#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1q4j s ASN 4 N 0.00 6.71 -0.21 1.67 6.03 -1.26 -4.75 114.94 123.13 1q4j s ASN 4 Ca 0.00 2.33 -0.16 0.00 -1.03 0.00 0.00 52.86 54.00 1q4j s ASN 4 Cb 0.00 -2.56 -0.04 0.00 -3.03 0.00 0.00 41.25 35.62 1q4j s ASN 4 CO 0.00 -0.81 0.41 -0.63 -2.03 0.00 0.00 177.10 174.05 1q4j s ILE 5 N 2.43 5.18 -0.09 0.54 1.01 -1.26 -2.44 121.20 126.57 1q4j s ILE 5 Ca 0.69 0.72 0.03 0.00 0.00 0.00 0.00 60.65 62.09 1q4j s ILE 5 Cb -0.36 -3.74 0.01 0.00 0.01 0.00 0.00 42.46 38.38 1q4j s ILE 5 CO 0.30 0.23 -0.17 -0.69 0.00 0.00 0.00 174.94 174.60 1q4j s VAL 6 N 1.46 1.59 -0.19 2.92 1.01 0.20 -0.79 120.40 126.59 1q4j s VAL 6 Ca 0.19 -0.72 -0.08 0.00 0.00 0.00 0.00 61.98 61.37 1q4j s VAL 6 Cb -0.15 -1.42 -0.04 0.00 0.00 0.00 0.00 36.38 34.77 1q4j s VAL 6 CO 0.08 0.46 0.07 -0.22 0.00 0.00 0.00 175.10 175.49 1q4j s LEU 7 N 0.68 3.83 -0.15 3.92 2.96 0.08 -0.54 118.68 129.46 1q4j s LEU 7 Ca -0.13 0.08 0.01 0.00 -0.22 0.00 0.00 54.13 53.87 1q4j s LEU 7 Cb -0.16 -1.97 0.01 0.00 0.50 0.00 0.00 46.19 44.56 1q4j s LEU 7 CO 0.03 0.17 -0.19 -0.31 -1.32 0.00 0.00 176.35 174.73 1q4j s TYR 8 N 0.42 2.73 0.35 5.38 1.51 -0.14 -0.61 117.35 127.00 1q4j s TYR 8 Ca 0.03 -1.28 -0.17 0.00 -1.01 0.00 0.00 57.07 54.65 1q4j s TYR 8 Cb -0.12 -1.87 0.04 0.00 -0.11 0.00 0.00 41.96 39.90 1q4j s TYR 8 CO 0.00 -0.59 0.76 -0.47 -1.11 0.00 0.00 175.55 174.14 1q4j s TYR 9 N 0.91 0.04 0.90 2.71 6.04 -0.69 -2.09 117.35 125.17 1q4j s TYR 9 Ca -0.04 -0.65 -0.12 0.00 0.04 0.00 0.00 57.07 56.30 1q4j s TYR 9 Cb -0.15 0.79 0.13 0.00 -1.04 0.00 0.00 41.96 41.69 1q4j s TYR 9 CO -0.03 -1.47 1.11 -0.06 -1.54 0.00 0.00 175.55 173.56 1q4j s PHE 10 N -2.79 2.47 -1.12 4.97 0.40 -1.26 -0.41 117.98 120.24 1q4j s PHE 10 Ca 0.14 1.03 -0.20 0.00 -0.60 0.00 0.00 56.93 57.30 1q4j s PHE 10 Cb -0.05 -3.25 -0.06 0.00 0.51 0.00 0.00 43.02 40.17 1q4j s PHE 10 CO 0.10 -2.34 1.97 -3.47 0.70 0.00 0.00 175.22 172.18 1q4j n ASP 11 N -3.79 3.38 -3.73 1.36 4.64 -0.89 -4.49 116.55 113.03 1q4j n ASP 11 Ca 0.06 -2.76 -0.04 0.00 -1.38 0.00 0.00 54.79 50.68 1q4j n ASP 11 Cb 0.57 -1.49 -0.01 0.00 -1.04 0.00 0.00 41.12 39.15 1q4j n ASP 11 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1q4j s ALA 12 N 5.81 -1.70 -0.01 -1.67 0.00 -1.26 -4.89 121.76 118.04 1q4j s ALA 12 Ca 0.57 0.23 -0.00 0.00 0.00 0.00 0.00 51.96 52.76 1q4j s ALA 12 Cb 0.09 0.60 -0.00 0.00 0.00 0.00 0.00 23.12 23.81 1q4j s ALA 12 CO 0.07 -1.02 0.11 0.00 0.00 0.00 0.00 175.76 174.93 1q4j h ARG 13 N 2.00 -0.01 0.00 0.00 3.08 -1.59 -3.45 114.38 114.41 1q4j h ARG 13 Ca -0.24 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.81 1q4j h ARG 13 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.28 1q4j h ARG 13 CO 0.26 -0.01 0.00 0.41 -1.07 0.00 0.00 179.97 179.56 1q4j n GLY 14 N 1.65 1.47 0.05 0.04 0.00 -1.26 -1.72 105.19 105.43 1q4j n GLY 14 Ca -0.00 0.13 0.12 0.00 0.00 0.00 0.00 46.02 46.26 1q4j n GLY 14 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1q4j n LYS 15 N 8.99 0.11 0.02 1.61 4.76 -1.26 -3.44 118.16 128.95 1q4j n LYS 15 Ca 0.00 0.18 0.11 0.00 -2.87 0.00 0.00 58.31 55.73 1q4j n LYS 15 Cb 0.00 -1.65 -0.12 0.00 -1.84 0.00 0.00 35.03 31.42 1q4j n LYS 15 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1q4j n ALA 16 N -1.63 2.86 -0.27 7.82 0.00 -0.70 -4.65 120.51 123.93 1q4j n ALA 16 Ca 0.05 -0.45 -0.06 0.00 0.00 0.00 0.00 53.44 52.99 1q4j n ALA 16 Cb 0.32 -0.85 0.06 0.00 0.00 0.00 0.00 19.45 18.98 1q4j n ALA 16 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1q4j h GLU 17 N 0.00 1.08 -0.76 0.00 4.57 -1.38 -0.37 114.58 117.72 1q4j h GLU 17 Ca 0.00 -0.16 0.03 0.00 -1.18 0.00 0.00 59.36 58.04 1q4j h GLU 17 Cb 0.96 -0.19 -0.04 0.00 -0.16 0.00 0.00 28.75 29.32 1q4j h GLU 17 CO 0.00 0.85 0.49 1.25 -1.18 0.00 0.00 179.01 180.42 1q4j h LEU 18 N 1.05 0.81 -0.91 1.64 5.85 -1.82 0.14 115.31 122.07 1q4j h LEU 18 Ca 0.26 -0.01 0.04 0.00 0.84 0.00 0.00 57.88 59.01 1q4j h LEU 18 Cb 0.13 -0.18 -0.05 0.00 0.37 0.00 0.00 40.66 40.92 1q4j h LEU 18 CO -0.03 0.56 0.59 0.40 -0.34 0.00 0.00 178.44 179.62 1q4j h ILE 19 N 0.96 1.14 -0.23 4.05 2.04 -1.38 -0.95 117.51 123.14 1q4j h ILE 19 Ca 0.30 -0.39 -0.09 0.00 1.00 0.00 0.00 64.86 65.68 1q4j h ILE 19 Cb -0.01 -0.09 -0.01 0.00 -0.74 0.00 0.00 36.82 35.97 1q4j h ILE 19 CO -0.10 0.21 -0.26 0.03 0.00 0.00 0.00 178.15 178.02 1q4j h ARG 20 N 1.13 0.44 -0.40 2.37 3.08 -0.65 -0.93 114.38 119.42 1q4j h ARG 20 Ca 0.37 -0.17 -0.13 0.00 0.07 0.00 0.00 59.98 60.12 1q4j h ARG 20 Cb 0.02 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.04 1q4j h ARG 20 CO -0.13 0.67 -0.26 -0.07 -1.07 0.00 0.00 179.97 179.11 1q4j h LEU 21 N 0.39 0.92 -0.09 3.04 3.38 -0.05 0.21 115.31 123.11 1q4j h LEU 21 Ca 0.06 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.60 1q4j h LEU 21 Cb 0.67 -0.26 -0.00 0.00 0.09 0.00 0.00 40.66 41.15 1q4j h LEU 21 CO 0.05 1.15 0.06 0.40 0.09 0.00 0.00 178.44 180.19 1q4j h ILE 22 N 0.70 1.03 -0.21 1.22 2.04 -0.94 0.35 117.51 121.70 1q4j h ILE 22 Ca 0.08 -0.06 0.03 0.00 1.00 0.00 0.00 64.86 65.91 1q4j h ILE 22 Cb 0.84 0.91 -0.03 0.00 -0.74 0.00 0.00 36.82 37.80 1q4j h ILE 22 CO 0.07 0.03 0.01 -0.26 0.00 0.00 0.00 178.15 178.00 1q4j h PHE 23 N 0.11 0.01 -0.31 1.37 0.04 -1.09 0.72 116.94 117.79 1q4j h PHE 23 Ca 0.03 0.01 0.06 0.00 2.80 0.00 0.00 57.97 60.88 1q4j h PHE 23 Cb -0.01 0.03 -0.06 0.00 2.20 0.00 0.00 35.95 38.11 1q4j h PHE 23 CO -0.07 -0.02 -0.08 0.00 -0.60 0.00 0.00 178.31 177.54 1q4j h ALA 24 N 1.17 0.20 -0.80 2.45 0.00 -0.76 0.35 119.26 121.86 1q4j h ALA 24 Ca 0.10 0.12 -0.01 0.00 0.00 0.00 0.00 54.91 55.12 1q4j h ALA 24 Cb 0.11 0.24 -0.04 0.00 0.00 0.00 0.00 17.79 18.11 1q4j h ALA 24 CO -0.15 -0.47 0.45 -0.92 0.00 0.00 0.00 179.25 178.16 1q4j h TYR 25 N -0.01 1.09 0.00 0.00 3.20 0.06 -2.60 116.97 118.72 1q4j h TYR 25 Ca 0.15 -0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.00 1q4j h TYR 25 Cb 0.23 -0.35 0.00 0.00 1.54 0.00 0.00 36.73 38.15 1q4j h TYR 25 CO -0.30 0.76 -0.17 1.28 -1.64 0.00 0.00 178.16 178.09 1q4j n LEU 26 N -4.42 0.39 -0.25 2.82 4.77 0.21 -4.90 117.00 115.62 1q4j n LEU 26 Ca 0.08 0.39 -0.03 0.00 -0.03 0.00 0.00 56.01 56.42 1q4j n LEU 26 Cb 0.09 -0.37 -0.01 0.00 -2.33 0.00 0.00 43.42 40.79 1q4j n LEU 26 CO 0.38 -0.03 -0.03 0.61 -1.33 0.00 0.00 177.39 176.99 1q4j n GLY 27 N 1.43 0.64 3.68 -0.72 0.00 0.07 -5.00 105.19 105.28 1q4j n GLY 27 Ca 0.06 -0.86 -0.42 0.00 0.00 0.00 0.00 46.02 44.80 1q4j n GLY 27 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1q4j s ILE 28 N -2.11 4.83 0.23 -0.61 1.01 -0.92 -5.02 121.20 118.60 1q4j s ILE 28 Ca 0.00 1.84 -0.30 0.00 0.00 0.00 0.00 60.65 62.20 1q4j s ILE 28 Cb 0.00 -4.23 -0.09 0.00 0.01 0.00 0.00 42.46 38.16 1q4j s ILE 28 CO 0.00 0.01 1.08 -0.70 0.00 0.00 0.00 174.94 175.33 1q4j s GLU 29 N 2.13 4.64 0.23 2.79 2.12 -1.26 -4.69 118.70 124.66 1q4j s GLU 29 Ca 0.43 1.73 -0.23 0.00 0.36 0.00 0.00 54.97 57.27 1q4j s GLU 29 Cb -0.17 -3.24 0.04 0.00 0.26 0.00 0.00 34.13 31.02 1q4j s GLU 29 CO 0.14 0.18 0.81 1.52 -0.54 0.00 0.00 175.26 177.38 1q4j s TYR 30 N -0.74 -0.17 -0.25 5.30 1.13 -1.26 -4.58 117.35 116.78 1q4j s TYR 30 Ca 0.46 -0.23 -0.10 0.00 -1.41 0.00 0.00 57.07 55.79 1q4j s TYR 30 Cb -0.30 0.68 -0.05 0.00 -1.10 0.00 0.00 41.96 41.19 1q4j s TYR 30 CO 0.37 -1.07 0.16 0.99 -2.51 0.00 0.00 175.55 173.49 1q4j s THR 31 N -3.67 5.28 -1.12 -3.49 2.01 0.03 -5.01 115.64 109.68 1q4j s THR 31 Ca 0.11 0.16 -0.11 0.00 0.31 0.00 0.00 61.69 62.16 1q4j s THR 31 Cb -0.04 -3.48 0.24 0.00 0.01 0.00 0.00 72.50 69.23 1q4j s THR 31 CO 0.05 0.31 1.19 -0.62 -0.69 0.00 0.00 174.62 174.86 1q4j s ASP 32 N 1.31 7.20 -0.07 3.53 3.68 -1.26 -0.74 116.67 130.31 1q4j s ASP 32 Ca 0.07 -3.32 -0.30 0.00 2.13 0.00 0.00 52.55 51.14 1q4j s ASP 32 Cb -0.14 -2.27 -0.02 0.00 -1.45 0.00 0.00 42.92 39.03 1q4j s ASP 32 CO 0.07 -0.46 1.01 -0.75 0.13 0.00 0.00 175.17 175.17 1q4j s LYS 33 N -0.21 4.46 -0.15 4.34 2.47 0.22 -4.99 119.74 125.87 1q4j s LYS 33 Ca 0.34 1.42 0.00 0.00 -1.56 0.00 0.00 55.97 56.17 1q4j s LYS 33 Cb -0.08 -3.52 0.03 0.00 -1.46 0.00 0.00 37.83 32.81 1q4j s LYS 33 CO -0.06 -0.25 -0.10 1.03 0.16 0.00 0.00 175.35 176.13 1q4j s ARG 34 N 1.74 1.87 0.23 4.03 0.52 -1.25 -1.70 118.95 124.39 1q4j s ARG 34 Ca 0.50 -0.51 -0.30 0.00 -0.52 0.00 0.00 55.73 54.90 1q4j s ARG 34 Cb -0.20 -1.99 -0.09 0.00 0.52 0.00 0.00 34.95 33.20 1q4j s ARG 34 CO 0.21 -0.31 1.07 -0.06 0.02 0.00 0.00 175.30 176.23 1q4j s PHE 35 N 1.56 3.66 0.00 -0.53 2.99 0.46 -3.84 117.98 122.28 1q4j s PHE 35 Ca 0.03 1.71 0.00 0.00 0.00 0.00 0.00 56.93 58.67 1q4j s PHE 35 Cb -0.14 -3.22 0.00 0.00 0.00 0.00 0.00 43.02 39.66 1q4j s PHE 35 CO -0.09 -0.37 0.00 0.41 -0.00 0.00 0.00 175.22 175.17 1q4j n GLY 36 N 1.56 0.43 0.28 4.36 0.00 -1.26 -2.09 105.19 108.47 1q4j n GLY 36 Ca 0.00 -0.98 -0.09 0.00 0.00 0.00 0.00 46.02 44.95 1q4j n GLY 36 CO 0.00 0.00 0.00 -2.08 0.00 0.00 0.00 173.32 171.24 1q4j h VAL 37 N 0.00 1.26 0.00 1.61 2.07 -1.96 -3.38 116.25 115.85 1q4j h VAL 37 Ca 0.00 -0.99 -0.18 0.00 0.82 0.00 0.00 66.70 66.35 1q4j h VAL 37 Cb 0.25 0.76 -0.03 0.00 -1.52 0.00 0.00 31.29 30.75 1q4j h VAL 37 CO 0.00 0.36 -1.67 0.59 0.02 0.00 0.00 177.57 176.87 1q4j n ASN 38 N -4.31 2.79 -3.25 0.57 3.02 -1.26 -5.00 115.26 107.82 1q4j n ASN 38 Ca 0.03 -0.02 0.01 0.00 -0.03 0.00 0.00 54.58 54.57 1q4j n ASN 38 Cb 0.28 0.40 -0.03 0.00 -0.61 0.00 0.00 39.78 39.82 1q4j n ASN 38 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 1q4j s GLY 39 N -4.54 -0.86 -0.05 7.41 0.00 -1.26 -5.08 107.32 102.94 1q4j s GLY 39 Ca -0.09 1.74 -0.02 0.00 0.00 0.00 0.00 44.72 46.36 1q4j s GLY 39 CO 0.35 3.21 0.03 1.22 0.00 0.00 0.00 173.10 177.91 1q4j n ASP 40 N 5.42 -6.38 -0.36 1.64 9.92 -1.26 -4.65 116.55 120.88 1q4j n ASP 40 Ca -0.03 0.89 0.04 0.00 -0.53 0.00 0.00 54.79 55.16 1q4j n ASP 40 Cb 0.51 -2.35 0.20 0.00 -0.64 0.00 0.00 41.12 38.83 1q4j n ASP 40 CO 0.00 0.00 0.00 0.00 0.13 0.00 0.00 177.20 177.33 1q4j h ALA 41 N 4.35 1.41 -0.61 2.24 0.00 -1.84 -2.78 119.26 122.04 1q4j h ALA 41 Ca -0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 54.87 1q4j h ALA 41 Cb 0.47 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 17.98 1q4j h ALA 41 CO 0.01 0.32 0.40 0.27 0.00 0.00 0.00 179.25 180.25 1q4j h PHE 42 N 1.06 0.68 -0.25 0.00 -5.15 -1.94 0.24 116.94 111.58 1q4j h PHE 42 Ca 0.45 0.02 -0.15 0.00 -0.20 0.00 0.00 57.97 58.09 1q4j h PHE 42 Cb 0.31 -0.23 -0.00 0.00 0.22 0.00 0.00 35.95 36.25 1q4j h PHE 42 CO -0.01 0.39 -0.43 0.28 -2.00 0.00 0.00 178.31 176.54 1q4j h VAL 43 N 0.70 1.30 -0.53 0.88 2.07 -1.81 -1.27 116.25 117.59 1q4j h VAL 43 Ca 0.24 -1.63 -0.09 0.00 0.82 0.00 0.00 66.70 66.04 1q4j h VAL 43 Cb 0.11 1.73 -0.02 0.00 -1.52 0.00 0.00 31.29 31.59 1q4j h VAL 43 CO -0.07 0.52 -0.03 -0.08 0.02 0.00 0.00 177.57 177.93 1q4j h GLU 44 N 0.45 0.96 -0.56 1.57 4.81 -1.21 -1.45 114.58 119.15 1q4j h GLU 44 Ca 0.02 -0.32 -0.04 0.00 -0.13 0.00 0.00 59.36 58.88 1q4j h GLU 44 Cb 1.03 -0.08 -0.03 0.00 0.63 0.00 0.00 28.75 30.30 1q4j h GLU 44 CO 0.10 0.99 0.18 0.35 -0.73 0.00 0.00 179.01 179.89 1q4j h PHE 45 N 0.83 0.84 -0.37 0.92 -0.00 -0.55 -0.78 116.94 117.83 1q4j h PHE 45 Ca 0.15 -0.06 -0.02 0.00 -0.00 0.00 0.00 57.97 58.04 1q4j h PHE 45 Cb 0.57 -0.25 -0.02 0.00 -0.00 0.00 0.00 35.95 36.25 1q4j h PHE 45 CO 0.04 0.68 0.16 -0.22 -0.00 0.00 0.00 178.31 178.98 1q4j h LYS 46 N 0.81 0.55 -0.11 1.11 3.64 -0.88 -1.85 116.57 119.84 1q4j h LYS 46 Ca 0.19 -0.09 -0.10 0.00 -1.27 0.00 0.00 60.65 59.37 1q4j h LYS 46 Cb 0.23 -0.09 -0.01 0.00 -0.41 0.00 0.00 32.23 31.94 1q4j h LYS 46 CO -0.01 0.51 -0.39 -0.91 -2.27 0.00 0.00 179.45 176.38 1q4j h ASN 47 N 0.46 0.24 -0.12 4.20 2.35 -0.93 -2.83 115.58 118.95 1q4j h ASN 47 Ca 0.13 -0.10 -0.00 0.00 -0.55 0.00 0.00 56.30 55.78 1q4j h ASN 47 Cb 0.16 -0.07 -0.01 0.00 0.05 0.00 0.00 38.32 38.46 1q4j h ASN 47 CO -0.01 0.62 0.06 0.15 -1.65 0.00 0.00 177.43 176.60 1q4j h PHE 48 N 0.20 0.17 -0.02 1.19 3.04 -0.86 -2.97 116.94 117.69 1q4j h PHE 48 Ca 0.02 -0.01 -0.02 0.00 3.98 0.00 0.00 57.97 61.94 1q4j h PHE 48 Cb 0.78 -0.05 -0.00 0.00 2.56 0.00 0.00 35.95 39.23 1q4j h PHE 48 CO 0.01 0.20 -0.10 0.87 -2.02 0.00 0.00 178.31 177.28 1q4j h LYS 49 N 0.09 0.03 -0.25 1.11 1.57 -1.16 -0.74 116.57 117.22 1q4j h LYS 49 Ca 0.04 -0.00 -0.09 0.00 -1.87 0.00 0.00 60.65 58.73 1q4j h LYS 49 Cb 0.09 -0.01 -0.01 0.00 0.08 0.00 0.00 32.23 32.38 1q4j h LYS 49 CO -0.01 0.13 -0.22 0.87 -0.57 0.00 0.00 179.45 179.66 1q4j h LYS 50 N 0.03 0.45 0.00 3.15 1.57 -1.36 -3.13 116.57 117.28 1q4j h LYS 50 Ca 0.01 -0.16 0.00 0.00 -1.87 0.00 0.00 60.65 58.63 1q4j h LYS 50 Cb 0.20 -0.04 0.00 0.00 0.08 0.00 0.00 32.23 32.47 1q4j h LYS 50 CO 0.01 0.65 -0.91 -0.85 -0.57 0.00 0.00 179.45 177.78 1q4j n GLU 51 N -4.15 0.19 -4.70 3.15 0.28 -0.86 -4.94 120.64 109.61 1q4j n GLU 51 Ca -0.00 -0.00 -0.25 0.00 -0.16 0.00 0.00 57.16 56.75 1q4j n GLU 51 Cb 0.38 -1.56 -0.16 0.00 1.43 0.00 0.00 31.44 31.52 1q4j n GLU 51 CO 0.00 0.00 0.00 0.15 -0.16 0.00 0.00 177.13 177.12 1q4j s LYS 52 N -3.13 1.59 -0.75 3.44 3.01 -0.34 -5.09 119.74 118.47 1q4j s LYS 52 Ca 0.06 -0.52 -0.26 0.00 -1.01 0.00 0.00 55.97 54.24 1q4j s LYS 52 Cb 0.15 -1.38 0.04 0.00 -1.01 0.00 0.00 37.83 35.63 1q4j s LYS 52 CO 0.79 0.19 1.24 0.34 0.51 0.00 0.00 175.35 178.42 1q4j s ASP 53 N 0.15 6.19 -0.01 2.83 3.68 -1.26 -4.61 116.67 123.63 1q4j s ASP 53 Ca -0.05 -0.63 -0.01 0.00 2.13 0.00 0.00 52.55 53.99 1q4j s ASP 53 Cb -0.11 -2.54 -0.04 0.00 -1.45 0.00 0.00 42.92 38.78 1q4j s ASP 53 CO 0.02 -1.74 0.09 0.42 0.13 0.00 0.00 175.17 174.08 1q4j s THR 54 N 5.39 4.79 0.37 1.71 -4.23 -1.26 -4.93 115.64 117.48 1q4j s THR 54 Ca 0.34 -0.36 0.14 0.00 -1.18 0.00 0.00 61.69 60.63 1q4j s THR 54 Cb -0.09 -3.18 0.11 0.00 1.34 0.00 0.00 72.50 70.68 1q4j s THR 54 CO 0.12 0.37 1.85 1.55 -0.54 0.00 0.00 174.62 177.97 1q4j h PRO 55 N 4.17 0.00 0.00 3.99 0.13 -1.94 -3.35 132.00 135.00 1q4j h PRO 55 Ca -0.49 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.64 1q4j h PRO 55 Cb 1.19 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.32 1q4j h PRO 55 CO 0.62 0.34 -0.15 1.19 -0.23 0.00 0.00 178.00 179.78 1q4j n PHE 56 N -4.09 0.00 -3.57 1.56 0.99 -1.26 -5.01 117.46 