#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 -0.93 -2.88 3.17 1.13 -1.26 -4.90 117.38 111.71 1ntr n GLN 2 Ca 0.00 1.09 -0.41 0.00 -1.94 0.00 0.00 57.00 55.74 1ntr n GLN 2 Cb 0.00 -1.51 0.01 0.00 0.11 0.00 0.00 30.24 28.85 1ntr n GLN 2 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ntr n ARG 3 N 0.33 4.74 -2.68 -1.09 3.00 -1.26 -4.56 116.66 115.14 1ntr n ARG 3 Ca -0.04 -4.61 -0.06 0.00 -0.00 0.00 0.00 57.85 53.14 1ntr n ARG 3 Cb 0.06 -2.48 0.06 0.00 0.00 0.00 0.00 32.46 30.10 1ntr n ARG 3 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1ntr n GLY 4 N 0.75 0.45 3.56 5.14 0.00 -1.26 -4.86 105.19 108.96 1ntr n GLY 4 Ca 0.34 -0.07 -0.37 0.00 0.00 0.00 0.00 46.02 45.92 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 0.13 3.74 -0.24 -0.61 1.01 -1.26 -1.66 121.20 122.30 1ntr s ILE 5 Ca 0.14 -0.48 -0.10 0.00 0.00 0.00 0.00 60.65 60.21 1ntr s ILE 5 Cb 0.26 -4.70 -0.05 0.00 0.01 0.00 0.00 42.46 37.98 1ntr s ILE 5 CO -0.06 -1.60 0.15 0.54 0.00 0.00 0.00 174.94 173.97 1ntr s VAL 6 N 6.68 5.22 -0.91 2.92 0.11 -0.38 -2.21 120.40 131.83 1ntr s VAL 6 Ca 0.53 0.13 -0.14 0.00 -2.93 0.00 0.00 61.98 59.57 1ntr s VAL 6 Cb -0.03 -3.44 0.22 0.00 -1.53 0.00 0.00 36.38 31.59 1ntr s VAL 6 CO -0.03 0.33 0.91 0.86 -3.33 0.00 0.00 175.10 173.84 1ntr s TRP 7 N 1.20 3.76 0.26 1.54 -0.11 -0.24 -0.70 118.94 124.65 1ntr s TRP 7 Ca 0.07 -2.04 -0.19 0.00 1.22 0.00 0.00 56.10 55.16 1ntr s TRP 7 Cb -0.14 -3.91 -0.09 0.00 -1.50 0.00 0.00 33.47 27.83 1ntr s TRP 7 CO 0.05 -1.07 0.76 0.08 -4.62 0.00 0.00 176.95 172.15 1ntr s VAL 8 N 0.32 4.55 0.29 5.86 1.01 -0.36 -1.13 120.40 130.94 1ntr s VAL 8 Ca 0.23 1.26 -0.06 0.00 0.00 0.00 0.00 61.98 63.41 1ntr s VAL 8 Cb -0.09 -3.80 -0.06 0.00 0.00 0.00 0.00 36.38 32.43 1ntr s VAL 8 CO -0.09 0.08 0.57 -0.69 0.00 0.00 0.00 175.10 174.97 1ntr s VAL 9 N -1.67 4.99 0.00 2.92 1.01 -0.32 -2.15 120.40 125.19 1ntr s VAL 9 Ca 0.47 0.16 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1ntr s VAL 9 Cb -0.15 -3.71 0.00 0.00 0.00 0.00 0.00 36.38 32.52 1ntr s VAL 9 CO 0.20 -0.29 0.00 -0.67 0.00 0.00 0.00 175.10 174.34 1ntr n ASP 10 N -0.83 0.00 0.00 3.32 -0.08 0.23 -1.89 116.55 117.31 1ntr n ASP 10 Ca -0.01 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.27 1ntr n ASP 10 Cb 0.54 0.00 0.00 0.00 2.34 0.00 0.00 41.12 44.00 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 0.00 0.09 -0.61 1.67 -0.08 -1.25 -3.66 116.55 112.72 1ntr n ASP 11 Ca 0.00 -0.40 0.07 0.00 -1.51 0.00 0.00 54.79 52.95 1ntr n ASP 11 Cb 0.00 0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.94 1ntr n ASP 11 CO 0.00 0.00 0.00 -0.67 0.12 0.00 0.00 177.20 176.65 1ntr n ASP 12 N -0.50 -3.61 -0.28 1.67 2.03 -1.26 -4.18 116.55 110.42 1ntr n ASP 12 Ca 0.00 0.55 -0.04 0.00 0.52 0.00 0.00 54.79 55.83 1ntr n ASP 12 Cb 0.02 -1.77 -0.02 0.00 -0.72 0.00 0.00 41.12 38.63 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 -4.23 -4.42 0.00 1.67 3.41 -1.26 -3.67 113.62 105.12 1ntr n SER 13 Ca 0.00 0.09 0.00 0.00 -0.26 0.00 0.00 58.87 58.70 1ntr n SER 13 Cb 0.23 -2.24 0.00 0.00 -0.26 0.00 0.00 64.21 61.95 1ntr n SER 13 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1ntr n SER 14 N -0.22 0.00 0.11 4.04 3.41 -1.26 -4.97 113.62 114.72 1ntr n SER 14 Ca -0.04 0.00 -0.21 0.00 -0.26 0.00 0.00 58.87 58.36 1ntr n SER 14 Cb 0.28 0.00 -0.15 0.00 -0.26 0.00 0.00 64.21 64.08 1ntr n SER 14 CO 0.00 0.00 0.00 0.40 -0.16 0.00 0.00 175.04 175.28 1ntr h ILE 15 N 0.00 1.20 -0.33 -1.33 1.08 -1.88 -2.47 117.51 113.78 1ntr h ILE 15 Ca 0.00 -2.73 -0.07 0.00 -0.39 0.00 0.00 64.86 61.67 1ntr h ILE 15 Cb 0.00 2.90 -0.02 0.00 -3.07 0.00 0.00 36.82 36.63 1ntr h ILE 15 CO 0.00 0.84 -0.11 -0.09 -0.69 0.00 0.00 178.15 178.10 1ntr h ARG 16 N 0.11 0.57 0.51 2.37 2.43 -1.84 -2.64 114.38 115.89 1ntr h ARG 16 Ca -0.26 -0.17 -0.03 0.00 -0.81 0.00 0.00 59.98 58.72 1ntr h ARG 16 Cb 2.09 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 31.59 1ntr h ARG 16 CO 0.22 0.67 -0.25 2.35 -1.51 0.00 0.00 179.97 181.46 1ntr h TRP 17 N 0.53 -0.64 -0.49 2.20 7.01 -1.95 -0.74 