#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 3.16 -0.29 0.00 0.11 -0.46 -4.75 120.40 118.16 1nqa s VAL 1 Ca 0.00 1.14 -0.24 0.00 -2.93 0.00 0.00 61.98 59.95 1nqa s VAL 1 Cb 0.00 -3.73 -0.00 0.00 -1.53 0.00 0.00 36.38 31.12 1nqa s VAL 1 CO 0.00 0.26 0.80 -0.54 -3.33 0.00 0.00 175.10 172.29 1nqa s LYS 2 N -1.44 4.01 0.04 1.54 1.02 -1.26 -0.90 119.74 122.75 1nqa s LYS 2 Ca 0.47 0.67 0.03 0.00 0.02 0.00 0.00 55.97 57.17 1nqa s LYS 2 Cb -0.35 -3.71 -0.04 0.00 -0.52 0.00 0.00 37.83 33.21 1nqa s LYS 2 CO 0.46 -0.65 -0.01 0.08 -0.92 0.00 0.00 175.35 174.30 1nqa s VAL 3 N 2.95 3.99 -0.01 3.17 1.01 0.14 -1.58 120.40 130.07 1nqa s VAL 3 Ca 0.33 -0.80 0.07 0.00 0.00 0.00 0.00 61.98 61.59 1nqa s VAL 3 Cb -0.14 -2.82 -0.02 0.00 0.00 0.00 0.00 36.38 33.40 1nqa s VAL 3 CO 0.12 0.28 -0.22 -0.83 0.00 0.00 0.00 175.10 174.44 1nqa s GLY 4 N -1.83 1.09 -0.22 4.51 0.00 0.57 -1.60 107.32 109.84 1nqa s GLY 4 Ca 0.21 -0.97 -0.01 0.00 0.00 0.00 0.00 44.72 43.96 1nqa s GLY 4 CO 0.13 -0.82 -0.11 -0.42 0.00 0.00 0.00 173.10 171.87 1nqa s ILE 5 N -0.56 2.59 -0.39 0.90 1.01 -0.37 0.38 121.20 124.76 1nqa s ILE 5 Ca 0.08 -1.00 -0.13 0.00 0.00 0.00 0.00 60.65 59.61 1nqa s ILE 5 Cb -0.09 -2.25 0.02 0.00 0.01 0.00 0.00 42.46 40.16 1nqa s ILE 5 CO -0.00 0.32 0.25 0.21 0.00 0.00 0.00 174.94 175.72 1nqa s ASN 6 N 1.31 5.95 0.00 3.58 2.47 -0.04 -0.18 114.94 128.02 1nqa s ASN 6 Ca 0.01 -0.88 0.00 0.00 0.42 0.00 0.00 52.86 52.42 1nqa s ASN 6 Cb -0.15 -2.10 0.00 0.00 -1.45 0.00 0.00 41.25 37.54 1nqa s ASN 6 CO -0.07 -0.40 0.00 0.61 -3.72 0.00 0.00 177.10 173.52 1nqa n GLY 7 N 5.09 0.37 2.21 1.21 0.00 0.84 -0.74 105.19 114.17 1nqa n GLY 7 Ca -0.12 -0.66 -0.20 0.00 0.00 0.00 0.00 46.02 45.05 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 -0.01 0.79 -0.14 1.61 7.35 -1.15 -3.88 117.46 122.03 1nqa n PHE 8 Ca 0.00 -1.79 0.00 0.00 -0.76 0.00 0.00 57.45 54.90 1nqa n PHE 8 Cb 0.00 -1.58 0.00 0.00 0.35 0.00 0.00 39.48 38.25 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 1.95 1.41 0.18 7.13 0.00 -1.26 -4.27 105.19 110.33 1nqa n GLY 9 Ca 0.48 -1.59 -0.08 0.00 0.00 0.00 0.00 46.02 44.82 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 0.56 0.26 1.61 2.47 -1.92 0.83 114.38 118.19 1nqa h ARG 10 Ca 0.00 -0.05 -0.34 0.00 -1.26 0.00 0.00 59.98 58.33 1nqa h ARG 10 Cb 0.00 -0.12 0.04 0.00 -1.65 0.00 0.00 29.97 28.24 1nqa h ARG 10 CO 0.00 0.42 -1.49 0.82 0.56 0.00 0.00 179.97 180.28 1nqa h ILE 11 N 0.54 1.28 -0.39 2.04 1.08 -1.89 -2.82 117.51 117.35 1nqa h ILE 11 Ca 0.15 -2.70 0.04 0.00 -0.39 0.00 0.00 64.86 61.96 1nqa h ILE 11 Cb 0.00 3.05 -0.04 0.00 -3.07 0.00 0.00 36.82 36.77 1nqa h ILE 11 CO -0.03 0.81 0.17 1.23 -0.69 0.00 0.00 178.15 179.64 1nqa h GLY 12 N 0.15 0.52 1.39 5.37 0.00 -1.65 0.11 103.07 108.96 1nqa h GLY 12 Ca -0.26 -0.11 -0.18 0.00 0.00 0.00 0.00 47.33 46.78 1nqa h GLY 12 CO 0.28 0.06 -0.63 3.21 0.00 0.00 0.00 176.54 179.46 1nqa h ARG 13 N 0.34 0.63 0.00 4.80 3.08 -0.95 -2.40 114.38 119.88 1nqa h ARG 13 Ca 0.17 -0.44 -0.03 0.00 0.07 0.00 0.00 59.98 59.76 1nqa h ARG 13 Cb 0.12 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.23 1nqa h ARG 13 CO -0.15 1.06 -0.13 -0.91 -1.07 0.00 0.00 179.97 178.77 1nqa h ASN 14 N 0.46 0.00 0.32 7.04 2.35 -1.30 -1.28 115.58 123.17 1nqa h ASN 14 Ca -0.01 0.00 -0.21 0.00 -0.55 0.00 0.00 56.30 55.53 1nqa h ASN 14 Cb 1.21 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 39.58 1nqa h ASN 14 CO 0.12 0.13 -0.85 0.58 -1.65 0.00 0.00 177.43 175.76 1nqa h VAL 15 N 0.00 1.40 -0.54 2.81 2.07 -0.66 -2.11 116.25 119.22 1nqa h VAL 15 Ca -0.00 -2.33 -0.05 0.00 0.82 0.00 0.00 66.70 65.14 1nqa h VAL 15 Cb 0.77 2.29 -0.02 0.00 -1.52 0.00 0.00 31.29 32.80 1nqa h VAL 15 CO 0.02 0.70 0.14 0.15 0.02 0.00 0.00 177.57 178.59 1nqa h PHE 16 N 0.24 0.90 -0.60 1.57 3.04 -0.87 0.16 116.94 121.38 1nqa h PHE 16 Ca -0.06 -0.10 -0.01 0.00 3.98 0.00 0.00 57.97 61.78 1nqa h PHE 16 Cb 1.46 -0.25 -0.03 0.00 2.56 0.00 0.00 35.95 39.68 1nqa h PHE 16 CO 0.05 0.78 0.35 0.00 -2.02 0.00 0.00 178.31 177.47 1nqa h ARG 17 N 0.75 0.82 -0.58 1.11 3.08 -1.17 -1.60 114.38 116.79 1nqa h ARG 17 Ca 0.17 -0.08 -0.06 0.00 0.07 0.00 0.00 59.98 60.08 1nqa h ARG 17 Cb 0.33 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.19 1nqa h ARG 17 CO 0.00 0.61 0.13 0.00 -1.07 0.00 0.00 179.97 179.64 1nqa h ALA 18 N 1.17 0.77 -0.15 0.04 0.00 -1.01 -2.74 119.26 117.34 1nqa h ALA 18 Ca 0.21 -0.23 -0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nqa h ALA 18 Cb 0.01 -0.22 -0.01 0.00 0.00 0.00 0.00 17.79 17.57 1nqa h ALA 18 CO -0.04 0.49 0.01 0.00 0.00 0.00 0.00 179.25 179.71 1nqa h ALA 19 N 1.03 1.75 0.00 0.00 0.00 -0.29 -1.98 119.26 119.76 1nqa h ALA 19 Ca 0.18 -0.09 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 1nqa h ALA 19 Cb 0.36 -0.07 -0.00 0.00 0.00 0.00 0.00 17.79 18.08 1nqa h ALA 19 CO 0.00 0.20 -0.02 -0.07 0.00 0.00 0.00 179.25 179.36 1nqa h LEU 20 N 0.21 0.00 -1.38 0.00 3.38 -0.98 -0.98 115.31 115.57 1nqa h LEU 20 Ca 0.05 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.02 1nqa h LEU 20 Cb 0.13 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.88 1nqa h LEU 20 CO 0.00 0.02 -0.22 0.29 0.09 0.00 0.00 178.44 178.62 1nqa n LYS 21 N -3.34 1.71 -3.89 1.13 5.02 -0.75 -4.85 118.16 113.19 1nqa n LYS 21 Ca -0.02 -1.38 -0.35 0.00 -2.02 0.00 0.00 58.31 54.53 1nqa n LYS 21 Cb 0.14 -1.47 -0.14 0.00 -0.02 0.00 0.00 35.03 33.54 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 -2.24 4.45 0.29 4.39 3.84 -0.37 -4.99 114.94 120.31 1nqa s ASN 22 Ca 0.24 -0.57 0.11 0.00 0.21 0.00 0.00 52.86 52.86 1nqa s ASN 22 Cb 0.19 -1.75 0.43 0.00 -0.55 0.00 0.00 41.25 39.57 1nqa s ASN 22 CO 0.43 -0.08 1.65 1.55 -2.79 0.00 0.00 177.10 177.86 1nqa h PRO 23 N 8.11 0.00 0.00 0.43 0.13 -1.89 -3.09 132.00 135.69 1nqa h PRO 23 Ca -0.38 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.75 1nqa h PRO 23 Cb 1.14 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.27 1nqa h PRO 23 CO 0.60 0.57 0.00 -0.25 -0.23 0.00 0.00 178.00 178.68 1nqa n ASP 24 N -3.81 0.00 -4.33 1.44 8.00 -1.26 -1.17 116.55 115.42 1nqa n ASP 24 Ca -0.01 0.44 -0.32 0.00 0.71 0.00 0.00 54.79 55.61 1nqa n ASP 24 Cb 0.58 -0.47 -0.15 0.00 -0.02 0.00 0.00 41.12 41.06 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 -2.94 2.45 -0.23 0.53 -1.09 -1.17 -1.35 121.20 117.39 1nqa s ILE 25 Ca 0.10 -0.92 -0.02 0.00 -2.23 0.00 0.00 60.65 57.58 1nqa s ILE 25 Cb 0.12 -1.94 0.07 0.00 -1.58 0.00 0.00 42.46 39.14 1nqa s ILE 25 CO 0.33 0.57 0.06 -0.70 -1.23 0.00 0.00 174.94 173.97 1nqa s GLU 26 N -0.19 0.64 -0.25 2.79 2.12 -0.08 -4.46 118.70 119.27 1nqa s GLU 26 Ca -0.02 -0.61 -0.27 0.00 0.36 0.00 0.00 54.97 54.43 1nqa s GLU 26 Cb -0.13 -1.99 0.01 0.00 0.26 0.00 0.00 34.13 32.27 1nqa s GLU 26 CO 0.03 -0.77 0.96 0.08 -0.54 0.00 0.00 175.26 175.03 1nqa s VAL 27 N 1.81 4.72 -0.30 3.70 1.01 -1.26 0.25 120.40 130.33 1nqa s VAL 27 Ca 0.03 1.81 0.11 0.00 0.00 0.00 0.00 61.98 63.93 1nqa s VAL 27 Cb -0.17 -4.25 -0.14 0.00 0.00 0.00 0.00 36.38 31.82 1nqa s VAL 27 CO -0.15 -0.18 0.36 1.33 0.00 0.00 0.00 175.10 176.46 1nqa n VAL 28 N 5.37 0.00 -3.63 2.92 0.24 -0.63 -4.84 118.33 117.76 1nqa n VAL 28 Ca 0.10 -0.25 -0.16 0.00 -2.04 0.00 0.00 64.34 61.99 1nqa n VAL 28 Cb 0.47 0.68 -0.07 0.00 -1.47 0.00 0.00 33.84 33.45 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 -2.33 -1.38 0.06 2.33 0.00 -1.25 -0.88 121.76 118.31 1nqa s ALA 29 Ca 0.01 1.08 0.03 0.00 0.00 0.00 0.00 51.96 53.07 1nqa s ALA 29 Cb 0.08 -0.18 -0.03 0.00 0.00 0.00 0.00 23.12 22.98 1nqa s ALA 29 CO 0.45 -0.31 -0.09 0.14 0.00 0.00 0.00 175.76 175.94 1nqa s VAL 30 N -0.90 0.72 0.04 0.00 -7.23 -0.34 -1.23 120.40 111.46 1nqa s VAL 30 Ca -0.09 -1.24 0.05 0.00 -1.81 0.00 0.00 61.98 58.89 1nqa s VAL 30 Cb -0.02 -0.85 -0.02 0.00 0.56 0.00 0.00 36.38 36.04 1nqa s VAL 30 CO 0.06 -0.39 -0.14 0.21 -0.31 0.00 0.00 175.10 174.52 1nqa s ASN 31 N -1.79 1.71 0.00 4.85 2.47 0.74 -0.78 114.94 122.15 1nqa s ASN 31 Ca -0.05 -0.45 0.00 0.00 0.42 0.00 0.00 52.86 52.78 1nqa s ASN 31 Cb -0.08 -0.12 0.00 0.00 -1.45 0.00 0.00 41.25 39.60 1nqa s ASN 31 CO 0.00 0.05 0.00 -0.67 -3.72 0.00 0.00 177.10 172.76 1nqa n ASP 32 N 1.95 0.00 -0.92 -4.21 -0.08 -0.86 -0.12 116.55 112.32 1nqa n ASP 32 Ca -0.18 0.00 0.01 0.00 -1.51 0.00 0.00 54.79 53.11 1nqa n ASP 32 Cb 0.55 0.00 0.17 0.00 2.34 0.00 0.00 41.12 44.17 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 2.99 0.00 -2.67 4.77 -1.26 -3.88 117.00 116.95 1nqa n LEU 33 Ca 0.00 -3.94 0.00 0.00 -0.03 0.00 0.00 56.01 52.04 1nqa n LEU 33 Cb 0.00 -0.46 0.00 0.00 -2.33 0.00 0.00 43.42 40.63 1nqa n LEU 33 CO 0.00 1.48 0.00 1.07 -1.33 0.00 0.00 177.39 178.61 1nqa n THR 34 N -0.96 0.00 -2.84 -5.08 5.66 -1.26 -5.12 114.28 104.68 1nqa n THR 34 Ca 0.22 0.00 -0.20 0.00 -3.05 0.00 0.00 64.05 61.03 1nqa n THR 34 Cb 0.76 0.00 0.04 0.00 -1.55 0.00 0.00 70.33 69.58 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 -0.70 5.27 0.29 1.09 1.47 -1.26 -4.80 116.67 118.03 1nqa s ASP 36 Ca 0.00 -0.36 0.00 0.00 1.18 0.00 0.00 52.55 53.37 1nqa s ASP 36 Cb 0.00 -0.48 0.45 0.00 -0.34 0.00 0.00 42.92 42.55 1nqa s ASP 36 CO 0.00 -1.13 1.83 0.00 0.68 0.00 0.00 175.17 176.56 1nqa h ALA 37 N 0.23 1.25 -0.36 2.11 0.00 -1.90 -2.64 119.26 117.94 1nqa h ALA 37 Ca -0.38 -0.21 0.02 0.00 0.00 0.00 0.00 54.91 54.34 1nqa h ALA 37 Cb 1.29 -0.20 -0.03 0.00 0.00 0.00 0.00 17.79 18.85 1nqa h ALA 37 CO 0.46 0.52 0.20 -0.91 0.00 0.00 0.00 179.25 179.51 1nqa h ASN 38 N 0.71 0.31 -0.26 0.00 2.35 -1.95 -0.75 115.58 115.99 1nqa h ASN 38 Ca 0.15 0.01 -0.03 0.00 -0.55 0.00 0.00 56.30 55.89 1nqa h ASN 38 Cb 0.32 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 38.62 1nqa h ASN 38 CO 0.00 0.23 0.06 0.74 -1.65 0.00 0.00 177.43 176.81 1nqa h THR 39 N 0.41 1.22 -0.43 2.81 2.02 -1.91 -1.66 112.91 115.37 1nqa h THR 39 Ca 0.15 -0.73 -0.06 0.00 0.77 0.00 0.00 66.41 66.54 1nqa h THR 39 Cb 0.03 1.20 -0.02 0.00 -1.74 0.00 0.00 68.15 67.61 1nqa h THR 39 CO -0.08 0.24 0.01 -0.07 0.37 0.00 0.00 175.52 175.99 1nqa h LEU 40 N 0.25 0.64 -0.32 2.58 3.38 -1.35 -0.79 115.31 119.72 1nqa h LEU 40 Ca 0.08 -0.14 -0.04 0.00 0.09 0.00 0.00 57.88 57.88 1nqa h LEU 40 Cb 0.30 -0.17 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 1nqa h LEU 40 CO 0.00 0.71 0.05 0.00 0.09 0.00 0.00 178.44 179.29 1nqa h ALA 41 N 1.37 0.42 -0.28 1.53 0.00 -1.00 0.50 119.26 121.79 1nqa h ALA 41 Ca 0.13 -0.19 -0.00 0.00 0.00 0.00 0.00 54.91 54.85 1nqa h ALA 41 Cb 0.38 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.04 1nqa h ALA 41 CO 0.01 0.11 0.17 1.25 0.00 0.00 0.00 179.25 180.79 1nqa h HIS 42 N 0.35 0.37 -0.28 0.00 -0.00 -0.97 -1.17 115.15 113.45 1nqa h HIS 42 Ca 0.10 -0.00 -0.06 0.00 -0.00 0.00 0.00 60.37 60.40 1nqa h HIS 42 Cb 0.34 -0.12 -0.02 0.00 -0.00 0.00 0.00 27.41 27.61 1nqa h HIS 42 CO 0.02 0.28 -0.10 -0.07 -0.00 0.00 0.00 177.93 178.06 1nqa h LEU 43 N 0.35 0.43 -0.39 0.26 3.38 -1.02 -1.51 115.31 116.81 1nqa h LEU 43 Ca 0.10 -0.10 -0.17 0.00 0.09 0.00 0.00 57.88 57.79 1nqa h LEU 43 Cb 0.02 -0.11 -0.00 0.00 0.09 0.00 0.00 40.66 40.66 1nqa h LEU 43 CO -0.02 0.58 -0.52 0.25 0.09 0.00 0.00 178.44 178.82 1nqa h LEU 44 N 0.42 0.86 -0.08 1.67 5.85 -0.57 -3.32 115.31 120.15 1nqa h LEU 44 Ca 0.08 -0.45 -0.06 0.00 0.84 0.00 0.00 57.88 58.29 1nqa h LEU 44 Cb 0.44 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.22 1nqa h LEU 44 CO 0.02 1.22 -0.19 0.50 -0.34 0.00 0.00 178.44 179.65 1nqa h LYS 45 N 0.61 0.27 -4.79 1.25 3.64 -0.97 -3.40 116.57 113.18 1nqa h LYS 45 Ca 0.02 -0.18 -0.68 0.00 -1.27 0.00 0.00 60.65 58.54 1nqa h LYS 45 Cb 1.11 0.03 -0.29 0.00 -0.41 0.00 0.00 32.23 32.66 1nqa h LYS 45 CO 0.11 0.79 -0.65 0.71 -2.27 0.00 0.00 179.45 178.14 1nqa s TYR 46 N -3.90 3.17 -0.19 1.91 2.02 -0.59 -1.09 117.35 118.68 1nqa s TYR 46 Ca -0.15 -1.31 -0.01 0.00 -0.37 0.00 0.00 57.07 55.23 1nqa s TYR 46 Cb 0.03 -2.20 0.00 0.00 -0.40 0.00 0.00 41.96 39.39 1nqa s TYR 46 CO 0.75 -0.67 -0.12 0.34 -1.57 0.00 0.00 175.55 174.28 1nqa s ASP 47 N 1.41 3.79 0.63 2.29 -1.08 -1.20 -4.63 116.67 117.88 1nqa s ASP 47 Ca 0.00 -0.49 0.42 0.00 -0.52 0.00 0.00 52.55 51.96 1nqa s ASP 47 Cb -0.18 -1.62 2.21 0.00 -1.46 0.00 0.00 42.92 41.88 1nqa s ASP 47 CO 0.01 0.01 2.28 0.28 0.52 0.00 0.00 175.17 178.27 1nqa h SER 48 N 7.85 0.00 0.00 -0.34 0.02 -1.93 -1.13 113.55 118.01 1nqa h SER 48 Ca -0.41 0.00 -0.36 0.00 -0.84 0.00 0.00 61.79 60.18 1nqa h SER 48 Cb 1.16 0.00 -0.06 0.00 0.14 0.00 0.00 62.40 63.64 1nqa h SER 48 CO 0.61 0.00 -2.25 0.52 -1.14 0.00 0.00 176.83 174.57 1nqa n VAL 49 N -3.03 1.23 -0.61 2.27 0.31 -1.26 -4.71 118.33 112.54 1nqa n VAL 49 Ca -0.02 -0.37 0.08 0.00 -0.01 0.00 0.00 64.34 64.02 1nqa n VAL 49 Cb 0.10 -1.60 0.29 0.00 -0.91 0.00 0.00 33.84 31.72 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 -3.68 1.12 -2.97 3.52 8.25 -1.22 -5.01 115.22 115.23 1nqa n HIS 50 Ca -0.42 -0.65 0.06 0.00 -0.26 0.00 0.00 57.72 56.45 1nqa n HIS 50 Cb 0.85 -0.21 -0.02 0.00 1.12 0.00 0.00 29.99 31.73 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 0.58 -1.64 3.72 -1.41 0.00 -0.43 -4.82 105.19 101.19 1nqa n GLY 51 Ca 0.21 -1.20 -0.43 