#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nqa s VAL 1 N 0.00 4.77 -0.11 0.00 0.11 -0.77 -4.84 120.40 119.55 1nqa s VAL 1 Ca 0.00 2.01 -0.30 0.00 -2.93 0.00 0.00 61.98 60.76 1nqa s VAL 1 Cb 0.00 -4.29 -0.01 0.00 -1.53 0.00 0.00 36.38 30.54 1nqa s VAL 1 CO 0.00 0.22 1.05 -0.54 -3.33 0.00 0.00 175.10 172.51 1nqa s LYS 2 N 0.66 4.38 0.08 1.54 1.02 -1.26 -1.45 119.74 124.72 1nqa s LYS 2 Ca 0.49 1.45 0.10 0.00 0.02 0.00 0.00 55.97 58.02 1nqa s LYS 2 Cb -0.21 -3.56 -0.03 0.00 -0.52 0.00 0.00 37.83 33.50 1nqa s LYS 2 CO 0.28 -0.39 -0.25 0.08 -0.92 0.00 0.00 175.35 174.15 1nqa s VAL 3 N 2.26 2.35 0.04 3.17 1.01 0.67 -2.02 120.40 127.88 1nqa s VAL 3 Ca 0.49 -1.51 0.07 0.00 0.00 0.00 0.00 61.98 61.03 1nqa s VAL 3 Cb -0.19 -1.99 -0.02 0.00 0.00 0.00 0.00 36.38 34.17 1nqa s VAL 3 CO 0.17 0.23 -0.20 -0.83 0.00 0.00 0.00 175.10 174.47 1nqa s GLY 4 N -1.67 1.09 -0.18 4.51 0.00 -0.25 -1.36 107.32 109.46 1nqa s GLY 4 Ca 0.14 -1.03 -0.00 0.00 0.00 0.00 0.00 44.72 43.82 1nqa s GLY 4 CO 0.05 -0.96 -0.15 -0.42 0.00 0.00 0.00 173.10 171.62 1nqa s ILE 5 N -0.78 2.56 -0.41 0.90 1.01 -0.66 -0.61 121.20 123.21 1nqa s ILE 5 Ca 0.07 -0.78 -0.12 0.00 0.00 0.00 0.00 60.65 59.82 1nqa s ILE 5 Cb -0.09 -2.10 0.05 0.00 0.01 0.00 0.00 42.46 40.33 1nqa s ILE 5 CO 0.02 0.50 0.27 0.21 0.00 0.00 0.00 174.94 175.94 1nqa s ASN 6 N 1.18 5.83 0.00 3.58 2.47 0.18 -0.64 114.94 127.54 1nqa s ASN 6 Ca 0.02 -1.23 0.00 0.00 0.42 0.00 0.00 52.86 52.07 1nqa s ASN 6 Cb -0.14 -2.06 0.00 0.00 -1.45 0.00 0.00 41.25 37.60 1nqa s ASN 6 CO -0.06 -0.50 0.00 0.61 -3.72 0.00 0.00 177.10 173.43 1nqa n GLY 7 N 5.03 0.15 2.37 1.21 0.00 0.77 -0.46 105.19 114.26 1nqa n GLY 7 Ca -0.11 -0.71 -0.31 0.00 0.00 0.00 0.00 46.02 44.89 1nqa n GLY 7 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1nqa n PHE 8 N 0.00 1.82 -0.16 1.61 7.35 -1.17 -3.85 117.46 123.07 1nqa n PHE 8 Ca 0.00 -2.37 0.00 0.00 -0.76 0.00 0.00 57.45 54.32 1nqa n PHE 8 Cb 0.00 -1.77 0.00 0.00 0.35 0.00 0.00 39.48 38.06 1nqa n PHE 8 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1nqa n GLY 9 N 1.90 1.65 0.09 7.13 0.00 -1.26 -4.39 105.19 110.31 1nqa n GLY 9 Ca 0.58 -1.68 -0.13 0.00 0.00 0.00 0.00 46.02 44.79 1nqa n GLY 9 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 1nqa h ARG 10 N 0.00 -0.14 -0.13 1.61 2.47 -1.92 0.17 114.38 116.43 1nqa h ARG 10 Ca 0.00 0.01 -0.14 0.00 -1.26 0.00 0.00 59.98 58.59 1nqa h ARG 10 Cb 0.00 0.03 0.01 0.00 -1.65 0.00 0.00 29.97 28.36 1nqa h ARG 10 CO 0.00 -0.06 -0.48 0.82 0.56 0.00 0.00 179.97 180.82 1nqa h ILE 11 N -0.19 1.35 -0.28 2.04 1.08 -1.90 -2.58 117.51 117.04 1nqa h ILE 11 Ca -0.02 -1.77 0.05 0.00 -0.39 0.00 0.00 64.86 62.74 1nqa h ILE 11 Cb 0.15 2.09 -0.05 0.00 -3.07 0.00 0.00 36.82 35.95 1nqa h ILE 11 CO 0.02 0.54 -0.04 1.23 -0.69 0.00 0.00 178.15 179.21 1nqa h GLY 12 N 0.18 0.23 1.47 5.37 0.00 -1.65 0.14 103.07 108.81 1nqa h GLY 12 Ca -0.02 0.07 -0.15 0.00 0.00 0.00 0.00 47.33 47.23 1nqa h GLY 12 CO 0.10 -0.09 -0.46 3.21 0.00 0.00 0.00 176.54 179.30 1nqa h ARG 13 N 0.03 0.57 0.00 4.80 3.08 -1.04 -2.01 114.38 119.82 1nqa h ARG 13 Ca 0.13 -0.32 -0.11 0.00 0.07 0.00 0.00 59.98 59.76 1nqa h ARG 13 Cb 0.19 0.02 -0.02 0.00 0.08 0.00 0.00 29.97 30.25 1nqa h ARG 13 CO -0.26 0.92 -0.52 -0.91 -1.07 0.00 0.00 179.97 178.13 1nqa h ASN 14 N 0.46 0.00 -0.28 7.04 2.35 -1.24 -1.17 115.58 122.75 1nqa h ASN 14 Ca 0.03 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.65 1nqa h ASN 14 Cb 0.98 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.34 1nqa h ASN 14 CO 0.09 0.52 -0.29 0.58 -1.65 0.00 0.00 177.43 176.68 1nqa h VAL 15 N 0.00 1.28 -0.70 2.81 2.07 -0.59 -1.69 116.25 119.43 1nqa h VAL 15 Ca -0.01 -1.43 -0.01 0.00 0.82 0.00 0.00 66.70 66.08 1nqa h VAL 15 Cb 1.16 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.19 1nqa h VAL 15 CO 0.07 0.47 0.41 0.15 0.02 0.00 0.00 177.57 178.69 1nqa h PHE 16 N 0.67 0.95 -0.53 1.57 3.57 -0.73 0.12 116.94 122.55 1nqa h PHE 16 Ca 0.08 -0.01 -0.01 0.00 3.53 0.00 0.00 57.97 61.56 1nqa h PHE 16 Cb 0.82 -0.31 -0.02 0.00 2.79 0.00 0.00 35.95 39.23 1nqa h PHE 16 CO 0.04 0.65 0.29 0.00 -2.23 0.00 0.00 178.31 177.07 1nqa h ARG 17 N 0.96 0.74 -0.63 1.11 3.08 -0.90 -1.72 114.38 117.02 1nqa h ARG 17 Ca 0.25 -0.09 -0.07 0.00 0.07 0.00 0.00 59.98 60.14 1nqa h ARG 17 Cb 0.00 -0.14 -0.03 0.00 0.08 0.00 0.00 29.97 29.88 1nqa h ARG 17 CO -0.04 0.57 0.10 0.00 -1.07 0.00 0.00 179.97 179.53 1nqa h ALA 18 N 1.13 1.00 -0.48 0.04 0.00 -0.86 -2.75 119.26 117.33 1nqa h ALA 18 Ca 0.19 -0.26 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1nqa h ALA 18 Cb 0.05 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1nqa h ALA 18 CO -0.03 0.63 0.25 0.00 0.00 0.00 0.00 179.25 180.11 1nqa h ALA 19 N 1.15 1.54 0.00 0.00 0.00 -0.29 -0.77 119.26 120.88 1nqa h ALA 19 Ca 0.19 -0.08 -0.01 0.00 0.00 0.00 0.00 54.91 55.01 1nqa h ALA 19 Cb 0.41 -0.20 -0.00 0.00 0.00 0.00 0.00 17.79 18.00 1nqa h ALA 19 CO 0.01 0.38 -0.03 -0.07 0.00 0.00 0.00 179.25 179.54 1nqa h LEU 20 N 0.67 0.00 -0.09 0.00 3.38 -1.02 -1.41 115.31 116.84 1nqa h LEU 20 Ca 0.17 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.14 1nqa h LEU 20 Cb 0.04 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.79 1nqa h LEU 20 CO -0.03 0.03 -0.51 0.29 0.09 0.00 0.00 178.44 178.31 1nqa n LYS 21 N -3.75 0.15 -3.81 1.13 5.02 -0.31 -4.77 118.16 111.81 1nqa n LYS 21 Ca -0.03 -0.09 -0.37 0.00 -2.02 0.00 0.00 58.31 55.80 1nqa n LYS 21 Cb 0.12 -1.50 -0.13 0.00 -0.02 0.00 0.00 35.03 33.50 1nqa n LYS 21 CO 0.00 0.00 0.00 1.21 -0.52 0.00 0.00 177.40 178.09 1nqa s ASN 22 N -2.92 5.17 0.64 4.39 3.84 -0.53 -4.98 114.94 120.54 1nqa s ASN 22 Ca 0.13 -1.27 0.40 0.00 0.21 0.00 0.00 52.86 52.33 1nqa s ASN 22 Cb 0.18 -1.81 2.17 0.00 -0.55 0.00 0.00 41.25 41.24 1nqa s ASN 22 CO 0.69 -0.33 2.30 1.55 -2.79 0.00 0.00 177.10 178.52 1nqa h PRO 23 N 8.13 0.00 -0.00 0.43 0.13 -1.86 -2.23 132.00 136.60 1nqa h PRO 23 Ca -0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.91 1nqa h PRO 23 Cb 1.07 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.20 1nqa h PRO 23 CO 0.59 0.01 -0.13 -0.25 -0.23 0.00 0.00 178.00 177.98 1nqa n ASP 24 N -3.24 0.45 -4.19 1.44 8.00 -1.26 -2.97 116.55 114.78 1nqa n ASP 24 Ca -0.03 -0.46 -0.33 0.00 0.71 0.00 0.00 54.79 54.69 1nqa n ASP 24 Cb 0.11 -0.08 -0.16 0.00 -0.02 0.00 0.00 41.12 40.97 1nqa n ASP 24 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqa s ILE 25 N -2.56 2.19 -0.27 0.53 -1.09 -0.84 -1.85 121.20 117.32 1nqa s ILE 25 Ca 0.26 -0.93 0.02 0.00 -2.23 0.00 0.00 60.65 57.77 1nqa s ILE 25 Cb 0.20 -1.89 0.07 0.00 -1.58 0.00 0.00 42.46 39.26 1nqa s ILE 25 CO 0.50 0.54 -0.05 -0.70 -1.23 0.00 0.00 174.94 174.00 1nqa s GLU 26 N 0.81 1.79 -0.36 2.79 2.12 -0.53 -4.70 118.70 120.63 1nqa s GLU 26 Ca -0.07 -1.28 -0.28 0.00 0.36 0.00 0.00 54.97 53.71 1nqa s GLU 26 Cb -0.15 -2.78 0.02 0.00 0.26 0.00 0.00 34.13 31.48 1nqa s GLU 26 CO -0.01 -0.66 1.02 0.08 -0.54 0.00 0.00 175.26 175.14 1nqa s VAL 27 N 1.21 4.50 -0.82 3.70 1.01 -1.26 -0.24 120.40 128.50 1nqa s VAL 27 Ca -0.04 1.45 0.16 0.00 0.00 0.00 0.00 61.98 63.56 1nqa s VAL 27 Cb -0.19 -4.40 -0.17 0.00 0.00 0.00 0.00 36.38 31.61 1nqa s VAL 27 CO -0.07 -0.57 0.71 1.33 0.00 0.00 0.00 175.10 176.51 1nqa n VAL 28 N 6.03 0.00 -3.53 2.92 0.24 -0.46 -4.86 118.33 118.67 1nqa n VAL 28 Ca 0.10 -0.12 -0.13 0.00 -2.04 0.00 0.00 64.34 62.15 1nqa n VAL 28 Cb 0.48 1.01 -0.05 0.00 -1.47 0.00 0.00 33.84 33.81 1nqa n VAL 28 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1nqa s ALA 29 N -2.53 -1.82 0.06 2.33 0.00 -1.25 -1.51 121.76 117.03 1nqa s ALA 29 Ca 0.07 1.29 0.02 0.00 0.00 0.00 0.00 51.96 53.34 1nqa s ALA 29 Cb 0.13 -0.12 -0.03 0.00 0.00 0.00 0.00 23.12 23.10 1nqa s ALA 29 CO 0.67 -0.43 -0.07 0.14 0.00 0.00 0.00 175.76 176.06 1nqa s VAL 30 N -1.70 0.52 0.02 0.00 -7.23 0.35 -1.65 120.40 110.71 1nqa s VAL 30 Ca -0.04 -1.36 0.04 0.00 -1.81 0.00 0.00 61.98 58.81 1nqa s VAL 30 Cb -0.00 -0.95 -0.02 0.00 0.56 0.00 0.00 36.38 35.97 1nqa s VAL 30 CO 0.02 -0.58 -0.12 0.21 -0.31 0.00 0.00 175.10 174.32 1nqa s ASN 31 N -2.09 1.41 0.00 4.85 2.47 0.19 -0.66 114.94 121.11 1nqa s ASN 31 Ca -0.03 -0.38 0.00 0.00 0.42 0.00 0.00 52.86 52.87 1nqa s ASN 31 Cb -0.04 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.66 1nqa s ASN 31 CO -0.02 0.04 0.00 -0.67 -3.72 0.00 0.00 177.10 172.73 1nqa n ASP 32 N 2.16 0.00 -1.47 -4.21 -0.08 -1.01 -0.16 116.55 111.78 1nqa n ASP 32 Ca -0.17 0.00 -0.08 0.00 -1.51 0.00 0.00 54.79 53.03 1nqa n ASP 32 Cb 0.55 0.00 0.10 0.00 2.34 0.00 0.00 41.12 44.11 1nqa n ASP 32 CO 0.00 0.00 0.00 0.18 0.12 0.00 0.00 177.20 177.50 1nqa n LEU 33 N 0.00 3.44 0.00 -2.67 4.77 -1.26 -3.78 117.00 117.50 1nqa n LEU 33 Ca 0.00 -4.05 -0.04 0.00 -0.03 0.00 0.00 56.01 51.89 1nqa n LEU 33 Cb 0.00 -0.32 -0.01 0.00 -2.33 0.00 0.00 43.42 40.76 1nqa n LEU 33 CO 0.00 1.61 0.03 1.07 -1.33 0.00 0.00 177.39 178.77 1nqa n THR 34 N -0.77 0.00 -2.93 -5.08 5.66 -1.26 -5.11 114.28 104.79 1nqa n THR 34 Ca 0.28 -0.53 -0.23 0.00 -3.05 0.00 0.00 64.05 60.52 1nqa n THR 34 Cb 0.86 0.31 0.01 0.00 -1.55 0.00 0.00 70.33 69.96 1nqa n THR 34 CO 0.00 0.00 0.00 1.51 -3.05 0.00 0.00 175.07 173.53 1nqa s ASP 36 N -1.61 5.76 0.28 1.09 1.47 -1.26 -4.79 116.67 117.61 1nqa s ASP 36 Ca 0.09 0.26 -0.03 0.00 1.18 0.00 0.00 52.55 54.04 1nqa s ASP 36 Cb -0.00 -1.46 0.38 0.00 -0.34 0.00 0.00 42.92 41.50 1nqa s ASP 36 CO 0.06 -0.76 1.95 0.00 0.68 0.00 0.00 175.17 177.10 1nqa h ALA 37 N 0.35 1.37 -0.46 2.11 0.00 -1.92 -2.34 119.26 118.36 1nqa h ALA 37 Ca -0.46 -0.06 0.07 0.00 0.00 0.00 0.00 54.91 54.46 1nqa h ALA 37 Cb 1.26 -0.36 -0.06 0.00 0.00 0.00 0.00 17.79 18.63 1nqa h ALA 37 CO 0.57 0.59 0.13 -0.91 0.00 0.00 0.00 179.25 179.63 1nqa h ASN 38 N 1.21 0.09 -0.26 0.00 -0.26 -1.95 0.31 115.58 114.72 1nqa h ASN 38 Ca 0.33 0.07 -0.03 0.00 -0.56 0.00 0.00 56.30 56.11 1nqa h ASN 38 Cb -0.14 0.07 -0.01 0.00 -1.06 0.00 0.00 38.32 37.19 1nqa h ASN 38 CO -0.07 0.08 0.06 0.74 -1.06 0.00 0.00 177.43 177.18 1nqa h THR 39 N 0.28 1.22 -0.59 2.81 2.02 -1.87 -1.27 112.91 115.51 1nqa h THR 39 Ca 0.22 -0.72 -0.06 0.00 0.77 0.00 0.00 66.41 66.63 1nqa h THR 39 Cb 0.26 1.19 -0.03 0.00 -1.74 0.00 0.00 68.15 67.83 1nqa h THR 39 CO -0.26 0.23 0.15 -0.07 0.37 0.00 0.00 175.52 175.94 1nqa h LEU 40 N 0.25 0.86 -0.63 2.58 3.38 -1.03 -1.29 115.31 119.44 1nqa h LEU 40 Ca 0.08 -0.16 -0.10 0.00 0.09 0.00 0.00 57.88 57.79 1nqa h LEU 40 Cb 0.29 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 40.80 1nqa h LEU 40 CO 0.00 0.83 0.01 0.00 0.09 0.00 0.00 178.44 179.37 1nqa h ALA 41 N 1.28 0.84 -0.45 1.53 0.00 -0.21 -1.25 119.26 121.00 1nqa h ALA 41 Ca 0.19 -0.31 -0.08 0.00 0.00 0.00 0.00 54.91 54.71 1nqa h ALA 41 Cb 0.31 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1nqa h ALA 41 CO -0.00 0.67 -0.02 1.25 0.00 0.00 0.00 179.25 181.16 1nqa h HIS 42 N 0.99 0.89 -0.25 0.00 -0.00 -0.87 -1.69 115.15 114.22 1nqa h HIS 42 Ca 0.18 -0.16 -0.08 0.00 -0.00 0.00 0.00 60.37 60.30 1nqa h HIS 42 Cb 0.56 -0.23 -0.01 0.00 -0.00 0.00 0.00 27.41 27.72 1nqa h HIS 42 CO 0.04 0.86 -0.20 -0.07 -0.00 0.00 0.00 177.93 178.56 1nqa h LEU 43 N 0.65 0.44 -0.59 0.26 3.38 -1.12 -2.05 115.31 116.28 1nqa h LEU 43 Ca 0.13 -0.13 -0.15 0.00 0.09 0.00 0.00 57.88 57.81 1nqa h LEU 43 Cb 0.52 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.14 1nqa h LEU 43 CO 0.03 0.66 -0.57 0.25 0.09 0.00 0.00 178.44 