h ALA 89 N -0.85 -0.96 0.07 -0.78 0.00 -0.22 -3.04 119.26 113.47 1ntr h ALA 89 Ca -0.09 -0.21 0.00 0.00 0.00 0.00 0.00 54.91 54.60 1ntr h ALA 89 Cb 0.74 0.37 -0.01 0.00 0.00 0.00 0.00 17.79 18.89 1ntr h ALA 89 CO 0.15 -1.03 -0.17 0.00 0.00 0.00 0.00 179.25 178.21 1ntr h ALA 90 N -0.72 -0.74 -1.29 0.00 0.00 -1.51 -1.31 119.26 113.70 1ntr h ALA 90 Ca -0.10 -0.04 0.38 0.00 0.00 0.00 0.00 54.91 55.15 1ntr h ALA 90 Cb 0.75 0.55 -0.06 0.00 0.00 0.00 0.00 17.79 19.02 1ntr h ALA 90 CO 0.16 -0.78 0.91 0.28 0.00 0.00 0.00 179.25 179.82 1ntr n VAL 91 N -3.40 -0.04 -2.76 0.00 0.31 0.12 -4.28 118.33 108.28 1ntr n VAL 91 Ca -0.03 1.07 -0.20 0.00 -0.01 0.00 0.00 64.34 65.17 1ntr n VAL 91 Cb 0.14 -1.78 0.03 0.00 -0.91 0.00 0.00 33.84 31.32 1ntr n VAL 91 CO 0.00 0.00 0.00 -0.55 -1.32 0.00 0.00 176.83 174.96 1ntr s SER 92 N -4.00 5.34 -0.06 4.52 0.15 -0.49 -4.67 113.70 114.48 1ntr s SER 92 Ca -0.04 -0.19 -0.01 0.00 0.70 0.00 0.00 55.95 56.42 1ntr s SER 92 Cb 0.19 -0.72 0.00 0.00 -1.71 0.00 0.00 66.02 63.78 1ntr s SER 92 CO 0.61 -1.07 0.07 0.00 1.20 0.00 0.00 173.24 174.04 1ntr n ALA 93 N -2.21 -2.26 -0.66 5.45 0.00 -1.26 -4.45 120.51 115.12 1ntr n ALA 93 Ca 0.09 0.06 0.00 0.00 0.00 0.00 0.00 53.44 53.58 1ntr n ALA 93 Cb 0.60 -0.26 0.00 0.00 0.00 0.00 0.00 19.45 19.79 1ntr n ALA 93 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.50 178.16 1ntr n TYR 94 N -0.80 0.00 -2.42 0.00 4.01 -1.26 -4.72 117.16 111.98 1ntr n TYR 94 Ca 0.01 0.00 -0.15 0.00 -0.16 0.00 0.00 57.90 57.60 1ntr n TYR 94 Cb 0.29 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.32 1ntr n TYR 94 CO 0.00 0.00 0.00 0.94 -0.46 0.00 0.00 176.86 177.34 1ntr n GLN 95 N 0.00 -1.78 -0.12 -0.72 0.00 -1.26 -4.88 117.38 108.62 1ntr n GLN 95 Ca 0.00 0.67 0.04 0.00 -0.00 0.00 0.00 57.00 57.72 1ntr n GLN 95 Cb 0.00 -4.96 0.06 0.00 0.00 0.00 0.00 30.24 25.34 1ntr n GLN 95 CO 0.00 0.00 0.00 0.94 0.00 0.00 0.00 177.06 178.00 1ntr n GLN 96 N -2.55 1.39 0.00 3.69 7.27 -1.26 -5.05 117.38 120.86 1ntr n GLN 96 Ca -0.14 -1.78 0.00 0.00 0.07 0.00 0.00 57.00 55.14 1ntr n GLN 96 Cb 0.62 -1.08 0.00 0.00 2.41 0.00 0.00 30.24 32.19 1ntr n GLN 96 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1ntr n GLY 97 N -0.78 3.28 2.37 1.69 0.00 -1.26 -5.01 105.19 105.48 1ntr n GLY 97 Ca 0.07 -0.56 -0.12 0.00 0.00 0.00 0.00 46.02 45.41 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 -0.90 -0.47 -2.19 4.61 0.00 -1.26 -4.89 120.51 115.40 1ntr n ALA 98 Ca 0.00 0.14 -0.03 0.00 0.00 0.00 0.00 53.44 53.55 1ntr n ALA 98 Cb 0.00 -2.12 -0.03 0.00 0.00 0.00 0.00 19.45 17.30 1ntr n ALA 98 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 177.50 178.69 1ntr n PHE 99 N -3.94 0.00 -1.68 0.00 3.72 -1.26 -1.93 117.46 112.37 1ntr n PHE 99 Ca -0.08 -0.50 -0.47 0.00 -0.05 0.00 0.00 57.45 56.36 1ntr n PHE 99 Cb 0.57 0.24 -0.04 0.00 -0.94 0.00 0.00 39.48 39.31 1ntr n PHE 99 CO 0.00 0.00 0.00 -0.25 -0.05 0.00 0.00 176.76 176.46 1ntr n ASP 100 N 0.19 3.31 -4.74 4.37 9.92 -1.26 -4.89 116.55 123.45 1ntr n ASP 100 Ca -0.15 1.02 -0.41 0.00 -0.53 0.00 0.00 54.79 54.73 1ntr n ASP 100 Cb 0.87 -1.40 -0.05 0.00 -0.64 0.00 0.00 41.12 39.90 1ntr n ASP 100 CO 0.00 0.00 0.00 -0.31 0.13 0.00 0.00 177.20 177.02 1ntr s TYR 101 N 2.57 3.77 -0.32 1.24 1.51 -1.26 -4.36 117.35 120.51 1ntr s TYR 101 Ca 0.86 1.76 -0.05 0.00 -1.01 0.00 0.00 57.07 58.63 1ntr s TYR 101 Cb -0.68 -3.13 0.04 0.00 -0.11 0.00 0.00 41.96 38.08 1ntr s TYR 101 CO 0.45 -0.05 0.07 -0.51 -1.11 0.00 0.00 175.55 174.40 1ntr s LEU 102 N -0.59 4.10 -0.02 -1.29 1.43 -0.99 -4.97 118.68 116.35 1ntr s LEU 102 Ca 0.46 -1.08 -0.01 0.00 -1.03 0.00 0.00 54.13 52.47 1ntr s LEU 102 Cb -0.27 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.09 1ntr s LEU 102 CO 0.33 -0.28 0.06 -2.16 0.23 0.00 0.00 176.35 174.53 1ntr s PRO 103 N 1.39 3.04 0.65 1.29 0.04 -1.26 -1.16 135.00 138.99 1ntr s PRO 103 Ca -0.02 -0.47 -0.17 0.00 0.04 0.00 0.00 61.00 60.38 1ntr s PRO 103 Cb -0.19 -2.85 -0.00 0.00 0.04 0.00 0.00 34.50 31.50 1ntr s PRO 103 CO 0.02 0.66 1.22 0.15 0.04 0.00 0.00 177.00 179.09 1ntr s LYS 104 N -1.55 2.60 0.89 4.56 1.02 -1.26 -4.41 119.74 121.60 1ntr s LYS 104 Ca 0.21 1.84 -0.13 0.00 0.02 0.00 0.00 55.97 57.91 1ntr s LYS 104 Cb -0.12 -1.88 0.16 0.00 -0.52 0.00 0.00 37.83 35.47 1ntr s LYS 104 CO 0.11 -1.50 1.24 -1.25 -0.92 0.00 0.00 175.35 173.03 1ntr s PRO 105 N -3.56 1.14 -0.27 -1.68 0.04 -1.26 -5.16 135.00 124.26 1ntr s PRO 105 Ca 0.77 -0.33 -0.21 0.00 0.04 0.00 0.00 61.00 61.27 1ntr s PRO 105 Cb -0.31 -1.93 0.07 0.00 0.04 0.00 0.00 34.50 32.37 1ntr s PRO 105 CO 0.39 -2.06 0.69 -0.59 0.04 0.00 0.00 177.00 175.46 1ntr s PHE 106 N -3.71 -0.87 0.74 0.56 -0.71 -1.26 -5.15 117.98 107.58 1ntr s PHE 106 Ca 0.70 1.96 -0.13 0.00 -1.04 0.00 0.00 56.93 58.42 1ntr s PHE 