0.00 0.00 0.00 0.00 46.02 44.60 1nqa n GLY 51 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1nqa n ARG 52 N -2.20 2.55 -2.18 1.61 0.00 -1.26 -3.27 116.66 111.91 1nqa n ARG 52 Ca 0.00 0.91 -0.42 0.00 -0.00 0.00 0.00 57.85 58.34 1nqa n ARG 52 Cb 0.21 -2.68 -0.03 0.00 0.00 0.00 0.00 32.46 29.96 1nqa n ARG 52 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.63 176.46 1nqa s LEU 53 N -0.02 4.32 -1.20 6.15 2.96 -0.25 -4.89 118.68 125.74 1nqa s LEU 53 Ca 0.67 2.15 -0.17 0.00 -0.22 0.00 0.00 54.13 56.57 1nqa s LEU 53 Cb -0.54 -3.56 -0.04 0.00 0.50 0.00 0.00 46.19 42.56 1nqa s LEU 53 CO 0.46 -0.76 2.13 -0.67 -1.32 0.00 0.00 176.35 176.19 1nqa n ASP 54 N 5.57 3.45 -3.64 3.68 2.03 -1.26 -4.77 116.55 121.61 1nqa n ASP 54 Ca 0.14 -2.77 -0.01 0.00 0.52 0.00 0.00 54.79 52.66 1nqa n ASP 54 Cb 0.43 -1.45 -0.01 0.00 -0.72 0.00 0.00 41.12 39.37 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 3.85 -2.05 -0.14 -1.67 0.00 -1.26 -5.12 121.76 115.37 1nqa s ALA 55 Ca 0.51 0.76 -0.23 0.00 0.00 0.00 0.00 51.96 53.00 1nqa s ALA 55 Cb 0.14 0.34 -0.03 0.00 0.00 0.00 0.00 23.12 23.58 1nqa s ALA 55 CO -0.01 -0.94 0.72 -1.21 0.00 0.00 0.00 175.76 174.32 1nqa s GLU 56 N -2.67 4.32 -0.05 0.00 2.02 -1.26 -4.94 118.70 116.12 1nqa s GLU 56 Ca 0.12 0.84 0.03 0.00 0.02 0.00 0.00 54.97 55.97 1nqa s GLU 56 Cb 0.02 -3.53 0.01 0.00 0.10 0.00 0.00 34.13 30.73 1nqa s GLU 56 CO -0.03 -0.16 -0.12 0.08 0.02 0.00 0.00 175.26 175.05 1nqa s VAL 57 N 1.60 1.11 0.37 2.63 1.01 -1.25 -0.95 120.40 124.91 1nqa s VAL 57 Ca 0.35 -0.49 -0.09 0.00 0.00 0.00 0.00 61.98 61.75 1nqa s VAL 57 Cb -0.17 -1.00 0.03 0.00 0.00 0.00 0.00 36.38 35.24 1nqa s VAL 57 CO 0.14 0.34 0.63 -0.94 0.00 0.00 0.00 175.10 175.27 1nqa s SER 58 N 0.48 0.49 0.08 3.32 1.04 -0.08 -4.98 113.70 114.04 1nqa s SER 58 Ca -0.11 -1.33 0.08 0.00 0.48 0.00 0.00 55.95 55.08 1nqa s SER 58 Cb -0.14 0.76 -0.03 0.00 0.10 0.00 0.00 66.02 66.71 1nqa s SER 58 CO 0.03 -1.50 -0.22 -0.69 0.98 0.00 0.00 173.24 171.84 1nqa s VAL 59 N -2.67 1.80 -0.30 5.02 1.01 -1.26 -0.30 120.40 123.70 1nqa s VAL 59 Ca 0.23 -1.43 0.01 0.00 0.00 0.00 0.00 61.98 60.79 1nqa s VAL 59 Cb -0.03 -1.60 0.14 0.00 0.00 0.00 0.00 36.38 34.90 1nqa s VAL 59 CO 0.16 0.10 0.32 0.21 0.00 0.00 0.00 175.10 175.89 1nqa s ASN 60 N -1.59 1.42 1.42 3.32 2.47 -0.60 -4.93 114.94 116.44 1nqa s ASN 60 Ca 0.08 -0.85 0.00 0.00 0.42 0.00 0.00 52.86 52.51 1nqa s ASN 60 Cb -0.10 0.60 0.00 0.00 -1.45 0.00 0.00 41.25 40.30 1nqa s ASN 60 CO 0.03 -0.36 0.00 0.61 -3.72 0.00 0.00 177.10 173.66 1nqa n GLY 61 N 5.13 1.90 2.08 1.21 0.00 -1.26 -2.19 105.19 112.06 1nqa n GLY 61 Ca 0.01 -0.41 -0.25 0.00 0.00 0.00 0.00 46.02 45.37 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 6.62 5.00 -4.19 1.61 3.02 -1.26 -4.85 115.26 121.20 1nqa n ASN 62 Ca 0.00 -3.71 -0.21 0.00 -0.03 0.00 0.00 54.58 50.63 1nqa n ASN 62 Cb 0.00 -0.82 -0.13 0.00 -0.61 0.00 0.00 39.78 38.23 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 -1.86 1.91 0.31 6.41 -0.87 -0.93 -1.04 114.94 118.86 1nqa s ASN 63 Ca 0.57 -0.57 -0.08 0.00 -1.57 0.00 0.00 52.86 51.22 1nqa s ASN 63 Cb 0.47 -0.10 -0.06 0.00 -0.02 0.00 0.00 41.25 41.54 1nqa s ASN 63 CO 0.04 0.01 0.62 -0.76 -2.57 0.00 0.00 177.10 174.44 1nqa s LEU 64 N -1.51 4.02 -0.26 0.60 1.43 0.12 -1.55 118.68 121.52 1nqa s LEU 64 Ca 0.02 0.90 -0.02 0.00 -1.03 0.00 0.00 54.13 54.00 1nqa s LEU 64 Cb -0.09 -3.72 0.08 0.00 0.03 0.00 0.00 46.19 42.48 1nqa s LEU 64 CO 0.02 -0.22 0.06 -0.69 0.23 0.00 0.00 176.35 175.75 1nqa s VAL 65 N -2.10 0.77 -0.13 -1.59 1.01 0.59 -0.57 120.40 118.38 1nqa s VAL 65 Ca 0.47 -1.04 -0.00 0.00 0.00 0.00 0.00 61.98 61.41 1nqa s VAL 65 Cb -0.11 -1.41 -0.01 0.00 0.00 0.00 0.00 36.38 34.85 1nqa s VAL 65 CO 0.28 -0.44 -0.13 -0.69 0.00 0.00 0.00 175.10 174.11 1nqa s VAL 66 N 1.70 2.99 -1.74 2.92 1.01 -0.22 -0.91 120.40 126.17 1nqa s VAL 66 Ca 0.04 -0.68 -0.15 0.00 0.00 0.00 0.00 61.98 61.20 1nqa s VAL 66 Cb -0.17 -2.26 0.14 0.00 0.00 0.00 0.00 36.38 34.09 1nqa s VAL 66 CO -0.17 0.52 0.41 0.59 0.00 0.00 0.00 175.10 176.45 1nqa n ASN 67 N 3.59 -0.98 0.00 3.32 3.02 -0.12 -0.50 115.26 123.59 1nqa n ASN 67 Ca -0.18 -1.23 0.00 0.00 -0.03 0.00 0.00 54.58 53.14 1nqa n ASN 67 Cb 0.53 -1.77 0.00 0.00 -0.61 0.00 0.00 39.78 37.93 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 -1.63 2.04 3.76 7.41 0.00 -1.26 -5.00 105.19 110.49 1nqa n GLY 68 Ca -0.05 -0.40 -0.37 0.00 0.00 0.00 0.00 46.02 45.19 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 3.25 -0.12 1.61 -0.14 0.35 -4.99 119.74 119.69 1nqa s LYS 69 Ca 0.00 2.02 -0.02 0.00 -1.36 0.00 0.00 55.97 56.62 1nqa s LYS 69 Cb 0.00 -2.22 -0.03 0.00 -1.68 0.00 0.00 37.83 33.91 1nqa s LYS 69 CO 0.00 -1.04 -0.06 -1.21 -0.76 0.00 0.00 175.35 172.28 1nqa s GLU 70 N -2.95 3.35 -0.14 1.68 2.02 -1.26 -1.05 118.70 120.35 1nqa s GLU 70 Ca 0.71 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 55.15 1nqa s GLU 70 Cb -0.35 -2.77 -0.00 0.00 0.10 0.00 0.00 34.13 31.11 1nqa s GLU 70 CO 0.41 0.37 -0.16 0.42 0.02 0.00 0.00 175.26 176.31 1nqa s ILE 71 N 0.00 2.62 0.23 -1.63 1.09 0.26 -4.90 121.20 118.87 1nqa s ILE 71 Ca -0.00 -0.79 -0.30 0.00 -1.10 0.00 0.00 60.65 58.45 1nqa s ILE 71 Cb -0.14 -2.09 -0.09 0.00 -1.06 0.00 0.00 42.46 39.09 1nqa s ILE 71 CO 0.03 0.52 1.16 -0.63 -0.10 0.00 0.00 174.94 175.93 1nqa s ILE 72 N 0.69 3.50 -0.21 2.92 1.01 -0.06 0.14 121.20 129.19 1nqa s ILE 72 Ca -0.08 1.36 -0.04 0.00 0.00 0.00 0.00 60.65 61.89 1nqa s ILE 72 Cb -0.16 -3.87 -0.02 0.00 0.01 0.00 0.00 42.46 38.43 1nqa s ILE 72 CO 0.02 0.27 -0.02 -0.69 0.00 0.00 0.00 174.94 174.52 1nqa s VAL 73 N -0.55 3.72 0.24 2.92 1.01 -0.21 -1.20 120.40 126.34 1nqa s VAL 73 Ca 0.49 -0.39 0.08 0.00 0.00 0.00 0.00 61.98 62.17 1nqa s VAL 73 Cb -0.33 -2.68 -0.04 0.00 0.00 0.00 0.00 36.38 33.33 1nqa s VAL 73 CO 0.39 0.42 0.04 -0.54 0.00 0.00 0.00 175.10 175.41 1nqa s LYS 74 N 1.19 2.45 -0.35 2.72 1.02 0.04 -4.86 119.74 121.95 1nqa s LYS 74 Ca 0.03 -1.27 0.15 0.00 0.02 0.00 0.00 55.97 54.89 1nqa s LYS 74 Cb -0.15 -2.29 0.40 0.00 -0.52 0.00 0.00 37.83 35.27 1nqa s LYS 74 CO 0.00 0.39 0.83 0.00 -0.92 0.00 0.00 175.35 175.66 1nqa n ALA 75 N -0.76 2.58 -2.71 5.17 0.00 -1.26 -2.03 120.51 121.50 1nqa n ALA 75 Ca -0.08 -3.27 -0.37 0.00 0.00 0.00 0.00 53.44 49.72 1nqa n ALA 75 Cb 0.58 -0.94 -0.11 0.00 0.00 0.00 0.00 19.45 18.98 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 -2.70 3.90 0.31 0.00 0.41 -1.25 -4.91 118.70 114.45 1nqa s GLU 76 Ca 0.34 -0.35 0.09 0.00 -0.41 0.00 0.00 54.97 54.64 1nqa s GLU 76 Cb 0.40 -3.55 0.50 0.00 -1.78 0.00 0.00 34.13 29.70 1nqa s GLU 76 CO -0.03 -0.14 1.71 -0.09 -0.49 0.00 0.00 175.26 176.23 1nqa h ARG 77 N 8.17 0.13 -4.72 1.61 2.43 -1.98 -3.40 114.38 116.62 1nqa h ARG 77 Ca -0.36 -0.06 -0.68 0.00 -0.81 0.00 0.00 59.98 58.06 1nqa h ARG 77 Cb 1.18 0.00 -0.21 0.00 -0.42 0.00 0.00 29.97 30.52 1nqa h ARG 77 CO 0.57 0.56 -0.51 0.34 -1.51 0.00 0.00 179.97 179.42 1nqa s ASP 78 N -6.89 5.81 0.32 -3.80 -1.08 -1.26 -4.96 116.67 104.81 1nqa s ASP 78 Ca -0.03 -0.56 0.21 0.00 -0.52 0.00 0.00 52.55 51.65 1nqa s ASP 78 Cb 0.13 -2.07 1.16 0.00 -1.46 0.00 0.00 42.92 40.68 1nqa s ASP 78 CO 0.76 -0.25 1.65 -0.81 0.52 0.00 0.00 175.17 177.04 1nqa n PRO 79 N 5.04 0.14 0.26 4.34 -0.04 -1.26 -1.73 135.00 141.74 1nqa n PRO 79 Ca -0.13 0.64 0.11 0.00 -0.04 0.00 0.00 63.50 64.08 1nqa n PRO 79 Cb 0.49 -1.95 0.69 0.00 -0.04 0.00 0.00 33.50 32.68 1nqa n PRO 79 CO 0.00 0.00 0.00 1.49 -0.04 0.00 0.00 175.50 176.95 1nqa h GLU 80 N 0.00 0.00 -0.56 0.54 4.57 -1.93 -2.51 114.58 114.69 1nqa h GLU 80 Ca 0.00 0.00 0.00 0.00 -1.18 0.00 0.00 59.36 58.18 1nqa h GLU 80 Cb 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 28.75 28.59 1nqa h GLU 80 CO 0.00 0.14 0.00 0.09 -1.18 0.00 0.00 179.01 178.06 1nqa n ASN 81 N -3.73 5.38 0.21 1.04 3.02 -0.71 -4.52 115.26 115.96 1nqa n ASN 81 Ca -0.02 -2.85 0.14 0.00 -0.03 0.00 0.00 54.58 51.83 1nqa n ASN 81 Cb 0.25 -0.65 0.45 0.00 -0.61 0.00 0.00 39.78 39.21 1nqa n ASN 81 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 1nqa h LEU 82 N 3.80 0.00 -1.84 3.41 3.38 -1.61 -3.48 115.31 118.97 1nqa h LEU 82 Ca 0.00 0.00 -0.53 0.00 0.09 0.00 0.00 57.88 57.44 1nqa h LEU 82 Cb 1.83 0.00 -0.11 0.00 0.09 0.00 0.00 40.66 42.47 1nqa h LEU 82 CO 0.42 0.00 -0.90 0.00 0.09 0.00 0.00 178.44 178.05 1nqa n ALA 83 N -2.00 -1.92 -0.22 1.53 0.00 -1.26 -4.84 120.51 111.81 1nqa n ALA 83 Ca 0.03 -0.27 -0.02 0.00 0.00 0.00 0.00 53.44 53.17 1nqa n ALA 83 Cb 0.38 -1.58 0.08 0.00 0.00 0.00 0.00 19.45 18.34 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 -1.78 0.67 -0.48 0.00 4.06 -1.68 -2.89 115.95 113.86 1nqa h TRP 84 Ca -0.63 0.02 0.09 0.00 2.06 0.00 0.00 58.89 60.44 1nqa h TRP 84 Cb 1.38 -0.21 -0.10 0.00 -1.00 0.00 0.00 29.16 29.24 1nqa h TRP 84 CO 0.51 0.34 -0.25 0.78 -3.56 0.00 0.00 178.44 176.26 1nqa h GLY 85 N 0.68 0.03 -0.08 1.49 0.00 -1.32 -1.58 103.07 102.30 1nqa h GLY 85 Ca 0.28 0.32 0.28 0.00 0.00 0.00 0.00 47.33 48.21 1nqa h GLY 85 CO -0.16 -0.21 0.71 0.83 0.00 0.00 0.00 176.54 177.71 1nqa h GLU 86 N -0.15 0.17 -0.50 4.80 5.08 -1.77 0.14 114.58 122.35 1nqa h GLU 86 Ca 0.22 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.57 1nqa h GLU 86 Cb 0.49 -0.04 0.00 0.00 0.50 0.00 0.00 28.75 29.70 1nqa h GLU 86 CO -0.56 0.11 0.00 0.44 -1.00 0.00 0.00 179.01 178.00 1nqa n ILE 87 N -4.39 1.70 -2.42 3.13 -5.35 -0.63 -4.98 119.36 106.42 1nqa n ILE 87 Ca 0.23 -1.28 -0.15 0.00 -0.27 0.00 0.00 62.75 61.28 1nqa n ILE 87 Cb 0.99 0.15 0.00 0.00 -1.74 0.00 0.00 39.64 39.05 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 0.66 -0.22 3.63 3.28 0.00 0.48 -4.99 105.19 108.05 1nqa n GLY 88 Ca 0.21 -0.24 -0.42 0.00 0.00 0.00 0.00 46.02 45.57 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 -2.80 4.68 -0.16 1.61 1.01 -0.98 -4.68 120.40 119.08 1nqa s VAL 89 Ca 0.06 1.55 -0.19 0.00 0.00 0.00 0.00 61.98 63.40 1nqa s VAL 89 Cb -0.03 -4.26 -0.23 0.00 0.00 0.00 0.00 36.38 31.86 1nqa s VAL 89 CO 0.07 -0.30 0.39 0.44 0.00 0.00 0.00 175.10 175.71 1nqa h ASP 90 N 7.95 0.16 -3.32 3.32 3.32 -1.62 -3.36 116.42 122.87 1nqa h ASP 90 Ca -0.22 -0.72 -0.65 0.00 0.02 0.00 0.00 57.03 55.46 1nqa h ASP 90 Cb 1.08 -0.05 -0.26 0.00 0.22 0.00 0.00 39.33 40.31 1nqa h ASP 90 CO 0.95 1.52 -0.74 -0.63 -1.72 0.00 0.00 179.24 178.62 1nqa s ILE 91 N -2.41 3.25 -0.18 0.35 1.01 -1.10 -0.43 121.20 121.70 1nqa s ILE 91 Ca -0.24 -0.58 -0.02 0.00 0.00 0.00 0.00 60.65 59.80 1nqa s ILE 91 Cb 0.05 -2.39 -0.01 0.00 0.01 0.00 0.00 42.46 40.11 1nqa s ILE 91 CO 0.68 0.51 -0.08 -0.69 0.00 0.00 0.00 174.94 175.35 1nqa s VAL 92 N 0.50 3.26 -0.44 2.92 1.01 -0.56 -0.31 120.40 126.77 1nqa s VAL 92 Ca -0.07 -0.55 -0.21 0.00 0.00 0.00 0.00 61.98 61.15 1nqa s VAL 92 Cb -0.15 -2.44 0.03 0.00 0.00 0.00 0.00 36.38 33.81 1nqa s VAL 92 CO 0.04 0.47 0.65 -0.69 0.00 0.00 0.00 175.10 175.57 1nqa s VAL 93 N 0.99 4.82 -0.63 2.92 1.01 0.16 -0.47 120.40 129.19 1nqa s VAL 93 Ca -0.01 0.11 -0.22 0.00 0.00 0.00 0.00 61.98 61.86 1nqa s VAL 93 Cb -0.15 -4.22 0.07 0.00 0.00 0.00 0.00 36.38 32.09 1nqa s VAL 93 CO -0.00 -0.62 0.91 -0.70 0.00 0.00 0.00 175.10 174.69 1nqa s GLU 94 N 2.85 3.12 -0.32 2.72 2.56 -0.01 -0.86 118.70 128.76 1nqa s GLU 94 Ca 0.23 -0.87 0.14 0.00 0.00 0.00 0.00 54.97 54.46 1nqa s GLU 94 Cb -0.14 -4.22 0.47 0.00 2.00 0.00 0.00 34.13 32.24 1nqa s GLU 94 CO 0.19 -1.72 1.10 -1.13 -0.56 0.00 0.00 175.26 173.14 1nqa n SER 95 N 7.40 3.19 -0.01 -1.70 3.41 0.08 -1.34 113.62 124.65 1nqa n SER 95 Ca -0.04 -3.02 0.01 0.00 -0.26 0.00 0.00 58.87 55.56 1nqa n SER 95 Cb 0.45 -0.44 -0.13 0.00 -0.26 0.00 0.00 64.21 63.83 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 -0.51 0.84 -0.74 6.66 -2.24 -1.16 -4.58 114.28 112.56 1nqa n THR 96 Ca 0.25 -0.67 0.00 0.00 -2.27 0.00 0.00 64.05 61.36 1nqa n THR 96 Cb 0.83 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 68.65 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 1.44 0.81 0.01 3.38 0.00 -1.26 -4.88 105.19 104.68 1nqa n GLY 97 Ca -0.14 0.00 0.08 0.00 0.00 0.00 0.00 46.02 45.96 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 -2.20 0.71 -2.57 1.61 5.12 -1.26 -4.71 116.66 113.36 1nqa n ARG 98 Ca 0.00 -0.12 -0.28 0.00 -1.93 0.00 0.00 57.85 55.52 1nqa n ARG 98 Cb 0.00 -1.35 -0.01 0.00 -1.16 0.00 0.00 32.46 29.95 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 -1.93 3.55 0.56 -1.55 3.72 -1.26 -4.78 117.46 115.77 1nqa n PHE 99 Ca -0.02 -3.30 0.13 0.00 -0.05 0.00 0.00 57.45 54.21 1nqa n PHE 99 Cb 0.38 -0.24 0.30 0.00 -0.94 0.00 0.00 39.48 38.98 1nqa n PHE 99 CO 0.00 0.00 0.00 1.79 -0.05 0.00 0.00 176.76 178.50 1nqa h THR 100 N 2.65 0.00 -3.60 4.37 1.35 -1.90 -3.31 112.91 112.47 1nqa h THR 100 Ca 0.27 -0.54 -0.51 0.00 -0.55 0.00 0.00 66.41 65.08 1nqa h THR 100 Cb 0.77 1.40 -0.01 0.00 -1.73 0.00 0.00 68.15 68.58 1nqa h THR 100 CO 0.87 0.00 0.40 -0.54 -0.25 0.00 0.00 175.52 176.00 1nqa s LYS 101 N -3.14 4.69 0.25 4.72 1.02 -1.26 -2.07 119.74 123.96 1nqa s LYS 101 Ca 0.09 1.54 -0.03 0.00 0.02 0.00 0.00 55.97 57.59 1nqa s LYS 101 Cb 0.12 -3.33 0.46 0.00 -0.52 0.00 0.00 37.83 34.56 1nqa s LYS 101 CO 0.65 0.22 1.80 -0.09 -0.92 