178.89 1nqa h LEU 44 N 0.40 0.45 0.00 1.67 5.85 -1.03 -3.31 115.31 119.34 1nqa h LEU 44 Ca 0.07 -0.25 -0.16 0.00 0.84 0.00 0.00 57.88 58.38 1nqa h LEU 44 Cb 0.59 -0.13 0.01 0.00 0.37 0.00 0.00 40.66 41.50 1nqa h LEU 44 CO 0.04 0.92 -0.63 0.50 -0.34 0.00 0.00 178.44 178.94 1nqa h LYS 45 N 0.31 0.42 -4.87 1.25 3.64 -1.05 -3.39 116.57 112.88 1nqa h LYS 45 Ca 0.00 -0.45 -0.67 0.00 -1.27 0.00 0.00 60.65 58.25 1nqa h LYS 45 Cb 1.09 0.13 -0.32 0.00 -0.41 0.00 0.00 32.23 32.72 1nqa h LYS 45 CO 0.10 1.12 -0.73 0.71 -2.27 0.00 0.00 179.45 178.37 1nqa s TYR 46 N -3.19 3.12 -0.18 1.91 2.02 -0.79 -0.96 117.35 119.27 1nqa s TYR 46 Ca -0.13 -1.61 -0.01 0.00 -0.37 0.00 0.00 57.07 54.95 1nqa s TYR 46 Cb 0.04 -2.08 -0.00 0.00 -0.40 0.00 0.00 41.96 39.52 1nqa s TYR 46 CO 0.83 -0.74 -0.12 0.34 -1.57 0.00 0.00 175.55 174.29 1nqa s ASP 47 N 1.31 3.86 0.53 2.29 -1.08 -1.13 -4.64 116.67 117.82 1nqa s ASP 47 Ca -0.01 -0.45 0.35 0.00 -0.52 0.00 0.00 52.55 51.93 1nqa s ASP 47 Cb -0.17 -1.62 1.74 0.00 -1.46 0.00 0.00 42.92 41.41 1nqa s ASP 47 CO -0.03 0.05 2.07 0.28 0.52 0.00 0.00 175.17 178.05 1nqa h SER 48 N 7.58 0.00 0.00 -0.34 0.02 -1.93 -0.86 113.55 118.03 1nqa h SER 48 Ca -0.37 0.00 -0.28 0.00 -0.84 0.00 0.00 61.79 60.30 1nqa h SER 48 Cb 1.17 0.00 -0.05 0.00 0.14 0.00 0.00 62.40 63.67 1nqa h SER 48 CO 0.59 0.00 -2.00 0.52 -1.14 0.00 0.00 176.83 174.80 1nqa n VAL 49 N -2.86 1.00 0.13 2.27 0.31 -1.26 -4.73 118.33 113.18 1nqa n VAL 49 Ca -0.01 -0.33 0.09 0.00 -0.01 0.00 0.00 64.34 64.07 1nqa n VAL 49 Cb 0.16 -1.36 0.17 0.00 -0.91 0.00 0.00 33.84 31.90 1nqa n VAL 49 CO 0.00 0.00 0.00 1.41 -1.32 0.00 0.00 176.83 176.92 1nqa n HIS 50 N -3.32 0.43 -2.36 3.52 8.25 -1.24 -5.00 115.22 115.50 1nqa n HIS 50 Ca -0.33 -0.30 0.00 0.00 -0.26 0.00 0.00 57.72 56.84 1nqa n HIS 50 Cb 0.80 -0.01 -0.00 0.00 1.12 0.00 0.00 29.99 31.90 1nqa n HIS 50 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1nqa n GLY 51 N 1.03 -2.13 3.74 -1.41 0.00 -0.33 -4.88 105.19 101.21 1nqa n GLY 51 Ca 0.15 -1.45 -0.41 0.00 0.00 0.00 0.00 46.02 44.30 1nqa n GLY 51 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1nqa s ARG 52 N -0.45 4.24 0.20 1.61 3.52 -1.26 -2.84 118.95 123.97 1nqa s ARG 52 Ca 0.00 2.34 -0.30 0.00 -0.13 0.00 0.00 55.73 57.64 1nqa s ARG 52 Cb 0.00 -3.10 -0.09 0.00 -1.56 0.00 0.00 34.95 30.19 1nqa s ARG 52 CO 0.00 -0.47 1.37 -1.17 -0.81 0.00 0.00 175.30 174.22 1nqa s LEU 53 N -0.20 4.40 -1.32 -0.88 2.96 -0.14 -4.90 118.68 118.60 1nqa s LEU 53 Ca 0.61 2.48 -0.08 0.00 -0.22 0.00 0.00 54.13 56.91 1nqa s LEU 53 Cb -0.43 -3.61 0.13 0.00 0.50 0.00 0.00 46.19 42.78 1nqa s LEU 53 CO 0.42 -0.60 2.11 -0.67 -1.32 0.00 0.00 176.35 176.29 1nqa n ASP 54 N 2.75 6.12 -3.45 3.68 2.03 -1.26 -4.85 116.55 121.57 1nqa n ASP 54 Ca 0.07 -3.08 -0.11 0.00 0.52 0.00 0.00 54.79 52.19 1nqa n ASP 54 Cb 0.42 -1.46 -0.02 0.00 -0.72 0.00 0.00 41.12 39.34 1nqa n ASP 54 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqa s ALA 55 N 0.17 -1.61 -0.07 -1.67 0.00 -1.26 -5.13 121.76 112.19 1nqa s ALA 55 Ca 0.46 0.53 -0.27 0.00 0.00 0.00 0.00 51.96 52.67 1nqa s ALA 55 Cb 0.13 0.83 -0.02 0.00 0.00 0.00 0.00 23.12 24.05 1nqa s ALA 55 CO -0.03 -0.77 0.89 -2.00 0.00 0.00 0.00 175.76 173.85 1nqa s GLU 56 N -3.67 4.45 -0.08 0.00 2.12 -1.26 -4.95 118.70 115.31 1nqa s GLU 56 Ca 0.02 1.21 0.02 0.00 0.36 0.00 0.00 54.97 56.58 1nqa s GLU 56 Cb -0.01 -3.50 0.01 0.00 0.26 0.00 0.00 34.13 30.89 1nqa s GLU 56 CO -0.12 -0.14 -0.12 0.08 -0.54 0.00 0.00 175.26 174.42 1nqa s VAL 57 N 1.43 1.15 0.35 3.70 1.01 -1.26 -1.79 120.40 125.01 1nqa s VAL 57 Ca 0.45 -0.47 -0.02 0.00 0.00 0.00 0.00 61.98 61.94 1nqa s VAL 57 Cb -0.19 -1.07 0.01 0.00 0.00 0.00 0.00 36.38 35.13 1nqa s VAL 57 CO 0.20 0.36 0.50 -1.54 0.00 0.00 0.00 175.10 174.63 1nqa n SER 58 N 4.00 -1.40 -4.20 3.32 3.41 -0.50 -4.98 113.62 113.26 1nqa n SER 58 Ca -0.21 -2.90 -0.24 0.00 -0.26 0.00 0.00 58.87 55.26 1nqa n SER 58 Cb 0.51 2.60 -0.14 0.00 -0.26 0.00 0.00 64.21 66.92 1nqa n SER 58 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 1nqa s VAL 59 N -2.80 1.47 -0.31 -3.33 1.01 -1.26 -0.47 120.40 114.72 1nqa s VAL 59 Ca 0.29 -1.00 -0.03 0.00 0.00 0.00 0.00 61.98 61.24 1nqa s VAL 59 Cb -0.01 -1.27 0.11 0.00 0.00 0.00 0.00 36.38 35.21 1nqa s VAL 59 CO 0.21 0.24 0.15 0.21 0.00 0.00 0.00 175.10 175.91 1nqa s ASN 60 N -0.89 3.45 1.73 3.32 3.04 -0.52 -4.94 114.94 120.13 1nqa s ASN 60 Ca 0.06 -1.54 0.00 0.00 0.04 0.00 0.00 52.86 51.42 1nqa s ASN 60 Cb -0.08 -0.41 0.00 0.00 -1.54 0.00 0.00 41.25 39.22 1nqa s ASN 60 CO 0.01 -0.41 0.00 0.61 -3.04 0.00 0.00 177.10 174.27 1nqa n GLY 61 N 4.92 3.51 2.02 1.21 0.00 -1.26 -1.70 105.19 113.89 1nqa n GLY 61 Ca -0.01 -0.08 -0.20 0.00 0.00 0.00 0.00 46.02 45.72 1nqa n GLY 61 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1nqa n ASN 62 N 8.05 3.49 -4.26 1.61 3.02 -1.26 -4.84 115.26 121.07 1nqa n ASN 62 Ca 0.00 -3.65 -0.23 0.00 -0.03 0.00 0.00 54.58 50.68 1nqa n ASN 62 Cb 0.00 -0.80 -0.12 0.00 -0.61 0.00 0.00 39.78 38.25 1nqa n ASN 62 CO 0.00 0.00 0.00 0.20 -2.62 0.00 0.00 177.26 174.84 1nqa s ASN 63 N -1.55 2.32 0.22 6.41 0.01 -0.69 -0.80 114.94 120.86 1nqa s ASN 63 Ca 0.55 -0.67 -0.05 0.00 -0.71 0.00 0.00 52.86 51.98 1nqa s ASN 63 Cb 0.47 -0.12 -0.05 0.00 0.41 0.00 0.00 41.25 41.95 1nqa s ASN 63 CO 0.09 0.03 0.47 -0.76 -1.51 0.00 0.00 177.10 175.41 1nqa s LEU 64 N -1.86 4.17 -0.25 0.60 1.43 0.53 -1.43 118.68 121.88 1nqa s LEU 64 Ca 0.04 0.65 0.01 0.00 -1.03 0.00 0.00 54.13 53.80 1nqa s LEU 64 Cb -0.10 -3.42 0.07 0.00 0.03 0.00 0.00 46.19 42.77 1nqa s LEU 64 CO 0.04 -0.07 -0.03 -0.69 0.23 0.00 0.00 176.35 175.82 1nqa s VAL 65 N -1.87 1.53 -0.25 -1.59 1.01 0.38 -0.80 120.40 118.81 1nqa s VAL 65 Ca 0.42 -1.33 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1nqa s VAL 65 Cb -0.11 -1.86 0.04 0.00 0.00 0.00 0.00 36.38 34.45 1nqa s VAL 65 CO 0.27 -0.19 -0.10 -0.69 0.00 0.00 0.00 175.10 174.38 1nqa s VAL 66 N 1.37 2.40 -1.36 2.92 1.01 -0.29 -1.41 120.40 125.04 1nqa s VAL 66 Ca -0.03 -1.35 -0.05 0.00 0.00 0.00 0.00 61.98 60.55 1nqa s VAL 66 Cb -0.19 -2.30 0.02 0.00 0.00 0.00 0.00 36.38 33.92 1nqa s VAL 66 CO -0.08 0.11 0.87 0.59 0.00 0.00 0.00 175.10 176.59 1nqa n ASN 67 N 4.54 -2.82 0.00 3.32 3.02 -0.74 -1.73 115.26 120.85 1nqa n ASN 67 Ca -0.16 -0.75 0.00 0.00 -0.03 0.00 0.00 54.58 53.64 1nqa n ASN 67 Cb 0.45 -4.28 0.00 0.00 -0.61 0.00 0.00 39.78 35.34 1nqa n ASN 67 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1nqa n GLY 68 N -1.59 2.70 3.80 7.41 0.00 -1.26 -4.99 105.19 111.25 1nqa n GLY 68 Ca -0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.47 1nqa n GLY 68 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqa s LYS 69 N 0.00 4.41 -0.13 1.61 -0.14 -0.71 -5.05 119.74 119.73 1nqa s LYS 69 Ca 0.00 1.03 -0.13 0.00 -1.36 0.00 0.00 55.97 55.51 1nqa s LYS 69 Cb 0.00 -3.01 -0.05 0.00 -1.68 0.00 0.00 37.83 33.10 1nqa s LYS 69 CO 0.00 0.44 0.30 -2.00 -0.76 0.00 0.00 175.35 173.33 1nqa s GLU 70 N -1.68 4.13 -0.22 1.68 2.12 -1.26 -1.14 118.70 122.33 1nqa s GLU 70 Ca 0.41 0.13 0.01 0.00 0.36 0.00 0.00 54.97 55.87 1nqa s GLU 70 Cb -0.19 -3.37 0.05 0.00 0.26 0.00 0.00 34.13 30.88 1nqa s GLU 70 CO 0.23 0.35 -0.06 0.42 -0.54 0.00 0.00 175.26 175.66 1nqa s ILE 71 N 0.11 1.50 0.27 -3.70 1.01 0.02 -4.89 121.20 115.51 1nqa s ILE 71 Ca 0.18 -1.10 -0.31 0.00 0.00 0.00 0.00 60.65 59.42 1nqa s ILE 71 Cb -0.13 -1.71 -0.12 0.00 0.01 0.00 0.00 42.46 40.51 1nqa s ILE 71 CO 0.05 -0.01 1.65 -0.63 0.00 0.00 0.00 174.94 176.00 1nqa s ILE 72 N 1.43 2.01 -0.19 2.92 1.01 -0.57 -0.35 121.20 127.46 1nqa s ILE 72 Ca -0.04 0.01 -0.02 0.00 0.00 0.00 0.00 60.65 60.59 1nqa s ILE 72 Cb -0.18 -3.01 -0.01 0.00 0.01 0.00 0.00 42.46 39.28 1nqa s ILE 72 CO -0.07 0.00 -0.08 -0.69 0.00 0.00 0.00 174.94 174.10 1nqa s VAL 73 N 0.40 3.17 0.33 2.92 1.01 0.02 -0.50 120.40 127.76 1nqa s VAL 73 Ca 0.67 -0.57 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1nqa s VAL 73 Cb -0.49 -2.41 -0.04 0.00 0.00 0.00 0.00 36.38 33.44 1nqa s VAL 73 CO 0.43 0.46 0.14 -0.54 0.00 0.00 0.00 175.10 175.59 1nqa s LYS 74 N 1.17 2.40 -0.36 2.72 1.02 0.16 -4.84 119.74 122.02 1nqa s LYS 74 Ca 0.02 -1.51 0.14 0.00 0.02 0.00 0.00 55.97 54.64 1nqa s LYS 74 Cb -0.14 -2.20 0.40 0.00 -0.52 0.00 0.00 37.83 35.36 1nqa s LYS 74 CO -0.02 0.14 0.92 0.00 -0.92 0.00 0.00 175.35 175.47 1nqa n ALA 75 N -1.14 2.32 -2.69 5.17 0.00 -1.26 -2.39 120.51 120.52 1nqa n ALA 75 Ca -0.03 -2.91 -0.40 0.00 0.00 0.00 0.00 53.44 50.10 1nqa n ALA 75 Cb 0.61 -0.96 -0.11 0.00 0.00 0.00 0.00 19.45 18.99 1nqa n ALA 75 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1nqa s GLU 76 N -2.25 3.21 0.41 0.00 0.41 -1.25 -4.89 118.70 114.35 1nqa s GLU 76 Ca 0.31 -0.82 0.13 0.00 -0.41 0.00 0.00 54.97 54.17 1nqa s GLU 76 Cb 0.40 -3.74 0.86 0.00 -1.78 0.00 0.00 34.13 29.87 1nqa s GLU 76 CO -0.03 -0.54 1.92 -0.09 -0.49 0.00 0.00 175.26 176.04 1nqa h ARG 77 N 8.46 0.05 -4.89 1.61 2.43 -1.99 -3.40 114.38 116.65 1nqa h ARG 77 Ca -0.30 -0.01 -0.67 0.00 -0.81 0.00 0.00 59.98 58.19 1nqa h ARG 77 Cb 1.14 -0.01 -0.18 0.00 -0.42 0.00 0.00 29.97 30.50 1nqa h ARG 77 CO 0.65 0.29 -0.33 0.34 -1.51 0.00 0.00 179.97 179.41 1nqa s ASP 78 N -6.96 6.15 0.52 -3.80 -1.08 -1.26 -4.97 116.67 105.28 1nqa s ASP 78 Ca -0.04 -0.30 0.29 0.00 -0.52 0.00 0.00 52.55 51.99 1nqa s ASP 78 Cb 0.15 -2.19 1.43 0.00 -1.46 0.00 0.00 42.92 40.85 1nqa s ASP 78 CO 0.71 -0.33 1.89 -0.65 0.52 0.00 0.00 175.17 177.32 1nqa h PRO 79 N 8.48 0.05 0.00 4.34 0.11 -1.93 -1.23 132.00 141.82 1nqa h PRO 79 Ca -0.30 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.81 1nqa h PRO 79 Cb 1.14 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.24 1nqa h PRO 79 CO 0.69 0.03 0.00 0.93 -0.21 0.00 0.00 178.00 179.44 1nqa h GLU 80 N 0.05 0.00 -0.55 1.05 5.08 -1.94 -2.71 114.58 115.56 1nqa h GLU 80 Ca 0.43 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.79 1nqa h GLU 80 Cb 1.61 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.86 1nqa h GLU 80 CO -0.03 0.00 0.00 0.09 -1.00 0.00 0.00 179.01 178.07 1nqa n ASN 81 N -2.64 3.00 0.22 1.42 5.03 -0.46 -4.42 115.26 117.40 1nqa n ASN 81 Ca 0.01 -1.99 0.11 0.00 0.87 0.00 0.00 54.58 53.57 1nqa n ASN 81 Cb 0.22 -0.37 0.31 0.00 -1.02 0.00 0.00 39.78 38.93 1nqa n ASN 81 CO 0.00 0.00 0.00 -0.07 -1.83 0.00 0.00 177.26 175.36 1nqa h LEU 82 N 3.32 0.00 -2.03 3.41 3.38 -1.63 -3.48 115.31 118.27 1nqa h LEU 82 Ca 0.00 0.00 -0.49 0.00 0.09 0.00 0.00 57.88 57.48 1nqa h LEU 82 Cb 0.76 0.00 -0.03 0.00 0.09 0.00 0.00 40.66 41.48 1nqa h LEU 82 CO 0.00 0.14 -0.89 0.00 0.09 0.00 0.00 178.44 177.78 1nqa n ALA 83 N -2.15 -2.07 -0.37 1.53 0.00 -1.26 -4.87 120.51 111.33 1nqa n ALA 83 Ca 0.02 -0.26 -0.02 0.00 0.00 0.00 0.00 53.44 53.18 1nqa n ALA 83 Cb 0.50 -1.75 0.12 0.00 0.00 0.00 0.00 19.45 18.31 1nqa n ALA 83 CO 0.00 0.00 0.00 -1.49 0.00 0.00 0.00 177.50 176.01 1nqa h TRP 84 N -1.85 1.25 -0.56 0.00 -0.00 -1.40 -2.86 115.95 110.53 1nqa h TRP 84 Ca -0.63 0.03 0.05 0.00 -0.00 0.00 0.00 58.89 58.34 1nqa h TRP 84 Cb 1.37 -0.42 -0.05 0.00 -0.00 0.00 0.00 29.16 30.06 1nqa h TRP 84 CO 0.47 0.79 0.29 0.78 -0.00 0.00 0.00 178.44 180.76 1nqa h GLY 85 N 1.35 0.79 0.53 1.49 0.00 -1.48 -1.96 103.07 103.80 1nqa h GLY 85 Ca 0.37 -0.20 0.21 0.00 0.00 0.00 0.00 47.33 47.71 1nqa h GLY 85 CO -0.08 0.12 0.53 -2.09 0.00 0.00 0.00 176.54 175.02 1nqa h GLU 86 N 0.55 0.03 -0.35 4.80 4.57 -1.77 -0.47 114.58 121.94 