106.09 1q4j n PHE 56 Ca -0.02 -0.20 -0.26 0.00 -0.00 0.00 0.00 57.45 56.97 1q4j n PHE 56 Cb 0.39 -0.04 0.02 0.00 -1.00 0.00 0.00 39.48 38.85 1q4j n PHE 56 CO 0.00 0.00 0.00 0.39 -0.00 0.00 0.00 176.76 177.15 1q4j n GLU 57 N -0.25 -4.84 -4.13 -1.08 1.02 -1.26 -4.97 120.64 105.14 1q4j n GLU 57 Ca 0.02 0.63 -0.09 0.00 -0.02 0.00 0.00 57.16 57.70 1q4j n GLU 57 Cb 0.53 -5.47 -0.10 0.00 -0.02 0.00 0.00 31.44 26.39 1q4j n GLU 57 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1q4j s GLN 58 N -6.25 0.71 0.34 3.49 -0.21 -1.26 -5.11 119.66 111.37 1q4j s GLN 58 Ca 0.52 -1.25 0.08 0.00 0.02 0.00 0.00 55.36 54.73 1q4j s GLN 58 Cb -0.26 -0.01 -0.04 0.00 1.00 0.00 0.00 33.01 33.70 1q4j s GLN 58 CO 0.64 -0.06 0.12 0.14 -2.12 0.00 0.00 175.29 174.01 1q4j s VAL 59 N -3.66 2.97 0.64 1.09 -7.23 -1.26 -4.53 120.40 108.42 1q4j s VAL 59 Ca 0.09 -1.74 -0.18 0.00 -1.81 0.00 0.00 61.98 58.34 1q4j s VAL 59 Cb 0.06 -2.95 -0.01 0.00 0.56 0.00 0.00 36.38 34.04 1q4j s VAL 59 CO -0.07 -0.19 1.23 -2.16 -0.31 0.00 0.00 175.10 173.60 1q4j s PRO 60 N -3.82 2.65 -0.05 4.82 0.04 -1.26 -4.97 135.00 132.41 1q4j s PRO 60 Ca 0.37 1.86 0.03 0.00 0.04 0.00 0.00 61.00 63.31 1q4j s PRO 60 Cb -0.02 -1.88 0.00 0.00 0.04 0.00 0.00 34.50 32.64 1q4j s PRO 60 CO 0.22 -1.47 -0.15 0.42 0.04 0.00 0.00 177.00 176.07 1q4j s ILE 61 N -1.66 1.29 -0.21 0.56 -1.09 -0.89 -3.67 121.20 115.53 1q4j s ILE 61 Ca 0.78 -0.61 -0.03 0.00 -2.23 0.00 0.00 60.65 58.56 1q4j s ILE 61 Cb -0.32 -1.13 -0.00 0.00 -1.58 0.00 0.00 42.46 39.43 1q4j s ILE 61 CO 0.38 0.38 -0.07 -0.22 -1.23 0.00 0.00 174.94 174.18 1q4j s LEU 62 N 0.29 2.77 -0.28 2.97 1.98 0.77 -0.96 118.68 126.22 1q4j s LEU 62 Ca -0.08 -0.47 -0.07 0.00 -2.89 0.00 0.00 54.13 50.62 1q4j s LEU 62 Cb -0.13 -1.69 -0.01 0.00 0.66 0.00 0.00 46.19 45.03 1q4j s LEU 62 CO 0.03 -0.02 0.07 -1.58 -1.89 0.00 0.00 176.35 172.96 1q4j s GLN 63 N 1.44 3.31 -0.34 1.98 0.74 0.30 -0.03 119.66 127.05 1q4j s GLN 63 Ca 0.05 -0.71 -0.01 0.00 0.05 0.00 0.00 55.36 54.74 1q4j s GLN 63 Cb -0.14 -3.35 0.08 0.00 1.10 0.00 0.00 33.01 30.70 1q4j s GLN 63 CO -0.05 -0.34 0.07 0.42 -0.55 0.00 0.00 175.29 174.84 1q4j s ILE 64 N 1.54 3.00 0.00 -2.34 1.01 -0.63 -0.63 121.20 123.15 1q4j s ILE 64 Ca 0.04 -1.72 0.00 0.00 0.00 0.00 0.00 60.65 58.97 1q4j s ILE 64 Cb -0.16 -2.89 0.00 0.00 0.01 0.00 0.00 42.46 39.42 1q4j s ILE 64 CO 0.03 -0.36 0.00 0.61 0.00 0.00 0.00 174.94 175.22 1q4j n GLY 65 N 4.57 3.08 0.90 6.18 0.00 -1.02 -1.33 105.19 117.56 1q4j n GLY 65 Ca -0.08 -0.18 0.12 0.00 0.00 0.00 0.00 46.02 45.88 1q4j n GLY 65 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1q4j n ASP 66 N 7.72 2.76 -4.69 1.61 10.43 -1.26 -4.94 116.55 128.19 1q4j n ASP 66 Ca 0.00 -1.90 -0.42 0.00 2.57 0.00 0.00 54.79 55.04 1q4j n ASP 66 Cb 0.00 -0.07 -0.03 0.00 1.84 0.00 0.00 41.12 42.87 1q4j n ASP 66 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1q4j s LEU 67 N -1.85 4.29 -0.26 0.64 2.96 -0.45 -5.02 118.68 118.99 1q4j s LEU 67 Ca 0.32 1.88 -0.08 0.00 -0.22 0.00 0.00 54.13 56.04 1q4j s LEU 67 Cb 0.21 -3.56 -0.03 0.00 0.50 0.00 0.00 46.19 43.31 1q4j s LEU 67 CO 0.31 -0.62 0.09 -0.63 -1.32 0.00 0.00 176.35 174.18 1q4j s ILE 68 N 2.26 4.39 -0.16 6.68 1.01 -1.26 -1.60 121.20 132.52 1q4j s ILE 68 Ca 0.58 -0.21 -0.01 0.00 0.00 0.00 0.00 60.65 61.01 1q4j s ILE 68 Cb -0.26 -3.09 -0.01 0.00 0.01 0.00 0.00 42.46 39.11 1q4j s ILE 68 CO 0.23 0.29 -0.11 -0.76 0.00 0.00 0.00 174.94 174.59 1q4j s LEU 69 N 1.62 2.77 0.42 2.97 1.43 0.96 -4.98 118.68 123.87 1q4j s LEU 69 Ca 0.06 -0.34 0.07 0.00 -1.03 0.00 0.00 54.13 52.89 1q4j s LEU 69 Cb -0.15 -1.65 -0.06 0.00 0.03 0.00 0.00 46.19 44.36 1q4j s LEU 69 CO 0.04 0.11 0.11 0.00 0.23 0.00 0.00 176.35 176.85 1q4j s ALA 70 N 0.66 3.48 -0.01 4.21 0.00 -1.26 -0.16 121.76 128.68 1q4j s ALA 70 Ca -0.06 -2.06 -0.01 0.00 0.00 0.00 0.00 51.96 49.84 1q4j s ALA 70 Cb -0.15 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.82 1q4j s ALA 70 CO 0.02 -0.15 0.02 1.04 0.00 0.00 0.00 175.76 176.69 1q4j n GLN 71 N -1.15 -0.64 -0.19 0.00 1.13 -1.24 -4.45 117.38 110.84 1q4j n GLN 71 Ca -0.04 0.91 0.00 0.00 -1.94 0.00 0.00 57.00 55.93 1q4j n GLN 71 Cb 0.66 -1.27 0.10 0.00 0.11 0.00 0.00 30.24 29.83 1q4j n GLN 71 CO 0.00 0.00 0.00 0.66 -1.44 0.00 0.00 177.06 176.28 1q4j h SER 72 N 0.54 -0.13 -0.73 1.08 4.64 -1.88 0.08 113.55 117.15 1q4j h SER 72 Ca -0.03 0.12 -0.05 0.00 -0.47 0.00 0.00 61.79 61.36 1q4j h SER 72 Cb 0.08 0.20 -0.03 0.00 -0.31 0.00 0.00 62.40 62.34 1q4j h SER 72 CO 0.00 -0.05 0.27 1.56 -0.87 0.00 0.00 176.83 177.75 1q4j h GLN 73 N 0.18 1.10 -0.16 4.77 7.50 -1.91 -0.62 115.11 125.97 1q4j h GLN 73 Ca 0.30 -0.21 -0.16 0.00 0.50 0.00 0.00 58.65 59.08 1q4j h GLN 73 Cb 0.46 -0.17 -0.01 0.00 0.05 0.00 0.00 27.48 27.82 1q4j h GLN 73 CO -0.44 0.92 -0.57 0.00 -1.50 0.00 0.00 178.83 177.24 1q4j h ALA 74 N 1.13 0.72 -0.11 3.87 0.00 -1.64 -2.36 119.26 120.87 1q4j h ALA 74 Ca 0.24 -0.52 -0.01 0.00 0.00 0.00 0.00 54.91 54.62 1q4j h ALA 74 Cb 0.24 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 17.94 1q4j h ALA 74 CO -0.02 0.70 0.05 0.82 0.00 0.00 0.00 179.25 180.80 1q4j h ILE 75 N 0.38 1.14 -0.66 0.00 2.04 -0.61 -1.83 117.51 117.97 1q4j h ILE 75 Ca 0.00 -0.42 0.10 0.00 1.00 0.00 0.00 64.86 65.54 1q4j h ILE 75 Cb 1.10 1.21 -0.07 0.00 -0.74 0.00 0.00 36.82 38.32 1q4j h ILE 75 CO 0.10 0.13 0.29 0.58 0.00 0.00 0.00 178.15 179.25 1q4j h VAL 76 N 0.04 0.80 -0.43 1.67 2.07 -0.96 -0.64 116.25 118.79 1q4j h VAL 76 Ca 0.04 -0.17 -0.08 0.00 0.82 0.00 0.00 66.70 67.31 1q4j h VAL 76 Cb 0.16 0.26 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 1q4j h VAL 76 CO -0.00 0.09 -0.03 0.03 0.02 0.00 0.00 177.57 177.68 1q4j h ARG 77 N 0.50 0.78 0.13 1.57 3.08 -1.29 -0.48 114.38 118.66 1q4j h ARG 77 Ca 0.33 -0.26 -0.01 0.00 0.07 0.00 0.00 59.98 60.11 1q4j h ARG 77 Cb 0.39 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 30.38 1q4j h ARG 77 CO -0.30 0.86 -0.06 -0.92 -1.07 0.00 0.00 179.97 178.48 1q4j h TYR 78 N 0.61 -0.17 -0.92 3.04 5.03 -0.91 -0.49 116.97 123.16 1q4j h TYR 78 Ca 0.12 -0.00 0.07 0.00 2.58 0.00 0.00 58.73 61.49 1q4j h TYR 78 Cb 0.53 0.05 -0.07 0.00 1.55 0.00 0.00 36.73 38.80 1q4j h TYR 78 CO 0.04 -0.05 0.58 -0.07 -1.32 0.00 0.00 178.16 177.34 1q4j h LEU 79 N -0.24 0.92 -0.47 2.82 4.07 -1.03 -0.16 115.31 121.22 1q4j h LEU 79 Ca -0.02 0.02 -0.17 0.00 0.08 0.00 0.00 57.88 57.79 1q4j h LEU 79 Cb 0.19 -0.18 -0.01 0.00 1.08 0.00 0.00 40.66 41.75 1q4j h LEU 79 CO 0.03 0.58 -0.64 0.28 -1.08 0.00 0.00 178.44 177.61 1q4j h SER 80 N 1.05 0.54 -0.13 -0.43 0.02 -0.69 -0.16 113.55 113.76 1q4j h SER 80 Ca 0.40 -0.32 -0.09 0.00 -0.84 0.00 0.00 61.79 60.95 1q4j h SER 80 Cb 0.18 -0.16 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1q4j h SER 80 CO -0.18 1.04 -0.25 0.50 -1.14 0.00 0.00 176.83 176.80 1q4j h LYS 81 N 0.34 0.40 -0.61 3.45 3.64 -0.85 -0.37 116.57 122.58 1q4j h LYS 81 Ca -0.01 -0.26 0.06 0.00 -1.27 0.00 0.00 60.65 59.17 1q4j h LYS 81 Cb 1.20 0.03 -0.05 0.00 -0.41 0.00 0.00 32.23 33.00 1q4j h LYS 81 CO 0.11 0.86 0.32 -0.22 -2.27 0.00 0.00 179.45 178.25 1q4j h