0.00 0.00 175.35 177.01 1nqa h ARG 102 N 5.18 0.74 -0.61 1.68 2.43 -1.40 -1.06 114.38 121.34 1nqa h ARG 102 Ca -0.44 -0.04 0.09 0.00 -0.81 0.00 0.00 59.98 58.78 1nqa h ARG 102 Cb 1.21 -0.17 -0.04 0.00 -0.42 0.00 0.00 29.97 30.55 1nqa h ARG 102 CO 0.71 0.49 0.41 1.05 -1.51 0.00 0.00 179.97 181.12 1nqa h GLU 103 N 0.77 0.44 0.07 0.20 4.11 -1.91 0.12 114.58 118.38 1nqa h GLU 103 Ca 0.43 -0.03 -0.13 0.00 0.07 0.00 0.00 59.36 59.70 1nqa h GLU 103 Cb 0.47 -0.10 0.01 0.00 0.50 0.00 0.00 28.75 29.62 1nqa h GLU 103 CO -0.28 0.29 -0.62 -0.44 0.07 0.00 0.00 179.01 178.03 1nqa h ASP 104 N 0.45 0.25 -0.46 3.06 3.32 -1.56 -3.33 116.42 118.16 1nqa h ASP 104 Ca 0.28 -0.92 0.00 0.00 0.02 0.00 0.00 57.03 56.41 1nqa h ASP 104 Cb 0.50 -0.08 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1nqa h ASP 104 CO -0.08 1.28 0.29 0.00 -1.72 0.00 0.00 179.24 179.01 1nqa h ALA 105 N -0.01 1.63 0.00 3.45 0.00 -1.01 -1.56 119.26 121.77 1nqa h ALA 105 Ca -0.13 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.74 1nqa h ALA 105 Cb 1.39 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.99 1nqa h ALA 105 CO 0.06 0.33 0.03 0.00 0.00 0.00 0.00 179.25 179.67 1nqa h ALA 106 N 1.68 1.03 -0.14 0.00 0.00 -0.87 -1.67 119.26 119.29 1nqa h ALA 106 Ca 0.17 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.12 1nqa h ALA 106 Cb -0.04 0.00 -0.01 0.00 0.00 0.00 0.00 17.79 17.74 1nqa h ALA 106 CO -0.03 -0.03 0.13 0.87 0.00 0.00 0.00 179.25 180.19 1nqa h LYS 107 N 0.00 0.00 -0.48 0.00 1.57 -1.41 -0.54 116.57 115.71 1nqa h LYS 107 Ca 0.00 0.00 -0.08 0.00 -1.87 0.00 0.00 60.65 58.70 1nqa h LYS 107 Cb 0.07 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.36 1nqa h LYS 107 CO 0.00 0.00 -0.00 0.45 -0.57 0.00 0.00 179.45 179.33 1nqa h HIS 108 N 0.00 0.92 -0.30 -1.35 3.86 -1.51 -1.25 115.15 115.52 1nqa h HIS 108 Ca 0.07 -0.16 -0.01 0.00 -1.16 0.00 0.00 60.37 59.10 1nqa h HIS 108 Cb 0.34 -0.24 -0.01 0.00 1.06 0.00 0.00 27.41 28.55 1nqa h HIS 108 CO 0.00 0.88 0.13 -0.07 0.86 0.00 0.00 177.93 179.73 1nqa h LEU 109 N 0.70 0.40 -2.07 2.43 3.38 -1.30 -1.21 115.31 117.65 1nqa h LEU 109 Ca 0.13 -0.15 0.07 0.00 0.09 0.00 0.00 57.88 58.03 1nqa h LEU 109 Cb 0.51 -0.10 -0.01 0.00 0.09 0.00 0.00 40.66 41.15 1nqa h LEU 109 CO 0.03 0.44 0.19 -0.33 0.09 0.00 0.00 178.44 178.85 1nqa h GLU 110 N 0.34 0.00 -0.00 1.13 5.08 -1.17 0.36 114.58 120.32 1nqa h GLU 110 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 1nqa h GLU 110 Cb 0.15 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.40 1nqa h GLU 110 CO -0.01 0.00 -0.01 0.00 -1.00 0.00 0.00 179.01 177.98 1nqa n ALA 111 N -2.53 2.65 0.00 3.43 0.00 -0.49 -4.87 120.51 118.70 1nqa n ALA 111 Ca 0.03 -0.24 0.00 0.00 0.00 0.00 0.00 53.44 53.23 1nqa n ALA 111 Cb 0.34 -1.44 0.00 0.00 0.00 0.00 0.00 19.45 18.35 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 1.10 1.33 3.90 0.00 0.00 0.13 -1.87 105.19 109.78 1nqa n GLY 112 Ca 0.21 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 3.77 -0.06 4.61 0.00 -0.72 -3.02 121.76 124.35 1nqa s ALA 113 Ca 0.00 -0.61 -0.00 0.00 0.00 0.00 0.00 51.96 51.34 1nqa s ALA 113 Cb 0.00 -2.13 -0.00 0.00 0.00 0.00 0.00 23.12 20.99 1nqa s ALA 113 CO 0.00 0.56 0.01 0.87 0.00 0.00 0.00 175.76 177.20 1nqa h LYS 114 N 2.47 -0.00 -6.01 0.00 1.79 -0.89 -3.38 116.57 110.54 1nqa h LYS 114 Ca -0.47 0.00 -0.59 0.00 -2.18 0.00 0.00 60.65 57.42 1nqa h LYS 114 Cb 1.17 0.00 -0.14 0.00 -1.58 0.00 0.00 32.23 31.69 1nqa h LYS 114 CO 0.71 -0.00 -0.73 0.15 -1.08 0.00 0.00 179.45 178.49 1nqa s LYS 115 N -1.33 1.67 -0.05 3.15 -0.14 0.23 -4.92 119.74 118.34 1nqa s LYS 115 Ca -0.00 -1.79 -0.00 0.00 -1.36 0.00 0.00 55.97 52.81 1nqa s LYS 115 Cb 0.00 -1.63 0.03 0.00 -1.68 0.00 0.00 37.83 34.54 1nqa s LYS 115 CO 0.00 0.24 -0.01 0.08 -0.76 0.00 0.00 175.35 174.90 1nqa s VAL 116 N -2.63 0.38 -0.41 3.17 1.01 -0.56 -1.50 120.40 119.87 1nqa s VAL 116 Ca 0.30 0.03 -0.09 0.00 0.00 0.00 0.00 61.98 62.22 1nqa s VAL 116 Cb -0.02 -0.48 0.07 0.00 0.00 0.00 0.00 36.38 35.95 1nqa s VAL 116 CO 0.14 0.22 0.24 -0.63 0.00 0.00 0.00 175.10 175.07 1nqa s ILE 117 N 1.39 4.19 -0.27 2.22 1.01 0.38 -1.21 121.20 128.91 1nqa s ILE 117 Ca -0.04 -1.35 -0.29 0.00 0.00 0.00 0.00 60.65 58.97 1nqa s ILE 117 Cb -0.13 -3.53 0.01 0.00 0.01 0.00 0.00 42.46 38.81 1nqa s ILE 117 CO -0.03 -0.46 1.12 -0.63 0.00 0.00 0.00 174.94 174.95 1nqa s ILE 118 N 1.43 4.47 0.00 2.92 1.01 0.29 -0.83 121.20 130.49 1nqa s ILE 118 Ca 0.03 1.73 -0.00 0.00 0.00 0.00 0.00 60.65 62.41 1nqa s ILE 118 Cb -0.22 -4.30 -0.01 0.00 0.01 0.00 0.00 42.46 37.94 1nqa s ILE 118 CO 0.02 -0.35 1.53 -1.54 0.00 0.00 0.00 174.94 174.60 1nqa n SER 119 N 6.79 3.99 -3.64 3.58 3.41 -0.45 -1.94 113.62 125.37 1nqa n SER 119 Ca 0.13 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.68 1nqa n SER 119 Cb 0.46 -0.85 -0.01 0.00 -0.26 0.00 0.00 64.21 63.56 1nqa n SER 119 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1nqa s ALA 120 N 0.53 -2.14 0.37 7.33 0.00 -1.21 -4.89 121.76 121.76 1nqa s ALA 120 Ca 0.01 0.64 -0.27 0.00 0.00 0.00 0.00 51.96 52.35 1nqa s ALA 120 Cb 0.01 0.39 -0.11 0.00 0.00 0.00 0.00 23.12 23.40 1nqa s ALA 120 CO 0.00 -1.03 1.25 -2.30 0.00 0.00 0.00 175.76 173.68 1nqa n PRO 121 N -0.47 1.97 -3.80 0.00 -0.02 -1.25 -4.11 135.00 127.31 1nqa n PRO 121 Ca -0.08 0.70 -0.22 0.00 -2.02 0.00 0.00 63.50 61.88 1nqa n PRO 121 Cb 0.62 -2.30 -0.05 0.00 -0.02 0.00 0.00 33.50 31.75 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 0.09 0.31 -3.82 3.55 0.00 -1.26 -4.90 120.51 114.49 1nqa n ALA 122 Ca 0.06 -1.54 -0.25 0.00 0.00 0.00 0.00 53.44 51.71 1nqa n ALA 122 Cb 0.37 0.87 -0.17 0.00 0.00 0.00 0.00 19.45 20.52 1nqa n ALA 122 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1nqa s LYS 122 N -3.22 1.27 -1.16 0.00 2.20 -0.88 -4.76 119.74 113.18 1nqa s LYS 122 Ca 0.02 -0.17 -0.01 0.00 -0.36 0.00 0.00 55.97 55.45 1nqa s LYS 122 Cb 0.00 -1.37 0.00 0.00 -1.51 0.00 0.00 37.83 34.95 1nqa s LYS 122 CO 0.02 -0.24 0.13 0.09 -0.36 0.00 0.00 175.35 174.99 1nqa n ASN 123 N 4.84 -4.44 -4.82 1.43 3.02 -1.26 -1.20 115.26 112.84 1nqa n ASN 123 Ca -0.13 -0.07 -0.32 0.00 -0.03 0.00 0.00 54.58 54.03 1nqa n ASN 123 Cb 0.50 -3.51 0.02 0.00 -0.61 0.00 0.00 39.78 36.18 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 -4.90 3.30 0.43 3.52 1.03 -1.26 -4.58 118.70 116.24 1nqa s GLU 124 Ca 0.06 1.07 0.20 0.00 0.03 0.00 0.00 54.97 56.33 1nqa s GLU 124 Cb -0.03 -2.04 0.96 0.00 -0.80 0.00 0.00 34.13 32.22 1nqa s GLU 124 CO 0.08 -0.81 1.88 -0.44 -1.33 0.00 0.00 175.26 174.64 1nqa h ASP 125 N 0.10 