115.95 121.88 1ntr h TRP 17 Ca 0.10 -0.02 0.04 0.00 2.11 0.00 0.00 58.89 61.13 1ntr h TRP 17 Cb 0.50 0.21 -0.06 0.00 -2.10 0.00 0.00 29.16 27.71 1ntr h TRP 17 CO 0.02 -0.40 -0.30 0.28 -2.79 0.00 0.00 178.44 175.26 1ntr h VAL 18 N -0.92 0.00 0.00 2.65 2.07 -1.38 0.75 116.25 119.41 1ntr h VAL 18 Ca -0.07 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.45 1ntr h VAL 18 Cb 0.53 0.00 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 1ntr h VAL 18 CO 0.12 0.00 0.00 0.18 0.02 0.00 0.00 177.57 177.89 1ntr n LEU 19 N -4.12 0.02 -0.51 2.57 4.77 -1.00 -2.59 117.00 116.14 1ntr n LEU 19 Ca 0.01 0.71 0.39 0.00 -0.03 0.00 0.00 56.01 57.09 1ntr n LEU 19 Cb 0.13 -0.22 0.60 0.00 -2.33 0.00 0.00 43.42 41.60 1ntr n LEU 19 CO -0.08 -0.22 1.08 1.21 -1.33 0.00 0.00 177.39 178.06 1ntr n GLU 20 N -1.16 -0.00 0.21 3.23 2.13 -0.28 0.13 120.64 124.89 1ntr n GLU 20 Ca 0.00 0.83 -0.13 0.00 0.66 0.00 0.00 57.16 58.52 1ntr n GLU 20 Cb 0.00 -1.87 -0.07 0.00 0.27 0.00 0.00 31.44 29.76 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 -0.55 0.00 5.31 3.08 -0.64 -1.44 114.38 120.15 1ntr h ARG 21 Ca 0.70 0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.79 1ntr h ARG 21 Cb 2.72 0.12 0.00 0.00 0.08 0.00 0.00 29.97 32.90 1ntr h ARG 21 CO -0.06 -0.24 0.00 0.00 -1.07 0.00 0.00 179.97 178.60 1ntr n ALA 22 N -2.56 1.29 0.08 0.04 0.00 0.35 -1.14 120.51 118.58 1ntr n ALA 22 Ca -0.10 0.09 -0.02 0.00 0.00 0.00 0.00 53.44 53.41 1ntr n ALA 22 Cb 0.29 -1.26 -0.05 0.00 0.00 0.00 0.00 19.45 18.43 1ntr n ALA 22 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.50 177.43 1ntr h LEU 23 N 0.00 0.00 -1.17 0.00 -0.00 -0.39 -3.03 115.31 110.72 1ntr h LEU 23 Ca 0.00 0.00 0.07 0.00 -0.00 0.00 0.00 57.88 57.95 1ntr h LEU 23 Cb 0.13 0.00 -0.06 0.00 -0.00 0.00 0.00 40.66 40.73 1ntr h LEU 23 CO 0.00 0.72 0.58 0.00 -0.00 0.00 0.00 178.44 179.74 1ntr h ALA 24 N 1.28 1.55 0.00 1.53 0.00 -0.09 0.19 119.26 123.73 1ntr h ALA 24 Ca -0.05 -0.02 -0.17 0.00 0.00 0.00 0.00 54.91 54.67 1ntr h ALA 24 Cb 1.59 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 19.11 1ntr h ALA 24 CO 0.08 0.31 -1.00 0.78 0.00 0.00 0.00 179.25 179.42 1ntr h GLY 25 N 0.98 0.00 2.00 0.00 0.00 -1.68 -3.20 103.07 101.17 1ntr h GLY 25 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.72 1ntr h GLY 25 CO -0.15 0.00 0.00 0.00 0.00 0.00 0.00 176.54 176.39 1ntr h ALA 26 N 1.29 1.00 -2.39 3.60 0.00 -1.03 -3.47 119.26 118.27 1ntr h ALA 26 Ca -0.08 0.00 -0.14 0.00 0.00 0.00 0.00 54.91 54.69 1ntr h ALA 26 Cb 1.61 0.00 0.04 0.00 0.00 0.00 0.00 17.79 19.44 1ntr h ALA 26 CO 0.08 0.00 -0.23 0.41 0.00 0.00 0.00 179.25 179.51 1ntr n GLY 27 N 0.58 0.36 3.17 0.00 0.00 0.53 -5.02 105.19 104.81 1ntr n GLY 27 Ca 0.03 -0.39 -0.11 0.00 0.00 0.00 0.00 46.02 45.55 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 -3.01 2.12 -1.02 0.99 1.43 -1.08 -4.08 118.68 114.03 1ntr s LEU 28 Ca 0.17 -1.13 -0.06 0.00 -1.03 0.00 0.00 54.13 52.08 1ntr s LEU 28 Cb -0.07 0.11 0.25 0.00 0.03 0.00 0.00 46.19 46.51 1ntr s LEU 28 CO 0.21 -0.62 0.98 0.41 0.23 0.00 0.00 176.35 177.56 1ntr n THR 29 N -0.10 3.89 -2.62 5.49 -1.04 -0.66 -4.56 114.28 114.69 1ntr n THR 29 Ca -0.08 -5.28 -0.43 0.00 -2.04 0.00 0.00 64.05 56.22 1ntr n THR 29 Cb 0.63 -2.49 -0.00 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 4.00 4.50 -0.06 0.00 2.01 0.12 -4.13 115.64 122.08 1ntr s THR 31 Ca 0.53 1.80 0.04 0.00 0.31 0.00 0.00 61.69 64.37 1ntr s THR 31 Cb 0.03 -4.15 -0.00 0.00 0.01 0.00 0.00 72.50 68.39 1ntr s THR 31 CO 0.06 0.13 -0.19 0.42 -0.69 0.00 0.00 174.62 174.36 1ntr s THR 32 N 1.09 1.61 0.01 -0.82 -4.23 -1.26 -1.23 115.64 110.81 1ntr s THR 32 Ca 0.55 -0.80 0.01 0.00 -1.18 0.00 0.00 61.69 60.27 1ntr s THR 32 Cb -0.25 -1.38 -0.04 0.00 1.34 0.00 0.00 72.50 72.17 1ntr s THR 32 CO 0.28 0.46 0.03 -0.36 -0.54 0.00 0.00 174.62 174.49 1ntr s PHE 33 N 0.11 3.15 -1.18 3.99 0.40 -0.91 -4.62 117.98 118.92 1ntr s PHE 33 Ca -0.07 0.12 0.04 0.00 -0.60 0.00 0.00 56.93 56.42 1ntr s PHE 33 Cb -0.13 -1.68 0.21 0.00 0.51 0.00 0.00 43.02 41.92 1ntr s PHE 33 