1nqa h GLU 86 Ca 0.25 -0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.43 1nqa h GLU 86 Cb 0.16 -0.01 0.00 0.00 -0.16 0.00 0.00 28.75 28.74 1nqa h GLU 86 CO -0.17 0.02 0.00 0.44 -1.18 0.00 0.00 179.01 178.12 1nqa n ILE 87 N -4.33 2.08 -1.69 2.32 -5.35 -0.87 -4.98 119.36 106.54 1nqa n ILE 87 Ca 0.15 -1.61 -0.14 0.00 -0.27 0.00 0.00 62.75 60.88 1nqa n ILE 87 Cb 0.79 -0.09 -0.04 0.00 -1.74 0.00 0.00 39.64 38.56 1nqa n ILE 87 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1nqa n GLY 88 N -0.04 0.93 3.66 3.28 0.00 -0.19 -4.98 105.19 107.84 1nqa n GLY 88 Ca 0.21 -0.34 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1nqa n GLY 88 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1nqa s VAL 89 N -2.59 4.59 -0.15 1.61 1.01 -0.79 -4.63 120.40 119.45 1nqa s VAL 89 Ca 0.00 1.90 0.01 0.00 0.00 0.00 0.00 61.98 63.89 1nqa s VAL 89 Cb 0.00 -4.29 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1nqa s VAL 89 CO 0.00 -0.24 0.22 0.47 0.00 0.00 0.00 175.10 175.55 1nqa n ASP 90 N 6.49 1.71 -4.26 3.32 8.00 -0.86 -4.22 116.55 126.73 1nqa n ASP 90 Ca 0.12 0.13 -0.32 0.00 0.71 0.00 0.00 54.79 55.43 1nqa n ASP 90 Cb 0.46 -0.45 -0.16 0.00 -0.02 0.00 0.00 41.12 40.95 1nqa n ASP 90 CO 0.00 0.00 0.00 -0.63 -0.39 0.00 0.00 177.20 176.18 1nqa s ILE 91 N -2.55 2.28 -0.12 0.53 1.01 -1.11 -0.61 121.20 120.63 1nqa s ILE 91 Ca -0.22 -0.95 0.01 0.00 0.00 0.00 0.00 60.65 59.49 1nqa s ILE 91 Cb 0.07 -1.89 -0.01 0.00 0.01 0.00 0.00 42.46 40.65 1nqa s ILE 91 CO 0.74 0.55 -0.16 -0.69 0.00 0.00 0.00 174.94 175.38 1nqa s VAL 92 N 0.27 2.82 -0.40 2.92 1.01 -0.17 -1.09 120.40 125.75 1nqa s VAL 92 Ca -0.15 -0.75 -0.18 0.00 0.00 0.00 0.00 61.98 60.91 1nqa s VAL 92 Cb -0.17 -2.16 0.01 0.00 0.00 0.00 0.00 36.38 34.06 1nqa s VAL 92 CO 0.08 0.53 0.46 -0.69 0.00 0.00 0.00 175.10 175.48 1nqa s VAL 93 N 0.35 5.06 -0.73 2.92 1.01 0.22 -0.21 120.40 129.02 1nqa s VAL 93 Ca -0.13 -0.16 -0.20 0.00 0.00 0.00 0.00 61.98 61.49 1nqa s VAL 93 Cb -0.16 -4.02 0.10 0.00 0.00 0.00 0.00 36.38 32.29 1nqa s VAL 93 CO 0.06 -0.38 0.94 -0.70 0.00 0.00 0.00 175.10 175.03 1nqa s GLU 94 N 2.24 3.25 -0.29 2.72 2.56 0.23 -0.65 118.70 128.77 1nqa s GLU 94 Ca 0.14 -1.28 0.11 0.00 0.00 0.00 0.00 54.97 53.95 1nqa s GLU 94 Cb -0.16 -4.45 0.47 0.00 2.00 0.00 0.00 34.13 31.99 1nqa s GLU 94 CO 0.14 -1.72 1.16 -1.13 -0.56 0.00 0.00 175.26 173.15 1nqa n SER 95 N 6.92 3.99 0.00 -1.70 3.41 0.39 -2.21 113.62 124.42 1nqa n SER 95 Ca 0.04 -3.29 -0.02 0.00 -0.26 0.00 0.00 58.87 55.34 1nqa n SER 95 Cb 0.46 -0.39 -0.11 0.00 -0.26 0.00 0.00 64.21 63.91 1nqa n SER 95 CO 0.00 0.00 0.00 0.35 -0.16 0.00 0.00 175.04 175.23 1nqa n THR 96 N -0.65 1.15 -0.28 6.66 -2.24 -1.07 -4.56 114.28 113.29 1nqa n THR 96 Ca 0.34 -0.71 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1nqa n THR 96 Cb 0.90 -0.65 0.00 0.00 -2.10 0.00 0.00 70.33 68.48 1nqa n THR 96 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1nqa n GLY 97 N 1.46 1.42 0.02 3.38 0.00 -1.26 -4.88 105.19 105.33 1nqa n GLY 97 Ca -0.14 0.00 0.11 0.00 0.00 0.00 0.00 46.02 45.99 1nqa n GLY 97 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1nqa n ARG 98 N -2.00 0.32 -2.76 1.61 5.12 -1.26 -4.61 116.66 113.08 1nqa n ARG 98 Ca 0.00 -0.04 -0.24 0.00 -1.93 0.00 0.00 57.85 55.63 1nqa n ARG 98 Cb 0.00 -1.56 -0.02 0.00 -1.16 0.00 0.00 32.46 29.72 1nqa n ARG 98 CO 0.00 0.00 0.00 1.19 -1.93 0.00 0.00 177.63 176.89 1nqa n PHE 99 N -1.95 3.10 0.79 -1.55 3.72 -1.26 -4.82 117.46 115.49 1nqa n PHE 99 Ca 0.01 -3.52 0.13 0.00 -0.05 0.00 0.00 57.45 54.01 1nqa n PHE 99 Cb 0.45 -0.32 0.34 0.00 -0.94 0.00 0.00 39.48 39.01 1nqa n PHE 99 CO 0.00 0.00 0.00 0.25 -0.05 0.00 0.00 176.76 176.96 1nqa n THR 100 N -0.26 0.24 -2.75 4.37 -2.24 -1.26 -3.61 114.28 108.76 1nqa n THR 100 Ca 0.31 -0.15 -0.41 0.00 -2.27 0.00 0.00 64.05 61.54 1nqa n THR 100 Cb 0.57 -0.22 -0.05 0.00 -2.10 0.00 0.00 70.33 68.53 1nqa n THR 100 CO 0.00 0.00 0.00 -0.54 -0.57 0.00 0.00 175.07 173.96 1nqa s LYS 101 N -3.07 4.75 0.28 -0.78 1.02 -1.26 -2.13 119.74 118.54 1nqa s LYS 101 Ca 0.10 1.45 0.02 0.00 0.02 0.00 0.00 55.97 57.56 1nqa s LYS 101 Cb 0.15 -3.34 0.60 0.00 -0.52 0.00 0.00 37.83 34.72 1nqa s LYS 101 CO 0.65 0.35 1.80 -0.09 -0.92 0.00 0.00 175.35 177.13 1nqa h ARG 102 N 4.99 0.81 -0.60 1.68 2.43 -1.46 -0.35 114.38 121.87 1nqa h ARG 102 Ca -0.44 -0.05 0.08 0.00 -0.81 0.00 0.00 59.98 58.76 1nqa h ARG 102 Cb 1.21 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 30.54 1nqa h ARG 102 CO 0.70 0.53 0.40 1.05 -1.51 0.00 0.00 179.97 181.14 1nqa h GLU 103 N 0.83 0.48 0.05 0.20 4.11 -1.93 0.25 114.58 118.58 1nqa h GLU 103 Ca 0.51 -0.03 -0.12 0.00 0.07 0.00 0.00 59.36 59.79 1nqa h GLU 103 Cb 0.64 -0.11 -0.00 0.00 0.50 0.00 0.00 28.75 29.78 1nqa h GLU 103 CO -0.32 0.32 -0.59 -0.44 0.07 0.00 0.00 179.01 178.05 1nqa h ASP 104 N 0.50 0.16 -0.24 3.06 3.32 -1.45 -3.33 116.42 118.44 1nqa h ASP 104 Ca 0.27 -0.89 0.02 0.00 0.02 0.00 0.00 57.03 56.44 1nqa h ASP 104 Cb 0.41 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 39.89 1nqa h ASP 104 CO -0.08 1.26 0.16 0.00 -1.72 0.00 0.00 179.24 178.86 1nqa h ALA 105 N -0.07 1.91 0.00 3.45 0.00 -0.83 -0.80 119.26 122.92 1nqa h ALA 105 Ca -0.13 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nqa h ALA 105 Cb 1.31 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nqa h ALA 105 CO 0.01 0.07 0.00 0.00 0.00 0.00 0.00 179.25 179.33 1nqa n ALA 106 N -2.52 1.37 0.28 0.00 0.00 0.85 -2.22 120.51 118.27 1nqa n ALA 106 Ca 0.01 0.11 0.14 0.00 0.00 0.00 0.00 53.44 53.70 1nqa n ALA 106 Cb 0.13 -1.31 0.83 0.00 0.00 0.00 0.00 19.45 19.10 1nqa n ALA 106 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1nqa h LYS 107 N 0.00 0.00 -0.11 0.00 1.57 -1.27 -0.25 116.57 116.51 1nqa h LYS 107 Ca 0.00 0.00 -0.14 0.00 -1.87 0.00 0.00 60.65 58.64 1nqa h LYS 107 Cb 0.18 0.00 -0.01 0.00 0.08 0.00 0.00 32.23 32.48 1nqa h LYS 107 CO 0.00 0.06 -0.52 0.45 -0.57 0.00 0.00 179.45 178.87 1nqa h HIS 108 N 0.00 0.38 -0.27 -1.35 3.86 -1.65 -1.94 115.15 114.18 1nqa h HIS 108 Ca -0.00 -0.13 -0.14 0.00 -1.16 0.00 0.00 60.37 58.94 1nqa h HIS 108 Cb 0.18 -0.07 -0.00 0.00 1.06 0.00 0.00 27.41 28.57 1nqa h HIS 108 CO 0.00 0.77 -0.37 -0.07 0.86 0.00 0.00 177.93 179.12 1nqa h LEU 109 N 0.24 0.80 -1.87 2.43 3.38 -1.26 -1.37 115.31 117.66 1nqa h LEU 109 Ca 0.01 -0.50 0.00 0.00 0.09 0.00 0.00 57.88 57.48 1nqa h LEU 109 Cb 1.01 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.52 1nqa h LEU 109 CO 0.09 1.15 0.09 -0.33 0.09 0.00 0.00 178.44 179.52 1nqa h GLU 110 N 0.48 0.17 -0.21 1.13 5.08 -1.14 -1.05 114.58 119.03 1nqa h GLU 110 Ca 0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.38 1nqa h GLU 110 Cb 0.96 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1nqa h GLU 110 CO 0.09 0.11 0.00 0.00 -1.00 0.00 0.00 179.01 178.21 1nqa n ALA 111 N -2.52 2.47 0.00 3.43 0.00 -0.75 -4.90 120.51 118.24 1nqa n ALA 111 Ca -0.01 -0.38 0.00 0.00 0.00 0.00 0.00 53.44 53.05 1nqa n ALA 111 Cb 0.08 -0.99 0.00 0.00 0.00 0.00 0.00 19.45 18.54 1nqa n ALA 111 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1nqa n GLY 112 N 0.86 1.85 3.77 0.00 0.00 -0.40 -1.02 105.19 110.24 1nqa n GLY 112 Ca 0.08 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1nqa n GLY 112 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqa s ALA 113 N -2.30 2.29 -0.19 4.61 0.00 -0.55 -3.92 121.76 121.70 1nqa s ALA 113 Ca 0.00 0.33 0.11 0.00 0.00 0.00 0.00 51.96 52.40 1nqa s ALA 113 Cb 0.00 -3.29 -0.19 0.00 0.00 0.00 0.00 23.12 19.64 1nqa s ALA 113 CO 0.00 -1.68 -0.02 1.63 0.00 0.00 0.00 175.76 175.68 1nqa n LYS 114 N -3.31 0.94 -4.09 0.00 5.02 0.18 -4.37 118.16 112.52 1nqa n LYS 114 Ca 0.09 0.04 -0.14 0.00 -2.02 0.00 0.00 58.31 56.28 1nqa n LYS 114 Cb 0.53 -1.45 -0.12 0.00 -0.02 0.00 0.00 35.03 33.96 1nqa n LYS 114 CO 0.00 0.00 0.00 0.15 -0.52 0.00 0.00 177.40 177.03 1nqa s LYS 115 N -2.43 0.50 -0.10 1.97 -0.14 0.22 -4.87 119.74 114.89 1nqa s LYS 115 Ca -0.16 -0.59 0.01 0.00 -1.36 0.00 0.00 55.97 53.87 1nqa s LYS 115 Cb 0.06 -0.33 0.02 0.00 -1.68 0.00 0.00 37.83 35.90 1nqa s LYS 115 CO 0.66 0.07 -0.11 0.08 -0.76 0.00 0.00 175.35 175.28 1nqa s VAL 116 N -1.01 1.23 -0.36 3.17 1.01 -0.27 -1.00 120.40 123.18 1nqa s VAL 116 Ca -0.06 -0.46 -0.09 0.00 0.00 0.00 0.00 61.98 61.36 1nqa s VAL 116 Cb -0.08 -1.17 0.03 0.00 0.00 0.00 0.00 36.38 35.17 1nqa s VAL 116 CO 0.00 0.39 0.17 -0.63 0.00 0.00 0.00 175.10 175.03 1nqa s ILE 117 N 1.22 4.33 -0.22 2.22 1.01 0.71 -0.65 121.20 129.82 1nqa s ILE 117 Ca -0.03 -0.91 -0.27 0.00 0.00 0.00 0.00 60.65 59.44 1nqa s ILE 117 Cb -0.14 -3.41 -0.00 0.00 0.01 0.00 0.00 42.46 38.92 1nqa s ILE 117 CO -0.04 -0.19 0.92 -0.63 0.00 0.00 0.00 174.94 175.00 1nqa s ILE 118 N 1.51 4.78 -0.04 2.92 1.01 0.91 -0.60 121.20 131.70 1nqa s ILE 118 Ca 0.01 1.78 -0.05 0.00 0.00 0.00 0.00 60.65 62.39 1nqa s ILE 118 Cb -0.19 -4.20 -0.21 0.00 0.01 0.00 0.00 42.46 37.87 1nqa s ILE 118 CO 0.05 -0.09 3.35 -1.54 0.00 0.00 0.00 174.94 176.71 1nqa n SER 119 N 5.94 5.37 0.00 3.58 3.41 -0.94 -1.38 113.62 129.60 1nqa n SER 119 Ca 0.08 -2.54 0.00 0.00 -0.26 0.00 0.00 58.87 56.15 1nqa n SER 119 Cb 0.47 -1.37 0.00 0.00 -0.26 0.00 0.00 64.21 63.06 1nqa n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqa n ALA 120 N 2.23 0.00 -1.74 7.33 0.00 -1.20 -4.89 120.51 122.23 1nqa n ALA 120 Ca 0.38 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.43 1nqa n ALA 120 Cb 0.84 0.00 0.04 0.00 0.00 0.00 0.00 19.45 20.32 1nqa n ALA 120 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1nqa n PRO 121 N -0.03 1.80 -4.16 0.00 -0.02 -1.26 -4.02 135.00 127.32 1nqa n PRO 121 Ca 0.00 0.65 -0.24 0.00 -2.02 0.00 0.00 63.50 61.89 1nqa n PRO 121 Cb 0.00 -2.56 -0.06 0.00 -0.02 0.00 0.00 33.50 30.86 1nqa n PRO 121 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1nqa n ALA 122 N -0.84 0.46 -3.91 3.55 0.00 -1.26 -4.91 120.51 113.60 1nqa n ALA 122 Ca 0.09 -1.85 -0.30 0.00 0.00 0.00 0.00 53.44 51.38 1nqa n ALA 122 Cb 0.44 1.17 -0.16 0.00 0.00 0.00 0.00 19.45 20.89 1nqa n ALA 122 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 1nqa s LYS 122 N -3.42 2.35 -1.42 0.00 3.01 -0.91 -4.74 119.74 114.61 1nqa s LYS 122 Ca 0.12 -0.59 0.00 0.00 -1.01 0.00 0.00 55.97 54.49 1nqa s LYS 122 Cb 0.01 -2.09 0.00 0.00 -1.01 0.00 0.00 37.83 34.74 1nqa s LYS 122 CO 0.08 -0.18 0.00 0.09 0.51 0.00 0.00 175.35 175.86 1nqa n ASN 123 N 4.58 -4.65 -4.71 2.83 3.02 -1.26 -1.27 115.26 113.80 1nqa n ASN 123 Ca -0.18 0.17 -0.31 0.00 -0.03 0.00 0.00 54.58 54.23 1nqa n ASN 123 Cb 0.50 -3.64 0.14 0.00 -0.61 0.00 0.00 39.78 36.17 1nqa n ASN 123 CO 0.00 0.00 0.00 -1.83 -2.62 0.00 0.00 177.26 172.81 1nqa s GLU 124 N -4.05 1.42 0.42 3.52 1.03 -1.26 -4.70 118.70 115.08 1nqa s GLU 124 Ca 0.00 1.25 0.22 0.00 0.03 0.00 0.00 54.97 56.47 1nqa s GLU 124 Cb 0.00 -1.80 0.81 0.00 -0.80 0.00 0.00 34.13 32.35 1nqa s GLU 124 CO 0.00 -2.25 1.78 -0.44 -1.33 0.00 0.00 175.26 173.02 1nqa h ASP 125 N -1.58 0.00 -2.87 0.83 3.32 -1.37 -3.46 116.42 111.28 1nqa h ASP 125 Ca -0.45 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.83 1nqa h ASP 125 Cb 1.26 0.00 -0.29 0.00 0.22 0.00 0.00 39.33 40.52 1nqa h ASP 125 CO 0.48 0.27 0.94 -0.51 -1.72 0.00 0.00 179.24 178.69 1nqa s ILE 126 N -3.61 0.00 -0.15 0.35 2.07 -1.25 -4.93 121.20 113.68 1nqa s ILE 126 Ca 0.01 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 1nqa s ILE 126 Cb 0.10 