0.00 -3.15 0.83 3.32 -1.47 -3.46 116.42 112.59 1nqa h ASP 125 Ca -0.46 0.00 0.23 0.00 0.02 0.00 0.00 57.03 56.82 1nqa h ASP 125 Cb 1.21 0.00 -0.27 0.00 0.22 0.00 0.00 39.33 40.49 1nqa h ASP 125 CO 0.58 0.28 0.92 -0.51 -1.72 0.00 0.00 179.24 178.79 1nqa s ILE 126 N -4.00 0.00 -0.14 0.35 2.07 -1.24 -4.93 121.20 113.31 1nqa s ILE 126 Ca -0.02 0.00 -0.03 0.00 -1.41 0.00 0.00 60.65 59.19 1nqa s ILE 126 Cb 0.13 -1.00 -0.03 0.00 0.13 0.00 0.00 42.46 41.69 1nqa s ILE 126 CO 0.66 0.00 -0.04 -0.89 -1.91 0.00 0.00 174.94 172.76 1nqa s THR 127 N -0.99 3.90 0.01 4.00 2.01 -1.26 -1.34 115.64 121.97 1nqa s THR 127 Ca 0.08 -0.36 0.06 0.00 0.31 0.00 0.00 61.69 61.78 1nqa s THR 127 Cb -0.01 -2.69 -0.02 0.00 0.01 0.00 0.00 72.50 69.79 1nqa s THR 127 CO -0.08 0.51 -0.18 -0.63 -0.69 0.00 0.00 174.62 173.55 1nqa s ILE 128 N 0.16 1.45 -0.23 1.82 -1.09 0.69 -4.75 121.20 119.26 1nqa s ILE 128 Ca -0.02 -0.92 0.00 0.00 -2.23 0.00 0.00 60.65 57.49 1nqa s ILE 128 Cb -0.14 -1.24 0.06 0.00 -1.58 0.00 0.00 42.46 39.57 1nqa s ILE 128 CO 0.03 0.29 -0.05 -0.69 -1.23 0.00 0.00 174.94 173.30 1nqa s VAL 129 N -0.58 1.41 0.21 2.92 1.01 -1.26 -4.16 120.40 119.94 1nqa s VAL 129 Ca 0.06 -1.12 -0.32 0.00 0.00 0.00 0.00 61.98 60.61 1nqa s VAL 129 Cb -0.08 -1.69 -0.14 0.00 0.00 0.00 0.00 36.38 34.48 1nqa s VAL 129 CO 0.00 -0.09 1.46 0.23 0.00 0.00 0.00 175.10 176.70 1nqa n MET 130 N 4.72 2.05 -0.43 2.72 0.00 -1.26 -1.43 117.12 123.49 1nqa n MET 130 Ca -0.12 0.73 0.00 0.00 0.00 0.00 0.00 57.70 58.31 1nqa n MET 130 Cb 0.45 -2.43 0.00 0.00 0.00 0.00 0.00 33.22 31.24 1nqa n MET 130 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1nqa n GLY 131 N 2.56 0.73 0.00 3.03 0.00 -1.26 -4.85 105.19 105.41 1nqa n GLY 131 Ca 0.13 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.15 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 0.00 -2.06 1.61 0.31 -0.52 -4.91 118.33 110.77 1nqa n VAL 132 Ca 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 64.34 64.31 1nqa n VAL 132 Cb 0.00 -0.29 -0.03 0.00 -0.91 0.00 0.00 33.84 32.61 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 -1.88 -0.31 0.29 4.52 6.94 -1.06 -4.91 115.26 118.85 1nqa n ASN 133 Ca 0.00 -1.64 0.17 0.00 -0.02 0.00 0.00 54.58 53.09 1nqa n ASN 133 Cb 0.25 0.07 0.83 0.00 -2.36 0.00 0.00 39.78 38.57 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 0.12 0.00 0.00 -3.83 -0.00 -1.95 -1.50 115.11 107.95 1nqa h GLN 134 Ca -0.27 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.38 1nqa h GLN 134 Cb 1.32 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.80 1nqa h GLN 134 CO -0.11 0.05 0.00 -0.40 -0.00 0.00 0.00 178.83 178.37 1nqa n ASP 135 N -3.26 0.00 -0.19 0.06 5.68 -1.26 -1.34 116.55 116.24 1nqa n ASP 135 Ca -0.01 0.41 0.12 0.00 -0.50 0.00 0.00 54.79 54.81 1nqa n ASP 135 Cb 0.23 -0.44 0.22 0.00 -1.14 0.00 0.00 41.12 39.99 1nqa n ASP 135 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 1nqa n LYS 136 N -1.44 0.57 -2.03 0.11 4.76 -0.57 -4.91 118.16 114.65 1nqa n LYS 136 Ca 0.03 -0.38 -0.42 0.00 -2.87 0.00 0.00 58.31 54.66 1nqa n LYS 136 Cb 0.09 -1.49 -0.03 0.00 -1.84 0.00 0.00 35.03 31.76 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 -2.69 3.11 -0.27 2.13 5.04 -0.45 -5.00 117.35 119.22 1nqa s TYR 137 Ca 0.18 0.85 0.02 0.00 -2.44 0.00 0.00 57.07 55.68 1nqa s TYR 137 Cb 0.18 -3.82 0.07 0.00 0.35 0.00 0.00 41.96 38.74 1nqa s TYR 137 CO 0.62 -2.87 -0.06 0.34 -1.34 0.00 0.00 175.55 172.25 1nqa s ASP 138 N 0.88 4.28 0.54 4.32 2.15 -1.26 -5.01 116.67 122.57 1nqa s ASP 138 Ca 0.65 -1.45 0.28 0.00 0.43 0.00 0.00 52.55 52.45 1nqa s ASP 138 Cb -0.41 -1.41 1.44 0.00 -0.30 0.00 0.00 42.92 42.24 1nqa s ASP 138 CO 0.34 -0.25 1.96 1.55 -0.17 0.00 0.00 175.17 178.61 1nqa h PRO 138 N 7.82 0.00 -0.02 4.34 0.13 -1.89 0.41 132.00 142.79 1nqa h PRO 138 Ca -0.16 0.00 -0.23 0.00 -0.87 0.00 0.00 66.00 64.74 1nqa h PRO 138 Cb 1.05 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.18 1nqa h PRO 138 CO 0.45 0.00 -0.94 0.87 -0.23 0.00 0.00 178.00 178.16 1nqa h LYS 139 N 0.00 0.53 0.00 0.86 6.56 -1.94 -3.39 116.57 119.19 1nqa h LYS 139 Ca 0.29 -0.54 -0.01 0.00 -1.06 0.00 0.00 60.65 59.33 1nqa h LYS 139 Cb 1.21 0.15 -0.00 0.00 -0.57 0.00 0.00 32.23 33.01 1nqa h LYS 139 CO -0.00 1.17 -1.49 0.00 -2.06 0.00 0.00 179.45 177.07 1nqa n ALA 140 N -2.57 2.37 -2.87 3.86 0.00 -0.88 -4.93 120.51 115.48 1nqa n ALA 140 Ca -0.08 -0.26 -0.44 0.00 0.00 0.00 0.00 53.44 52.66 1nqa n ALA 140 Cb 0.83 -0.35 -0.06 0.00 0.00 0.00 0.00 19.45 19.87 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 -2.72 3.05 -0.13 0.00 3.76 0.14 -4.83 115.29 114.56 1nqa s HIS 141 Ca -0.04 -0.69 0.04 0.00 -0.15 0.00 0.00 55.06 54.22 1nqa s HIS 141 Cb 0.07 -3.66 -0.11 0.00 1.11 0.00 0.00 32.58 29.99 1nqa s HIS 141 CO 0.44 -1.10 -0.06 0.72 -0.85 0.00 0.00 174.74 173.89 1nqa n HIS 142 N 6.15 0.00 -3.83 1.40 -0.00 -1.26 -4.71 115.22 112.97 1nqa n HIS 142 Ca -0.08 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.29 1nqa n HIS 142 Cb 0.44 -0.53 -0.13 0.00 -0.00 0.00 0.00 29.99 29.78 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 -2.27 3.17 0.01 1.59 1.01 -1.26 -1.49 120.40 121.16 1nqa s VAL 143 Ca -0.14 -1.76 0.03 0.00 0.00 0.00 0.00 61.98 60.12 1nqa s VAL 143 Cb 0.04 -3.03 -0.03 0.00 0.00 0.00 0.00 36.38 33.36 1nqa s VAL 143 CO 0.36 -0.44 -0.07 -0.63 0.00 0.00 0.00 175.10 174.33 1nqa s ILE 144 N 1.19 3.65 -0.10 2.22 1.09 -0.35 -1.07 121.20 127.83 1nqa s ILE 144 Ca 0.03 -0.81 -0.02 0.00 -1.10 0.00 0.00 60.65 58.74 1nqa s ILE 144 Cb -0.21 -2.60 -0.03 0.00 -1.06 0.00 0.00 42.46 38.55 1nqa s ILE 144 CO -0.03 0.37 0.00 -0.55 -0.10 0.00 0.00 174.94 174.63 1nqa s SER 145 N -1.50 5.21 -0.01 3.58 0.15 -0.45 -0.55 113.70 120.13 1nqa s SER 145 Ca 0.18 0.11 0.21 0.00 0.70 0.00 0.00 55.95 57.15 1nqa s SER 145 Cb -0.11 -1.55 0.64 0.00 -1.71 0.00 0.00 66.02 63.29 1nqa s SER 145 CO 0.08 0.34 1.54 -3.20 1.20 0.00 0.00 173.24 173.20 1nqa n ASN 146 N 2.42 3.93 -0.36 5.45 4.05 -0.82 -0.22 115.26 129.71 1nqa n ASN 146 Ca -0.18 -2.06 0.00 0.00 0.45 0.00 0.00 54.58 52.79 1nqa n ASN 146 Cb 0.53 -0.49 0.00 0.00 1.23 0.00 0.00 39.78 41.05 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 1.52 0.00 -2.86 5.20 0.00 -1.26 -4.76 120.51 118.35 1nqa n ALA 147 Ca 0.24 0.00 -0.21 0.00 0.00 0.00 0.00 53.44 53.47 1nqa n ALA 147 Cb 0.64 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 20.06 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 -4.00 6.09 0.31 0.00 1.04 -1.26 -3.33 113.70 112.55 1nqa s SER 148 Ca 0.00 -0.04 -0.00 0.00 0.48 0.00 0.00 55.95 56.38 