CO 0.04 0.50 1.07 -0.85 0.70 0.00 0.00 175.22 176.68 1ntr n GLU 34 N 1.22 0.03 -3.69 0.44 0.28 -1.26 -0.60 120.64 117.06 1ntr n GLU 34 Ca -0.13 0.35 -0.13 0.00 -0.16 0.00 0.00 57.16 57.09 1ntr n GLU 34 Cb 0.53 -1.50 -0.09 0.00 1.43 0.00 0.00 31.44 31.81 1ntr n GLU 34 CO 0.00 0.00 0.00 -0.80 -0.16 0.00 0.00 177.13 176.17 1ntr s ASN 35 N -2.82 -0.58 0.58 -1.84 -0.87 -1.24 -3.88 114.94 104.29 1ntr s ASN 35 Ca 0.03 1.08 0.28 0.00 -1.57 0.00 0.00 52.86 52.68 1ntr s ASN 35 Cb 0.03 1.08 1.61 0.00 -0.02 0.00 0.00 41.25 43.94 1ntr s ASN 35 CO 0.08 -0.19 2.08 1.23 -2.57 0.00 0.00 177.10 177.72 1ntr h GLY 36 N 5.58 0.00 0.00 0.66 0.00 -1.89 -2.86 103.07 104.56 1ntr h GLY 36 Ca -0.29 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.04 1ntr h GLY 36 CO 0.18 0.00 0.00 -2.01 0.00 0.00 0.00 176.54 174.71 1ntr n ASN 37 N -3.87 0.00 -0.28 0.19 2.85 -1.26 -1.62 115.26 111.27 1ntr n ASN 37 Ca 0.03 0.44 0.12 0.00 -0.11 0.00 0.00 54.58 55.05 1ntr n ASN 37 Cb 0.37 0.00 0.24 0.00 1.24 0.00 0.00 39.78 41.62 1ntr n ASN 37 CO 0.00 0.00 0.00 -0.62 -2.11 0.00 0.00 177.26 174.53 1ntr n GLU 38 N -0.52 -0.06 -0.08 1.20 -0.58 -1.15 0.77 120.64 120.21 1ntr n GLU 38 Ca 0.00 1.21 -0.08 0.00 -0.42 0.00 0.00 57.16 57.87 1ntr n GLU 38 Cb 0.00 -1.92 -0.02 0.00 -0.57 0.00 0.00 31.44 28.93 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 0.28 0.00 2.62 2.07 -1.32 0.53 116.25 120.43 1ntr h VAL 39 Ca 0.49 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.98 1ntr h VAL 39 Cb 1.00 0.28 -0.00 0.00 -1.52 0.00 0.00 31.29 31.04 1ntr h VAL 39 CO -0.76 0.00 -0.15 0.25 0.02 0.00 0.00 177.57 176.93 1ntr h LEU 40 N -0.27 0.00 -1.22 2.57 6.46 0.13 -1.03 115.31 121.95 1ntr h LEU 40 Ca 0.15 0.00 -0.03 0.00 -0.12 0.00 0.00 57.88 57.88 1ntr h LEU 40 Cb 0.52 0.00 -0.00 0.00 -0.73 0.00 0.00 40.66 40.45 1ntr h LEU 40 CO -0.47 0.15 -0.16 0.00 -0.62 0.00 0.00 178.44 177.34 1ntr h ALA 41 N 1.85 1.03 0.00 1.25 0.00 0.14 -2.22 119.26 121.31 1ntr h ALA 41 Ca -0.00 -0.15 -0.14 0.00 0.00 0.00 0.00 54.91 54.62 1ntr h ALA 41 Cb 0.34 -0.03 -0.03 0.00 0.00 0.00 0.00 17.79 18.08 1ntr h ALA 41 CO 0.02 0.20 -1.90 0.00 0.00 0.00 0.00 179.25 177.57 1ntr n ALA 42 N -2.19 2.23 1.20 0.00 0.00 -0.02 -4.10 120.51 117.63 1ntr n ALA 42 Ca 0.00 -0.73 0.13 0.00 0.00 0.00 0.00 53.44 52.84 1ntr n ALA 42 Cb 0.39 -0.66 0.44 0.00 0.00 0.00 0.00 19.45 19.62 1ntr n ALA 42 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1ntr n LEU 43 N -2.57 0.59 -0.63 0.00 4.32 -0.57 -4.07 117.00 114.07 1ntr n LEU 43 Ca -0.13 -0.02 0.49 0.00 -0.02 0.00 0.00 56.01 56.34 1ntr n LEU 43 Cb 0.79 -0.22 0.76 0.00 -1.62 0.00 0.00 43.42 43.13 1ntr n LEU 43 CO 0.44 0.12 1.46 0.00 -1.22 0.00 0.00 177.39 178.19 1ntr h ALA 44 N 3.39 3.74 0.09 -1.18 0.00 -1.55 1.31 119.26 125.05 1ntr h ALA 44 Ca 0.00 -0.06 -0.13 0.00 0.00 0.00 0.00 54.91 54.71 1ntr h ALA 44 Cb 0.46 0.14 0.01 0.00 0.00 0.00 0.00 17.79 18.39 1ntr h ALA 44 CO 0.00 -2.34 -0.60 0.77 0.00 0.00 0.00 179.25 177.08 1ntr h SER 45 N 0.00 0.28 0.00 0.00 0.02 -1.89 -3.49 113.55 108.47 1ntr h SER 45 Ca 0.87 -0.94 0.00 0.00 -0.84 0.00 0.00 61.79 60.87 1ntr h SER 45 Cb 3.66 -0.09 0.00 0.00 0.14 0.00 0.00 62.40 66.11 1ntr h SER 45 CO -0.01 1.28 0.00 0.29 -1.14 0.00 0.00 176.83 177.25 1ntr n LYS 46 N -4.29 0.00 -2.49 3.45 4.76 0.45 -5.05 118.16 115.00 1ntr n LYS 46 Ca -0.14 0.00 -0.26 0.00 -2.87 0.00 0.00 58.31 55.04 1ntr n LYS 46 Cb 0.71 0.00 0.03 0.00 -1.84 0.00 0.00 35.03 33.92 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 -2.00 3.80 0.00 -0.18 2.01 -1.26 -4.70 115.64 113.31 1ntr s THR 47 Ca 0.00 -0.04 0.00 0.00 0.31 0.00 0.00 61.69 61.96 1ntr s THR 47 Cb 0.00 -3.49 0.00 0.00 0.01 0.00 0.00 72.50 69.02 1ntr s THR 47 CO 0.00 -0.48 0.00 -0.81 -0.69 0.00 0.00 174.62 172.64 1ntr n PRO 48 N -2.49 0.00 0.00 4.92 -0.04 -1.26 -5.03 135.00 131.09 1ntr n PRO 48 Ca 0.04 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.50 1ntr n PRO 48 Cb 0.57 -0.34 0.00 0.00 -0.04 0.00 0.00 33.50 33.69 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 -2.32 0.00 -3.86 3.54 8.00 -0.94 -4.93 116.55 116.04 1ntr n ASP 49 Ca 0.00 0.00 -0.12 0.00 0.71 0.00 0.00 54.79 55.38 1ntr n ASP 49 Cb 0.00 -0.11 -0.11 0.00 -0.02 0.00 0.00 41.12 40.88 1ntr n ASP 49 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1ntr s VAL 50 N -0.47 0.05 -0.24 2.53 1.01 -1.04 -4.64 120.40 117.60 1ntr s VAL 50 Ca 0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 61.98 61.51 1ntr s VAL 50 Cb 0.00 -0.30 -0.04 0.00 0.00 0.00 0.00 36.38 36.04 1ntr s VAL 50 CO 0.00 -0.20 0.13 -0.22 0.00 0.00 0.00 175.10 174.81 1ntr s LEU 51 N -0.67 3.92 0.35 3.92 0.20 -1.08 -1.07 118.68 124.25 1ntr s LEU 51 Ca -0.08 0.03 0.08 0.00 0.69 0.00 0.00 54.13 54.85 1ntr s LEU 51 Cb -0.05 -2.05 -0.03 0.00 -0.43 0.00 0.00 46.19 43.63 1ntr s LEU 51 CO 0.01 0.05 0.24 -0.76 -0.29 0.00 0.00 176.35 175.59 1ntr s LEU 52 N 1.15 3.41 -0.14 -0.68 1.43 -0.29 -1.55 118.68 122.01 1ntr s LEU 52 Ca 0.06 -0.67 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1ntr s LEU 52 Cb -0.14 -1.96 0.06 0.00 0.03 0.00 0.00 46.19 44.18 1ntr s LEU 52 CO 0.05 -0.38 0.29 -0.44 0.23 0.00 0.00 176.35 176.09 1ntr s SER 53 N -3.95 0.13 1.01 2.29 0.01 -0.27 -1.17 113.70 111.74 1ntr s SER 53 Ca 0.41 0.66 -0.02 0.00 1.31 0.00 0.00 55.95 58.30 1ntr s SER 53 Cb -0.04 0.75 0.03 0.00 0.21 0.00 0.00 66.02 66.97 1ntr s SER 53 CO 0.25 -0.22 0.15 0.47 0.41 0.00 0.00 173.24 174.29 1ntr n ASP 54 N 5.13 -0.21 -3.28 2.44 9.92 -0.79 -1.74 116.55 128.01 1ntr n ASP 54 Ca -0.10 -0.96 -0.23 0.00 -0.53 0.00 0.00 54.79 52.96 1ntr n ASP 54 Cb 0.50 -0.12 -0.08 0.00 -0.64 0.00 0.00 41.12 40.79 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 -2.32 -1.02 -3.58 0.53 0.13 -1.26 -4.69 119.36 107.15 1ntr n ILE 55 Ca 0.02 -3.05 0.00 0.00 -1.10 0.00 0.00 62.75 58.62 1ntr n ILE 55 Cb 0.07 -1.23 0.00 0.00 -0.84 0.00 0.00 39.64 37.64 1ntr n ILE 55 CO 0.00 0.00 0.00 0.54 2.80 0.00 0.00 176.55 179.89 1ntr n ARG 56 N 2.80 2.50 -2.81 9.51 1.74 -1.26 -4.96 116.66 124.18 1ntr n ARG 56 Ca 0.28 0.00 -0.05 0.00 -0.77 0.00 0.00 57.85 57.30 1ntr n ARG 56 Cb 0.49 0.00 0.01 0.00 -1.02 0.00 0.00 32.46 31.94 1ntr n ARG 56 CO 0.00 0.00 0.00 -1.33 -1.52 0.00 0.00 177.63 174.78 1ntr n MET 57 N -0.08 -2.79 -2.07 5.56 2.81 -1.26 -4.65 117.12 114.64 1ntr n MET 57 Ca 0.00 2.37 -0.42 0.00 -1.81 0.00 0.00 57.70 57.83 1ntr n MET 57 Cb 0.00 -5.51 -0.03 0.00 -0.71 0.00 0.00 33.22 26.97 1ntr n MET 57 CO 0.00 0.00 0.00 -1.25 1.51 0.00 0.00 175.97 176.23 1ntr s PRO 58 N -2.24 4.19 0.00 0.03 0.04 -1.26 -4.65 135.00 131.12 1ntr s PRO 58 Ca 0.16 2.12 0.00 0.00 0.04 0.00 0.00 61.00 63.31 1ntr s PRO 58 Cb -0.04 -3.93 0.00 0.00 0.04 0.00 0.00 34.50 30.57 1ntr s PRO 58 CO 0.77 -0.81 0.00 0.41 0.04 0.00 0.00 177.00 177.41 1ntr n GLY 59 N 4.04 -0.32 0.00 0.56 0.00 -1.26 -5.08 105.19 103.13 1ntr n GLY 59 Ca 0.17 0.20 0.00 0.00 0.00 0.00 0.00 46.02 46.39 1ntr n GLY 59 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1ntr n MET 60 N -0.28 0.00 -0.04 1.61 0.00 -1.26 -4.89 117.12 112.26 1ntr n MET 60 Ca 0.00 0.00 0.10 0.00 -0.00 0.00 0.00 57.70 57.80 1ntr n MET 60 Cb 0.00 0.00 0.11 0.00 0.00 0.00 0.00 33.22 33.33 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 2.87 0.00 6.12 8.00 -1.26 -4.94 116.55 127.34 1ntr n ASP 61 Ca 0.00 -1.89 0.00 0.00 0.71 0.00 0.00 54.79 53.61 1ntr n ASP 61 Cb 0.00 -0.06 0.00 0.00 -0.02 0.00 0.00 41.12 41.04 1ntr n ASP 61 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1ntr n GLY 62 N 1.21 -0.39 0.00 0.44 0.00 -1.26 -0.41 105.19 104.78 1ntr n GLY 62 Ca 0.13 0.17 0.00 0.00 0.00 0.00 0.00 46.02 46.32 1ntr n GLY 62 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1ntr n LEU 63 N 0.00 0.00 0.00 0.99 -0.00 -1.26 -4.27 117.00 112.45 1ntr n LEU 63 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1ntr n LEU 63 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.42 1ntr n LEU 63 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.39 1ntr n ALA 64 N 0.00 0.00 0.00 1.47 0.00 -1.26 -4.84 120.51 115.88 1ntr n ALA 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1ntr n ALA 64 