LYS 82 N -0.00 0.58 -0.60 1.90 3.64 -0.85 -3.06 116.57 118.19 1q4j h LYS 82 Ca 0.01 -0.04 -0.19 0.00 -1.27 0.00 0.00 60.65 59.16 1q4j h LYS 82 Cb 0.84 -0.13 -0.12 0.00 -0.41 0.00 0.00 32.23 32.41 1q4j h LYS 82 CO 0.06 0.39 0.19 0.66 -2.27 0.00 0.00 179.45 178.47 1q4j n TYR 83 N -4.84 1.97 -3.62 1.91 4.02 -0.09 -4.96 117.16 111.55 1q4j n TYR 83 Ca 0.07 -1.27 -0.22 0.00 -0.01 0.00 0.00 57.90 56.47 1q4j n TYR 83 Cb 0.17 -0.60 0.06 0.00 -0.02 0.00 0.00 39.34 38.95 1q4j n TYR 83 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 176.86 175.94 1q4j n ASN 84 N -0.49 -3.76 -2.29 7.72 3.02 -0.70 -4.90 115.26 113.86 1q4j n ASN 84 Ca 0.37 -0.66 -0.19 0.00 -0.03 0.00 0.00 54.58 54.07 1q4j n ASN 84 Cb 1.25 -4.68 0.02 0.00 -0.61 0.00 0.00 39.78 35.77 1q4j n ASN 84 CO 0.00 0.00 0.00 2.30 -2.62 0.00 0.00 177.26 176.94 1q4j n ILE 85 N -4.54 2.17 -1.53 2.41 -5.35 -0.23 -4.78 119.36 107.51 1q4j n ILE 85 Ca -0.14 -4.01 0.07 0.00 -0.27 0.00 0.00 62.75 58.40 1q4j n ILE 85 Cb 0.61 -0.57 0.14 0.00 -1.74 0.00 0.00 39.64 38.08 1q4j n ILE 85 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1q4j n GLY 87 N -0.94 -0.56 0.10 0.00 0.00 -1.26 -3.94 105.19 98.58 1q4j n GLY 87 Ca 0.14 -1.77 0.01 0.00 0.00 0.00 0.00 46.02 44.40 1q4j n GLY 87 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1q4j n GLU 88 N -0.59 0.80 -3.92 1.61 1.02 -1.26 -4.87 120.64 113.43 1q4j n GLU 88 Ca 0.00 -0.99 -0.09 0.00 -0.02 0.00 0.00 57.16 56.06 1q4j n GLU 88 Cb 0.00 -0.70 -0.09 0.00 -0.02 0.00 0.00 31.44 30.64 1q4j n GLU 88 CO 0.00 0.00 0.00 -1.54 1.18 0.00 0.00 177.13 176.77 1q4j s SER 89 N -0.65 0.19 0.42 1.62 1.04 -1.26 -5.03 113.70 110.03 1q4j s SER 89 Ca 0.03 -0.63 0.09 0.00 0.48 0.00 0.00 55.95 55.91 1q4j s SER 89 Cb 0.02 0.27 0.91 0.00 0.10 0.00 0.00 66.02 67.32 1q4j s SER 89 CO 0.00 -0.60 2.06 1.05 0.98 0.00 0.00 173.24 176.73 1q4j h GLU 90 N 3.25 0.48 0.08 4.02 4.11 -1.96 0.35 114.58 124.91 1q4j h GLU 90 Ca -0.33 -0.03 -0.00 0.00 0.07 0.00 0.00 59.36 59.07 1q4j h GLU 90 Cb 1.18 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.33 1q4j h GLU 90 CO 0.55 0.32 -0.04 1.25 0.07 0.00 0.00 179.01 181.16 1q4j h LEU 91 N 0.50 -0.09 -1.91 3.06 5.85 -1.99 -2.42 115.31 118.30 1q4j h LEU 91 Ca 0.16 -0.50 0.08 0.00 0.84 0.00 0.00 57.88 58.46 1q4j h LEU 91 Cb 0.02 0.02 -0.02 0.00 0.37 0.00 0.00 40.66 41.05 1q4j h LEU 91 CO -0.04 0.51 0.25 0.78 -0.34 0.00 0.00 178.44 179.60 1q4j h ASN 92 N -0.74 0.09 -0.55 1.25 -0.26 -1.89 -0.11 115.58 113.37 1q4j h ASN 92 Ca -0.01 0.00 -0.07 0.00 -0.56 0.00 0.00 56.30 55.66 1q4j h ASN 92 Cb 0.58 -0.02 -0.02 0.00 -1.06 0.00 0.00 38.32 37.80 1q4j h ASN 92 CO 0.02 0.06 0.06 -0.08 -1.06 0.00 0.00 177.43 176.43 1q4j h GLU 93 N 0.11 0.93 -0.36 0.81 4.81 -0.88 -1.34 114.58 118.66 1q4j h GLU 93 Ca 0.16 -0.26 -0.03 0.00 -0.13 0.00 0.00 59.36 59.10 1q4j h GLU 93 Cb 0.52 -0.10 -0.01 0.00 0.63 0.00 0.00 28.75 29.78 1q4j h GLU 93 CO -0.02 0.91 0.09 0.35 -0.73 0.00 0.00 179.01 179.61 1q4j h PHE 94 N 0.82 0.61 -0.70 0.92 3.57 -0.76 -2.59 116.94 118.81 1q4j h PHE 94 Ca 0.16 -0.07 -0.01 0.00 3.53 0.00 0.00 57.97 61.58 1q4j h PHE 94 Cb 0.45 -0.17 -0.03 0.00 2.79 0.00 0.00 35.95 38.99 1q4j h PHE 94 CO 0.03 0.60 0.39 1.88 -2.23 0.00 0.00 178.31 178.98 1q4j h TYR 95 N 0.43 0.95 -0.62 0.41 0.05 -0.86 0.25 116.97 117.58 1q4j h TYR 95 Ca 0.11 -0.02 0.04 0.00 0.05 0.00 0.00 58.73 58.92 1q4j h TYR 95 Cb 0.30 -0.31 -0.05 0.00 1.01 0.00 0.00 36.73 37.69 1q4j h TYR 95 CO 0.02 0.67 0.36 0.00 -1.05 0.00 0.00 178.16 178.15 1q4j h ALA 96 N 1.19 0.82 -0.13 3.88 0.00 -1.21 -0.15 119.26 123.66 1q4j h ALA 96 Ca 0.25 0.00 -0.01 0.00 0.00 0.00 0.00 54.91 55.15 1q4j h ALA 96 Cb 0.03 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.67 1q4j h ALA 96 CO -0.04 0.06 0.05 0.22 0.00 0.00 0.00 179.25 179.54 1q4j h ASP 97 N 0.68 0.18 -0.68 0.00 -0.00 -0.97 -0.13 116.42 115.50 1q4j h ASP 97 Ca 0.27 -0.15 0.08 0.00 -0.00 0.00 0.00 57.03 57.23 1q4j h ASP 97 Cb 0.11 -0.05 -0.07 0.00 -0.00 0.00 0.00 39.33 39.33 1q4j h ASP 97 CO -0.14 0.28 0.34 -0.03 -0.00 0.00 0.00 179.24 179.68 1q4j h MET 98 N 0.06 0.57 -0.33 0.28 4.05 -0.26 -0.78 114.93 118.52 1q4j h MET 98 Ca 0.04 -0.03 -0.05 0.00 -0.28 0.00 0.00 59.70 59.38 1q4j h MET 98 Cb 0.16 -0.13 -0.01 0.00 -0.80 0.00 0.00 31.60 30.82 1q4j h MET 98 CO -0.00 0.38 0.01 0.82 0.23 0.00 0.00 176.91 178.35 1q4j h ILE 99 N 0.59 1.25 -0.55 1.77 2.04 -0.79 -0.60 117.51 121.22 1q4j h ILE 99 Ca 0.33 -0.93 0.05 0.00 1.00 0.00 0.00 64.86 65.31 1q4j h ILE 99 Cb 0.33 1.21 -0.05 0.00 -0.74 0.00 0.00 36.82 37.57 1q4j h ILE 99 CO -0.25 0.30 0.28 0.15 0.00 0.00 0.00 178.15 178.63 1q4j h PHE 100 N 0.38 0.51 -0.40 1.37 3.57 -0.67 0.18 116.94 121.88 1q4j h PHE 100 Ca 0.09 0.02 -0.05 0.00 3.53 0.00 0.00 57.97 61.57 1q4j h PHE 100 Cb 0.42 -0.15 -0.02 0.00 2.79 0.00 0.00 35.95 39.00 1q4j h PHE 100 CO 0.03 0.24 0.04 0.00 -2.23 0.00 0.00 178.31 176.40 1q4j h GLY 102 N 0.87 0.93 0.82 0.00 0.00 0.13 -2.64 103.07 103.17 1q4j h GLY 102 Ca 0.13 -0.59 0.06 0.00 0.00 0.00 0.00 47.33 46.93 1q4j h GLY 102 CO 0.01 0.54 0.64 -2.08 0.00 0.00 0.00 176.54 175.65 1q4j h VAL 103 N 0.76 1.11 -0.61 4.60 2.07 -0.05 -1.65 116.25 122.48 1q4j h VAL 103 Ca 0.17 -0.40 -0.06 0.00 0.82 0.00 0.00 66.70 67.23 1q4j h VAL 103 Cb 0.35 -0.16 -0.03 0.00 -1.52 0.00 0.00 31.29 29.93 1q4j h VAL 103 CO 0.00 0.21 0.14 1.56 0.02 0.00 0.00 177.57 179.51 1q4j h GLN 104 N 1.17 0.96 0.33 1.57 4.20 -1.00 0.19 115.11 122.53 1q4j h GLN 104 Ca 0.41 -0.21 -0.01 0.00 0.06 0.00 0.00 58.65 58.89 1q4j h GLN 104 Cb 0.12 -0.13 -0.00 0.00 0.30 0.00 0.00 27.48 27.76 1q4j h GLN 104 CO -0.15 0.86 -0.20 -0.44 -0.67 0.00 0.00 178.83 178.23 1q4j h ASP 105 N 0.91 -0.49 0.53 1.46 3.32 -0.96 -1.79 116.42 119.40 1q4j h ASP 105 Ca 0.19 0.03 -0.15 0.00 0.02 0.00 0.00 57.03 57.12 1q4j h ASP 105 Cb 0.34 0.14 -0.02 0.00 0.22 0.00 0.00 39.33 40.02 1q4j h ASP 105 CO 0.00 -0.32 -0.66 -0.29 -1.72 0.00 0.00 179.24 176.25 1q4j h ILE 106 N -0.51 1.44 -0.36 0.35 6.09 -1.26 -2.92 117.51 120.34 1q4j h ILE 106 Ca -0.04 -2.19 -0.01 0.00 -1.37 0.00 0.00 64.86 61.25 1q4j h ILE 106 Cb 0.41 2.16 -0.02 0.00 0.47 0.00 0.00 36.82 39.85 1q4j h ILE 106 CO 0.04 0.63 0.17 -0.74 -3.07 0.00 0.00 178.15 175.19 1q4j h HIS 107 N 0.09 0.53 -0.46 2.19 2.76 -0.54 -0.61 115.15 119.10 1q4j h HIS 107 Ca -0.01 -0.03 0.04 0.00 -2.20 0.00 0.00 60.37 58.17 1q4j h HIS 107 Cb 1.18 -0.16 -0.04 0.00 1.55 0.00 0.00 27.41 29.94 1q4j h HIS 107 CO 0.01 0.45 0.23 -0.92 -1.30 0.00 0.00 177.93 176.40 1q4j h TYR 108 N 0.45 0.42 -0.76 5.26 3.20 -1.27 -0.59 116.97 123.68 1q4j h TYR 108 Ca 0.13 0.02 0.00 0.00 3.14 0.00 0.00 58.73 62.02 1q4j h TYR 108 Cb 0.12 -0.12 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 1q4j h TYR 108 CO -0.01 0.21 0.48 0.87 -1.64 0.00 0.00 178.16 178.06 1q4j h LYS 109 N 0.45 1.01 -0.61 1.82 1.57 -1.28 -0.47 116.57 119.07 1q4j h LYS 109 Ca 0.20 -0.08 -0.04 0.00 -1.87 0.00 0.00 60.65 58.86 1q4j h LYS 109 Cb 0.12 -0.22 -0.03 0.00 0.08 0.00 0.00 32.23 32.18 1q4j h LYS 109 CO -0.15 0.70 0.21 0.35 -0.57 0.00 0.00 179.45 179.99 1q4j h PHE 110 N 1.03 