1nqa s SER 148 Cb 0.00 -1.66 0.52 0.00 0.10 0.00 0.00 66.02 64.97 1nqa s SER 148 CO 0.00 -0.12 1.97 0.00 0.98 0.00 0.00 173.24 176.07 1nqa h ALA 149 N 1.20 1.47 -0.52 5.32 0.00 -1.89 -1.44 119.26 123.40 1nqa h ALA 149 Ca -0.50 -0.05 -0.02 0.00 0.00 0.00 0.00 54.91 54.34 1nqa h ALA 149 Cb 1.24 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 18.70 1nqa h ALA 149 CO 0.60 0.47 0.23 1.15 0.00 0.00 0.00 179.25 181.69 1nqa h THR 150 N 1.03 1.21 -0.21 0.00 2.02 -1.96 -1.76 112.91 113.24 1nqa h THR 150 Ca 0.30 -0.61 -0.09 0.00 0.77 0.00 0.00 66.41 66.79 1nqa h THR 150 Cb -0.04 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.00 1nqa h THR 150 CO -0.08 0.24 -0.25 0.74 0.37 0.00 0.00 175.52 176.54 1nqa h THR 151 N 0.69 1.25 0.00 3.16 2.02 -1.71 -1.32 112.91 117.01 1nqa h THR 151 Ca 0.18 -1.20 -0.04 0.00 0.77 0.00 0.00 66.41 66.12 1nqa h THR 151 Cb 0.15 1.37 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1nqa h THR 151 CO -0.02 0.38 -0.18 0.78 0.37 0.00 0.00 175.52 176.84 1nqa h ASN 152 N 0.34 0.00 0.24 4.18 4.21 -0.88 0.13 115.58 123.80 1nqa h ASN 152 Ca 0.05 0.00 -0.34 0.00 1.21 0.00 0.00 56.30 57.22 1nqa h ASN 152 Cb 0.62 0.00 0.01 0.00 -1.12 0.00 0.00 38.32 37.83 1nqa h ASN 152 CO 0.04 0.18 -1.68 0.00 -1.29 0.00 0.00 177.43 174.69 1nqa h LEU 154 N 0.11 0.01 -0.70 0.00 5.85 -1.13 -3.39 115.31 116.06 1nqa h LEU 154 Ca -0.32 -0.92 0.15 0.00 0.84 0.00 0.00 57.88 57.63 1nqa h LEU 154 Cb 2.10 -0.00 -0.13 0.00 0.37 0.00 0.00 40.66 43.00 1nqa h LEU 154 CO 0.19 0.92 -0.12 0.00 -0.34 0.00 0.00 178.44 179.10 1nqa h ALA 155 N 0.08 0.55 -0.16 1.25 0.00 -1.19 -1.06 119.26 118.74 1nqa h ALA 155 Ca -0.00 0.26 0.04 0.00 0.00 0.00 0.00 54.91 55.21 1nqa h ALA 155 Cb 0.92 0.49 -0.05 0.00 0.00 0.00 0.00 17.79 19.15 1nqa h ALA 155 CO 0.00 -0.42 -0.12 -1.35 0.00 0.00 0.00 179.25 177.36 1nqa h PRO 156 N 0.03 -0.12 0.00 0.00 0.11 -1.75 -0.83 132.00 129.45 1nqa h PRO 156 Ca 0.35 0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.47 1nqa h PRO 156 Cb 0.56 0.03 0.00 0.00 0.11 0.00 0.00 31.00 31.70 1nqa h PRO 156 CO -0.69 -0.08 -0.27 0.27 -0.21 0.00 0.00 178.00 177.02 1nqa h PHE 157 N -0.13 0.00 0.00 0.65 -5.15 -1.69 -2.98 116.94 107.64 1nqa h PHE 157 Ca 0.10 0.00 -0.14 0.00 -0.20 0.00 0.00 57.97 57.73 1nqa h PHE 157 Cb 0.28 0.00 -0.02 0.00 0.22 0.00 0.00 35.95 36.43 1nqa h PHE 157 CO -0.26 0.00 -0.66 0.00 -2.00 0.00 0.00 178.31 175.39 1nqa h ALA 158 N 2.32 0.89 -0.30 12.09 0.00 -0.96 -1.81 119.26 131.49 1nqa h ALA 158 Ca 0.00 -0.60 -0.03 0.00 0.00 0.00 0.00 54.91 54.28 1nqa h ALA 158 Cb 0.84 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.51 1nqa h ALA 158 CO 0.00 0.83 0.07 -0.22 0.00 0.00 0.00 179.25 179.93 1nqa h LYS 159 N 0.00 0.48 -0.30 0.00 3.64 -1.00 -1.58 116.57 117.81 1nqa h LYS 159 Ca -0.01 -0.12 -0.05 0.00 -1.27 0.00 0.00 60.65 59.21 1nqa h LYS 159 Cb 1.19 -0.06 -0.01 0.00 -0.41 0.00 0.00 32.23 32.93 1nqa h LYS 159 CO 0.09 0.56 0.01 0.28 -2.27 0.00 0.00 179.45 178.11 1nqa h VAL 160 N 0.32 1.25 -0.76 2.00 2.07 -1.44 -1.80 116.25 117.90 1nqa h VAL 160 Ca 0.09 -0.92 -0.03 0.00 0.82 0.00 0.00 66.70 66.66 1nqa h VAL 160 Cb 0.29 1.26 -0.04 0.00 -1.52 0.00 0.00 31.29 31.29 1nqa h VAL 160 CO 0.00 0.30 0.36 -0.07 0.02 0.00 0.00 177.57 178.18 1nqa h LEU 161 N 0.32 0.98 -0.16 2.57 3.38 -1.29 -1.85 115.31 119.25 1nqa h LEU 161 Ca 0.09 -0.11 -0.09 0.00 0.09 0.00 0.00 57.88 57.86 1nqa h LEU 161 Cb 0.42 -0.25 -0.00 0.00 0.09 0.00 0.00 40.66 40.92 1nqa h LEU 161 CO 0.01 0.83 -0.25 -0.74 0.09 0.00 0.00 178.44 178.38 1nqa h HIS 162 N 1.07 0.57 -0.72 1.13 2.76 -1.20 0.03 115.15 118.79 1nqa h HIS 162 Ca 0.26 -0.19 -0.04 0.00 -2.20 0.00 0.00 60.37 58.20 1nqa h HIS 162 Cb 0.11 -0.11 -0.03 0.00 1.55 0.00 0.00 27.41 28.92 1nqa h HIS 162 CO 0.01 0.88 0.28 0.93 -1.30 0.00 0.00 177.93 178.73 1nqa h GLU 163 N 0.09 1.09 0.03 5.26 5.08 -1.21 0.16 114.58 125.08 1nqa h GLU 163 Ca 0.02 -0.20 -0.29 0.00 -1.00 0.00 0.00 59.36 57.88 1nqa h GLU 163 Cb 0.82 -0.17 -0.04 0.00 0.50 0.00 0.00 28.75 29.86 1nqa h GLU 163 CO 0.06 0.90 -1.64 1.96 -1.00 0.00 0.00 179.01 179.29 1nqa h GLN 164 N 1.04 0.06 0.00 2.33 1.08 -1.40 -3.42 115.11 114.80 1nqa h GLN 164 Ca 0.24 -0.10 0.00 0.00 -1.45 0.00 0.00 58.65 57.34 1nqa h GLN 164 Cb 0.22 0.04 0.00 0.00 -0.05 0.00 0.00 27.48 27.69 1nqa h GLN 164 CO -0.02 0.70 -0.45 1.19 -0.95 0.00 0.00 178.83 179.30 1nqa n PHE 165 N -3.18 0.00 -0.76 2.96 3.72 -0.11 -4.97 117.46 115.13 1nqa n PHE 165 Ca -0.16 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.24 1nqa n PHE 165 Cb 1.04 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.58 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 1.25 -3.96 3.65 1.37 0.00 0.58 -1.71 105.19 106.37 1nqa n GLY 166 Ca 0.00 -0.69 -0.38 0.00 0.00 0.00 0.00 46.02 44.95 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 -0.17 5.21 -0.17 -0.61 1.01 -1.26 -0.49 121.20 124.73 1nqa s ILE 167 Ca 0.00 0.58 -0.26 0.00 0.00 0.00 0.00 60.65 60.98 1nqa s ILE 167 Cb 0.00 -3.68 -0.23 0.00 0.01 0.00 0.00 42.46 38.56 1nqa s ILE 167 CO 0.00 0.23 0.51 0.58 0.00 0.00 0.00 174.94 176.27 1nqa h VAL 168 N 5.15 1.39 -1.79 2.92 2.07 -1.31 -3.47 116.25 121.21 1nqa h VAL 168 Ca -0.35 -2.27 0.09 0.00 0.82 0.00 0.00 66.70 65.00 1nqa h VAL 168 Cb 1.16 2.85 -0.20 0.00 -1.52 0.00 0.00 31.29 33.58 1nqa h VAL 168 CO 0.68 0.47 0.53 0.00 0.02 0.00 0.00 177.57 179.28 1nqa s ARG 169 N -2.29 0.66 0.10 1.57 1.70 -1.22 -4.82 118.95 114.66 1nqa s ARG 169 Ca -0.24 0.00 -0.25 0.00 -0.47 0.00 0.00 55.73 54.77 1nqa s ARG 169 Cb 0.01 0.31 0.08 0.00 -0.57 0.00 0.00 34.95 34.78 1nqa s ARG 169 CO 0.65 -0.24 0.76 0.20 -1.08 0.00 0.00 175.30 175.59 1nqa s GLY 170 N -1.58 -0.48 0.04 3.88 0.00 -0.30 -0.26 107.32 108.62 1nqa s GLY 170 Ca 0.01 0.60 0.04 0.00 0.00 0.00 0.00 44.72 45.36 1nqa s GLY 170 CO -0.02 0.20 -0.11 1.06 0.00 0.00 0.00 173.10 174.23 1nqa s MET 171 N -3.46 0.72 0.16 2.90 -1.94 -0.21 -2.61 119.30 114.86 1nqa s MET 171 Ca 0.05 -0.68 0.04 0.00 -1.71 0.00 0.00 55.69 53.38 1nqa s MET 171 Cb -0.01 -0.65 -0.05 0.00 2.01 0.00 0.00 34.83 36.13 1nqa s MET 171 CO -0.08 0.15 -0.08 0.00 -0.01 0.00 0.00 175.02 175.01 1nqa s MET 172 N -1.16 1.08 -0.01 2.03 0.23 -0.50 -1.15 119.30 119.83 1nqa s MET 172 Ca -0.02 -1.48 0.00 0.00 -1.03 0.00 0.00 55.69 53.16 1nqa s MET 172 Cb -0.08 -0.56 0.01 0.00 -1.53 0.00 0.00 34.83 32.68 1nqa s MET 172 CO 0.01 0.03 0.00 0.99 -2.03 0.00 0.00 175.02 174.02 1nqa s THR 173 N -3.39 0.08 -0.20 3.16 2.01 -0.63 -1.63 115.64 115.04 1nqa s THR 173 Ca 0.18 0.04 -0.01 0.00 0.31 0.00 0.00 61.69 62.21 1nqa s