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.45 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 0.00 0.00 -0.17 0.00 4.77 -1.26 -4.44 117.00 115.90 1ntr n LEU 65 Ca 0.00 0.00 0.07 0.00 -0.03 0.00 0.00 56.01 56.05 1ntr n LEU 65 Cb 0.00 0.00 0.37 0.00 -2.33 0.00 0.00 43.42 41.46 1ntr n LEU 65 CO 0.00 0.00 1.21 0.25 -1.33 0.00 0.00 177.39 177.52 1ntr h LEU 66 N 0.00 0.64 -1.32 2.23 7.12 -1.94 0.37 115.31 122.40 1ntr h LEU 66 Ca 0.00 0.00 -0.07 0.00 0.13 0.00 0.00 57.88 57.95 1ntr h LEU 66 Cb 0.00 -0.13 -0.01 0.00 -0.53 0.00 0.00 40.66 39.99 1ntr h LEU 66 CO 0.00 0.41 -0.28 0.50 -0.13 0.00 0.00 178.44 178.94 1ntr h LYS 67 N 0.72 0.10 0.26 1.25 1.63 -1.87 -3.12 116.57 115.55 1ntr h LYS 67 Ca 0.31 -0.03 -0.01 0.00 -0.85 0.00 0.00 60.65 60.06 1ntr h LYS 67 Cb 0.28 -0.01 0.00 0.00 -0.60 0.00 0.00 32.23 31.90 1ntr h LYS 67 CO -0.10 0.37 -0.13 0.37 -3.45 0.00 0.00 179.45 176.52 1ntr h GLN 68 N 0.09 -0.34 -0.82 1.90 5.75 -0.69 -2.69 115.11 118.32 1ntr h GLN 68 Ca 0.01 0.02 0.24 0.00 -0.15 0.00 0.00 58.65 58.77 1ntr h GLN 68 Cb 0.54 0.08 -0.03 0.00 1.07 0.00 0.00 27.48 29.14 1ntr h GLN 68 CO 0.04 -0.23 1.05 1.51 -2.65 0.00 0.00 178.83 178.55 1ntr n ILE 69 N -3.55 0.00 -0.00 2.39 0.00 -0.26 -1.67 119.36 116.26 1ntr n ILE 69 Ca -0.04 1.07 -0.00 0.00 0.00 0.00 0.00 62.75 63.78 1ntr n ILE 69 Cb 0.14 -1.94 -0.00 0.00 0.00 0.00 0.00 39.64 37.84 1ntr n ILE 69 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1ntr h LYS 70 N 0.00 0.00 -1.47 9.51 1.63 -1.48 -3.01 116.57 121.75 1ntr h LYS 70 Ca 0.39 0.00 0.43 0.00 -0.85 0.00 0.00 60.65 60.62 1ntr h LYS 70 Cb 2.48 0.00 -0.06 0.00 -0.60 0.00 0.00 32.23 34.05 1ntr h LYS 70 CO -0.00 0.00 1.05 1.04 -3.45 0.00 0.00 179.45 178.09 1ntr n GLN 71 N -2.39 -0.00 -0.01 1.90 1.13 -0.67 -2.98 117.38 114.36 1ntr n GLN 71 Ca -0.00 0.82 -0.01 0.00 -1.94 0.00 0.00 57.00 55.87 1ntr n GLN 71 Cb 0.02 -1.88 -0.00 0.00 0.11 0.00 0.00 30.24 28.48 1ntr n GLN 71 CO 0.00 0.00 0.00 -2.13 -1.44 0.00 0.00 177.06 173.49 1ntr n ARG 72 N -3.49 0.05 -0.81 -1.09 3.00 -1.04 -5.02 116.66 108.26 1ntr n ARG 72 Ca 0.33 0.02 -0.26 0.00 -0.00 0.00 0.00 57.85 57.94 1ntr n ARG 72 Cb 1.50 -0.45 0.01 0.00 0.00 0.00 0.00 32.46 33.53 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 -2.29 0.00 -0.14 8.25 -1.14 -4.89 115.22 112.29 1ntr n HIS 73 Ca -0.01 0.24 0.00 0.00 -0.26 0.00 0.00 57.72 57.69 1ntr n HIS 73 Cb 0.05 -1.11 0.00 0.00 1.12 0.00 0.00 29.99 30.05 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 1.16 0.00 0.00 -0.41 -0.04 -1.26 -4.87 135.00 129.58 1ntr n PRO 74 Ca 0.04 0.02 0.00 0.00 -0.04 0.00 0.00 63.50 63.52 1ntr n PRO 74 Cb 0.33 -0.93 0.00 0.00 -0.04 0.00 0.00 33.50 32.86 1ntr n PRO 74 CO 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 175.50 175.46 1ntr n MET 75 N -0.45 0.00 -3.20 0.54 0.00 -1.26 -5.07 117.12 107.68 1ntr n MET 75 Ca 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 57.70 57.60 1ntr n MET 75 Cb 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 33.22 33.19 1ntr n MET 75 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 175.97 177.44 1ntr n LEU 76 N 0.00 0.00 -4.77 3.17 -0.00 -1.26 -5.14 117.00 109.00 1ntr n LEU 76 Ca 0.00 -1.89 -0.38 0.00 -0.00 0.00 0.00 56.01 53.74 1ntr n LEU 76 Cb 0.00 1.49 -0.06 0.00 -0.00 0.00 0.00 43.42 44.85 1ntr n LEU 76 CO 0.00 -0.40 0.68 -2.16 -0.00 0.00 0.00 177.39 175.51 1ntr s PRO 77 N -2.61 4.60 0.07 1.47 0.04 -1.26 -4.88 135.00 132.44 1ntr s PRO 77 Ca 0.21 1.45 0.01 0.00 0.04 0.00 0.00 61.00 62.70 1ntr s PRO 77 Cb -0.00 -2.93 -0.04 0.00 0.04 0.00 0.00 34.50 31.57 1ntr s PRO 77 CO 0.15 0.28 -0.06 0.14 0.04 0.00 0.00 177.00 177.55 1ntr s VAL 78 N -1.46 0.52 -0.01 -0.36 -7.23 -1.04 -2.63 120.40 108.18 1ntr s VAL 78 Ca 0.48 -1.72 -0.04 0.00 -1.81 0.00 0.00 61.98 58.89 1ntr s VAL 78 Cb -0.22 -1.41 0.00 0.00 0.56 0.00 0.00 36.38 35.31 1ntr s VAL 78 CO 0.28 -0.81 0.08 -0.63 -0.31 0.00 0.00 175.10 173.70 1ntr s ILE 79 N -3.26 0.05 -0.02 -0.62 1.01 -0.60 -3.82 121.20 113.95 1ntr s ILE 79 Ca 0.06 -0.41 0.05 0.00 0.00 0.00 0.00 60.65 60.34 1ntr s ILE 79 Cb 0.03 -0.25 -0.01 0.00 0.01 0.00 0.00 42.46 42.24 1ntr s ILE 79 CO -0.05 -0.23 -0.16 -0.51 0.00 0.00 0.00 174.94 174.00 1ntr s ILE 80 N -0.72 1.25 0.36 2.92 2.07 -1.26 -1.11 121.20 124.70 1ntr s ILE 80 Ca -0.08 -0.66 -0.26 0.00 -1.41 0.00 0.00 60.65 58.24 1ntr s ILE 80 Cb -0.05 -1.05 -0.09 0.00 0.13 0.00 0.00 42.46 41.40 1ntr s ILE 80 CO 0.00 0.36 1.15 -0.04 -1.91 0.00 0.00 174.94 174.49 1ntr s MET 81 N -0.26 4.25 0.69 3.50 -1.94 -0.71 -1.72 119.30 123.11 1ntr s MET 81 Ca 0.04 1.82 0.02 0.00 -1.71 0.00 0.00 55.69 55.85 1ntr s MET 81 Cb -0.07 -2.83 0.12 0.00 2.01 0.00 0.00 34.83 34.07 1ntr s MET 81 CO -0.00 -0.14 0.96 0.99 -0.01 0.00 0.00 175.02 176.81 1ntr s THR 82 N -1.36 2.10 0.00 2.05 2.01 -0.86 -4.66 115.64 114.92 1ntr s THR 82 Ca 0.53 -0.70 0.00 0.00 0.31 0.00 0.00 61.69 61.83 1ntr s THR 82 Cb -0.31 -2.40 0.00 0.00 0.01 0.00 0.00 72.50 69.81 1ntr s THR 82 CO 0.39 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.32 1ntr n ALA 83 N -2.71 0.00 0.02 7.40 0.00 -1.26 -4.95 120.51 119.01 1ntr n ALA 83 Ca 0.16 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.60 1ntr n ALA 83 Cb 0.61 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.06 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 0.00 -1.35 -3.73 0.00 -0.00 -1.26 -5.09 115.22 103.79 1ntr n HIS 84 Ca 0.00 0.13 -0.38 0.00 -0.00 0.00 0.00 57.72 57.47 1ntr n HIS 84 Cb 0.00 0.51 -0.12 0.00 -0.00 0.00 0.00 29.99 30.38 1ntr n HIS 84 CO 0.00 0.00 0.00 -1.12 -0.00 0.00 0.00 176.34 175.22 1ntr s SER 85 N -2.00 5.36 0.00 0.26 0.01 -1.26 -4.59 113.70 111.48 1ntr s SER 85 Ca 0.00 -1.30 0.00 0.00 1.31 0.00 0.00 55.95 55.96 1ntr s SER 85 Cb 0.00 -1.88 0.00 0.00 0.21 0.00 0.00 66.02 64.35 1ntr s SER 85 CO 0.00 -0.39 0.00 -0.90 0.41 0.00 0.00 173.24 172.36 1ntr n ASP 86 N 4.81 0.00 -0.51 2.44 5.75 0.45 -4.16 116.55 125.32 1ntr n ASP 86 Ca -0.11 0.00 0.39 0.00 -0.01 0.00 0.00 54.79 55.06 1ntr n ASP 86 Cb 0.44 0.00 0.61 0.00 -1.03 0.00 0.00 41.12 41.13 1ntr n ASP 86 CO 0.00 0.00 0.00 -0.11 -0.11 0.00 0.00 177.20 176.98 1ntr n LEU 87 N 0.00 0.03 0.00 -2.12 7.94 -1.26 -1.00 117.00 120.58 1ntr n LEU 87 Ca 0.00 0.80 0.00 0.00 -1.11 0.00 0.00 56.01 55.70 1ntr n LEU 87 Cb 0.00 -0.40 0.00 0.00 0.53 0.00 0.00 43.42 43.55 1ntr n LEU 87 CO 0.00 -0.81 0.36 -0.67 -1.11 0.00 0.00 177.39 175.16 1ntr n ASP 88 N -3.57 0.00 -0.30 1.96 2.03 -1.26 -0.60 116.55 114.81 1ntr n ASP 88 Ca 0.33 0.79 0.09 0.00 0.52 0.00 0.00 54.79 56.53 1ntr n ASP 88 Cb 1.48 -0.38 0.21 0.00 -0.72 0.00 0.00 41.12 41.70 1ntr n ASP 88 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1ntr h ALA 89 N -2.00 0.93 -1.89 -1.67 0.00 -1.43 -1.42 119.26 111.79 1ntr h ALA 89 Ca 0.00 0.29 0.00 0.00 0.00 0.00 0.00 54.91 55.20 1ntr h ALA 89 Cb 0.00 0.50 0.00 0.00 0.00 0.00 0.00 17.79 18.29 1ntr h ALA 89 CO 0.00 -0.47 0.00 0.00 0.00 0.00 0.00 179.25 178.78 1ntr n ALA 90 N -3.06 -0.16 -0.43 0.00 0.00 -1.03 -2.91 120.51 112.91 1ntr n ALA 90 Ca 0.17 0.00 0.34 0.00 0.00 0.00 0.00 53.44 53.95 1ntr n ALA 90 Cb 0.58 0.00 0.53 0.00 0.00 0.00 0.00 19.45 20.57 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 -1.05 -0.06 -0.51 0.00 0.31 0.23 -4.19 118.33 113.05 1ntr n VAL 91 Ca 0.00 1.11 0.00 0.00 -0.01 0.00 0.00 64.34 65.44 1ntr n VAL 91 Cb 0.00 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.10 1ntr n VAL 91 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1ntr n SER 92 N -3.59 0.00 -3.21 4.52 3.41 -0.56 -3.74 113.62 110.46 1ntr n SER 92 Ca 0.30 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.81 1ntr n SER 92 Cb 1.28 0.00 0.03 0.00 -0.26 0.00 0.00 64.21 65.27 1ntr n SER 92 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1ntr n ALA 93 N -3.00 -2.51 -0.86 7.33 0.00 -1.25 -1.83 120.51 118.38 1ntr n ALA 93 Ca 0.00 0.04 0.00 0.00 0.00 0.00 0.00 53.44 53.48 1ntr n ALA 93 Cb 0.00 -3.62 0.00 0.00 0.00 0.00 0.00 19.45 15.83 1ntr n ALA 93 CO 0.00 0.00 0.00 0.98 0.00 0.00 0.00 177.50 178.48 1ntr n TYR 94 N -2.62 0.00 0.00 0.00 9.36 -1.26 -4.81 117.16 117.83 1ntr n TYR 94 Ca -0.05 0.00 0.00 0.00 3.32 0.00 0.00 57.90 