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.66 1nqa s ILE 126 CO 0.65 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.76 1nqa s THR 127 N -0.76 3.90 0.01 4.00 2.01 -1.26 -1.64 115.64 121.91 1nqa s THR 127 Ca 0.08 -0.36 0.07 0.00 0.31 0.00 0.00 61.69 61.80 1nqa s THR 127 Cb -0.02 -2.70 -0.02 0.00 0.01 0.00 0.00 72.50 69.77 1nqa s THR 127 CO -0.10 0.50 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.50 1nqa s ILE 128 N 0.26 1.67 -0.25 1.82 -1.09 0.34 -4.68 121.20 119.27 1nqa s ILE 128 Ca -0.03 -1.04 0.00 0.00 -2.23 0.00 0.00 60.65 57.36 1nqa s ILE 128 Cb -0.14 -1.41 0.07 0.00 -1.58 0.00 0.00 42.46 39.40 1nqa s ILE 128 CO 0.03 0.35 -0.00 -0.69 -1.23 0.00 0.00 174.94 173.39 1nqa s VAL 129 N -0.63 1.30 0.17 2.92 1.01 -1.26 -4.10 120.40 119.81 1nqa s VAL 129 Ca 0.08 -1.23 -0.33 0.00 0.00 0.00 0.00 61.98 60.50 1nqa s VAL 129 Cb -0.08 -1.71 -0.15 0.00 0.00 0.00 0.00 36.38 34.43 1nqa s VAL 129 CO 0.00 -0.26 1.38 0.23 0.00 0.00 0.00 175.10 176.45 1nqa n MET 130 N 4.73 1.66 0.00 2.72 2.81 -1.26 -0.91 117.12 126.87 1nqa n MET 130 Ca -0.08 0.59 0.00 0.00 -1.81 0.00 0.00 57.70 56.40 1nqa n MET 130 Cb 0.44 -2.24 0.00 0.00 -0.71 0.00 0.00 33.22 30.71 1nqa n MET 130 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1nqa n GLY 131 N 2.52 2.00 0.35 3.03 0.00 -1.26 -4.86 105.19 106.97 1nqa n GLY 131 Ca 0.15 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1nqa n GLY 131 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1nqa n VAL 132 N -2.00 0.25 -2.23 1.61 0.31 -0.09 -4.97 118.33 111.22 1nqa n VAL 132 Ca 0.00 -0.08 -0.01 0.00 -0.01 0.00 0.00 64.34 64.23 1nqa n VAL 132 Cb 0.00 -1.02 -0.02 0.00 -0.91 0.00 0.00 33.84 31.89 1nqa n VAL 132 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1nqa n ASN 133 N -2.86 -0.00 0.28 4.52 6.94 -1.09 -4.89 115.26 118.15 1nqa n ASN 133 Ca -0.08 -1.95 0.18 0.00 -0.02 0.00 0.00 54.58 52.70 1nqa n ASN 133 Cb 0.58 -0.01 0.86 0.00 -2.36 0.00 0.00 39.78 38.85 1nqa n ASN 133 CO 0.00 0.00 0.00 0.06 -1.03 0.00 0.00 177.26 176.29 1nqa h GLN 134 N 0.45 0.00 0.00 -3.83 -0.00 -1.94 -1.21 115.11 108.58 1nqa h GLN 134 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.29 1nqa h GLN 134 Cb 1.61 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 29.09 1nqa h GLN 134 CO -0.09 0.00 0.00 -0.40 -0.00 0.00 0.00 178.83 178.34 1nqa n ASP 135 N -2.92 0.40 -0.06 0.06 5.75 -1.26 -1.91 116.55 116.60 1nqa n ASP 135 Ca -0.01 0.62 0.13 0.00 -0.01 0.00 0.00 54.79 55.52 1nqa n ASP 135 Cb 0.19 -0.70 0.38 0.00 -1.03 0.00 0.00 41.12 39.96 1nqa n ASP 135 CO 0.00 0.00 0.00 0.29 -0.11 0.00 0.00 177.20 177.38 1nqa n LYS 136 N -1.96 0.25 -1.92 0.11 4.76 -0.46 -4.88 118.16 114.06 1nqa n LYS 136 Ca 0.02 -0.12 -0.42 0.00 -2.87 0.00 0.00 58.31 54.92 1nqa n LYS 136 Cb 0.16 -1.50 -0.03 0.00 -1.84 0.00 0.00 35.03 31.83 1nqa n LYS 136 CO 0.00 0.00 0.00 -0.47 -1.37 0.00 0.00 177.40 175.56 1nqa s TYR 137 N -2.83 3.02 -0.30 2.13 5.04 -0.80 -4.99 117.35 118.60 1nqa s TYR 137 Ca 0.16 0.71 0.03 0.00 -2.44 0.00 0.00 57.07 55.53 1nqa s TYR 137 Cb 0.18 -3.93 0.08 0.00 0.35 0.00 0.00 41.96 38.64 1nqa s TYR 137 CO 0.61 -3.33 -0.02 0.34 -1.34 0.00 0.00 175.55 171.81 1nqa s ASP 138 N 0.92 4.65 0.55 4.32 -1.08 -1.26 -5.00 116.67 119.76 1nqa s ASP 138 Ca 0.67 -1.77 0.30 0.00 -0.52 0.00 0.00 52.55 51.23 1nqa s ASP 138 Cb -0.44 -1.61 1.46 0.00 -1.46 0.00 0.00 42.92 40.88 1nqa s ASP 138 CO 0.35 -0.29 1.91 1.55 0.52 0.00 0.00 175.17 179.21 1nqa h PRO 138 N 7.72 0.00 0.00 4.34 0.13 -1.89 0.11 132.00 142.40 1nqa h PRO 138 Ca -0.12 0.00 -0.15 0.00 -0.87 0.00 0.00 66.00 64.86 1nqa h PRO 138 Cb 1.03 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.14 1nqa h PRO 138 CO 0.50 0.00 -0.91 0.87 -0.23 0.00 0.00 178.00 178.23 1nqa h LYS 139 N 0.00 0.00 0.00 0.86 6.56 -1.94 -3.39 116.57 118.66 1nqa h LYS 139 Ca 0.34 0.00 0.00 0.00 -1.06 0.00 0.00 60.65 59.93 1nqa h LYS 139 Cb 1.45 0.00 0.00 0.00 -0.57 0.00 0.00 32.23 33.11 1nqa h LYS 139 CO -0.00 0.51 -0.84 0.00 -2.06 0.00 0.00 179.45 177.06 1nqa n ALA 140 N -2.31 2.64 -3.03 3.86 0.00 -0.73 -4.95 120.51 115.99 1nqa n ALA 140 Ca -0.03 -0.20 -0.39 0.00 0.00 0.00 0.00 53.44 52.83 1nqa n ALA 140 Cb 0.81 -0.27 -0.12 0.00 0.00 0.00 0.00 19.45 19.88 1nqa n ALA 140 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1nqa s HIS 141 N -2.11 3.22 -0.02 0.00 3.76 0.30 -4.90 115.29 115.55 1nqa s HIS 141 Ca 0.00 -1.07 0.02 0.00 -0.15 0.00 0.00 55.06 53.85 1nqa s HIS 141 Cb 0.05 -2.34 -0.02 0.00 1.11 0.00 0.00 32.58 31.38 1nqa s HIS 141 CO 0.31 -0.64 0.01 0.72 -0.85 0.00 0.00 174.74 174.29 1nqa n HIS 142 N 4.91 0.00 -3.92 1.40 -0.00 -1.26 -4.75 115.22 111.60 1nqa n HIS 142 Ca -0.13 0.00 -0.33 0.00 -0.00 0.00 0.00 57.72 57.26 1nqa n HIS 142 Cb 0.46 -0.08 -0.14 0.00 -0.00 0.00 0.00 29.99 30.23 1nqa n HIS 142 CO 0.00 0.00 0.00 0.08 -0.00 0.00 0.00 176.34 176.42 1nqa s VAL 143 N -2.04 2.72 -0.08 1.59 1.01 -1.26 -1.11 120.40 121.22 1nqa s VAL 143 Ca -0.01 -2.07 0.01 0.00 0.00 0.00 0.00 61.98 59.91 1nqa s VAL 143 Cb 0.01 -2.86 -0.03 0.00 0.00 0.00 0.00 36.38 33.50 1nqa s VAL 143 CO 0.07 -0.53 -0.09 -0.63 0.00 0.00 0.00 175.10 173.92 1nqa s ILE 144 N 1.05 3.45 -0.15 2.22 1.09 0.18 -0.86 121.20 128.17 1nqa s ILE 144 Ca 0.06 -0.56 -0.09 0.00 -1.10 0.00 0.00 60.65 58.97 1nqa s ILE 144 Cb -0.21 -2.42 -0.04 0.00 -1.06 0.00 0.00 42.46 38.73 1nqa s ILE 144 CO -0.06 0.57 0.15 -0.55 -0.10 0.00 0.00 174.94 174.95 1nqa s SER 145 N -0.47 6.33 -0.13 3.58 0.15 -0.65 -0.06 113.70 122.45 1nqa s SER 145 Ca 0.06 0.38 0.14 0.00 0.70 0.00 0.00 55.95 57.24 1nqa s SER 145 Cb -0.12 -2.09 0.63 0.00 -1.71 0.00 0.00 66.02 62.73 1nqa s SER 145 CO 0.02 0.30 1.50 -3.20 1.20 0.00 0.00 173.24 173.07 1nqa n ASN 146 N 2.66 4.34 -1.00 5.45 4.05 -0.48 -0.50 115.26 129.77 1nqa n ASN 146 Ca -0.18 -2.49 0.03 0.00 0.45 0.00 0.00 54.58 52.39 1nqa n ASN 146 Cb 0.54 -0.57 -0.01 0.00 1.23 0.00 0.00 39.78 40.97 1nqa n ASN 146 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1nqa n ALA 147 N 0.80 -0.62 -2.03 5.20 0.00 -1.26 -4.80 120.51 117.80 1nqa n ALA 147 Ca 0.22 0.07 -0.22 0.00 0.00 0.00 0.00 53.44 53.52 1nqa n ALA 147 Cb 0.85 -0.21 0.04 0.00 0.00 0.00 0.00 19.45 20.12 1nqa n ALA 147 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1nqa s SER 148 N -4.50 5.33 0.21 0.00 1.04 -1.26 -3.24 113.70 111.28 1nqa s SER 148 Ca 0.00 0.10 -0.05 0.00 0.48 0.00 0.00 55.95 56.49 1nqa s SER 148 Cb 0.00 -1.03 0.18 0.00 0.10 0.00 0.00 66.02 65.28 1nqa s SER 148 CO 0.00 -1.11 1.64 0.00 0.98 0.00 0.00 173.24 174.75 1nqa h ALA 149 N 0.05 0.89 -0.70 5.32 0.00 -1.89 -2.07 119.26 120.86 1nqa h ALA 149 Ca -0.43 -0.35 0.01 0.00 0.00 0.00 0.00 54.91 54.14 1nqa h ALA 149 Cb 1.29 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.88 1nqa h ALA 149 CO 0.54 0.63 0.46 1.15 0.00 0.00 0.00 179.25 182.03 1nqa h THR 150 N 0.72 1.16 -0.21 0.00 2.02 -1.96 -1.42 112.91 113.22 1nqa h THR 150 Ca 0.11 -0.32 -0.13 0.00 0.77 0.00 0.00 66.41 66.84 1nqa h THR 150 Cb 0.69 0.15 -0.01 0.00 -1.74 0.00 0.00 68.15 67.23 1nqa h THR 150 CO 0.05 0.17 -0.42 0.74 0.37 0.00 0.00 175.52 176.43 1nqa h THR 151 N 0.93 1.31 0.00 3.16 2.02 -1.77 -1.39 112.91 117.17 1nqa h THR 151 Ca 0.26 -1.60 -0.02 0.00 0.77 0.00 0.00 66.41 65.82 1nqa h THR 151 Cb -0.08 1.61 -0.00 0.00 -1.74 0.00 0.00 68.15 67.93 1nqa h THR 151 CO -0.07 0.50 -0.10 0.78 0.37 0.00 0.00 175.52 177.00 1nqa h ASN 152 N 0.41 0.00 0.04 4.18 4.21 -0.86 -0.35 115.58 123.22 1nqa h ASN 152 Ca 0.03 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.43 1nqa h ASN 152 Cb 0.91 0.00 -0.00 0.00 -1.12 0.00 0.00 38.32 38.11 1nqa h ASN 152 CO 0.08 0.10 -0.55 0.00 -1.29 0.00 0.00 177.43 175.77 1nqa h LEU 154 N -0.79 -0.10 -0.66 0.00 5.85 -1.12 -3.37 115.31 115.13 1nqa h LEU 154 Ca -0.12 -0.43 0.14 0.00 0.84 0.00 0.00 57.88 58.30 1nqa h LEU 154 Cb 1.27 0.02 -0.12 0.00 0.37 0.00 0.00 40.66 42.21 1nqa h LEU 154 CO 0.00 0.41 -0.09 0.00 -0.34 0.00 0.00 178.44 178.42 1nqa h ALA 155 N 0.19 0.54 -0.64 1.25 0.00 -1.28 -0.25 119.26 119.07 1nqa h ALA 155 Ca -0.01 0.23 0.08 0.00 0.00 0.00 0.00 54.91 55.21 1nqa h ALA 155 Cb 0.52 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.68 1nqa h ALA 155 CO 0.02 -0.42 0.31 -1.35 0.00 0.00 0.00 179.25 177.81 1nqa h PRO 156 N 0.05 0.54 0.00 0.00 0.11 -1.75 -0.04 132.00 130.90 1nqa h PRO 156 Ca 0.33 -0.03 -0.01 0.00 0.11 0.00 0.00 66.00 66.40 1nqa h PRO 156 Cb 0.54 -0.12 -0.00 0.00 0.11 0.00 0.00 31.00 31.52 1nqa h PRO 156 CO -0.63 0.36 -0.64 0.27 -0.21 0.00 0.00 178.00 177.15 1nqa h PHE 157 N 0.56 0.00 -0.16 0.65 -5.15 -1.62 -3.11 116.94 108.10 1nqa h PHE 157 Ca 0.30 0.00 -0.11 0.00 -0.20 0.00 0.00 57.97 57.96 1nqa h PHE 157 Cb 0.28 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.44 1nqa h PHE 157 CO -0.11 0.03 -0.37 0.00 -2.00 0.00 0.00 178.31 175.86 1nqa h ALA 158 N 1.97 1.06 -0.49 12.09 0.00 -0.65 -1.05 119.26 132.18 1nqa h ALA 158 Ca -0.01 -0.40 -0.03 0.00 0.00 0.00 0.00 54.91 54.47 1nqa h ALA 158 Cb 1.03 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1nqa h ALA 158 CO 0.00 0.59 0.17 -0.22 0.00 0.00 0.00 179.25 179.80 1nqa h LYS 159 N 0.30 0.75 -0.15 0.00 3.64 -0.99 -0.95 116.57 119.18 1nqa h LYS 159 Ca 0.03 -0.15 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1nqa h LYS 159 Cb 0.80 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.50 1nqa h LYS 159 CO 0.06 0.69 0.00 0.28 -2.27 0.00 0.00 179.45 178.22 1nqa h VAL 160 N 0.66 1.25 -0.73 2.00 2.07 -1.40 -1.91 116.25 118.19 1nqa h VAL 160 Ca 0.16 -0.82 0.01 0.00 0.82 0.00 0.00 66.70 66.87 1nqa h VAL 160 Cb 0.24 1.50 -0.04 0.00 -1.52 0.00 0.00 31.29 31.47 1nqa h VAL 160 CO -0.01 0.24 0.48 -0.07 0.02 0.00 0.00 177.57 178.23 1nqa h LEU 161 N 0.01 0.83 -0.31 2.57 3.38 -1.12 -0.83 115.31 119.84 1nqa h LEU 161 Ca 0.04 -0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.94 1nqa h LEU 161 Cb 0.36 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 1nqa h LEU 161 CO 0.01 0.60 0.00 -0.74 0.09 0.00 0.00 178.44 178.40 1nqa h HIS 162 N 0.98 0.59 -0.44 1.13 2.76 -1.12 0.26 115.15 119.32 1nqa h HIS 162 Ca 0.27 -0.10 -0.13 0.00 -2.20 0.00 0.00 60.37 58.21 1nqa h HIS 162 Cb -0.11 -0.15 -0.01 0.00 1.55 0.00 0.00 27.41 28.68 1nqa h HIS 162 CO -0.02 0.67 -0.23 0.93 -1.30 0.00 0.00 177.93 177.98 1nqa h GLU 163 N 0.34 0.91 0.17 5.26 5.08 -1.21 -0.41 114.58 124.73 1nqa h GLU 163 Ca 0.09 -0.39 -0.33 0.00 -1.00 0.00 0.00 59.36 57.73 1nqa h GLU 163 Cb 0.44 -0.03 0.01 0.00 0.50 0.00 0.00 28.75 29.67 1nqa h GLU 163 CO 0.02 1.04 -1.58 1.96 -1.00 0.00 0.00 179.01 179.45 1nqa h GLN 164 N 0.79 0.36 0.00 2.33 1.08 -1.14 -3.42 115.11 115.11 1nqa h GLN 164 Ca 0.10 -0.62 0.00 0.00 -1.45 0.00 0.00 58.65 56.68 1nqa h GLN 164 Cb 0.79 0.23 0.00 0.00 -0.05 0.00 0.00 27.48 28.45 1nqa h GLN 164 CO 0.07 1.26 -0.84 1.19 -0.95 0.00 0.00 178.83 179.56 1nqa n PHE 165 N -3.56 0.00 -0.68 2.96 3.72 0.84 -5.05 117.46 115.68 1nqa n PHE 165 Ca -0.19 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.21 1nqa n PHE 165 Cb 1.07 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.61 1nqa n PHE 165 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1nqa n GLY 166 N 2.19 -2.52 3.67 1.37 0.00 -0.16 -3.23 105.19 106.50 1nqa n GLY 166 Ca 0.00 -0.72 -0.39 0.00 0.00 0.00 0.00 46.02 44.91 1nqa n GLY 166 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nqa s ILE 167 N 0.00 5.16 -0.17 -0.61 1.01 -1.26 -0.88 121.20 124.45 1nqa s ILE 167 Ca 0.00 0.83 -0.24 