106 Cb -0.06 0.39 0.18 0.00 -1.21 0.00 0.00 43.02 42.32 1ntr s PHE 106 CO 0.51 -0.43 0.85 -3.47 -1.34 0.00 0.00 175.22 171.35 1ntr n ASP 107 N 3.30 -0.64 -0.12 1.98 2.03 -1.26 -5.03 116.55 116.81 1ntr n ASP 107 Ca -0.16 -1.19 -0.24 0.00 0.52 0.00 0.00 54.79 53.72 1ntr n ASP 107 Cb 0.56 -0.70 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 1ntr n ASP 107 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ntr n ILE 108 N -3.60 1.26 -0.06 5.18 0.13 -1.26 -4.07 119.36 116.94 1ntr n ILE 108 Ca 0.11 -0.33 -0.13 0.00 -1.10 0.00 0.00 62.75 61.30 1ntr n ILE 108 Cb 0.40 -1.78 -0.06 0.00 -0.84 0.00 0.00 39.64 37.35 1ntr n ILE 108 CO 0.00 0.00 0.00 -0.78 2.80 0.00 0.00 176.55 178.57 1ntr h ASP 109 N -0.78 0.42 -0.97 9.51 3.58 -1.96 -0.82 116.42 125.41 1ntr h ASP 109 Ca -0.58 -0.46 0.21 0.00 0.42 0.00 0.00 57.03 56.62 1ntr h ASP 109 Cb 1.52 -0.12 -0.09 0.00 1.72 0.00 0.00 39.33 42.37 1ntr h ASP 109 CO -0.34 0.79 0.62 -0.08 -2.88 0.00 0.00 179.24 177.35 1ntr h GLU 110 N 0.06 0.52 0.00 0.28 4.57 -1.99 -0.40 114.58 117.62 1ntr h GLU 110 Ca 0.03 -0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1ntr h GLU 110 Cb 0.66 -0.12 0.00 0.00 -0.16 0.00 0.00 28.75 29.13 1ntr h GLU 110 CO 0.04 0.35 0.00 0.00 -1.18 0.00 0.00 179.01 178.21 1ntr n ALA 111 N -2.44 -0.17 -0.15 2.92 0.00 -1.00 -2.03 120.51 117.64 1ntr n ALA 111 Ca 0.22 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.62 1ntr n ALA 111 Cb 0.69 0.00 -0.03 0.00 0.00 0.00 0.00 19.45 20.11 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 -1.97 -0.24 0.11 0.00 0.31 -0.34 -1.35 118.33 114.85 1ntr n VAL 112 Ca 0.00 1.55 -0.15 0.00 -0.01 0.00 0.00 64.34 65.74 1ntr n VAL 112 Cb 0.00 -1.99 -0.09 0.00 -0.91 0.00 0.00 33.84 30.86 1ntr n VAL 112 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1ntr h ALA 113 N -0.30 -0.96 -0.72 3.52 0.00 -1.24 -1.30 119.26 118.25 1ntr h ALA 113 Ca 0.06 -0.10 0.08 0.00 0.00 0.00 0.00 54.91 54.94 1ntr h ALA 113 Cb 0.14 0.84 -0.10 0.00 0.00 0.00 0.00 17.79 18.68 1ntr h ALA 113 CO -0.32 -1.07 -0.38 -0.11 0.00 0.00 0.00 179.25 177.36 1ntr n LEU 114 N -5.12 -0.67 0.33 0.00 7.94 -0.46 0.38 117.00 119.40 1ntr n LEU 114 Ca -0.08 1.28 -0.17 0.00 -1.11 0.00 0.00 56.01 55.93 1ntr n LEU 114 Cb 0.37 -0.21 -0.09 0.00 0.53 0.00 0.00 43.42 44.02 1ntr n LEU 114 CO 0.14 -1.08 0.67 0.58 -1.11 0.00 0.00 177.39 176.59 1ntr h VAL 115 N 0.00 0.38 -1.45 1.96 2.07 -1.06 -2.10 116.25 116.05 1ntr h VAL 115 Ca 0.16 0.00 0.43 0.00 0.82 0.00 0.00 66.70 68.11 1ntr h VAL 115 Cb 0.34 0.38 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 1ntr h VAL 115 CO -0.69 0.00 1.02 1.21 0.02 0.00 0.00 177.57 179.13 1ntr n GLU 116 N -5.45 -0.01 -0.06 1.57 0.00 0.16 0.29 120.64 117.14 1ntr n GLU 116 Ca -0.13 0.88 -0.07 0.00 0.00 0.00 0.00 57.16 57.85 1ntr n GLU 116 Cb 0.34 -1.96 -0.05 0.00 0.00 0.00 0.00 31.44 29.78 1ntr n GLU 116 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.13 177.13 1ntr h ARG 117 N 0.00 0.00 -0.33 5.31 3.08 -0.66 -3.31 114.38 118.47 1ntr h ARG 117 Ca 0.73 0.00 0.04 0.00 0.07 0.00 0.00 59.98 60.82 1ntr h ARG 117 Cb 2.80 0.00 -0.07 0.00 0.08 0.00 0.00 29.97 32.78 1ntr h ARG 117 CO -0.09 0.36 -0.48 0.00 -1.07 0.00 0.00 179.97 178.69 1ntr h ALA 118 N -0.68 -0.74 -0.77 0.04 0.00 0.13 0.10 119.26 117.34 1ntr h ALA 118 Ca -0.03 -0.01 0.24 0.00 0.00 0.00 0.00 54.91 55.11 1ntr h ALA 118 Cb 0.48 1.06 -0.14 0.00 0.00 0.00 0.00 17.79 19.18 1ntr h ALA 118 CO -0.02 -0.96 0.12 -0.89 0.00 0.00 0.00 179.25 177.50 1ntr n ILE 119 N -5.02 -0.32 -1.55 0.00 5.41 -0.61 -0.29 119.36 116.98 1ntr n ILE 119 Ca -0.03 1.66 -0.33 0.00 1.00 0.00 0.00 62.75 65.05 1ntr n ILE 119 Cb 0.30 -2.50 -0.05 0.00 -0.71 0.00 0.00 39.64 36.69 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 -4.99 7.54 -0.11 4.38 7.64 0.36 -4.13 113.62 124.30 1ntr n SER 120 Ca 0.21 -2.88 0.01 0.00 1.01 0.00 0.00 58.87 57.22 1ntr n SER 120 Cb 0.70 -1.40 0.01 0.00 -1.01 0.00 0.00 64.21 62.51 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 2.23 0.00 -0.32 1.43 -0.00 0.61 -4.53 115.22 114.64 1ntr n HIS 121 Ca 0.62 -0.01 0.12 0.00 -0.00 0.00 0.00 57.72 58.44 1ntr n HIS 121 Cb 0.40 -0.00 0.32 0.00 -0.00 0.00 0.00 29.99 30.71 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 0.14 0.98 -0.98 1.57 4.02 -1.26 -4.44 117.16 117.19 1ntr n TYR 122 Ca 0.02 -0.49 -0.19 0.00 -0.01 0.00 0.00 57.90 57.23 1ntr n TYR 122 Cb 0.07 0.00 0.03 0.00 -0.02 0.00 0.00 39.34 39.43 1ntr n TYR 122 CO 0.00 0.00 0.00 1.04 -1.01 0.00 0.00 176.86 176.89 1ntr n GLN 123 N 1.64 1.93 0.00 -0.72 6.02 -1.26 -5.27 117.38 119.71 1ntr n GLN 123 Ca 0.24 -1.78 0.00 0.00 -0.01 0.00 0.00 57.00 55.46 1ntr n GLN 123 Cb 0.62 -1.72 0.00 0.00 1.02 0.00 0.00 30.24 30.16 1ntr n GLN 123 CO 0.00 0.00 0.00 -1.91 -1.01 0.00 0.00 177.06 174.14