61.17 1ntr n TYR 94 Cb 0.57 -0.27 0.00 0.00 -0.63 0.00 0.00 39.34 39.01 1ntr n TYR 94 CO 0.00 0.00 0.00 1.04 0.22 0.00 0.00 176.86 178.12 1ntr n GLN 95 N -2.00 0.00 -1.69 2.98 6.02 -0.76 -4.17 117.38 117.76 1ntr n GLN 95 Ca 0.00 0.00 -0.37 0.00 -0.01 0.00 0.00 57.00 56.62 1ntr n GLN 95 Cb 0.00 0.00 -0.03 0.00 1.02 0.00 0.00 30.24 31.23 1ntr n GLN 95 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 1ntr s GLN 96 N 0.00 2.27 0.00 -1.09 -0.21 -1.26 -4.70 119.66 114.67 1ntr s GLN 96 Ca 0.00 1.22 0.00 0.00 0.02 0.00 0.00 55.36 56.60 1ntr s GLN 96 Cb 0.00 -4.52 0.00 0.00 1.00 0.00 0.00 33.01 29.49 1ntr s GLN 96 CO 0.00 -3.09 0.00 0.41 -2.12 0.00 0.00 175.29 170.49 1ntr n GLY 97 N 5.91 3.32 2.40 3.09 0.00 -1.26 -5.08 105.19 113.57 1ntr n GLY 97 Ca 0.32 -0.15 -0.26 0.00 0.00 0.00 0.00 46.02 45.93 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 3.22 -2.86 4.61 0.00 -1.26 -5.08 120.51 116.14 1ntr n ALA 98 Ca 0.00 -4.00 -0.25 0.00 0.00 0.00 0.00 53.44 49.19 1ntr n ALA 98 Cb 0.00 -0.86 -0.16 0.00 0.00 0.00 0.00 19.45 18.43 1ntr n ALA 98 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 177.50 177.44 1ntr s PHE 99 N -1.51 1.57 -0.39 0.00 0.08 -1.26 -2.51 117.98 113.97 1ntr s PHE 99 Ca 0.35 -0.42 0.01 0.00 0.12 0.00 0.00 56.93 56.99 1ntr s PHE 99 Cb 0.11 -1.06 0.14 0.00 -0.57 0.00 0.00 43.02 41.65 1ntr s PHE 99 CO -0.10 -0.13 0.23 -0.51 -0.10 0.00 0.00 175.22 174.61 1ntr s ASP 100 N -0.01 3.20 0.10 1.36 1.01 -1.25 -5.05 116.67 116.03 1ntr s ASP 100 Ca -0.02 -2.39 -0.31 0.00 0.71 0.00 0.00 52.55 50.54 1ntr s ASP 100 Cb -0.10 -0.66 -0.17 0.00 1.01 0.00 0.00 42.92 43.00 1ntr s ASP 100 CO 0.01 -0.29 0.70 0.00 0.21 0.00 0.00 175.17 175.81 1ntr n TYR 101 N 3.80 0.01 -4.08 4.23 0.18 -1.26 -4.43 117.16 115.61 1ntr n TYR 101 Ca 0.11 0.93 -0.34 0.00 1.88 0.00 0.00 57.90 60.47 1ntr n TYR 101 Cb 0.36 -1.85 -0.14 0.00 -0.38 0.00 0.00 39.34 37.33 1ntr n TYR 101 CO 0.00 0.00 0.00 -1.17 -2.08 0.00 0.00 176.86 173.61 1ntr s LEU 102 N 1.53 2.77 0.00 -3.48 0.20 -0.70 -4.92 118.68 114.08 1ntr s LEU 102 Ca 0.70 -0.41 0.01 0.00 0.69 0.00 0.00 54.13 55.11 1ntr s LEU 102 Cb -0.99 -1.68 -0.00 0.00 -0.43 0.00 0.00 46.19 43.08 1ntr s LEU 102 CO 0.52 0.02 0.03 -0.81 -0.29 0.00 0.00 176.35 175.81 1ntr n PRO 103 N 4.54 0.95 -3.97 0.98 -0.04 -1.26 -2.03 135.00 134.17 1ntr n PRO 103 Ca -0.19 -2.89 -0.24 0.00 -0.04 0.00 0.00 63.50 60.14 1ntr n PRO 103 Cb 0.51 0.94 -0.03 0.00 -0.04 0.00 0.00 33.50 34.88 1ntr n PRO 103 CO 0.00 0.00 0.00 0.15 -0.04 0.00 0.00 175.50 175.61 1ntr s LYS 104 N -3.40 3.38 0.44 0.54 3.01 -1.26 -4.41 119.74 118.03 1ntr s LYS 104 Ca 0.04 -0.69 0.04 0.00 -1.01 0.00 0.00 55.97 54.35 1ntr s LYS 104 Cb 0.00 -2.90 0.01 0.00 -1.01 0.00 0.00 37.83 33.93 1ntr s LYS 104 CO 0.03 0.48 0.62 -1.25 0.51 0.00 0.00 175.35 175.74 1ntr s PRO 105 N -3.50 2.88 -0.17 -1.68 0.04 -1.26 -5.21 135.00 126.10 1ntr s PRO 105 Ca 0.34 -0.91 -0.29 0.00 0.04 0.00 0.00 61.00 60.19 1ntr s PRO 105 Cb -0.10 -2.66 0.10 0.00 0.04 0.00 0.00 34.50 31.87 1ntr s PRO 105 CO 0.28 -0.30 0.85 -0.59 0.04 0.00 0.00 177.00 177.29 1ntr s PHE 106 N -2.45 -0.55 0.35 0.56 -0.12 -1.26 -5.14 117.98 109.36 1ntr s PHE 106 Ca 0.52 1.11 -0.26 0.00 -0.05 0.00 0.00 56.93 58.25 1ntr s PHE 106 Cb -0.10 0.39 -0.09 0.00 -0.63 0.00 0.00 43.02 42.59 1ntr s PHE 106 CO 0.35 -0.41 1.04 0.34 -0.05 0.00 0.00 175.22 176.48 1ntr s ASP 107 N -0.63 7.01 0.12 1.98 -1.08 -1.26 -4.92 116.67 117.88 1ntr s ASP 107 Ca -0.04 2.06 -0.20 0.00 -0.52 0.00 0.00 52.55 53.85 1ntr s ASP 107 Cb -0.02 -2.60 -0.08 0.00 -1.46 0.00 0.00 42.92 38.76 1ntr s ASP 107 CO 0.03 -0.31 1.77 -0.29 0.52 0.00 0.00 175.17 176.88 1ntr h ILE 108 N 2.52 1.05 0.25 4.11 6.09 -1.98 0.57 117.51 130.11 1ntr h ILE 108 Ca -0.47 -0.09 -0.01 0.00 -1.37 0.00 0.00 64.86 62.91 1ntr h ILE 108 Cb 1.21 0.81 0.00 0.00 0.47 0.00 0.00 36.82 39.31 1ntr h ILE 108 CO 0.64 0.05 -0.12 -0.78 -3.07 0.00 0.00 178.15 174.87 1ntr h ASP 109 N 0.22 -0.28 -1.19 2.19 3.58 -1.92 -1.85 116.42 117.17 1ntr h ASP 109 Ca 0.06 -0.25 0.35 0.00 0.42 0.00 0.00 57.03 57.61 