0.00 0.00 0.00 0.00 60.65 61.24 1nqa s ILE 167 Cb 0.00 -3.78 -0.21 0.00 0.01 0.00 0.00 42.46 38.47 1nqa s ILE 167 CO 0.00 0.23 0.48 0.58 0.00 0.00 0.00 174.94 176.23 1nqa h VAL 168 N 5.04 1.31 -1.59 2.92 2.07 -1.02 -3.47 116.25 121.51 1nqa h VAL 168 Ca -0.36 -2.18 0.19 0.00 0.82 0.00 0.00 66.70 65.18 1nqa h VAL 168 Cb 1.16 2.68 -0.20 0.00 -1.52 0.00 0.00 31.29 33.41 1nqa h VAL 168 CO 0.73 0.44 0.72 0.00 0.02 0.00 0.00 177.57 179.49 1nqa s ARG 169 N -2.25 0.42 0.20 1.57 1.70 -1.22 -4.84 118.95 114.54 1nqa s ARG 169 Ca -0.22 -0.09 -0.22 0.00 -0.47 0.00 0.00 55.73 54.73 1nqa s ARG 169 Cb 0.01 0.20 0.05 0.00 -0.57 0.00 0.00 34.95 34.64 1nqa s ARG 169 CO 0.61 -0.17 0.65 0.20 -1.08 0.00 0.00 175.30 175.51 1nqa s GLY 170 N -1.89 -0.42 0.02 3.88 0.00 -0.11 -0.17 107.32 108.63 1nqa s GLY 170 Ca 0.06 0.20 0.05 0.00 0.00 0.00 0.00 44.72 45.04 1nqa s GLY 170 CO -0.05 0.07 -0.16 1.06 0.00 0.00 0.00 173.10 174.02 1nqa s MET 171 N -3.80 1.17 0.13 2.90 -1.94 0.32 -2.85 119.30 115.22 1nqa s MET 171 Ca 0.05 -0.72 0.05 0.00 -1.71 0.00 0.00 55.69 53.36 1nqa s MET 171 Cb -0.03 -1.18 -0.04 0.00 2.01 0.00 0.00 34.83 35.59 1nqa s MET 171 CO -0.05 0.31 -0.12 0.00 -0.01 0.00 0.00 175.02 175.14 1nqa s MET 172 N -0.84 1.02 -0.02 2.03 0.23 -0.49 -0.90 119.30 120.33 1nqa s MET 172 Ca 0.05 -1.30 0.00 0.00 -1.03 0.00 0.00 55.69 53.40 1nqa s MET 172 Cb -0.07 -0.77 0.03 0.00 -1.53 0.00 0.00 34.83 32.48 1nqa s MET 172 CO 0.01 0.13 0.01 0.99 -2.03 0.00 0.00 175.02 174.13 1nqa s THR 173 N -2.57 0.07 -0.24 3.16 2.01 -0.52 -1.67 115.64 115.89 1nqa s THR 173 Ca 0.11 0.14 -0.03 0.00 0.31 0.00 0.00 61.69 62.22 1nqa s THR 173 Cb -0.02 -0.18 0.01 0.00 0.01 0.00 0.00 72.50 72.31 1nqa s THR 173 CO 0.02 0.12 -0.04 0.28 -0.69 0.00 0.00 174.62 174.31 1nqa s THR 174 N 0.99 3.24 -0.45 -0.82 -1.32 -0.85 -0.91 115.64 115.51 1nqa s THR 174 Ca -0.09 -0.70 -0.26 0.00 -1.21 0.00 0.00 61.69 59.43 1nqa s THR 174 Cb -0.13 -2.55 0.03 0.00 -1.51 0.00 0.00 72.50 68.34 1nqa s THR 174 CO -0.02 0.32 0.98 -0.69 -2.21 0.00 0.00 174.62 173.00 1nqa s VAL 175 N 1.43 4.42 -0.01 5.08 1.01 -0.79 -1.35 120.40 130.18 1nqa s VAL 175 Ca 0.04 0.92 0.06 0.00 0.00 0.00 0.00 61.98 63.00 1nqa s VAL 175 Cb -0.15 -4.47 -0.03 0.00 0.00 0.00 0.00 36.38 31.73 1nqa s VAL 175 CO -0.03 -0.85 -0.18 -2.28 0.00 0.00 0.00 175.10 171.76 1nqa s HIS 176 N 3.90 2.57 0.72 5.22 5.04 0.07 -1.87 115.29 130.94 1nqa s HIS 176 Ca 0.40 -0.25 -0.14 0.00 -1.54 0.00 0.00 55.06 53.53 1nqa s HIS 176 Cb -0.10 -1.54 0.03 0.00 0.04 0.00 0.00 32.58 31.01 1nqa s HIS 176 CO 0.27 0.16 1.15 -1.12 -2.34 0.00 0.00 174.74 172.86 1nqa s SER 177 N -0.95 4.54 0.70 9.88 0.01 -1.24 -1.14 113.70 125.51 1nqa s SER 177 Ca 0.12 2.13 -0.13 0.00 1.31 0.00 0.00 55.95 59.39 1nqa s SER 177 Cb -0.10 -2.56 0.02 0.00 0.21 0.00 0.00 66.02 63.58 1nqa s SER 177 CO 0.02 -2.02 1.10 -0.72 0.41 0.00 0.00 173.24 172.03 1nqa s TYR 178 N -2.28 2.61 0.33 2.43 -0.85 -0.65 -4.75 117.35 114.19 1nqa s TYR 178 Ca 0.69 1.55 0.03 0.00 -0.52 0.00 0.00 57.07 58.83 1nqa s TYR 178 Cb -0.24 -3.12 -0.05 0.00 0.38 0.00 0.00 41.96 38.94 1nqa s TYR 178 CO 0.45 -1.73 0.08 0.95 -1.52 0.00 0.00 175.55 173.79 1nqa s THR 179 N -2.57 0.90 -1.65 -3.49 -4.23 -1.26 -4.73 115.64 98.60 1nqa s THR 179 Ca 0.65 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 59.25 1nqa s THR 179 Cb -0.19 -2.65 0.22 0.00 1.34 0.00 0.00 72.50 71.21 1nqa s THR 179 CO 0.47 0.00 1.13 0.59 -0.54 0.00 0.00 174.62 176.28 1nqa n ASN 180 N -0.79 0.00 -0.07 3.99 3.02 -1.26 -1.60 115.26 118.55 1nqa n ASN 180 Ca -0.03 -0.03 0.14 0.00 -0.03 0.00 0.00 54.58 54.63 1nqa n ASN 180 Cb 0.66 -0.17 0.62 0.00 -0.61 0.00 0.00 39.78 40.28 1nqa n ASN 180 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1nqa n ASP 181 N -1.17 0.32 -1.77 6.41 2.03 -1.26 -4.85 116.55 116.25 1nqa n ASP 181 Ca 0.06 -0.35 0.00 0.00 0.52 0.00 0.00 54.79 55.02 1nqa n ASP 181 Cb 0.06 -0.14 0.00 0.00 -0.72 0.00 0.00 41.12 40.32 1nqa n ASP 181 CO 0.00 0.00 0.00 0.00 -1.92 0.00 0.00 177.20 175.28 1nqa n GLN 182 N -1.12 1.06 -4.44 -0.67 6.02 -0.63 -4.98 117.38 112.62 1nqa n GLN 182 Ca 0.13 0.00 -0.22 0.00 -0.01 0.00 0.00 57.00 56.90 1nqa n GLN 182 Cb 0.28 0.00 -0.14 0.00 1.02 0.00 0.00 30.24 31.40 1nqa n GLN 182 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 1nqa s ARG 183 N -1.41 1.07 0.01 -1.09 1.81 -1.17 -5.03 118.95 113.13 1nqa s ARG 183 Ca 0.00 -0.80 -0.25 0.00 -1.72 0.00 0.00 55.73 52.96 1nqa s ARG 183 Cb 0.00 -1.11 -0.18 0.00 -0.45 0.00 0.00 34.95 33.21 1nqa s ARG 183 CO 0.00 0.28 1.35 0.82 -0.68 0.00 0.00 175.30 177.07 1nqa h ILE 184 N 4.47 1.04 -3.47 1.52 2.04 -1.91 0.54 117.51 121.75 1nqa h ILE 184 Ca -0.39 -0.71 -0.33 0.00 1.00 0.00 0.00 64.86 64.42 1nqa h ILE 184 Cb 1.17 1.48 -0.35 0.00 -0.74 0.00 0.00 36.82 38.39 1nqa h ILE 184 CO 0.44 0.17 -0.74 -0.76 0.00 0.00 0.00 178.15 177.26 1nqa s LEU 185 N -9.52 0.96 0.00 1.44 1.43 -1.26 -3.79 118.68 107.94 1nqa s LEU 185 Ca -0.15 0.01 0.00 0.00 -1.03 0.00 0.00 54.13 52.96 1nqa s LEU 185 Cb 0.03 -0.16 0.00 0.00 0.03 0.00 0.00 46.19 46.09 1nqa s LEU 185 CO 0.62 -0.14 0.00 0.47 0.23 0.00 0.00 176.35 177.53 1nqa n ASP 186 N 4.36 0.00 -4.31 2.29 9.92 -1.21 -4.77 116.55 122.84 1nqa n ASP 186 Ca -0.23 0.00 -0.17 0.00 -0.53 0.00 0.00 54.79 53.86 1nqa n ASP 186 Cb 0.50 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.88 1nqa n ASP 186 CO 0.00 0.00 0.00 -0.76 0.13 0.00 0.00 177.20 176.57 1nqa s LEU 187 N 0.00 2.54 0.31 0.64 1.43 0.30 -4.99 118.68 118.92 1nqa s LEU 187 Ca 0.00 -1.02 -0.29 0.00 -1.03 0.00 0.00 54.13 51.79 1nqa s LEU 187 Cb 0.00 -0.54 -0.13 0.00 0.03 0.00 0.00 46.19 45.56 1nqa s LEU 187 CO 0.00 -0.24 1.33 -2.65 0.23 0.00 0.00 176.35 175.02 1nqa n PRO 188 N -0.31 2.13 -3.62 1.29 -0.02 -1.26 -4.47 135.00 128.74 1nqa n PRO 188 Ca -0.09 0.75 -0.14 0.00 -2.02 0.00 0.00 63.50 62.00 1nqa n PRO 188 Cb 0.60 -2.36 -0.07 0.00 -0.02 0.00 0.00 33.50 31.66 1nqa n PRO 188 CO 0.00 0.00 0.00 -1.58 1.98 0.00 0.00 175.50 175.90 1nqa s HIS 190 N -0.79 -0.77 0.41 6.00 2.46 -1.26 -4.93 115.29 116.41 1nqa s HIS 190 Ca 0.59 1.84 0.12 0.00 0.47 0.00 0.00 55.06 58.08 1nqa s HIS 190 Cb -0.58 0.28 0.96 0.00 -0.13 0.00 0.00 32.58 33.11 1nqa s HIS 190 CO 0.58 -0.40 1.95 1.57 -2.47 0.00 0.00 174.74 175.97 1nqa h LYS 191 N 4.79 0.49 -4.73 2.88 2.10 -1.98 -3.33 116.57 116.79 1nqa h LYS 191 Ca -0.29 -0.03 -0.70 0.00 -2.00 0.00 0.00 60.65 57.63 1nqa h LYS 191 Cb 1.16 -0.11 -0.20 0.00 -0.90 0.00 0.00 32.23 32.18 1nqa h LYS 191 CO 0.09 0.32 -0.17 0.34 -2.00 0.00 0.00 179.45 178.03 1nqa s ASP 192 N -6.12 6.19 0.22 7.07 -1.08 -1.26 -4.95 116.67 116.74 1nqa s ASP 192 Ca -0.08 -0.93 0.15 0.00 -0.52 0.00 0.00 52.55 51.16 1nqa s ASP 192 Cb 0.20 -2.23 0.80 0.00 -1.46 0.00 0.00 42.92 40.23 1nqa s ASP 192 CO 0.76 -0.69 1.45 0.18 0.52 0.00 0.00 175.17 177.39 1nqa n LEU 193 N 5.65 0.38 -0.02 -1.34 4.77 -1.25 -1.64 117.00 123.56 1nqa n LEU 193 Ca -0.09 0.68 -0.20 0.00 -0.03 0.00 0.00 56.01 56.38 1nqa n LEU 193 Cb 0.46 -0.73 -0.13 0.00 -2.33 0.00 0.00 43.42 40.68 1nqa n LEU 193 CO 0.49 -0.81 -0.18 0.03 -1.33 0.00 0.00 177.39 175.59 1nqa h ARG 194 N 0.00 0.17 0.00 3.23 2.47 -1.92 -3.32 114.38 115.02 1nqa h ARG 194 Ca 0.00 -0.29 0.00 0.00 -1.26 0.00 0.00 59.98 58.43 1nqa h ARG 194 Cb 0.00 0.11 0.00 0.00 -1.65 0.00 0.00 29.97 28.43 1nqa h ARG 194 CO 0.00 1.14 0.00 0.54 0.56 0.00 0.00 179.97 182.21 1nqa n ARG 195 N -4.19 0.12 0.15 0.04 1.74 -0.65 -2.23 116.66 111.64 1nqa n ARG 195 Ca -0.21 0.19 0.13 0.00 -0.77 0.00 0.00 57.85 57.19 1nqa n ARG 195 Cb 0.76 -1.50 0.39 0.00 -1.02 0.00 0.00 32.46 31.10 1nqa n ARG 195 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1nqa h ALA 196 N 2.61 1.00 -2.50 7.54 0.00 -1.53 -3.10 119.26 123.28 1nqa h ALA 196 Ca 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 54.91 54.38 1nqa h ALA 196 Cb 0.19 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.95 1nqa h ALA 196 CO 0.00 0.00 0.03 1.03 0.00 0.00 0.00 179.25 180.31 1nqa s ARG 197 N -3.21 4.09 -0.58 0.00 1.81 -0.95 -0.54 118.95 119.58 1nqa s ARG 197 Ca 0.08 0.68 -0.37 0.00 -1.72 0.00 0.00 55.73 54.39 1nqa s ARG 197 Cb 0.10 -2.79 -0.18 0.00 -0.45 0.00 0.00 34.95 31.63 1nqa s ARG 197 CO 0.57 0.36 2.10 0.00 -0.68 0.00 0.00 175.30 177.65 1nqa n ALA 198 N 0.46 0.22 -0.05 2.13 0.00 -1.26 -4.42 120.51 117.60 1nqa n ALA 198 Ca -0.02 0.06 0.06 0.00 0.00 0.00 0.00 53.44 53.54 1nqa n ALA 198 Cb 0.52 -1.95 0.42 0.00 0.00 0.00 0.00 19.45 18.44 1nqa n ALA 198 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1nqa h ALA 199 N 8.97 1.76 -0.26 0.00 0.00 -0.97 -2.74 119.26 126.02 1nqa h ALA 199 Ca -0.08 -0.03 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1nqa h ALA 199 Cb 1.28 -0.16 0.00 0.00 0.00 0.00 0.00 17.79 18.91 1nqa h ALA 199 CO 1.07 0.19 0.00 0.00 0.00 0.00 0.00 179.25 180.51 1nqa n ALA 200 N -2.48 2.48 0.24 0.00 0.00 -1.26 -4.10 120.51 115.40 1nqa n ALA 200 Ca 0.05 -0.65 0.05 0.00 0.00 0.00 0.00 53.44 52.89 1nqa n ALA 200 Cb 0.14 -1.02 -0.06 0.00 0.00 0.00 0.00 19.45 18.50 1nqa n ALA 200 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1nqa n GLU 201 N 0.62 2.25 -4.17 0.00 -0.58 -1.03 -4.76 120.64 112.97 1nqa n GLU 201 Ca 0.16 -0.04 -0.12 0.00 -0.42 0.00 0.00 57.16 56.74 1nqa n GLU 201 Cb 0.38 -1.08 -0.09 0.00 -0.57 0.00 0.00 31.44 30.09 1nqa n GLU 201 CO 0.00 0.00 0.00 -1.12 -0.48 0.00 0.00 177.13 175.53 1nqa s SER 202 N -2.45 0.20 -0.26 1.62 0.01 -1.23 -5.05 113.70 106.53 1nqa s SER 202 Ca 0.00 -1.33 -0.18 0.00 1.31 0.00 0.00 55.95 55.75 1nqa s SER 202 Cb 0.07 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.70 1nqa s SER 202 CO 0.40 -0.91 0.51 -0.63 0.41 0.00 0.00 173.24 173.02 1nqa s ILE 203 N -4.08 5.08 -0.33 1.44 1.01 -1.26 -4.15 121.20 118.91 1nqa s ILE 203 Ca 0.36 0.87 0.01 0.00 0.00 0.00 0.00 60.65 61.89 1nqa s ILE 203 Cb 0.05 -3.82 0.08 0.00 0.01 0.00 0.00 42.46 38.78 1nqa s ILE 203 CO 0.12 0.09 0.05 -0.63 0.00 0.00 0.00 174.94 174.57 1nqa s ILE 204 N 2.26 2.64 0.45 2.92 1.01 0.17 -4.93 121.20 125.73 1nqa s ILE 204 Ca 0.21 -1.95 -0.24 0.00 0.00 0.00 0.00 60.65 58.67 1nqa s ILE 204 Cb -0.16 -2.75 -0.07 0.00 0.01 0.00 0.00 42.46 39.49 1nqa s ILE 204 CO 0.09 -0.41 1.26 -2.84 0.00 0.00 0.00 174.94 173.04 1nqa s PRO 205 N 1.07 3.72 -0.09 2.79 0.02 -1.26 -0.83 135.00 140.42 1nqa s PRO 205 Ca 0.03 2.02 -0.28 0.00 0.02 0.00 0.00 61.00 62.80 1nqa s PRO 205 Cb -0.20 -2.52 0.06 0.00 0.02 0.00 0.00 34.50 31.86 1nqa s PRO 205 CO -0.05 -0.65 0.65 -0.08 -0.33 0.00 0.00 177.00 176.53 1nqa s THR 206 N -1.38 0.01 0.79 0.99 -1.32 -0.02 -4.78 115.64 109.92 1nqa s THR 206 Ca 0.62 -0.04 -0.11 0.00 -1.21 0.00 0.00 61.69 60.95 1nqa s THR 206 Cb -0.35 -0.95 0.07 0.00 -1.51 0.00 0.00 72.50 69.76 1nqa s THR 206 CO 0.43 -0.02 1.09 0.42 -2.21 0.00 0.00 174.62 174.33 1nqa s THR 207 N -0.88 3.22 -0.22 5.08 -4.23 -1.26 -0.93 115.64 116.42 1nqa s THR 207 Ca -0.09 0.40 -0.26 0.00 -1.18 0.00 0.00 61.69 60.55 1nqa s THR 207 Cb -0.01 -2.86 0.08 0.00 1.34 0.00 0.00 72.50 71.05 1nqa s THR 207 CO 0.08 -0.52 0.78 0.28 -0.54 0.00 0.00 174.62 174.69 1nqa s THR 208 N -2.89 0.00 -0.44 3.99 -1.32 -1.26 -4.65 115.64 109.06 1nqa s THR 208 Ca 0.62 0.00 0.16 0.00 -1.21 0.00 0.00 61.69 61.25 1nqa s THR 208 Cb -0.17 -1.00 0.63 0.00 -1.51 0.00 0.00 72.50 70.45 1nqa s THR 208 CO 0.56 0.00 1.54 0.61 -2.21 0.00 0.00 174.62 175.12 1nqa n GLY 209 N 2.17 3.38 0.34 6.08 0.00 -1.26 -4.59 105.19 111.30 1nqa n GLY 209 Ca -0.15 -0.91 -0.00 0.00 0.00 0.00 0.00 46.02 44.96 1nqa n GLY 209 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1nqa h ALA 210 N 2.89 1.19 -0.36 4.61 0.00 -1.96 0.20 119.26 125.83 1nqa h ALA 210 Ca 0.00 -0.03 -0.14 0.00 0.00 0.00 0.00 54.91 54.74 1nqa h ALA 210 Cb 1.54 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 19.03 1nqa h ALA 210 CO 0.28 0.40 -0.34 0.00 0.00 0.00 0.00 179.25 179.59 1nqa h ALA 211 N 1.38 0.52 -0.60 0.00 0.00 -1.89 -3.03 119.26 115.64 1nqa h ALA 211 Ca 0.36 -0.43 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1nqa h ALA 211 Cb 0.05 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1nqa h ALA 211 CO -0.13 0.59 0.16 -0.22 0.00 0.00 0.00 179.25 179.64 1nqa h LYS 212 N 0.66 0.96 0.00 0.00 1.63 -1.60 -2.69 116.57 115.54 1nqa h LYS 212 Ca 0.06 -0.23 0.00 0.00 -0.85 0.00 0.00 60.65 59.63 1nqa h LYS 212 Cb 0.92 -0.13 0.00 0.00 -0.60 0.00 0.00 32.23 32.42 1nqa h LYS 212 CO 0.08 0.88 0.03 0.00 -3.45 0.00 0.00 179.45 176.99 1nqa h ALA 213 N 1.04 1.03 -0.79 5.00 0.00 -0.51 -1.72 119.26 123.32 1nqa h ALA 213 Ca 0.19 0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.17 1nqa h ALA 213 Cb 0.34 0.00 -0.05 0.00 0.00 0.00 0.00 17.79 18.08 1nqa h ALA 213 CO 0.00 -0.03 0.52 0.28 0.00 0.00 0.00 179.25 180.02 1nqa h VAL 214 N 0.00 1.03 -0.14 0.00 2.07 -1.40 -0.30 116.25 117.52 1nqa h VAL 214 Ca 0.00 -0.29 0.04 0.00 0.82 0.00 0.00 66.70 67.27 1nqa h VAL 214 Cb 0.06 0.11 -0.01 0.00 -1.52 0.00 0.00 31.29 29.94 1nqa h VAL 214 CO 0.00 0.15 0.17 0.00 0.02 0.00 0.00 177.57 177.92 1nqa h ALA 215 N 1.57 1.68 -0.00 1.67 0.00 -1.49 0.36 119.26 123.05 1nqa h ALA 215 Ca 0.34 -0.00 -0.12 0.00 0.00 0.00 0.00 54.91 55.13 1nqa h ALA 215 Cb 0.24 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 18.03 1nqa h ALA 215 CO -0.12 -0.24 -0.55 -0.07 0.00 0.00 0.00 179.25 178.27 1nqa h LEU 216 N 0.00 0.01 0.00 0.00 3.38 -1.23 -2.38 115.31 115.09 1nqa h LEU 216 Ca 0.06 -0.01 0.00 0.00 0.09 0.00 0.00 57.88 58.03 1nqa h LEU 216 Cb 0.41 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.16 1nqa h LEU 216 CO -0.00 0.56 -0.64 1.33 0.09 0.00 0.00 178.44 179.78 1nqa n VAL 217 N -3.89 0.00 -3.20 1.22 0.24 -0.14 -4.71 118.33 107.85 1nqa n VAL 217 Ca -0.01 -0.23 -0.23 0.00 -2.04 0.00 0.00 64.34 61.83 1nqa n VAL 217 Cb 0.56 0.94 -0.07 0.00 -1.47 0.00 0.00 33.84 33.80 1nqa n VAL 217 CO 0.00 0.00 0.00 0.18 -2.14 0.00 0.00 176.83 174.87 1nqa n LEU 218 N -1.33 -0.28 -0.01 1.34 4.77 0.11 -4.62 117.00 116.98 1nqa n LEU 218 Ca 0.02 -4.48 0.22 0.00 -0.03 0.00 0.00 56.01 51.74 1nqa n LEU 218 Cb 0.20 0.63 0.58 0.00 -2.33 0.00 0.00 43.42 42.50 1nqa n LEU 218 CO 0.24 2.01 1.20 1.55 -1.33 0.00 0.00 177.39 181.07 1nqa h PRO 219 N 4.42 0.00 0.00 3.23 0.13 -1.65 0.53 132.00 138.65 1nqa h PRO 219 Ca 0.10 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.23 1nqa h PRO 219 Cb 0.90 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.03 1nqa h PRO 219 CO 0.42 0.00 0.00 0.39 -0.23 0.00 0.00 178.00 178.58 1nqa n GLU 220 N -3.37 0.09 -0.54 0.86 1.02 -1.26 -2.25 120.64 115.18 1nqa n GLU 220 Ca 0.13 0.24 0.10 0.00 -0.02 0.00 0.00 57.16 57.62 1nqa n GLU 220 Cb 1.03 -1.64 0.35 0.00 -0.02 0.00 0.00 31.44 31.16 1nqa n GLU 220 CO 0.00 0.00 0.00 1.28 1.18 0.00 0.00 177.13 179.59 1nqa n LEU 221 N -1.80 4.54 -4.70 -4.62 4.77 0.18 -4.94 117.00 110.42 1nqa n LEU 221 Ca 0.04 -2.29 -0.43 0.00 -0.03 0.00 0.00 56.01 53.30 1nqa n LEU 221 Cb 0.26 -0.56 -0.03 0.00 -2.33 0.00 0.00 43.42 40.76 1nqa n LEU 221 CO 0.20 0.89 1.41 1.17 -1.33 0.00 0.00 177.39 179.72 1nqa n LYS 222 N 1.36 2.67 -0.97 3.23 3.00 -0.95 -1.57 118.16 124.93 1nqa n LYS 222 Ca 0.26 0.97 0.00 0.00 -0.00 0.00 0.00 58.31 59.54 1nqa n LYS 222 Cb 0.81 -2.83 0.00 0.00 0.00 0.00 0.00 35.03 33.01 1nqa n LYS 222 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nqa n GLY 223 N 4.05 0.39 0.00 3.14 0.00 -1.26 -4.87 105.19 106.63 1nqa n GLY 223 Ca 0.17 0.00 0.08 0.00 0.00 0.00 0.00 46.02 46.27 1nqa n GLY 223 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqa n LYS 224 N -1.68 1.34 -4.21 1.61 5.02 -0.61 -5.01 118.16 114.62 1nqa n LYS 224 Ca 0.00 -0.05 -0.19 0.00 -2.02 0.00 0.00 58.31 56.05 1nqa n LYS 224 Cb 0.14 -1.29 -0.12 0.00 -0.02 0.00 0.00 35.03 33.74 1nqa n LYS 224 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1nqa s LEU 225 N -3.22 2.33 0.22 -0.35 1.43 -1.25 -0.94 118.68 116.90 1nqa s LEU 225 Ca 0.02 -0.70 -0.21 0.00 -1.03 0.00 0.00 54.13 52.21 1nqa s LEU 225 Cb 0.11 -0.57 0.04 0.00 0.03 0.00 0.00 46.19 45.81 1nqa s LEU 225 CO 0.66 -0.09 0.65 0.21 0.23 0.00 0.00 176.35 178.01 1nqa s ASN 226 N -2.03 -0.38 0.00 2.29 2.47 -1.13 -4.05 114.94 112.10 1nqa s ASN 226 Ca 0.03 -0.36 0.00 0.00 0.42 0.00 0.00 52.86 52.95 1nqa s ASN 226 Cb -0.08 0.66 0.00 0.00 -1.45 0.00 0.00 41.25 40.39 1nqa s ASN 226 CO 0.03 -1.17 0.00 0.61 -3.72 0.00 0.00 177.10 172.84 1nqa n GLY 227 N -0.42 1.06 3.61 1.21 0.00 -1.26 -1.39 105.19 108.00 1nqa n GLY 227 Ca -0.10 -0.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.98 1nqa n GLY 227 CO 0.00 0.00 0.00 -3.16 0.00 0.00 0.00 173.32 170.16 1nqa s MET 228 N -1.54 1.75 0.17 1.61 0.23 -0.67 -4.45 119.30 116.41 1nqa s MET 228 Ca 0.00 -1.39 0.07 0.00 -1.03 0.00 0.00 55.69 53.34 1nqa s MET 228 Cb 0.00 0.49 -0.04 0.00 -1.53 0.00 0.00 34.83 33.75 1nqa s MET 228 CO 0.00 -0.75 -0.15 0.00 -2.03 0.00 0.00 175.02 172.10 1nqa s ALA 229 N -3.53 1.83 -0.21 3.16 0.00 -0.10 -2.02 121.76 120.88 1nqa s ALA 229 Ca 0.23 -1.52 -0.04 0.00 0.00 0.00 0.00 51.96 50.63 1nqa s ALA 229 Cb -0.01 -0.09 0.07 0.00 0.00 0.00 0.00 23.12 23.09 1nqa s ALA 229 CO 0.12 0.09 0.08 -1.64 0.00 0.00 0.00 175.76 174.41 1nqa s MET 230 N -3.28 0.34 0.06 0.00 -1.94 -0.46 -0.84 119.30 113.17 1nqa s MET 230 Ca 0.17 -0.35 -0.29 0.00 -1.71 0.00 0.00 55.69 53.51 1nqa s MET 230 Cb -0.02 -1.82 -0.05 0.00 2.01 0.00 0.00 34.83 34.95 1nqa s MET 230 CO 0.05 -0.75 0.94 1.03 -0.01 0.00 0.00 175.02 176.28 1nqa s ARG 231 N 2.00 4.62 0.28 2.03 1.81 -0.01 -0.75 118.95 128.92 1nqa s ARG 231 Ca 0.03 1.38 0.06 0.00 -1.72 0.00 0.00 55.73 55.48 1nqa s ARG 231 Cb -0.16 -3.41 -0.06 0.00 -0.45 0.00 0.00 34.95 30.87 1nqa s ARG 231 CO -0.15 0.12 -0.04 0.14 -0.68 0.00 0.00 175.30 174.70 1nqa s VAL 232 N 0.39 1.50 -0.41 3.52 -7.23 -0.29 0.46 120.40 118.33 1nqa s VAL 232 Ca 0.48 -2.09 -0.04 0.00 -1.81 0.00 0.00 61.98 58.51 1nqa s VAL 232 Cb -0.22 -2.48 -0.08 0.00 0.56 0.00 0.00 36.38 34.16 1nqa s VAL 232 CO 0.28 -0.27 1.98 -2.65 -0.31 0.00 0.00 175.10 174.13 1nqa n PRO 233 N -0.57 1.40 -4.67 4.82 -0.02 -1.26 -3.08 135.00 131.62 1nqa n PRO 233 Ca -0.05 -0.92 -0.25 0.00 -2.02 0.00 0.00 63.50 60.26 1nqa n PRO 233 Cb 0.64 -2.08 -0.14 0.00 -0.02 0.00 0.00 33.50 31.90 1nqa n PRO 233 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1nqa s THR 234 N 2.88 1.57 0.07 3.45 -4.23 -1.26 -5.01 115.64 113.11 1nqa s THR 234 Ca 0.33 -1.10 0.15 0.00 -1.18 0.00 0.00 61.69 59.90 1nqa s THR 234 Cb 0.12 -1.36 0.05 0.00 1.34 0.00 0.00 72.50 72.65 1nqa s THR 234 CO -0.02 0.23 1.57 1.55 -0.54 0.00 0.00 174.62 177.42 1nqa h PRO 235 N 5.04 0.00 -2.43 3.99 0.13 -1.87 -1.72 132.00 135.14 1nqa h PRO 235 Ca -0.41 0.00 0.03 0.00 -0.87 0.00 0.00 66.00 64.75 1nqa h PRO 235 Cb 1.16 0.00 -0.15 0.00 0.13 0.00 0.00 31.00 32.13 1nqa h PRO 235 CO 0.45 0.52 0.34 1.21 -0.23 0.00 0.00 178.00 180.29 1nqa s ASN 236 N -6.51 -0.49 0.00 1.44 2.47 -1.26 -4.67 114.94 105.91 1nqa s ASN 236 Ca 0.01 0.16 0.00 0.00 0.42 0.00 0.00 52.86 53.45 1nqa s ASN 236 Cb 0.10 0.48 0.00 0.00 -1.45 0.00 0.00 41.25 40.38 1nqa s ASN 236 CO 0.73 -0.72 0.00 0.52 -3.72 0.00 0.00 177.10 173.91 1nqa n VAL 237 N -0.00 -0.55 -4.37 -5.21 0.31 -1.26 -4.87 118.33 102.38 1nqa n VAL 237 Ca -0.14 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.99 1nqa n VAL 237 Cb 0.62 -0.54 -0.09 0.00 -0.91 0.00 0.00 33.84 32.92 1nqa n VAL 237 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1nqa s SER 238 N -0.56 1.89 -0.11 4.52 0.01 0.18 -3.64 113.70 115.98 1nqa s SER 238 Ca 0.00 -1.64 -0.10 0.00 1.31 0.00 0.00 55.95 55.52 1nqa s SER 238 Cb 0.00 0.47 0.03 0.00 0.21 0.00 0.00 66.02 66.73 1nqa s SER 238 CO 0.00 -0.95 0.29 0.54 0.41 0.00 0.00 173.24 173.53 1nqa s VAL 239 N -3.47 -0.00 -0.16 3.43 0.11 -0.78 -1.10 120.40 118.42 1nqa s VAL 239 Ca 0.34 0.01 -0.10 0.00 -2.93 0.00 0.00 61.98 59.30 1nqa s VAL 239 Cb 0.04 -0.41 -0.05 0.00 -1.53 0.00 0.00 36.38 34.43 1nqa s VAL 239 CO 0.19 0.00 0.17 -0.69 -3.33 0.00 0.00 175.10 171.45 1nqa s VAL 240 N 0.25 5.40 -0.34 2.04 1.01 0.22 -1.88 120.40 127.10 1nqa s VAL 240 Ca -0.01 0.28 0.03 0.00 0.00 0.00 0.00 61.98 62.28 1nqa s VAL 240 Cb -0.03 -3.49 0.10 0.00 0.00 0.00 0.00 36.38 32.96 1nqa s VAL 240 CO -0.00 0.48 0.05 -0.62 0.00 0.00 0.00 175.10 175.00 1nqa s ASP 241 N -0.03 4.79 -0.19 3.32 2.15 -0.09 -0.93 116.67 125.68 1nqa s ASP 241 Ca 0.12 -2.04 -0.06 0.00 0.43 0.00 0.00 52.55 51.01 1nqa s ASP 241 Cb -0.12 -1.64 -0.03 0.00 -0.30 0.00 0.00 42.92 40.83 1nqa s ASP 241 CO 0.01 -0.37 0.02 -0.22 -0.17 0.00 0.00 175.17 174.44 1nqa s LEU 242 N 0.96 3.44 -0.20 -1.34 2.96 -0.39 -1.43 118.68 122.67 1nqa s LEU 242 Ca 0.08 -0.10 -0.02 0.00 -0.22 0.00 0.00 54.13 53.87 1nqa s LEU 242 Cb -0.20 -1.87 0.00 0.00 0.50 0.00 0.00 46.19 44.63 1nqa s LEU 242 CO -0.07 0.11 -0.10 -0.69 -1.32 0.00 0.00 176.35 174.28 1nqa s VAL 243 N 0.75 2.90 0.05 1.68 1.01 -0.08 -0.86 120.40 125.84 1nqa s VAL 243 Ca 0.01 -0.66 0.03 0.00 0.00 0.00 0.00 61.98 61.36 1nqa s VAL 243 Cb -0.14 -2.29 -0.03 0.00 0.00 0.00 0.00 36.38 33.93 1nqa s VAL 243 CO 0.02 0.47 -0.08 0.00 0.00 0.00 0.00 175.10 175.50 1nqa s ALA 244 N 1.36 0.68 -0.23 5.51 0.00 -0.05 -0.52 121.76 128.50 1nqa s ALA 244 Ca 0.05 -0.84 -0.16 0.00 0.00 0.00 0.00 51.96 51.00 1nqa s ALA 244 Cb -0.14 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 22.98 1nqa s ALA 244 CO -0.06 -0.01 0.42 -2.00 0.00 0.00 0.00 175.76 174.11 1nqa s GLU 245 N -1.78 4.11 0.24 0.00 2.56 0.76 -1.18 118.70 123.43 1nqa s GLU 245 Ca -0.07 0.19 0.04 0.00 0.00 0.00 0.00 54.97 55.13 1nqa s GLU 245 Cb -0.09 -3.59 -0.03 0.00 2.00 0.00 0.00 34.13 32.42 1nqa s GLU 245 CO 0.00 -0.17 0.38 -0.51 -0.56 0.00 0.00 175.26 174.40 1nqa s LEU 246 N 1.72 4.28 0.35 2.70 1.02 0.10 -0.38 118.68 128.47 1nqa s LEU 246 Ca 0.19 0.14 0.22 0.00 0.02 0.00 0.00 54.13 54.69 1nqa s LEU 246 Cb -0.15 -2.93 0.21 0.00 0.02 0.00 0.00 46.19 43.34 1nqa s LEU 246 CO 0.09 -0.09 1.43 -0.33 0.02 0.00 0.00 176.35 177.47 1nqa h GLU 247 N 1.23 0.00 -6.71 1.70 5.08 -1.02 -3.45 114.58 111.41 1nqa h GLU 247 Ca -0.51 0.00 -0.66 0.00 -1.00 0.00 0.00 59.36 57.19 1nqa h GLU 247 Cb 1.22 0.00 -0.22 0.00 0.50 0.00 0.00 28.75 30.25 1nqa h GLU 247 CO 0.62 0.06 -0.86 0.21 -1.00 0.00 0.00 179.01 178.04 1nqa s LYS 248 N -3.21 1.36 0.20 2.33 2.20 -1.20 -5.07 119.74 116.35 1nqa s LYS 248 Ca 0.05 -1.28 -0.30 0.00 -0.36 0.00 0.00 55.97 54.07 1nqa s LYS 248 Cb 0.06 -1.78 -0.08 0.00 -1.51 0.00 0.00 37.83 34.52 1nqa s LYS 248 CO 0.71 0.42 1.18 -1.21 -0.36 0.00 0.00 175.35 176.10 1nqa s GLU 249 N -1.96 4.51 0.22 4.03 0.41 -1.26 -4.72 118.70 119.93 1nqa s GLU 249 Ca 0.12 1.87 -0.03 0.00 -0.41 0.00 0.00 54.97 56.51 1nqa s GLU 249 Cb -0.10 -3.23 -0.03 0.00 -1.78 0.00 0.00 34.13 28.99 1nqa s GLU 249 CO 0.05 -0.05 0.23 0.14 -0.49 0.00 0.00 175.26 175.14 1nqa s VAL 250 N -0.22 0.00 0.28 2.63 -7.23 -0.58 -5.03 120.40 110.25 1nqa s VAL 250 Ca 0.51 -1.85 0.06 0.00 -1.81 0.00 0.00 61.98 58.90 1nqa s VAL 250 Cb -0.33 -2.43 -0.06 0.00 0.56 0.00 0.00 36.38 34.12 1nqa s VAL 250 CO 0.38 0.00 -0.05 0.42 -0.31 0.00 0.00 175.10 175.53 1nqa s THR 251 N -4.07 1.62 0.22 5.32 -4.23 -1.26 -4.68 115.64 108.56 1nqa s THR 251 Ca 0.35 -2.12 -0.08 0.00 -1.18 0.00 0.00 61.69 58.66 1nqa s THR 251 Cb 0.05 -2.47 0.16 0.00 1.34 0.00 0.00 72.50 71.58 1nqa s THR 251 CO 0.12 -0.28 1.78 0.58 -0.54 0.00 0.00 174.62 176.28 1nqa h VAL 252 N 2.26 0.87 -0.81 2.29 2.07 -1.92 -2.04 116.25 118.97 1nqa h VAL 252 Ca -0.40 -0.20 -0.01 0.00 0.82 0.00 0.00 66.70 66.91 1nqa h VAL 252 Cb 1.23 0.22 -0.04 0.00 -1.52 0.00 0.00 31.29 31.19 1nqa h VAL 252 CO 0.67 0.11 0.48 -0.33 0.02 0.00 0.00 177.57 178.53 1nqa h GLU 253 N 0.60 1.11 -0.42 1.57 3.07 -1.96 -1.02 114.58 117.53 1nqa h GLU 253 Ca 0.33 -0.10 -0.13 0.00 -0.50 0.00 0.00 59.36 58.96 1nqa h GLU 253 Cb 0.32 -0.23 -0.01 0.00 -0.84 0.00 0.00 28.75 27.99 1nqa h GLU 253 CO -0.25 0.79 -0.26 0.93 -1.40 0.00 0.00 179.01 178.82 1nqa h GLU 254 N 1.12 0.87 0.20 2.33 5.08 -1.85 -0.71 114.58 121.62 1nqa h GLU 254 Ca 0.29 -0.38 -0.01 0.00 -1.00 0.00 0.00 59.36 58.26 1nqa h GLU 254 Cb -0.03 -0.02 0.00 0.00 0.50 0.00 0.00 28.75 29.19 1nqa h GLU 254 CO -0.05 1.03 -0.10 0.28 -1.00 0.00 0.00 179.01 179.17 1nqa h VAL 255 N 0.75 0.89 -0.69 3.13 2.07 -1.13 -1.92 116.25 119.36 1nqa h VAL 255 Ca 0.09 -0.53 0.05 0.00 0.82 0.00 0.00 66.70 67.14 1nqa h VAL 255 Cb 0.81 1.20 -0.05 0.00 -1.52 0.00 0.00 31.29 31.72 1nqa h VAL 255 CO 0.07 0.12 0.40 0.78 0.02 0.00 0.00 177.57 178.95 1nqa h ASN 256 N -0.53 0.61 -0.65 0.57 -0.26 -1.17 -1.42 115.58 112.73 1nqa h ASN 256 Ca -0.03 0.02 -0.02 0.00 -0.56 0.00 0.00 56.30 55.72 1nqa h ASN 256 Cb 0.40 -0.10 -0.03 0.00 -1.06 0.00 0.00 38.32 37.53 1nqa h ASN 256 CO 0.05 0.40 0.34 0.00 -1.06 0.00 0.00 177.43 177.16 1nqa h ALA 257 N 1.34 0.83 -0.61 -0.83 0.00 -1.08 0.14 119.26 119.05 1nqa h ALA 257 Ca 0.30 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 55.02 1nqa h ALA 257 Cb 0.14 -0.26 -0.02 0.00 0.00 0.00 0.00 17.79 17.65 1nqa h ALA 257 CO -0.16 0.37 0.12 0.00 0.00 0.00 0.00 179.25 179.57 1nqa h ALA 258 N 1.16 0.81 -0.44 0.00 0.00 -0.98 -0.91 119.26 118.89 1nqa h ALA 258 Ca 0.23 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.83 1nqa h ALA 258 Cb 0.07 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1nqa h ALA 258 CO -0.03 0.55 0.06 -0.07 0.00 0.00 0.00 179.25 179.76 1nqa h LEU 259 N 0.91 0.71 -0.89 0.00 3.38 -0.86 -2.17 115.31 116.40 1nqa h LEU 259 Ca 0.19 -0.27 -0.06 0.00 0.09 0.00 0.00 57.88 57.83 1nqa h LEU 259 Cb 0.40 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.93 1nqa h LEU 259 CO 0.01 0.80 0.18 0.50 0.09 0.00 0.00 178.44 180.02 1nqa h LYS 260 N 0.60 1.00 -0.63 1.13 3.64 -0.59 -1.61 116.57 120.10 1nqa h LYS 260 Ca 0.13 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.28 1nqa h LYS 260 Cb 0.40 -0.15 -0.03 0.00 -0.41 0.00 0.00 32.23 32.04 1nqa h LYS 260 CO 0.01 0.87 0.31 0.00 -2.27 0.00 0.00 179.45 178.37 1nqa h ALA 261 N 1.23 0.81 -0.35 5.00 0.00 -0.93 -2.27 119.26 122.75 1nqa h ALA 261 Ca 0.21 -0.14 -0.16 0.00 0.00 0.00 0.00 54.91 54.82 1nqa h ALA 261 Cb 0.31 -0.25 -0.00 0.00 0.00 0.00 0.00 17.79 17.84 1nqa h ALA 261 CO -0.00 0.38 -0.40 0.00 0.00 0.00 0.00 179.25 179.22 1nqa h ALA 262 N 1.14 0.52 -0.01 0.00 0.00 -1.15 -1.47 119.26 118.29 1nqa h ALA 262 Ca 0.22 -0.46 -0.02 0.00 0.00 0.00 0.00 54.91 54.65 1nqa h ALA 262 Cb 0.12 -0.11 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nqa h ALA 262 CO -0.03 0.64 -0.07 0.00 0.00 0.00 0.00 179.25 179.79 1nqa h ALA 263 N 0.74 1.86 0.00 0.00 0.00 -1.13 -0.36 119.26 120.38 1nqa h ALA 263 Ca 0.05 -0.07 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1nqa h ALA 263 Cb 1.00 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nqa h ALA 263 CO 0.10 0.11 -0.79 0.39 0.00 0.00 0.00 179.25 179.06 1nqa n GLU 264 N -4.44 0.05 0.00 0.00 1.02 -0.87 -3.17 120.64 113.23 1nqa n GLU 264 Ca -0.03 -0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.11 1nqa n GLU 264 Cb 0.16 -1.52 0.00 0.00 -0.02 0.00 0.00 31.44 30.06 1nqa n GLU 264 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1nqa n GLY 265 N 1.48 1.00 0.36 0.62 0.00 -0.52 -4.77 105.19 103.35 1nqa n GLY 265 Ca 0.04 0.00 0.16 0.00 0.00 0.00 0.00 46.02 46.22 1nqa n GLY 265 CO 0.00 0.00 0.00 1.05 0.00 0.00 0.00 173.32 174.37 1nqa h GLU 266 N 0.00 0.64 -0.57 1.61 4.11 -1.78 -2.20 114.58 116.39 1nqa h GLU 266 Ca 0.00 -0.04 0.00 0.00 0.07 0.00 0.00 59.36 59.39 1nqa h GLU 266 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1nqa h GLU 266 CO 0.00 0.42 0.00 1.28 0.07 0.00 0.00 179.01 180.78 1nqa n LEU 267 N -4.80 5.62 -4.66 3.06 4.77 -0.26 -4.99 117.00 115.74 1nqa n LEU 267 Ca 0.25 -2.90 -0.47 0.00 -0.03 0.00 0.00 56.01 52.86 1nqa n LEU 267 Cb 0.67 -0.67 -0.04 0.00 -2.33 0.00 0.00 43.42 41.04 1nqa n LEU 267 CO 0.20 0.65 1.16 1.17 -1.33 0.00 0.00 177.39 179.23 1nqa n LYS 268 N 0.62 2.03 0.00 3.23 3.00 -0.83 -0.07 118.16 126.13 1nqa n LYS 268 Ca 0.28 0.73 0.00 0.00 -0.00 0.00 0.00 58.31 59.32 1nqa n LYS 268 Cb 1.17 -2.49 0.00 0.00 0.00 0.00 0.00 35.03 33.71 1nqa n LYS 268 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1nqa n GLY 269 N 3.31 3.06 0.24 3.14 0.00 -1.26 -4.74 105.19 108.93 1nqa n GLY 269 Ca 0.17 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.94 1nqa n GLY 269 CO 0.00 0.00 0.00 1.39 0.00 0.00 0.00 173.32 174.71 1nqa n ILE 270 N -0.89 1.34 -4.63 -0.61 2.08 0.17 -4.40 119.36 112.42 1nqa n ILE 270 Ca 0.00 -0.35 -0.33 0.00 0.56 0.00 0.00 62.75 62.62 1nqa n ILE 270 Cb 0.00 -1.79 -0.13 0.00 -0.75 0.00 0.00 39.64 36.96 1nqa n ILE 270 CO 0.00 0.00 0.00 -0.22 0.56 0.00 0.00 176.55 176.89 1nqa s LEU 271 N -7.25 2.94 0.34 1.39 2.96 0.89 -1.13 118.68 118.84 1nqa s LEU 271 Ca -0.34 -0.23 0.09 0.00 -0.22 0.00 0.00 54.13 53.43 1nqa s LEU 271 Cb 0.13 -1.68 -0.06 0.00 0.50 0.00 0.00 46.19 45.08 1nqa s LEU 271 CO 0.44 0.18 -0.03 0.00 -1.32 0.00 0.00 176.35 175.62 1nqa s ALA 272 N 0.27 3.11 -0.04 5.97 0.00 0.20 -4.45 121.76 126.82 1nqa s ALA 272 Ca -0.07 -2.01 0.01 0.00 0.00 0.00 0.00 51.96 49.89 1nqa s ALA 272 Cb -0.15 -0.25 0.02 0.00 0.00 0.00 0.00 23.12 22.74 1nqa s ALA 272 CO 0.04 0.07 -0.05 -0.47 0.00 0.00 0.00 175.76 175.35 1nqa s TYR 273 N -2.55 0.79 -0.03 0.00 5.04 -1.26 -1.03 117.35 118.31 1nqa s TYR 273 Ca 0.34 -0.23 0.02 0.00 -2.44 0.00 0.00 57.07 54.77 1nqa s TYR 273 Cb 0.01 -0.68 0.01 0.00 0.35 0.00 0.00 41.96 41.64 1nqa s TYR 273 CO 0.18 -0.19 -0.08 0.45 -1.34 0.00 0.00 175.55 174.57 1nqa s SER 274 N 0.85 1.13 -0.07 4.32 0.15 -0.15 -4.90 113.70 115.03 1nqa s SER 274 Ca -0.12 -0.17 0.14 0.00 0.70 0.00 0.00 55.95 56.49 1nqa s SER 274 Cb -0.14 -0.33 0.42 0.00 -1.71 0.00 0.00 66.02 64.26 1nqa s SER 274 CO 0.01 0.05 1.35 -0.62 1.20 0.00 0.00 173.24 175.22 1nqa n GLU 275 N 3.37 2.97 -3.46 5.44 1.02 -1.26 -1.13 120.64 127.59 1nqa n GLU 275 Ca -0.19 -2.41 -0.34 0.00 -0.02 0.00 0.00 57.16 54.21 1nqa n GLU 275 Cb 0.54 -1.53 -0.05 0.00 -0.02 0.00 0.00 31.44 30.38 1nqa n GLU 275 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1nqa s GLU 276 N -1.72 3.84 -1.29 3.49 0.41 -1.26 -4.79 118.70 117.38 1nqa s GLU 276 Ca 0.32 0.30 -0.12 0.00 -0.41 0.00 0.00 54.97 55.06 1nqa s GLU 276 Cb 0.22 -2.86 0.13 0.00 -1.78 0.00 0.00 34.13 29.85 1nqa s GLU 276 CO 0.14 0.45 1.80 -0.35 -0.49 0.00 0.00 175.26 176.81 1nqa n PRO 277 N 0.49 3.37 -2.77 0.39 -0.04 -1.26 -4.85 135.00 130.32 1nqa n PRO 277 Ca -0.04 -3.43 -0.20 0.00 -0.04 0.00 0.00 63.50 59.79 1nqa n PRO 277 Cb 0.52 -3.09 0.04 0.00 -0.04 0.00 0.00 33.50 30.93 1nqa n PRO 277 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 1nqa s LEU 278 N 1.29 3.31 0.30 1.53 1.43 -1.26 -5.14 118.68 120.14 1nqa s LEU 278 Ca 0.44 -0.27 0.05 0.00 -1.03 0.00 0.00 54.13 53.32 1nqa s LEU 278 Cb 0.06 -2.54 -0.06 0.00 0.03 0.00 0.00 46.19 43.68 1nqa s LEU 278 CO -0.00 -1.17 0.01 0.68 0.23 0.00 0.00 176.35 176.09 1nqa s VAL 279 N -2.70 1.40 0.30 -1.59 -7.23 -1.26 -5.05 120.40 104.27 1nqa s VAL 279 Ca 0.59 -2.05 0.06 0.00 -1.81 0.00 0.00 61.98 58.77 1nqa s VAL 279 Cb -0.09 -2.64 0.30 0.00 0.56 0.00 0.00 36.38 34.51 1nqa s VAL 279 CO 0.38 -0.15 1.70 0.77 -0.31 0.00 0.00 175.10 177.50 1nqa h SER 280 N 2.19 0.44 -0.10 4.85 4.64 -1.96 -0.74 113.55 122.86 1nqa h SER 280 Ca -0.40 0.15 0.02 0.00 -0.47 0.00 0.00 61.79 61.09 1nqa h SER 280 Cb 1.24 0.10 -0.00 0.00 -0.31 0.00 0.00 62.40 63.43 1nqa h SER 280 CO 0.69 0.02 0.07 0.03 -0.87 0.00 0.00 176.83 176.78 1nqa h ARG 281 N 0.45 0.05 0.00 4.77 2.47 -1.97 -1.69 114.38 118.45 1nqa h ARG 281 Ca 0.59 -0.00 -0.01 0.00 -1.26 0.00 0.00 59.98 59.30 1nqa h ARG 281 Cb 1.14 -0.01 -0.00 0.00 -1.65 0.00 0.00 29.97 29.44 1nqa h ARG 281 CO -0.52 0.03 -0.05 -0.44 0.56 0.00 0.00 179.97 179.56 1nqa h ASP 282 N 0.05 0.00 -0.25 7.04 3.32 -1.54 -2.63 116.42 122.42 1nqa h ASP 282 Ca 0.05 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.10 1nqa h ASP 282 Cb 0.12 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.67 1nqa h ASP 282 CO -0.00 0.05 0.00 -1.22 -1.72 0.00 0.00 179.24 176.34 1nqa n TYR 283 N -3.27 0.31 -1.94 4.55 4.01 -0.64 -4.89 117.16 115.29 1nqa n TYR 283 Ca -0.01 -0.16 -0.42 0.00 -0.16 0.00 0.00 57.90 57.15 1nqa n TYR 283 Cb 0.23 0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.23 1nqa n TYR 283 CO 0.00 0.00 0.00 1.21 -0.46 0.00 0.00 176.86 177.61 1nqa s ASN 284 N -1.56 6.62 0.00 7.72 2.47 -0.99 -1.51 114.94 127.69 1nqa s ASN 284 Ca 0.35 2.37 0.00 0.00 0.42 0.00 0.00 52.86 55.99 1nqa s ASN 284 Cb 0.20 -2.54 0.00 0.00 -1.45 0.00 0.00 41.25 37.46 1nqa s ASN 284 CO 0.29 -0.93 0.00 0.61 -3.72 0.00 0.00 177.10 173.35 1nqa n GLY 285 N 4.13 0.03 3.72 1.21 0.00 -1.26 -5.05 105.19 107.98 1nqa n GLY 285 Ca 0.17 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.77 1nqa n GLY 285 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1nqa s SER 286 N -2.05 6.39 0.04 1.61 0.15 -0.57 -4.91 113.70 114.36 1nqa s SER 286 Ca 0.00 2.87 0.24 0.00 0.70 0.00 0.00 55.95 59.75 1nqa s SER 286 Cb 0.00 -2.60 0.22 0.00 -1.71 0.00 0.00 66.02 61.93 1nqa s SER 286 CO 0.00 -0.96 1.19 0.35 1.20 0.00 0.00 173.24 175.02 1nqa n THR 287 N 3.77 0.14 -1.49 6.45 -2.24 -1.26 -3.13 114.28 116.51 1nqa n THR 287 Ca 0.15 -0.15 -0.29 0.00 -2.27 0.00 0.00 64.05 61.48 1nqa n THR 287 Cb 0.36 0.23 0.12 0.00 -2.10 0.00 0.00 70.33 68.93 1nqa n THR 287 CO 0.00 0.00 0.00 0.68 -0.57 0.00 0.00 175.07 175.18 1nqa s VAL 288 N -3.11 2.60 -0.13 2.28 -7.23 -1.26 -4.42 120.40 109.11 1nqa s VAL 288 Ca 0.07 0.19 0.17 0.00 -1.81 0.00 0.00 61.98 60.60 1nqa s VAL 288 Cb 0.15 -2.90 -0.08 0.00 0.56 0.00 0.00 36.38 34.11 1nqa s VAL 288 CO 0.76 -0.25 0.98 0.28 -0.31 0.00 0.00 175.10 176.56 1nqa h SER 289 N -1.33 0.00 -2.90 4.85 0.02 -1.33 -3.40 113.55 109.47 1nqa h SER 289 Ca -0.49 0.00 -0.00 0.00 -0.84 0.00 0.00 61.79 60.46 1nqa h SER 289 Cb 1.30 0.00 -0.22 0.00 0.14 0.00 0.00 62.40 63.61 1nqa h SER 289 CO 0.60 0.53 -0.07 -0.55 -1.14 0.00 0.00 176.83 176.20 1nqa s SER 290 N -5.92 -0.87 -0.19 3.07 0.15 -0.85 -3.89 113.70 105.20 1nqa s SER 290 Ca -0.01 1.39 0.01 0.00 0.70 0.00 0.00 55.95 58.04 1nqa s SER 290 Cb 0.08 1.39 0.04 0.00 -1.71 0.00 0.00 66.02 65.82 1nqa s SER 290 CO 0.80 -0.23 -0.12 -0.89 1.20 0.00 0.00 173.24 174.00 1nqa s THR 291 N 1.79 1.68 0.09 6.45 2.01 -0.44 0.62 115.64 127.84 1nqa s THR 291 Ca -0.09 -0.96 -0.31 0.00 0.31 0.00 0.00 61.69 60.64 1nqa s THR 291 Cb -0.07 -1.70 -0.07 0.00 0.01 0.00 0.00 72.50 