0.95 -0.50 -1.35 3.04 -0.36 -2.23 116.94 117.53 1q4j h PHE 110 Ca 0.27 -0.08 -0.10 0.00 3.98 0.00 0.00 57.97 62.04 1q4j h PHE 110 Cb -0.08 -0.28 -0.02 0.00 2.56 0.00 0.00 35.95 38.14 1q4j h PHE 110 CO -0.01 0.77 -0.09 -0.91 -2.02 0.00 0.00 178.31 176.05 1q4j h ASN 111 N 0.85 0.91 0.85 0.41 2.35 -0.90 0.32 115.58 120.38 1q4j h ASN 111 Ca 0.20 -0.28 -0.04 0.00 -0.55 0.00 0.00 56.30 55.63 1q4j h ASN 111 Cb 0.25 -0.25 -0.01 0.00 0.05 0.00 0.00 38.32 38.37 1q4j h ASN 111 CO -0.01 1.02 -0.17 0.78 -1.65 0.00 0.00 177.43 177.39 1q4j h ASN 112 N 0.83 0.00 0.00 5.81 4.21 -0.85 -3.32 115.58 122.25 1q4j h ASN 112 Ca 0.14 0.00 -0.23 0.00 1.21 0.00 0.00 56.30 57.41 1q4j h ASN 112 Cb 0.61 0.00 -0.04 0.00 -1.12 0.00 0.00 38.32 37.77 1q4j h ASN 112 CO 0.04 0.17 -1.88 0.35 -1.29 0.00 0.00 177.43 174.83 1q4j n THR 113 N -3.37 0.88 -2.02 2.81 -2.24 -0.86 -4.69 114.28 104.78 1q4j n THR 113 Ca -0.00 -0.50 -0.35 0.00 -2.27 0.00 0.00 64.05 60.93 1q4j n THR 113 Cb 0.38 -0.74 0.03 0.00 -2.10 0.00 0.00 70.33 67.90 1q4j n THR 113 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1q4j s ASN 114 N -4.73 5.35 0.00 3.42 2.47 0.09 -1.01 114.94 120.53 1q4j s ASN 114 Ca -0.09 2.19 0.00 0.00 0.42 0.00 0.00 52.86 55.38 1q4j s ASN 114 Cb 0.04 -2.58 0.00 0.00 -1.45 0.00 0.00 41.25 37.26 1q4j s ASN 114 CO 0.49 -1.48 0.00 -0.11 -3.72 0.00 0.00 177.10 172.29 1q4j n LEU 115 N -1.74 0.00 0.10 3.21 0.00 -1.26 -4.49 117.00 112.82 1q4j n LEU 115 Ca 0.12 0.00 0.02 0.00 0.00 0.00 0.00 56.01 56.15 1q4j n LEU 115 Cb 0.51 0.00 -0.02 0.00 0.00 0.00 0.00 43.42 43.91 1q4j n LEU 115 CO 0.44 0.00 0.15 -0.26 0.00 0.00 0.00 177.39 177.73 1q4j h PHE 116 N 0.00 0.00 -0.74 1.96 0.04 -1.88 -3.48 116.94 112.84 1q4j h PHE 116 Ca 0.00 0.00 -0.27 0.00 2.80 0.00 0.00 57.97 60.50 1q4j h PHE 116 Cb 0.00 0.00 -0.10 0.00 2.20 0.00 0.00 35.95 38.05 1q4j h PHE 116 CO 0.00 0.50 -0.25 1.63 -0.60 0.00 0.00 178.31 179.59 1q4j n LYS 117 N -3.07 -0.92 -0.25 1.51 4.76 -0.18 -4.94 118.16 115.07 1q4j n LYS 117 Ca -0.03 0.93 -0.01 0.00 -2.87 0.00 0.00 58.31 56.33 1q4j n LYS 117 Cb 0.77 -5.00 0.05 0.00 -1.84 0.00 0.00 35.03 29.01 1q4j n LYS 117 CO 0.00 0.00 0.00 1.96 -1.37 0.00 0.00 177.40 177.99 1q4j h GLN 118 N 0.00 -0.07 -1.33 1.97 4.20 -1.83 -3.12 115.11 114.93 1q4j h GLN 118 Ca -0.27 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.04 1q4j h GLN 118 Cb 0.89 0.01 -0.40 0.00 0.30 0.00 0.00 27.48 28.28 1q4j h GLN 118 CO 0.39 -0.04 -1.18 0.09 -0.67 0.00 0.00 178.83 177.41 1q4j n ASN 119 N -5.47 1.37 -0.04 1.46 3.02 -1.26 -4.97 115.26 109.36 1q4j n ASN 119 Ca 0.08 -2.84 -0.11 0.00 -0.03 0.00 0.00 54.58 51.68 1q4j n ASN 119 Cb 0.38 -0.56 -0.06 0.00 -0.61 0.00 0.00 39.78 38.93 1q4j n ASN 119 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 1q4j h GLU 120 N 2.99 0.24 -0.00 3.52 4.81 -1.83 -1.65 114.58 122.65 1q4j h GLU 120 Ca -0.03 -0.06 -0.07 0.00 -0.13 0.00 0.00 59.36 59.07 1q4j h GLU 120 Cb 1.10 -0.03 -0.01 0.00 0.63 0.00 0.00 28.75 30.44 1q4j h GLU 120 CO 0.51 0.41 -0.35 1.79 -0.73 0.00 0.00 179.01 180.64 1q4j h THR 121 N 0.04 1.25 -0.24 0.32 1.35 -1.93 0.19 112.91 113.89 1q4j h THR 121 Ca 0.05 -1.20 -0.06 0.00 -0.55 0.00 0.00 66.41 64.64 1q4j h THR 121 Cb 0.28 1.64 -0.01 0.00 -1.73 0.00 0.00 68.15 68.33 1q4j h THR 121 CO 0.00 0.34 -0.10 0.74 -0.25 0.00 0.00 175.52 176.25 1q4j h THR 122 N 0.01 1.30 -0.76 6.82 2.02 -1.93 -0.66 112.91 119.71 1q4j h THR 122 Ca -0.00 -1.16 0.03 0.00 0.77 0.00 0.00 66.41 66.05 1q4j h THR 122 Cb 0.62 1.56 -0.05 0.00 -1.74 0.00 0.00 68.15 68.54 1q4j h THR 122 CO 0.05 0.36 0.48 0.15 0.37 0.00 0.00 175.52 176.92 1q4j h PHE 123 N 0.21 0.90 0.23 3.16 3.57 -0.54 -1.13 116.94 123.33 1q4j h PHE 123 Ca 0.05 0.02 -0.33 0.00 3.53 0.00 0.00 57.97 61.25 1q4j h PHE 123 Cb 0.59 -0.30 0.03 0.00 2.79 0.00 0.00 35.95 39.07 1q4j h PHE 123 CO 0.06 0.52 -1.47 -0.07 -2.23 0.00 0.00 178.31 175.12 1q4j h LEU 124 N 0.94 0.76 0.00 0.59 4.07 -0.55 0.83 115.31 121.95 1q4j h LEU 124 Ca 0.30 -0.83 0.00 0.00 0.08 0.00 0.00 57.88 57.43 1q4j h LEU 124 Cb 0.01 -0.25 0.00 0.00 1.08 0.00 0.00 40.66 41.50 1q4j h LEU 124 CO -0.11 1.66 -1.31 0.59 -1.08 0.00 0.00 178.44 178.19 1q4j n ASN 125 N -3.67 0.58 0.01 -0.43 3.02 -0.26 -4.33 115.26 110.17 1q4j n ASN 125 Ca -0.16 0.20 -0.02 0.00 -0.03 0.00 0.00 54.58 54.58 1q4j n ASN 125 Cb 1.09 0.94 -0.01 0.00 -0.61 0.00 0.00 39.78 41.19 1q4j n ASN 125 CO 0.00 0.00 0.00 -0.62 -2.62 0.00 0.00 177.26 174.02 1q4j n GLU 126 N -2.52 0.09 -0.03 3.52 -0.58 -0.46 -4.79 120.64 115.87 1q4j n GLU 126 Ca -0.01 0.04 -0.14 0.00 -0.42 0.00 0.00 57.16 56.63 1q4j n GLU 126 Cb 0.55 -0.51 -0.10 0.00 -0.57 0.00 0.00 31.44 30.81 1q4j n GLU 126 CO 0.00 0.00 0.00 -0.44 -0.48 0.00 0.00 177.13 176.21 1q4j h ASP 127 N -0.17 0.09 -0.31 1.62 3.45 -1.25 -2.61 116.42 117.25 1q4j h ASP 127 Ca 0.00 -0.64 0.00 0.00 0.43 0.00 0.00 57.03 56.83 1q4j h ASP 127 Cb 0.17 -0.03 -0.02 0.00 -0.56 0.00 0.00 39.33 38.90 1q4j h ASP 127 CO 0.00 0.71 0.20 0.25 -1.57 0.00 0.00 179.24 178.84 1q4j h LEU 128 N -0.52 0.35 -0.53 1.55 6.46 -1.10 0.39 115.31 121.91 1q4j h LEU 128 Ca -0.00 -0.01 -0.06 0.00 -0.12 0.00 0.00 57.88 57.68 1q4j h LEU 128 Cb 0.71 -0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.53 1q4j h LEU 128 CO 0.01 0.26 0.09 -0.65 -0.62 0.00 0.00 178.44 177.53 1q4j h PRO 129 N 0.41 0.89 0.02 5.25 0.11 -1.75 0.25 132.00 137.18 1q4j h PRO 129 Ca 0.11 -0.24 0.02 0.00 0.11 0.00 0.00 66.00 66.00 1q4j h PRO 129 Cb -0.05 -0.10 -0.03 0.00 0.11 0.00 0.00 31.00 30.93 1q4j h PRO 129 CO -0.02 0.86 -0.15 -0.22 -0.21 0.00 0.00 178.00 178.26 1q4j h LYS 130 N 0.77 -0.24 -0.33 1.05 3.64 -1.20 0.11 116.57 120.37 1q4j h LYS 130 Ca 0.16 0.02 -0.16 0.00 -1.27 0.00 0.00 60.65 59.40 1q4j h LYS 130 Cb 0.41 0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.28 1q4j h LYS 130 CO 0.01 -0.16 -0.44 -1.49 -2.27 0.00 0.00 179.45 175.10 1q4j h TRP 131 N -0.25 1.02 -0.98 1.91 4.06 -0.80 -1.59 115.95 119.32 1q4j h TRP 131 Ca 0.04 -0.32 0.06 0.00 2.06 0.00 0.00 58.89 60.73 1q4j h TRP 131 Cb 0.31 -0.21 -0.07 0.00 -1.00 0.00 0.00 29.16 28.19 1q4j h TRP 131 CO -0.19 1.13 0.63 0.77 -3.56 0.00 0.00 178.44 177.21 1q4j h SER 132 N 0.67 1.01 -0.67 -3.49 0.02 -0.27 -1.55 113.55 109.28 1q4j h SER 132 Ca 0.04 0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 60.95 1q4j h SER 132 Cb 1.02 -0.21 -0.03 0.00 0.14 0.00 0.00 62.40 63.33 1q4j h SER 132 CO 0.10 0.65 0.21 1.23 -1.14 0.00 0.00 176.83 177.88 1q4j h GLY 133 N 1.15 1.13 0.69 -3.77 0.00 -0.24 -1.04 103.07 101.00 1q4j h GLY 133 Ca 0.42 -0.65 0.04 0.00 0.00 0.00 0.00 47.33 47.13 1q4j h GLY 133 CO -0.17 0.61 0.11 -0.97 0.00 0.00 0.00 176.54 176.13 1q4j h TYR 134 N 1.02 0.20 -0.30 5.60 0.05 -0.35 -0.33 116.97 122.87 1q4j h TYR 134 Ca 0.22 0.02 -0.13 0.00 0.05 0.00 0.00 58.73 58.89 1q4j h TYR 134 Cb 0.29 -0.04 -0.00 0.00 1.01 0.00 0.00 36.73 37.98 1q4j h TYR 134 CO 0.02 0.08 -0.33 0.74 -1.05 0.00 0.00 178.16 177.63 1q4j h PHE 135 N 0.26 0.90 -0.31 4.88 0.05 -1.15 -1.02 116.94 120.55 1q4j h PHE 135 Ca 0.16 -0.28 0.06 0.00 3.82 0.00 0.00 57.97 61.73 1q4j h PHE 135 Cb 0.14 -0.19 -0.06 0.00 2.00 0.00 0.00 35.95 37.84 1q4j h PHE 135 CO -0.15 1.05 -0.09 0.93 -0.18 0.00 0.00 178.31 179.87 1q4j h GLU 136 N 0.50 -0.02 -0.80 1.51 4.39 -1.10 0.13 114.58 119.18 1q4j h GLU 136 Ca 0.04 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.75 1q4j h GLU 136 Cb 0.91 0.00 -0.04 0.00 -0.10 0.00 0.00 28.75 29.52 1q4j h GLU 136 CO 0.08 -0.01 0.51 -0.22 -1.16 0.00 0.00 179.01 178.21 1q4j h LYS 137 N -0.02 1.07 -0.67 2.33 3.64 -0.90 -1.22 116.57 120.80 1q4j h LYS 137 Ca 0.15 -0.08 -0.05 0.00 -1.27 0.00 0.00 60.65 59.40 1q4j h LYS 137 Cb 0.25 -0.23 -0.03 0.00 -0.41 0.00 0.00 32.23 31.81 1q4j h LYS 137 CO -0.33 0.73 0.20 -0.07 -2.27 0.00 0.00 179.45 177.71 1q4j h LEU 138 N 1.09 0.96 -0.29 5.20 3.38 -0.60 -2.35 115.31 122.71 1q4j h LEU 138 Ca 0.29 -0.17 0.01 0.00 0.09 0.00 0.00 57.88 58.09 1q4j h LEU 138 Cb -0.08 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.40 1q4j h LEU 138 CO -0.06 0.90 0.18 -0.07 0.09 0.00 0.00 178.44 179.48 1q4j h LEU 139 N 0.99 0.31 -0.96 1.67 3.38 -0.06 -2.66 115.31 117.97 1q4j h LEU 139 Ca 0.22 -0.00 0.10 0.00 0.09 0.00 0.00 57.88 58.28 1q4j h LEU 139 Cb 0.30 -0.07 -0.08 0.00 0.09 0.00 0.00 40.66 40.90 1q4j h LEU 139 CO -0.01 0.22 0.60 0.11 0.09 0.00 0.00 178.44 179.46 1q4j h LYS 140 N 0.37 0.98 0.00 1.13 1.57 -0.95 -1.93 116.57 117.73 1q4j h LYS 140 Ca 0.11 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.83 1q4j h LYS 140 Cb -0.03 -0.22 -0.00 0.00 0.08 0.00 0.00 32.23 32.06 1q4j h LYS 140 CO -0.04 0.65 -0.01 0.87 -0.57 0.00 0.00 179.45 180.36 1q4j h LYS 141 N 1.01 0.00 -0.63 3.15 1.57 -1.06 -1.80 116.57 118.80 1q4j h LYS 141 Ca 0.46 0.00 -0.11 0.00 -1.87 0.00 0.00 60.65 59.12 1q4j h LYS 141 Cb 0.36 0.00 -0.07 0.00 0.08 0.00 0.00 32.23 32.60 1q4j h LYS 141 CO -0.23 0.01 0.13 -1.71 -0.57 0.00 0.00 179.45 177.08 1q4j n ASN 142 N -3.25 5.14 -0.33 0.86 5.15 -0.73 -4.74 115.26 117.36 1q4j n ASN 142 Ca -0.03 -3.10 0.03 0.00 -0.60 0.00 0.00 54.58 50.88 1q4j n ASN 142 Cb 0.10 -0.71 0.17 0.00 -0.53 0.00 0.00 39.78 38.81 1q4j n ASN 142 CO 0.00 0.00 0.00 -0.74 1.40 0.00 0.00 177.26 177.92 1q4j h HIS 143 N 3.15 1.04 -0.25 1.20 -0.00 -1.38 -2.50 115.15 116.41 1q4j h HIS 143 Ca 0.14 0.03 -0.09 0.00 -0.00 0.00 0.00 60.37 60.45 1q4j h HIS 143 Cb 2.13 -0.33 -0.01 0.00 -0.00 0.00 0.00 27.41 29.19 1q4j h HIS 143 CO 1.16 0.48 -0.23 1.79 -0.00 0.00 0.00 177.93 181.13 1q4j h THR 144 N 0.98 1.26 -0.66 6.26 1.35 -1.85 -3.32 112.91 116.92 1q4j h THR 144 Ca 0.42 -1.21 -0.28 0.00 -0.55 0.00 0.00 66.41 64.78 1q4j h THR 144 Cb 0.28 1.32 -0.05 0.00 -1.73 0.00 0.00 68.15 67.97 1q4j h THR 144 CO -0.21 0.39 0.73 0.20 -0.25 0.00 0.00 175.52 176.38 1q4j s ASN 145 N -6.81 5.06 0.00 5.36 0.01 -0.94 -4.71 114.94 112.91 1q4j s ASN 145 Ca -0.07 -0.76 0.00 0.00 -0.71 0.00 0.00 52.86 51.32 1q4j s ASN 145 Cb 0.14 -2.56 0.00 0.00 0.41 0.00 0.00 41.25 39.24 1q4j s ASN 145 CO 0.79 -2.85 0.00 0.59 -1.51 0.00 0.00 177.10 174.11 1q4j n ASN 146 N 14.29 0.00 -0.00 -1.22 3.02 -1.25 -4.76 115.26 125.33 1q4j n ASN 146 Ca 0.41 0.00 0.10 0.00 -0.03 0.00 0.00 54.58 55.06 1q4j n ASN 146 Cb 0.47 0.00 -0.13 0.00 -0.61 0.00 0.00 39.78 39.50 1q4j n ASN 146 CO 0.00 0.00 0.00 -3.20 -2.62 0.00 0.00 177.26 171.44 1q4j n ASN 147 N 0.00 0.66 -2.22 6.41 5.15 -1.26 -4.68 115.26 119.33 1q4j n ASN 147 Ca 0.00 -0.50 0.00 0.00 -0.60 0.00 0.00 54.58 53.48 1q4j n ASN 147 Cb 0.00 1.45 0.00 0.00 -0.53 0.00 0.00 39.78 40.70 1q4j n ASN 147 CO 0.00 0.00 0.00 -0.46 1.40 0.00 0.00 177.26 178.20 1q4j n ASN 148 N -1.82 0.00 0.00 1.20 6.94 -1.26 -4.41 115.26 115.91 1q4j n ASN 148 Ca 0.00 -1.18 0.00 0.00 -0.02 0.00 0.00 54.58 53.38 1q4j n ASN 148 Cb 0.41 0.00 0.00 0.00 -2.36 0.00 0.00 39.78 37.83 1q4j n ASN 148 CO 0.00 0.00 0.00 0.47 -1.03 0.00 0.00 177.26 176.70 1q4j n ASP 149 N 2.39 -4.70 -4.52 0.53 8.00 -1.26 -5.00 116.55 111.99 1q4j n ASP 149 Ca 0.00 0.00 -0.34 0.00 0.71 0.00 0.00 54.79 55.16 1q4j n ASP 149 Cb 0.00 -2.53 -0.12 0.00 -0.02 0.00 0.00 41.12 38.45 1q4j n ASP 149 CO 0.00 0.00 0.00 -0.54 -0.39 0.00 0.00 177.20 176.27 1q4j s LYS 150 N -1.34 3.55 -0.17 -1.24 1.02 -1.26 -4.98 119.74 115.32 1q4j s LYS 150 Ca 0.00 -0.51 0.01 0.00 0.02 0.00 0.00 55.97 55.48 1q4j s LYS 150 Cb 0.00 -2.88 0.03 0.00 -0.52 0.00 0.00 37.83 34.46 1q4j s LYS 150 CO 0.00 0.31 -0.14 0.71 -0.92 0.00 0.00 175.35 175.31 1q4j s TYR 151 N 0.17 2.40 0.04 3.18 2.02 -1.26 -4.49 117.35 119.41 1q4j s TYR 151 Ca -0.02 -1.45 0.06 0.00 -0.37 0.00 0.00 57.07 55.29 1q4j s TYR 151 Cb -0.14 -1.69 -0.02 0.00 -0.40 0.00 0.00 41.96 39.71 1q4j s TYR 151 CO 0.03 -0.73 -0.16 0.71 -1.57 0.00 0.00 175.55 173.83 1q4j s TYR 152 N 1.41 1.42 0.15 2.71 2.02 -1.26 -4.93 117.35 118.87 1q4j s TYR 152 Ca 0.03 -0.37 0.11 0.00 -0.37 0.00 0.00 57.07 56.48 1q4j s TYR 152 Cb -0.14 -0.84 0.20 0.00 -0.40 0.00 0.00 41.96 40.79 1q4j s TYR 152 CO -0.10 0.06 1.51 0.74 -1.57 0.00 0.00 175.55 176.19 1q4j h PHE 153 N 4.84 0.00 -3.37 2.71 -1.00 -1.94 -3.45 116.94 114.74 1q4j h PHE 153 Ca -0.40 0.00 -0.39 0.00 2.81 0.00 0.00 57.97 59.99 1q4j h PHE 153 Cb 1.17 0.00 -0.36 0.00 3.61 0.00 0.00 35.95 40.37 1q4j h PHE 153 CO 0.53 0.68 -0.76 0.08 -1.61 0.00 0.00 178.31 177.23 1q4j s VAL 154 N -3.25 0.26 0.00 -0.55 1.01 -1.26 -4.78 120.40 111.84 1q4j s VAL 154 Ca 0.00 0.12 0.00 0.00 0.00 0.00 0.00 61.98 62.10 1q4j s VAL 154 Cb 0.11 -0.40 0.00 0.00 0.00 0.00 0.00 36.38 36.09 1q4j s VAL 154 CO 0.76 0.21 0.00 0.61 0.00 0.00 0.00 175.10 176.68 1q4j n GLY 155 N 4.69 0.88 0.44 4.51 0.00 -1.26 -4.01 105.19 110.44 1q4j n GLY 155 Ca -0.15 -0.66 0.07 0.00 0.00 0.00 0.00 46.02 45.28 1q4j n GLY 155 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1q4j n ASN 156 N -2.58 1.73 -4.05 1.61 6.94 -1.26 -4.76 115.26 112.89 1q4j n ASN 156 Ca 0.00 -3.16 -0.12 0.00 -0.02 0.00 0.00 54.58 51.28 1q4j n ASN 156 Cb 0.00 -0.43 -0.11 0.00 -2.36 0.00 0.00 39.78 36.88 1q4j n ASN 156 CO 0.00 0.00 0.00 0.20 -1.03 0.00 0.00 177.26 176.43 1q4j s ASN 157 N -2.72 0.69 0.40 0.53 0.02 -1.26 -5.02 114.94 107.59 1q4j s ASN 157 Ca 0.31 -0.58 -0.26 0.00 -1.02 0.00 0.00 52.86 51.31 1q4j s ASN 157 Cb 0.29 0.06 -0.10 0.00 0.02 0.00 0.00 41.25 41.52 1q4j s ASN 157 CO -0.03 -0.26 1.33 -0.11 0.02 0.00 0.00 177.10 178.05 1q4j n LEU 158 N 1.37 4.15 -4.34 0.60 0.00 -1.26 -4.75 117.00 112.76 1q4j n LEU 158 Ca -0.22 1.15 -0.18 0.00 0.00 0.00 0.00 56.01 56.77 1q4j n LEU 158 Cb 0.55 -1.53 -0.10 0.00 0.00 0.00 0.00 43.42 42.34 1q4j n LEU 158 CO 0.21 -0.42 -0.33 0.42 0.00 0.00 0.00 177.39 177.27 1q4j s THR 159 N -1.16 1.08 0.62 1.96 -4.23 -1.26 -4.61 115.64 108.04 1q4j s THR 159 Ca 0.58 -2.04 0.34 0.00 -1.18 0.00 0.00 61.69 59.39 1q4j s THR 159 Cb -0.51 -2.38 0.37 0.00 1.34 0.00 0.00 72.50 71.33 1q4j s THR 159 CO 0.60 -0.30 2.17 0.10 -0.54 0.00 0.00 174.62 176.65 1q4j h TYR 160 N 2.44 0.00 -0.69 3.99 -0.00 -1.57 -0.10 116.97 121.04 1q4j h TYR 160 Ca -0.39 0.00 -0.06 0.00 0.00 0.00 0.00 58.73 58.28 1q4j h TYR 160 Cb 1.22 0.00 -0.03 0.00 0.00 0.00 0.00 36.73 37.93 1q4j h TYR 160 CO 0.58 0.00 0.18 0.00 -0.00 0.00 0.00 178.16 178.92 1q4j h ALA 161 N 1.79 1.01 -0.04 0.10 0.00 -1.84 0.22 