1ntr h ASP 109 Cb -0.02 0.07 -0.05 0.00 1.72 0.00 0.00 39.33 41.06 1ntr h ASP 109 CO -0.01 0.18 0.94 -0.08 -2.88 0.00 0.00 179.24 177.39 1ntr h GLU 110 N -0.83 0.00 0.00 0.28 4.57 -1.94 -0.19 114.58 116.47 1ntr h GLU 110 Ca -0.03 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.15 1ntr h GLU 110 Cb 0.51 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 29.10 1ntr h GLU 110 CO 0.06 0.00 0.00 0.00 -1.18 0.00 0.00 179.01 177.89 1ntr n ALA 111 N -2.66 -0.02 -0.34 2.92 0.00 0.19 -2.26 120.51 118.33 1ntr n ALA 111 Ca 0.26 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.58 1ntr n ALA 111 Cb 1.33 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 20.68 1ntr n ALA 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 1ntr h VAL 112 N 0.00 0.00 -0.57 0.00 2.07 -0.89 -0.54 116.25 116.32 1ntr h VAL 112 Ca 0.00 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.57 1ntr h VAL 112 Cb 0.00 0.00 -0.08 0.00 -1.52 0.00 0.00 31.29 29.69 1ntr h VAL 112 CO 0.00 0.00 -0.43 0.00 0.02 0.00 0.00 177.57 177.16 1ntr h ALA 113 N 0.33 -0.51 -0.75 1.67 0.00 -1.22 0.18 119.26 118.97 1ntr h ALA 113 Ca 0.14 0.05 0.15 0.00 0.00 0.00 0.00 54.91 55.24 1ntr h ALA 113 Cb 0.44 1.18 -0.14 0.00 0.00 0.00 0.00 17.79 19.27 1ntr h ALA 113 CO -0.84 -0.78 -0.20 -0.11 0.00 0.00 0.00 179.25 177.33 1ntr n LEU 114 N -4.68 -0.29 0.23 0.00 -0.00 -0.24 0.18 117.00 112.20 1ntr n LEU 114 Ca -0.00 1.29 -0.15 0.00 -0.00 0.00 0.00 56.01 57.15 1ntr n LEU 114 Cb 0.22 -0.38 -0.08 0.00 -0.00 0.00 0.00 43.42 43.18 1ntr n LEU 114 CO -0.07 -1.23 0.74 1.62 -0.00 0.00 0.00 177.39 178.45 1ntr h VAL 115 N 0.00 0.60 -0.72 1.96 3.04 -0.37 -2.56 116.25 118.20 1ntr h VAL 115 Ca 0.35 0.00 0.28 0.00 -1.01 0.00 0.00 66.70 66.32 1ntr h VAL 115 Cb 0.54 0.60 -0.13 0.00 -2.01 0.00 0.00 31.29 30.29 1ntr h VAL 115 CO -0.77 0.00 0.31 1.21 -1.01 0.00 0.00 177.57 177.31 1ntr n GLU 116 N -5.32 -0.05 0.17 4.17 2.13 0.48 0.86 120.64 123.09 1ntr n GLU 116 Ca -0.11 1.02 -0.14 0.00 0.66 0.00 0.00 57.16 58.59 1ntr n GLU 116 Cb 0.23 -1.78 -0.08 0.00 0.27 0.00 0.00 31.44 30.08 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 -0.36 -0.08 5.31 3.08 -1.11 -3.02 114.38 118.20 1ntr h ARG 117 Ca 0.58 0.02 0.04 0.00 0.07 0.00 0.00 59.98 60.69 1ntr h ARG 117 Cb 1.47 0.08 -0.06 0.00 0.08 0.00 0.00 29.97 31.54 1ntr h ARG 117 CO -0.59 -0.17 -0.30 0.00 -1.07 0.00 0.00 179.97 177.84 1ntr h ALA 118 N 0.22 -0.37 -1.25 0.04 0.00 0.42 -0.05 119.26 118.26 1ntr h ALA 118 Ca -0.04 0.01 0.41 0.00 0.00 0.00 0.00 54.91 55.29 1ntr h ALA 118 Cb 0.36 0.56 -0.10 0.00 0.00 0.00 0.00 17.79 18.61 1ntr h ALA 118 CO 0.06 -0.79 0.83 -0.89 0.00 0.00 0.00 179.25 178.46 1ntr n ILE 119 N -5.40 -0.16 0.54 0.00 5.41 -0.91 0.39 119.36 119.23 1ntr n ILE 119 Ca -0.04 1.41 0.00 0.00 1.00 0.00 0.00 62.75 65.12 1ntr n ILE 119 Cb 0.32 -2.32 0.00 0.00 -0.71 0.00 0.00 39.64 36.92 1ntr n ILE 119 CO 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 176.55 176.31 1ntr n SER 120 N -4.15 0.83 -3.30 4.38 2.88 -0.03 -4.75 113.62 109.50 1ntr n SER 120 Ca 0.34 -1.07 -0.24 0.00 -1.33 0.00 0.00 58.87 56.57 1ntr n SER 120 Cb 1.37 -0.27 0.01 0.00 -0.75 0.00 0.00 64.21 64.58 1ntr n SER 120 CO 0.00 0.00 0.00 1.57 -1.23 0.00 0.00 175.04 175.38 1ntr n HIS 121 N 0.37 -1.92 -3.63 0.66 -0.00 0.16 -2.17 115.22 108.69 1ntr n HIS 121 Ca 0.00 0.53 -0.19 0.00 0.46 0.00 0.00 57.72 58.52 1ntr n HIS 121 Cb 0.17 -3.60 -0.06 0.00 -0.12 0.00 0.00 29.99 26.38 1ntr n HIS 121 CO 0.00 0.00 0.00 0.66 0.46 0.00 0.00 176.34 177.46 1ntr n TYR 122 N -4.22 -0.77 0.29 1.57 4.02 -1.16 -4.71 117.16 112.17 1ntr n TYR 122 Ca -0.04 0.35 0.14 0.00 -0.01 0.00 0.00 57.90 58.34 1ntr n TYR 122 Cb 0.57 -1.71 0.84 0.00 -0.02 0.00 0.00 39.34 39.02 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 -0.69 0.00 -0.01 -0.72 4.20 -1.77 -3.53 115.11 112.59 1ntr h GLN 123 Ca -0.40 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.31 1ntr h GLN 123 Cb 0.85 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.63 1ntr h GLN 123 CO 0.43 0.03 0.00 0.39 -0.67 0.00 0.00 178.83 179.01