70.66 1nqa s THR 291 CO -0.18 0.25 1.42 -0.63 -0.69 0.00 0.00 174.62 174.78 1nqa s ILE 292 N 1.39 3.35 -1.04 1.82 -1.09 -0.20 -0.30 121.20 125.15 1nqa s ILE 292 Ca 0.00 0.92 -0.15 0.00 -2.23 0.00 0.00 60.65 59.20 1nqa s ILE 292 Cb -0.15 -3.59 0.18 0.00 -1.58 0.00 0.00 42.46 37.32 1nqa s ILE 292 CO -0.09 0.05 1.16 -0.62 -1.23 0.00 0.00 174.94 174.21 1nqa s ASP 293 N 1.38 6.92 0.40 3.58 -1.08 0.53 -0.98 116.67 127.42 1nqa s ASP 293 Ca 0.65 -2.74 0.16 0.00 -0.52 0.00 0.00 52.55 50.10 1nqa s ASP 293 Cb -0.36 -2.33 1.02 0.00 -1.46 0.00 0.00 42.92 39.79 1nqa s ASP 293 CO 0.30 -0.74 1.83 0.00 0.52 0.00 0.00 175.17 177.08 1nqa h ALA 294 N 7.72 2.12 0.00 3.66 0.00 -1.40 -0.89 119.26 130.47 1nqa h ALA 294 Ca 0.21 0.03 -0.01 0.00 0.00 0.00 0.00 54.91 55.14 1nqa h ALA 294 Cb 0.95 -0.03 -0.00 0.00 0.00 0.00 0.00 17.79 18.71 1nqa h ALA 294 CO 1.07 -0.43 -0.05 -0.07 0.00 0.00 0.00 179.25 179.78 1nqa h LEU 295 N 0.47 0.00 -0.01 0.00 3.38 -1.87 -2.55 115.31 114.73 1nqa h LEU 295 Ca 0.50 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.47 1nqa h LEU 295 Cb 1.16 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.91 1nqa h LEU 295 CO -0.22 0.05 -0.55 -1.20 0.09 0.00 0.00 178.44 176.61 1nqa n SER 296 N -3.30 0.57 -4.71 -0.43 7.64 -0.34 -4.92 113.62 108.11 1nqa n SER 296 Ca -0.01 -0.34 -0.42 0.00 1.01 0.00 0.00 58.87 59.10 1nqa n SER 296 Cb 0.20 0.32 -0.03 0.00 -1.01 0.00 0.00 64.21 63.70 1nqa n SER 296 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 1nqa n THR 297 N -1.48 0.05 -4.16 0.44 -1.04 -0.96 -4.76 114.28 102.37 1nqa n THR 297 Ca 0.06 -0.01 -0.10 0.00 -2.04 0.00 0.00 64.05 61.96 1nqa n THR 297 Cb 0.34 -1.97 -0.10 0.00 -1.82 0.00 0.00 70.33 66.77 1nqa n THR 297 CO 0.00 0.00 0.00 -0.04 -0.64 0.00 0.00 175.07 174.39 1nqa s MET 298 N 1.36 0.80 -0.04 -2.82 -1.94 -0.76 -4.94 119.30 110.95 1nqa s MET 298 Ca 0.76 -1.31 -0.04 0.00 -1.71 0.00 0.00 55.69 53.39 1nqa s MET 298 Cb -0.51 -0.15 0.01 0.00 2.01 0.00 0.00 34.83 36.19 1nqa s MET 298 CO 0.33 -0.03 0.11 0.08 -0.01 0.00 0.00 175.02 175.51 1nqa s VAL 299 N -3.64 0.01 -0.04 -6.03 1.01 -1.26 -0.73 120.40 109.72 1nqa s VAL 299 Ca 0.11 -0.05 0.02 0.00 0.00 0.00 0.00 61.98 62.06 1nqa s VAL 299 Cb 0.05 -0.18 0.01 0.00 0.00 0.00 0.00 36.38 36.26 1nqa s VAL 299 CO -0.05 -0.03 -0.09 -0.51 0.00 0.00 0.00 175.10 174.42 1nqa s ILE 300 N -0.04 0.82 -1.44 2.22 1.10 0.27 -4.80 121.20 119.34 1nqa s ILE 300 Ca -0.01 -0.33 -0.11 0.00 -0.51 0.00 0.00 60.65 59.69 1nqa s ILE 300 Cb -0.01 -0.76 0.07 0.00 0.15 0.00 0.00 42.46 41.91 1nqa s ILE 300 CO 0.00 0.27 0.69 -0.67 -2.11 0.00 0.00 174.94 173.13 1nqa n ASP 301 N 3.63 -4.47 0.00 4.50 2.03 -1.26 -2.78 116.55 118.21 1nqa n ASP 301 Ca -0.22 -0.54 0.00 0.00 0.52 0.00 0.00 54.79 54.56 1nqa n ASP 301 Cb 0.53 -3.63 0.00 0.00 -0.72 0.00 0.00 41.12 37.30 1nqa n ASP 301 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1nqa n GLY 302 N -1.42 0.84 0.10 0.27 0.00 -1.26 -4.58 105.19 99.15 1nqa n GLY 302 Ca -0.01 0.00 0.05 0.00 0.00 0.00 0.00 46.02 46.06 1nqa n GLY 302 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1nqa n LYS 303 N 0.00 3.06 -4.17 1.61 5.02 -1.21 -1.52 118.16 120.94 1nqa n LYS 303 Ca 0.00 -0.26 -0.34 0.00 -2.02 0.00 0.00 58.31 55.69 1nqa n LYS 303 Cb 0.00 -1.02 -0.13 0.00 -0.02 0.00 0.00 35.03 33.87 1nqa n LYS 303 CO 0.00 0.00 0.00 1.41 -0.52 0.00 0.00 177.40 178.29 1nqa s MET 304 N -1.69 3.61 0.16 1.97 1.75 -1.12 0.02 119.30 123.99 1nqa s MET 304 Ca 0.06 -0.53 0.10 0.00 -1.25 0.00 0.00 55.69 54.07 1nqa s MET 304 Cb 0.08 -3.01 -0.04 0.00 2.84 0.00 0.00 34.83 34.69 1nqa s MET 304 CO 0.34 0.07 -0.23 0.54 -0.65 0.00 0.00 175.02 175.08 1nqa s VAL 305 N 0.84 2.14 -0.13 10.11 0.11 -0.32 -0.56 120.40 132.58 1nqa s VAL 305 Ca -0.00 -1.86 0.01 0.00 -2.93 0.00 0.00 61.98 57.20 1nqa s VAL 305 Cb -0.14 -1.96 0.02 0.00 -1.53 0.00 0.00 36.38 32.77 1nqa s VAL 305 CO 0.02 -0.09 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.80 1nqa s LYS 306 N -2.41 2.33 -0.09 1.54 2.20 0.09 -0.87 119.74 122.53 1nqa s LYS 306 Ca 0.16 -0.59 0.03 0.00 -0.36 0.00 0.00 55.97 55.21 1nqa s LYS 306 Cb -0.08 -2.04 0.01 0.00 -1.51 0.00 0.00 37.83 34.21 1nqa s LYS 306 CO 0.07 -0.13 -0.18 0.08 -0.36 0.00 0.00 175.35 174.83 1nqa s VAL 307 N 1.18 1.66 -0.13 4.02 1.01 -0.04 -1.83 120.40 126.26 1nqa s VAL 307 Ca -0.02 -0.77 -0.01 0.00 0.00 0.00 0.00 61.98 61.18 1nqa s VAL 307 Cb -0.14 -1.46 -0.02 0.00 0.00 0.00 0.00 36.38 34.76 1nqa s VAL 307 CO -0.06 0.47 -0.10 -0.69 0.00 0.00 0.00 175.10 174.72 1nqa s VAL 308 N 0.58 3.31 -0.01 2.92 1.01 -1.26 -1.26 120.40 125.69 1nqa s VAL 308 Ca -0.15 -0.57 0.00 0.00 0.00 0.00 0.00 61.98 61.26 1nqa s VAL 308 Cb -0.17 -2.40 0.01 0.00 0.00 0.00 0.00 36.38 33.82 1nqa s VAL 308 CO 0.05 0.52 -0.00 -0.55 0.00 0.00 0.00 175.10 175.12 1nqa s SER 309 N 0.29 0.13 0.30 3.32 0.15 -0.11 -0.35 113.70 117.44 1nqa s SER 309 Ca -0.08 -0.01 -0.07 0.00 0.70 0.00 0.00 55.95 56.49 1nqa s SER 309 Cb -0.15 -0.04 -0.06 0.00 -1.71 0.00 0.00 66.02 64.06 1nqa s SER 309 CO 0.05 -0.02 0.61 0.26 1.20 0.00 0.00 173.24 175.33 1nqa s TRP 310 N 0.27 3.46 -0.26 3.44 0.52 0.60 0.68 118.94 127.64 1nqa s TRP 310 Ca -0.02 0.79 -0.16 0.00 0.02 0.00 0.00 56.10 56.73 1nqa s TRP 310 Cb -0.04 -2.22 0.08 0.00 -1.15 0.00 0.00 33.47 30.14 1nqa s TRP 310 CO -0.01 0.12 0.65 1.52 0.02 0.00 0.00 176.95 179.26 1nqa s TYR 311 N -2.10 -1.00 -0.71 -1.98 1.13 -0.26 -1.33 117.35 111.10 1nqa s TYR 311 Ca 0.46 2.02 -0.26 0.00 -1.41 0.00 0.00 57.07 57.88 1nqa s TYR 311 Cb -0.11 0.57 0.04 0.00 -1.10 0.00 0.00 41.96 41.37 1nqa s TYR 311 CO 0.28 -0.50 1.19 0.34 -2.51 0.00 0.00 175.55 174.35 1nqa s ASP 312 N 1.55 6.17 0.16 -0.18 -1.08 -1.26 -0.64 116.67 121.38 1nqa s ASP 312 Ca -0.09 -0.59 0.09 0.00 -0.52 0.00 0.00 52.55 51.44 1nqa s ASP 312 Cb -0.05 -2.52 0.51 0.00 -1.46 0.00 0.00 42.92 39.40 1nqa s ASP 312 CO -0.18 -1.72 1.25 -0.46 0.52 0.00 0.00 175.17 174.58 1nqa n ASN 313 N 8.88 0.24 -0.09 -0.34 6.94 -1.26 -1.34 115.26 128.30 1nqa n ASN 313 Ca 0.01 0.58 -0.11 0.00 -0.02 0.00 0.00 54.58 55.04 1nqa n ASN 313 Cb 0.48 -0.60 -0.04 0.00 -2.36 0.00 0.00 39.78 37.27 1nqa n ASN 313 CO 0.00 0.00 0.00 -0.62 -1.03 0.00 0.00 177.26 175.61 1nqa n GLU 314 N -1.82 0.51 -0.04 -3.83 1.02 -1.26 -4.37 120.64 110.85 1nqa n GLU 314 Ca -0.01 0.21 -0.12 0.00 -0.02 0.00 0.00 57.16 57.22 1nqa n GLU 314 Cb 0.08 -1.39 -0.07 0.00 -0.02 0.00 0.00 31.44 30.04 1nqa n GLU 314 CO 0.00 0.00 0.00 1.15 1.18 0.00 0.00 177.13 179.46 1nqa h THR 315 N -0.95 1.25 0.57 2.62 2.02 -1.81 -1.60 112.91 115.01 1nqa h THR 315 Ca -0.09 -0.83 -0.03 0.00 0.77 0.00 0.00 66.41 66.24 1nqa h THR 315 Cb 1.03 1.56 0.01 0.00 -1.74 0.00 0.00 68.15 69.00 1nqa h THR 315 CO -0.05 0.24 -0.27 1.23 0.37 0.00 0.00 175.52 177.04 1nqa h GLY 316 N -0.04 -0.79 0.50 2.16 0.00 -1.15 -1.65 103.07 102.10 1nqa h GLY 316 Ca 0.04 0.29 0.05 0.00 0.00 0.00 0.00 47.33 47.71 1nqa h GLY 316 CO 0.01 -0.29 -0.05 -1.82 0.00 0.00 0.00 176.54 174.39 1nqa h TYR 317 N -0.76 -0.10 -0.97 5.60 3.20 -1.67 -1.36 116.97 120.90 1nqa h TYR 317 Ca -0.08 0.02 0.11 0.00 3.14 0.00 0.00 58.73 61.92 1nqa h TYR 317 Cb 0.58 0.09 -0.08 0.00 1.54 0.00 0.00 36.73 38.86 1nqa h TYR 317 CO -0.03 -0.09 0.62 0.77 -1.64 0.00 0.00 178.16 177.78 1nqa h SER 318 N 0.02 0.90 -0.31 -2.11 0.02 -1.20 0.63 113.55 111.51 1nqa h SER 318 Ca 0.13 0.03 -0.10 0.00 -0.84 0.00 0.00 61.79 61.02 1nqa h SER 318 Cb 0.19 -0.15 -0.02 0.00 0.14 0.00 0.00 62.40 62.56 1nqa h SER 318 CO -0.26 0.51 -0.14 0.45 -1.14 0.00 0.00 176.83 176.25 1nqa h HIS 319 N 0.98 0.83 -0.56 3.45 3.86 -0.41 -2.35 115.15 120.95 1nqa h HIS 319 Ca 0.46 -0.16 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 1nqa h HIS 319 Cb 0.43 -0.21 -0.02 0.00 1.06 0.00 0.00 27.41 28.67 1nqa h HIS 319 CO -0.00 0.84 -0.03 0.00 0.86 0.00 0.00 177.93 179.60 1nqa h ARG 320 N 0.67 0.98 -0.06 2.45 2.47 0.07 0.94 114.38 121.90 1nqa h ARG 320 Ca 0.11 -0.31 0.02 0.00 -1.26 0.00 0.00 59.98 58.54 1nqa h ARG 320 Cb 0.62 -0.09 -0.03 0.00 -1.65 0.00 0.00 29.97 28.82 1nqa h ARG 320 CO 0.04 0.98 -0.08 0.28 0.56 0.00 0.00 179.97 181.75 1nqa h VAL 321 N 0.90 0.77 -0.66 2.04 2.07 -0.66 0.39 116.25 121.09 1nqa h VAL 321 Ca 0.16 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.65 1nqa h VAL 321 Cb 0.56 0.77 -0.03 0.00 -1.52 0.00 0.00 31.29 31.07 1nqa h VAL 321 CO 0.03 0.00 0.31 0.58 0.02 0.00 0.00 177.57 178.51 1nqa h VAL 322 N -0.12 1.23 -0.65 2.57 2.07 -1.24 -0.43 116.25 119.68 1nqa h VAL 322 Ca 0.05 -0.65 0.04 0.00 0.82 0.00 0.00 66.70 66.97 1nqa h VAL 322 Cb 0.19 0.43 -0.05 0.00 -1.52 0.00 0.00 31.29 30.35 1nqa h VAL 322 CO -0.13 0.27 0.38 0.44 0.02 0.00 0.00 177.57 178.54 1nqa h ASP 323 N 0.92 0.59 -0.46 0.57 3.32 -0.12 -0.99 116.42 120.25 1nqa h ASP 323 Ca 0.23 0.02 -0.06 0.00 0.02 0.00 0.00 57.03 57.23 1nqa h ASP 323 Cb 0.13 -0.10 -0.02 0.00 0.22 0.00 0.00 39.33 39.56 1nqa h ASP 323 CO -0.03 0.39 0.06 0.25 -1.72 0.00 0.00 179.24 178.20 1nqa h LEU 324 N 0.72 0.79 -0.79 1.55 5.85 0.30 -1.08 115.31 122.65 1nqa h LEU 324 Ca 0.28 -0.17 -0.08 0.00 0.84 0.00 0.00 57.88 58.74 1nqa h LEU 324 Cb 0.11 -0.21 -0.02 0.00 0.37 0.00 0.00 40.66 40.91 1nqa h LEU 324 CO -0.15 0.82 0.01 0.00 -0.34 0.00 0.00 178.44 178.78 1nqa h ALA 325 N 1.28 0.99 -0.26 1.25 0.00 -0.28 0.42 119.26 122.66 1nqa h ALA 325 Ca 0.16 -0.28 -0.19 0.00 0.00 0.00 0.00 54.91 54.60 1nqa h ALA 325 Cb 0.39 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.97 1nqa h ALA 325 CO 0.01 0.62 -0.58 0.00 0.00 0.00 0.00 179.25 179.30 1nqa h ALA 326 N 1.15 0.48 -0.00 0.00 0.00 -0.89 -2.06 119.26 117.92 1nqa h ALA 326 Ca 0.16 -0.53 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 1nqa h ALA 326 Cb 0.49 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.21 1nqa h ALA 326 CO 0.02 0.68 0.00 -0.92 0.00 0.00 0.00 179.25 179.04 1nqa h TYR 327 N 0.63 0.01 -0.76 0.00 3.20 -0.99 -1.08 116.97 117.98 1nqa h TYR 327 Ca 0.01 -0.00 0.06 0.00 3.14 0.00 0.00 58.73 61.94 1nqa h TYR 327 Cb 1.18 -0.00 -0.06 0.00 1.54 0.00 0.00 36.73 39.39 1nqa h TYR 327 CO 0.07 0.25 0.45 0.82 -1.64 0.00 0.00 178.16 178.11 1nqa h ILE 328 N -0.24 1.00 -0.46 1.81 2.04 -0.95 -2.34 117.51 118.37 1nqa h ILE 328 Ca 0.00 -0.28 -0.04 0.00 1.00 0.00 0.00 64.86 65.54 1nqa h ILE 328 Cb 0.25 0.11 -0.02 0.00 -0.74 0.00 0.00 36.82 36.41 1nqa h ILE 328 CO 0.00 0.15 0.13 0.00 0.00 0.00 0.00 178.15 178.43 1nqa h ALA 329 N 1.38 0.60 0.00 1.87 0.00 -1.24 -2.42 119.26 119.45 1nqa h ALA 329 Ca 0.34 -0.18 0.00 0.00 0.00 0.00 0.00 54.91 55.06 1nqa h ALA 329 Cb 0.19 -0.18 0.00 0.00 0.00 0.00 0.00 17.79 17.80 1nqa h ALA 329 CO -0.18 0.26 0.06 0.66 0.00 0.00 0.00 179.25 180.05 1nqa h SER 330 N 0.60 0.00 0.09 0.00 4.64 -0.65 0.21 113.55 118.45 1nqa h SER 330 Ca 0.15 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.47 1nqa h SER 330 Cb 0.28 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.37 1nqa h SER 330 CO -0.00 0.00 -0.10 0.29 -0.87 0.00 0.00 176.83 176.14 1nqa n LYS 331 N -2.63 1.33 -0.02 4.77 4.76 -0.91 -5.03 118.16 120.44 1nqa n LYS 331 Ca -0.02 -0.78 0.00 0.00 -2.87 0.00 0.00 58.31 54.64 1nqa n LYS 331 Cb 0.11 -1.48 0.00 0.00 -1.84 0.00 0.00 35.03 31.82 1nqa n LYS 331 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1nqa n GLY 332 N 1.24 0.39 0.00 0.72 0.00 0.06 -4.87 105.19 102.73 1nqa n GLY 332 Ca 0.16 -1.26 0.00 0.00 0.00 0.00 0.00 46.02 44.92 1nqa n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36