119.26 120.51 1q4j h ALA 161 Ca 0.04 -0.24 0.02 0.00 0.00 0.00 0.00 54.91 54.73 1q4j h ALA 161 Cb 0.31 -0.27 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1q4j h ALA 161 CO -0.00 0.65 -0.09 -0.44 0.00 0.00 0.00 179.25 179.37 1q4j h ASP 162 N 1.04 -0.27 -0.27 0.00 3.32 -1.40 -0.44 116.42 118.40 1q4j h ASP 162 Ca 0.22 0.05 -0.04 0.00 0.02 0.00 0.00 57.03 57.27 1q4j h ASP 162 Cb 0.34 0.12 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1q4j h ASP 162 CO -0.00 -0.13 0.03 -0.07 -1.72 0.00 0.00 179.24 177.36 1q4j h LEU 163 N -0.14 0.51 -0.30 1.55 3.38 -1.37 -0.33 115.31 118.62 1q4j h LEU 163 Ca 0.05 -0.09 -0.08 0.00 0.09 0.00 0.00 57.88 57.85 1q4j h LEU 163 Cb 0.20 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.81 1q4j h LEU 163 CO -0.12 0.56 -0.13 0.00 0.09 0.00 0.00 178.44 178.84 1q4j h ALA 164 N 1.51 0.42 -0.39 1.53 0.00 -0.19 -0.62 119.26 121.52 1q4j h ALA 164 Ca 0.12 -0.32 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 1q4j h ALA 164 Cb 0.29 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.97 1q4j h ALA 164 CO 0.01 0.30 -0.03 0.28 0.00 0.00 0.00 179.25 179.80 1q4j h VAL 165 N 0.37 1.27 -0.23 0.00 2.07 -0.86 0.23 116.25 119.09 1q4j h VAL 165 Ca 0.07 -1.06 0.06 0.00 0.82 0.00 0.00 66.70 66.58 1q4j h VAL 165 Cb 0.65 1.18 -0.06 0.00 -1.52 0.00 0.00 31.29 31.54 1q4j h VAL 165 CO 0.04 0.35 -0.14 0.15 0.02 0.00 0.00 177.57 177.99 1q4j h PHE 166 N 0.52 -0.35 -0.81 1.57 3.04 -0.95 -0.80 116.94 119.15 1q4j h PHE 166 Ca 0.11 0.03 -0.03 0.00 3.98 0.00 0.00 57.97 62.05 1q4j h PHE 166 Cb 0.52 0.19 -0.04 0.00 2.56 0.00 0.00 35.95 39.18 1q4j h PHE 166 CO 0.04 -0.21 0.39 -0.97 -2.02 0.00 0.00 178.31 175.54 1q4j h ASN 167 N -0.13 1.06 0.33 0.41 -1.24 -0.78 0.44 115.58 115.67 1q4j h ASN 167 Ca 0.13 -0.12 -0.00 0.00 0.71 0.00 0.00 56.30 57.01 1q4j h ASN 167 Cb 0.32 -0.27 -0.02 0.00 0.73 0.00 0.00 38.32 39.09 1q4j h ASN 167 CO -0.31 0.89 -0.27 0.25 -1.29 0.00 0.00 177.43 176.69 1q4j h LEU 168 N 1.15 -0.72 0.00 0.34 5.85 -0.27 -1.96 115.31 119.70 1q4j h LEU 168 Ca 0.28 0.06 0.00 0.00 0.84 0.00 0.00 57.88 59.06 1q4j h LEU 168 Cb 0.11 0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.38 1q4j h LEU 168 CO -0.04 -0.41 -0.10 1.88 -0.34 0.00 0.00 178.44 179.43 1q4j h TYR 169 N -0.61 0.00 -0.36 1.25 -1.99 -0.68 -1.92 116.97 112.65 1q4j h TYR 169 Ca -0.02 0.00 -0.01 0.00 2.00 0.00 0.00 58.73 60.70 1q4j h TYR 169 Cb 0.54 0.00 -0.02 0.00 2.00 0.00 0.00 36.73 39.26 1q4j h TYR 169 CO -0.15 0.00 0.20 0.22 -0.00 0.00 0.00 178.16 178.43 1q4j h ASP 170 N 0.00 0.45 -0.25 3.88 3.58 -0.04 0.04 116.42 124.08 1q4j h ASP 170 Ca 0.00 -0.08 -0.03 0.00 0.42 0.00 0.00 57.03 57.34 1q4j h ASP 170 Cb 0.91 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 41.83 1q4j h ASP 170 CO 0.00 0.40 0.04 -0.78 -2.88 0.00 0.00 179.24 176.03 1q4j h ASP 171 N 0.46 0.40 -0.31 2.28 3.58 -1.17 -2.98 116.42 118.68 1q4j h ASP 171 Ca 0.13 -0.25 -0.08 0.00 0.42 0.00 0.00 57.03 57.24 1q4j h ASP 171 Cb 0.05 -0.11 -0.01 0.00 1.72 0.00 0.00 39.33 40.98 1q4j h ASP 171 CO -0.02 0.55 -0.12 0.40 -2.88 0.00 0.00 179.24 177.17 1q4j h ILE 172 N 0.23 1.29 -0.13 2.25 2.04 -1.30 -2.97 117.51 118.91 1q4j h ILE 172 Ca 0.08 -1.20 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1q4j h ILE 172 Cb 0.32 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.80 1q4j h ILE 172 CO 0.00 0.39 0.13 -0.33 0.00 0.00 0.00 178.15 178.34 1q4j h GLU 173 N 0.40 0.00 0.03 2.37 5.08 -0.96 0.04 114.58 121.53 1q4j h GLU 173 Ca 0.07 0.00 -0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1q4j h GLU 173 Cb 0.63 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.88 1q4j h GLU 173 CO 0.04 0.00 -0.01 1.79 -1.00 0.00 0.00 179.01 179.82 1q4j h THR 174 N 0.00 1.08 -0.04 1.13 1.35 -1.36 -2.81 112.91 112.26 1q4j h THR 174 Ca 0.06 -0.33 -0.17 0.00 -0.55 0.00 0.00 66.41 65.42 1q4j h THR 174 Cb 0.33 1.30 0.01 0.00 -1.73 0.00 0.00 68.15 68.06 1q4j h THR 174 CO -0.00 0.08 -0.64 0.11 -0.25 0.00 0.00 175.52 174.83 1q4j h LYS 175 N -0.18 0.50 -2.40 4.72 1.79 -1.43 -3.39 116.57 116.18 1q4j h LYS 175 Ca -0.00 -0.49 -0.60 0.00 -2.18 0.00 0.00 60.65 57.38 1q4j h LYS 175 Cb 0.17 0.13 -0.41 0.00 -1.58 0.00 0.00 32.23 30.53 1q4j h LYS 175 CO 0.01 1.12 -0.72 0.66 -1.08 0.00 0.00 179.45 179.44 1q4j n TYR 176 N -4.16 2.35 0.16 -1.35 4.02 -0.08 -4.99 117.16 113.10 1q4j n TYR 176 Ca -0.10 -4.00 0.18 0.00 -0.01 0.00 0.00 57.90 53.97 1q4j n TYR 176 Cb 0.68 -0.45 0.78 0.00 -0.02 0.00 0.00 39.34 40.33 1q4j n TYR 176 CO 0.00 0.00 0.00 -1.00 -1.01 0.00 0.00 176.86 174.85 1q4j h PRO 177 N 4.59 0.00 -0.55 -0.72 0.13 -1.70 -1.34 132.00 132.41 1q4j h PRO 177 Ca 0.17 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.30 1q4j h PRO 177 Cb 0.75 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.88 1q4j h PRO 177 CO 0.69 0.00 0.00 -1.13 -0.23 0.00 0.00 178.00 177.33 1q4j n SER 178 N -3.93 2.95 0.26 1.44 3.41 -1.26 -4.56 113.62 111.92 1q4j n SER 178 Ca 0.04 -2.18 0.10 0.00 -0.26 0.00 0.00 58.87 56.57 1q4j n SER 178 Cb 0.40 -0.41 0.68 0.00 -0.26 0.00 0.00 64.21 64.63 1q4j n SER 178 CO 0.00 0.00 0.00 0.77 -0.16 0.00 0.00 175.04 175.65 1q4j h SER 179 N 2.66 0.00 -0.62 4.04 4.64 -1.61 -1.50 113.55 121.16 1q4j h SER 179 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1q4j h SER 179 Cb 0.87 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.96 1q4j h SER 179 CO 0.09 0.09 0.00 0.18 -0.87 0.00 0.00 176.83 176.33 1q4j n LEU 180 N -4.08 5.02 0.21 5.97 4.77 -1.26 -4.51 117.00 123.12 1q4j n LEU 180 Ca -0.03 -2.54 0.09 0.00 -0.03 0.00 0.00 56.01 53.51 1q4j n LEU 180 Cb 0.18 -0.61 0.43 0.00 -2.33 0.00 0.00 43.42 41.08 1q4j n LEU 180 CO 0.32 0.74 0.77 0.07 -1.33 0.00 0.00 177.39 177.97 1q4j h LYS 181 N 4.02 0.00 -0.25 3.23 2.10 -1.62 -2.75 116.57 121.31 1q4j h LYS 181 Ca 0.00 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.65 1q4j h LYS 181 Cb 1.61 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 32.94 1q4j h LYS 181 CO 0.31 0.26 0.00 0.09 -2.00 0.00 0.00 179.45 178.11 1q4j n ASN 182 N -3.42 2.53 -3.50 7.07 3.02 -1.26 -4.58 115.26 115.12 1q4j n ASN 182 Ca 0.00 -1.85 -0.27 0.00 -0.03 0.00 0.00 54.58 52.43 1q4j n ASN 182 Cb 0.45 -0.16 -0.10 0.00 -0.61 0.00 0.00 39.78 39.36 1q4j n ASN 182 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1q4j n PHE 183 N 0.90 1.08 -0.01 3.10 3.01 -1.04 -4.99 117.46 119.51 1q4j n PHE 183 Ca 0.17 -3.77 0.00 0.00 1.01 0.00 0.00 57.45 54.86 1q4j n PHE 183 Cb 0.47 -0.23 0.30 0.00 -0.01 0.00 0.00 39.48 40.01 1q4j n PHE 183 CO 0.00 0.00 0.00 -1.35 1.01 0.00 0.00 176.76 176.42 1q4j h PRO 184 N 5.02 0.56 -0.19 -1.08 0.11 -1.81 0.29 132.00 134.90 1q4j h PRO 184 Ca 0.19 -0.10 -0.19 0.00 0.11 0.00 0.00 66.00 66.00 1q4j h PRO 184 Cb 0.82 -0.09 0.01 0.00 0.11 0.00 0.00 31.00 31.85 1q4j h PRO 184 CO 0.56 0.54 -0.63 -0.07 -0.21 0.00 0.00 178.00 178.19 1q4j h LEU 185 N 0.54 0.90 -0.79 2.35 3.38 -1.94 -0.75 115.31 119.01 1q4j h LEU 185 Ca 0.12 -0.59 -0.05 0.00 0.09 0.00 0.00 57.88 57.45 1q4j h LEU 185 Cb 0.27 -0.26 -0.03 0.00 0.09 0.00 0.00 40.66 40.72 1q4j h LEU 185 CO 0.00 1.33 0.31 0.25 0.09 0.00 0.00 178.44 180.43 1q4j h LEU 186 N 0.51 1.09 -0.22 1.67 5.85 -1.87 0.18 115.31 122.51 1q4j h LEU 186 Ca -0.02 -0.17 -0.04 0.00 0.84 0.00 0.00 57.88 58.48 1q4j h LEU 186 Cb 1.26 -0.28 -0.01 0.00 0.37 0.00 0.00 40.66 42.00 1q4j h LEU 186 CO 0.13 0.96 -0.04 0.50 -0.34 0.00 0.00 178.44 179.66 1q4j h LYS 187 N 1.15 0.41 -0.07 1.25 3.64 -0.79 -0.70 116.57 121.46 1q4j h LYS 187 Ca 0.26 -0.15 0.00 0.00 -1.27 0.00 0.00 60.65 59.49 1q4j h LYS 187 Cb 0.22 -0.03 -0.00 0.00 -0.41 0.00 0.00 32.23 32.01 1q4j h LYS 187 CO -0.02 0.64 0.04 0.00 -2.27 0.00 0.00 179.45 177.84 1q4j h ALA 188 N 0.76 0.09 -0.81 5.00 0.00 -0.99 -1.02 119.26 122.29 1q4j h ALA 188 Ca 0.06 -0.02 0.15 0.00 0.00 0.00 0.00 54.91 55.10 1q4j h ALA 188 Cb 0.48 -0.03 -0.15 0.00 0.00 0.00 0.00 17.79 18.09 1q4j h ALA 188 CO 0.02 -0.40 -0.29 1.25 0.00 0.00 0.00 179.25 179.82 1q4j h HIS 189 N 0.07 -0.74 -0.72 0.00 -0.00 -0.55 0.15 115.15 113.36 1q4j h HIS 189 Ca 0.03 0.08 -0.05 0.00 -0.00 0.00 0.00 60.37 60.43 1q4j h HIS 189 Cb 0.01 0.45 -0.03 0.00 -0.00 0.00 0.00 27.41 27.84 1q4j h HIS 189 CO -0.07 -0.38 0.25 -0.97 -0.00 0.00 0.00 177.93 176.76 1q4j h ASN 190 N -0.05 1.03 -0.21 3.26 -1.24 -0.26 -1.87 115.58 116.25 1q4j h ASN 190 Ca 0.34 -0.18 -0.11 0.00 0.71 0.00 0.00 56.30 57.06 1q4j h ASN 190 Cb 0.59 -0.27 -0.00 0.00 0.73 0.00 0.00 38.32 39.37 1q4j h ASN 190 CO -0.84 0.94 -0.31 -0.33 -1.29 0.00 0.00 177.43 175.60 1q4j h GLU 191 N 1.07 0.57 -0.25 6.67 5.08 -0.46 -2.12 114.58 125.14 1q4j h GLU 191 Ca 0.24 -0.34 0.05 0.00 -1.00 0.00 0.00 59.36 58.31 1q4j h GLU 191 Cb 0.27 0.03 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1q4j h GLU 191 CO -0.01 0.94 -0.07 0.35 -1.00 0.00 0.00 179.01 179.22 1q4j h PHE 192 N 0.25 -0.16 -0.53 4.33 3.57 -0.51 -2.05 116.94 121.83 1q4j h PHE 192 Ca 0.02 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.54 1q4j h PHE 192 Cb 0.89 0.11 -0.03 0.00 2.79 0.00 0.00 35.95 39.71 1q4j h PHE 192 CO 0.09 -0.12 0.32 0.82 -2.23 0.00 0.00 178.31 177.18 1q4j h ILE 193 N -0.02 1.16 0.00 1.41 1.08 -1.32 -2.77 117.51 117.05 1q4j h ILE 193 Ca 0.12 -0.37 0.00 0.00 -0.39 0.00 0.00 64.86 64.23 1q4j h ILE 193 Cb 0.20 0.45 0.00 0.00 -3.07 0.00 0.00 36.82 34.41 1q4j h ILE 193 CO -0.27 0.17 0.00 0.77 -0.69 0.00 0.00 178.15 178.13 1q4j h SER 194 N 0.71 0.00 -0.02 1.72 4.64 -1.06 -2.35 113.55 117.19 1q4j h SER 194 Ca 0.19 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.51 1q4j h SER 194 Cb -0.01 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.08 1q4j h SER 194 CO -0.04 0.00 -0.31 0.59 -0.87 0.00 0.00 176.83 176.21 1q4j n ASN 195 N -2.39 2.13 -4.70 4.97 4.13 -0.80 -3.16 115.26 115.44 1q4j n ASN 195 Ca 0.02 -1.57 -0.44 0.00 1.68 0.00 0.00 54.58 54.28 1q4j n ASN 195 Cb 0.24 0.34 -0.03 0.00 -1.54 0.00 0.00 39.78 38.80 1q4j n ASN 195 CO 0.00 0.00 0.00 0.18 0.28 0.00 0.00 177.26 177.72 1q4j n LEU 196 N 0.29 3.69 -0.15 3.41 4.77 -0.88 -4.70 117.00 123.42 1q4j n LEU 196 Ca 0.09 1.10 -0.05 0.00 -0.03 0.00 0.00 56.01 57.12 1q4j n LEU 196 Cb 0.45 -1.51 0.01 0.00 -2.33 0.00 0.00 43.42 40.04 1q4j n LEU 196 CO 0.22 -0.06 0.68 -0.65 -1.33 0.00 0.00 177.39 176.25 1q4j h PRO 197 N 5.71 -0.15 -0.60 3.23 0.11 -1.91 0.38 132.00 138.78 1q4j h PRO 197 Ca -0.45 0.01 -0.02 0.00 0.11 0.00 0.00 66.00 65.65 1q4j h PRO 197 Cb 1.23 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 32.35 1q4j h PRO 197 CO 0.87 -0.10 0.29 -0.91 -0.21 0.00 0.00 178.00 177.95 1q4j h ASN 198 N -0.15 0.76 -0.02 -2.05 -0.26 -1.89 -1.54 115.58 110.43 1q4j h ASN 198 Ca 0.22 -0.07 -0.06 0.00 -0.56 0.00 0.00 56.30 55.83 1q4j h ASN 198 Cb 0.50 -0.19 0.00 0.00 -1.06 0.00 0.00 38.32 37.57 1q4j h ASN 198 CO -0.57 0.64 -0.22 0.40 -1.06 0.00 0.00 177.43 176.61 1q4j h ILE 199 N 0.84 1.52 -0.57 2.81 2.04 -1.55 -2.51 117.51 120.10 1q4j h ILE 199 Ca 0.21 -1.84 0.11 0.00 1.00 0.00 0.00 64.86 64.34 1q4j h ILE 199 Cb 0.08 2.65 -0.11 0.00 -0.74 0.00 0.00 36.82 38.70 1q4j h ILE 199 CO -0.03 0.50 -0.15 0.50 0.00 0.00 0.00 178.15 178.97 1q4j h LYS 200 N -0.46 -0.01 -0.36 2.37 3.64 -0.10 -1.08 116.57 120.57 1q4j h LYS 200 Ca -0.02 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.36 1q4j h LYS 200 Cb 0.94 0.00 -0.02 0.00 -0.41 0.00 0.00 32.23 32.75 1q4j h LYS 200 CO 0.04 -0.01 0.23 -0.97 -2.27 0.00 0.00 179.45 176.48 1q4j h ASN 201 N -0.01 0.42 -0.75 4.20 -0.00 -1.32 -1.52 115.58 116.59 1q4j h ASN 201 Ca 0.27 -0.02 -0.03 0.00 -0.00 0.00 0.00 56.30 56.52 1q4j h ASN 201 Cb 0.42 -0.10 -0.03 0.00 -0.00 0.00 0.00 38.32 38.61 1q4j h ASN 201 CO -0.59 0.31 0.34 0.22 -0.00 0.00 0.00 177.43 177.71 1q4j h TYR 202 N 0.48 1.09 -0.22 0.67 5.03 -1.03 -2.49 116.97 120.51 1q4j h TYR 202 Ca 0.13 -0.06 -0.15 0.00 2.58 0.00 0.00 58.73 61.23 1q4j h TYR 202 Cb -0.04 -0.34 -0.01 0.00 1.55 0.00 0.00 36.73 37.89 1q4j h TYR 202 CO -0.05 0.82 -0.48 0.82 -1.32 0.00 0.00 178.16 177.94 1q4j h ILE 203 N 1.06 1.31 -0.37 1.81 2.04 -0.99 -0.67 117.51 121.70 1q4j h ILE 203 Ca 0.25 -1.70 -0.07 0.00 1.00 0.00 0.00 64.86 64.35 1q4j h ILE 203 Cb 0.15 1.67 -0.01 0.00 -0.74 0.00 0.00 36.82 37.89 1q4j h ILE 203 CO -0.03 0.53 -0.04 0.71 0.00 0.00 0.00 178.15 179.32 1q4j h THR 204 N 0.46 1.27 0.00 -0.27 1.35 -1.16 -2.88 112.91 111.67 1q4j h THR 204 Ca 0.02 -1.07 0.00 0.00 -0.55 0.00 0.00 66.41 64.81 1q4j h THR 204 Cb 1.01 1.22 0.00 0.00 -1.73 0.00 0.00 68.15 68.65 1q4j h THR 204 CO 0.09 0.35 0.00 -3.20 -0.25 0.00 0.00 175.52 172.52 1q4j n ASN 205 N -4.44 0.21 -4.75 5.36 5.15 -0.95 -4.87 115.26 110.97 1q4j n ASN 205 Ca -0.02 0.52 -0.41 0.00 -0.60 0.00 0.00 54.58 54.08 1q4j n ASN 205 Cb 0.31 -0.58 -0.02 0.00 -0.53 0.00 0.00 39.78 38.96 1q4j n ASN 205 CO 0.00 0.00 0.00 -0.60 1.40 0.00 0.00 177.26 178.06 1q4j s ARG 206 N -3.03 4.31 0.65 1.20 3.52 -0.26 -5.00 118.95 120.34 1q4j s ARG 206 Ca 0.12 2.24 -0.15 0.00 -0.13 0.00 0.00 55.73 57.81 1q4j s ARG 206 Cb 0.16 -3.10 -0.00 0.00 -1.56 0.00 0.00 34.95 30.45 1q4j s ARG 206 CO 0.52 -0.31 1.12 -1.59 -0.81 0.00 0.00 175.30 174.23 1q4j s LYS 207 N -0.91 2.78 0.52 5.12 -2.85 -1.26 -5.01 119.74 118.13 1q4j s LYS 207 Ca 0.55 1.45 -0.17 0.00 -1.00 0.00 0.00 55.97 56.80 1q4j s LYS 207 Cb -0.40 -1.94 -0.07 0.00 -2.06 0.00 0.00 37.83 33.35 1q4j s LYS 207 CO 0.47 -1.27 1.01 -2.00 0.10 0.00 0.00 175.35 173.65 1q4j s GLU 208 N -3.99 3.80 0.09 1.78 2.12 -1.26 -5.06 118.70 116.18 1q4j s GLU 208 Ca 0.68 1.10 -0.09 0.00 0.36 0.00 0.00 54.97 57.02 1q4j s GLU 208 Cb -0.22 -2.11 -0.00 0.00 0.26 0.00 0.00 34.13 32.06 1q4j s GLU 208 CO 0.40 -0.40 0.19 -1.54 -0.54 0.00 0.00 175.26 173.38 1q4j s SER 209 N -2.72 0.12 0.14 -1.70 1.04 -1.26 -5.05 113.70 104.27 1q4j s SER 209 Ca 0.62 -0.66 -0.05 0.00 0.48 0.00 0.00 55.95 56.34 1q4j s SER 209 Cb -0.12 0.34 -0.06 0.00 0.10 0.00 0.00 66.02 66.28 1q4j s SER 209 CO 0.29 -0.73 1.34 0.58 0.98 0.00 0.00 173.24 175.69 1q4j h VAL 210 N 2.74 1.38 0.00 5.02 2.07 -1.98 -3.50 116.25 121.98 1q4j h VAL 210 Ca -0.34 -2.29 0.00 0.00 0.82 0.00 0.00 66.70 64.89 1q4j h VAL 210 Cb 1.20 2.27 0.00 0.00 -1.52 0.00 0.00 31.29 33.24 1q4j h VAL 210 CO 0.56 0.69 0.00 0.00 0.02 0.00 0.00 177.57 178.84