THR 173 Cb 0.03 -0.14 0.01 0.00 0.01 0.00 0.00 72.50 72.42 1nqa s THR 173 CO 0.01 0.07 -0.11 0.28 -0.69 0.00 0.00 174.62 174.18 1nqa s THR 174 N 0.49 2.74 -0.54 -0.82 -1.32 -0.83 -0.59 115.64 114.77 1nqa s THR 174 Ca -0.04 -0.74 -0.24 0.00 -1.21 0.00 0.00 61.69 59.45 1nqa s THR 174 Cb -0.07 -2.23 0.04 0.00 -1.51 0.00 0.00 72.50 68.74 1nqa s THR 174 CO -0.01 0.45 0.94 -0.69 -2.21 0.00 0.00 174.62 173.11 1nqa s VAL 175 N 1.38 4.39 -0.03 5.08 1.01 -0.49 -0.93 120.40 130.80 1nqa s VAL 175 Ca 0.05 0.34 0.04 0.00 0.00 0.00 0.00 61.98 62.41 1nqa s VAL 175 Cb -0.14 -4.53 -0.03 0.00 0.00 0.00 0.00 36.38 31.68 1nqa s VAL 175 CO -0.08 -1.09 -0.14 -2.28 0.00 0.00 0.00 175.10 171.52 1nqa s HIS 176 N 3.95 2.71 0.74 5.22 5.04 -0.15 -1.56 115.29 131.24 1nqa s HIS 176 Ca 0.31 -0.15 -0.14 0.00 -1.54 0.00 0.00 55.06 53.55 1nqa s HIS 176 Cb -0.12 -1.61 0.04 0.00 0.04 0.00 0.00 32.58 30.93 1nqa s HIS 176 CO 0.20 0.22 1.16 -1.12 -2.34 0.00 0.00 174.74 172.86 1nqa s SER 177 N -0.90 4.35 0.75 9.88 0.01 -1.24 -0.99 113.70 125.57 1nqa s SER 177 Ca 0.13 2.17 -0.11 0.00 1.31 0.00 0.00 55.95 59.44 1nqa s SER 177 Cb -0.11 -2.57 0.04 0.00 0.21 0.00 0.00 66.02 63.60 1nqa s SER 177 CO 0.02 -2.15 1.08 -0.72 0.41 0.00 0.00 173.24 171.88 1nqa s TYR 178 N -2.28 2.77 0.39 2.43 -0.85 -0.72 -4.74 117.35 114.36 1nqa s TYR 178 Ca 0.70 1.47 0.06 0.00 -0.52 0.00 0.00 57.07 58.77 1nqa s TYR 178 Cb -0.24 -3.00 -0.02 0.00 0.38 0.00 0.00 41.96 39.08 1nqa s TYR 178 CO 0.47 -1.63 0.20 0.95 -1.52 0.00 0.00 175.55 174.02 1nqa s THR 179 N -2.97 0.30 -1.50 -3.49 -4.23 -1.26 -4.75 115.64 97.74 1nqa s THR 179 Ca 0.60 -2.00 0.17 0.00 -1.18 0.00 0.00 61.69 59.28 1nqa s THR 179 Cb -0.16 -2.36 0.33 0.00 1.34 0.00 0.00 72.50 71.65 1nqa s THR 179 CO 0.56 0.00 1.51 0.59 -0.54 0.00 0.00 174.62 176.73 1nqa n ASN 180 N -1.53 0.00 0.00 3.99 3.02 -1.26 -2.11 115.26 117.37 1nqa n ASN 180 Ca -0.01 -0.04 0.13 0.00 -0.03 0.00 0.00 54.58 54.64 1nqa n ASN 180 Cb 0.64 -0.25 0.49 0.00 -0.61 0.00 0.00 39.78 40.05 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 -1.25 0.17 -2.52 6.41 2.03 -1.26 -4.86 116.55 115.28 1nqa n ASP 181 Ca 0.09 0.25 -0.05 0.00 0.52 0.00 0.00 54.79 55.59 1nqa n ASP 181 Cb 0.13 -0.25 0.03 0.00 -0.72 0.00 0.00 41.12 40.31 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 -1.50 0.32 -4.35 -0.67 6.02 -0.90 -4.98 117.38 111.32 1nqa n GLN 182 Ca 0.06 -0.55 -0.23 0.00 -0.01 0.00 0.00 57.00 56.27 1nqa n GLN 182 Cb 0.34 -0.17 -0.13 0.00 1.02 0.00 0.00 30.24 31.30 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 -3.09 1.12 -0.03 -1.09 1.81 -1.16 -5.02 118.95 111.49 1nqa s ARG 183 Ca 0.14 -1.05 -0.23 0.00 -1.72 0.00 0.00 55.73 52.88 1nqa s ARG 183 Cb -0.01 -1.29 -0.16 0.00 -0.45 0.00 0.00 34.95 33.04 1nqa s ARG 183 CO 0.10 0.31 1.02 0.82 -0.68 0.00 0.00 175.30 176.86 1nqa h ILE 184 N 4.21 0.81 -2.75 1.52 2.04 -1.89 -1.15 117.51 120.29 1nqa h ILE 184 Ca -0.44 -0.94 -0.54 0.00 1.00 0.00 0.00 64.86 63.94 1nqa h ILE 184 Cb 1.18 1.30 -0.40 0.00 -0.74 0.00 0.00 36.82 38.16 1nqa h ILE 184 CO 0.41 0.18 -0.79 -0.76 0.00 0.00 0.00 178.15 177.19 1nqa s LEU 185 N -9.18 0.65 -0.08 1.44 1.43 -1.26 -3.91 118.68 107.78 1nqa s LEU 185 Ca -0.13 -1.48 -0.07 0.00 -1.03 0.00 0.00 54.13 51.42 1nqa s LEU 185 Cb 0.01 -0.37 0.01 0.00 0.03 0.00 0.00 46.19 45.88 1nqa s LEU 185 CO 0.51 -0.41 0.11 0.47 0.23 0.00 0.00 176.35 177.26 1nqa n ASP 186 N 4.99 -2.68 -4.38 2.29 9.92 -1.17 -4.86 116.55 120.66 1nqa n ASP 186 Ca -0.02 0.08 -0.20 0.00 -0.53 0.00 0.00 54.79 54.12 1nqa n ASP 186 Cb 0.41 -0.69 -0.10 0.00 -0.64 0.00 0.00 41.12 40.10 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 -0.68 2.55 0.34 0.64 1.43 -0.11 -4.99 118.68 117.86 1nqa s LEU 187 Ca 0.07 -1.05 -0.28 0.00 -1.03 0.00 0.00 54.13 51.84 1nqa s LEU 187 Cb -0.01 -0.72 -0.12 0.00 0.03 0.00 0.00 46.19 45.37 1nqa s LEU 187 CO 0.15 -0.17 1.32 -2.65 0.23 0.00 0.00 176.35 175.23 1nqa n PRO 188 N -0.44 2.20 -3.60 1.29 -0.02 -1.26 -4.47 135.00 128.70 1nqa n PRO 188 Ca -0.07 0.77 -0.16 0.00 -2.02 0.00 0.00 63.50 62.02 1nqa n PRO 188 Cb 0.61 -2.38 -0.07 0.00 -0.02 0.00 0.00 33.50 31.64 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 -1.02 -0.67 0.42 6.00 2.46 -1.26 -4.92 115.29 116.30 1nqa s HIS 190 Ca 0.56 1.40 0.08 0.00 0.47 0.00 0.00 55.06 57.57 1nqa s HIS 190 Cb -0.56 0.31 0.90 0.00 -0.13 0.00 0.00 32.58 33.10 1nqa s HIS 190 CO 0.61 -0.47 2.07 0.87 -2.47 0.00 0.00 174.74 175.35 1nqa h LYS 191 N 4.08 0.48 -4.86 2.88 1.57 -1.98 -3.34 116.57 115.40 1nqa h LYS 191 Ca -0.28 -0.03 -0.69 0.00 -1.87 0.00 0.00 60.65 57.78 1nqa h LYS 191 Cb 1.15 -0.11 -0.19 0.00 0.08 0.00 0.00 32.23 33.17 1nqa h LYS 191 CO 0.24 0.32 -0.15 0.34 -0.57 0.00 0.00 179.45 179.64 1nqa s ASP 192 N -6.73 6.20 0.32 0.86 -1.08 -1.26 -4.94 116.67 110.05 1nqa s ASP 192 Ca -0.08 -0.77 0.23 0.00 -0.52 0.00 0.00 52.55 51.40 1nqa s ASP 192 Cb 0.17 -2.24 1.17 0.00 -1.46 0.00 0.00 42.92 40.56 1nqa s ASP 192 CO 0.73 -0.67 1.69 0.18 0.52 0.00 0.00 175.17 177.62 1nqa n LEU 193 N 5.72 0.60 -0.01 -1.34 4.77 -1.26 -1.76 117.00 123.72 1nqa n LEU 193 Ca -0.07 0.75 -0.18 0.00 -0.03 0.00 0.00 56.01 56.48 1nqa n LEU 193 Cb 0.47 -0.79 -0.14 0.00 -2.33 0.00 0.00 43.42 40.62 1nqa n LEU 193 CO 0.48 -0.89 0.05 0.03 -1.33 0.00 0.00 177.39 175.73 1nqa h ARG 194 N 0.00 0.15 0.00 3.23 2.47 -1.92 -3.30 114.38 115.02 1nqa h ARG 194 Ca 0.00 -0.26 0.00 0.00 -1.26 0.00 0.00 59.98 58.46 1nqa h ARG 194 Cb 0.07 0.10 0.00 0.00 -1.65 0.00 0.00 29.97 28.49 1nqa h ARG 194 CO 0.00 1.13 0.00 0.54 0.56 0.00 0.00 179.97 182.20 1nqa n ARG 195 N -4.30 0.04 0.23 0.04 1.74 -0.72 -1.93 116.66 111.75 1nqa n ARG 195 Ca -0.16 0.28 0.12 0.00 -0.77 0.00 0.00 57.85 57.32 1nqa n ARG 195 Cb 0.70 -1.50 0.35 0.00 -1.02 0.00 0.00 32.46 30.99 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 2.41 0.96 -2.36 7.54 0.00 -1.51 -3.08 119.26 123.22 1nqa h ALA 196 Ca 0.00 -0.10 -0.48 0.00 0.00 0.00 0.00 54.91 54.32 1nqa h ALA 196 Cb 0.17 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.91 1nqa h ALA 196 CO 0.00 0.14 0.23 1.03 0.00 0.00 0.00 179.25 180.65 1nqa s ARG 197 N -3.39 4.31 -0.57 0.00 1.81 -0.81 -0.94 118.95 119.36 1nqa s ARG 197 Ca 0.04 1.03 -0.38 0.00 -1.72 0.00 0.00 55.73 54.69 1nqa s ARG 197 Cb 0.07 -2.62 -0.18 0.00 -0.45 0.00 0.00 34.95 31.77 1nqa s ARG 197 CO 0.64 0.22 2.11 0.00 -0.68 0.00 0.00 175.30 177.59 1nqa n ALA 198 N 0.18 0.22 0.15 2.13 0.00 -1.26 -4.45 120.51 117.48 1nqa n ALA 198 Ca 0.02 0.08 0.04 0.00 0.00 0.00 0.00 53.44 53.58 1nqa n ALA 198 Cb 0.52 -1.98 0.44 0.00 0.00 0.00 0.00 19.45 18.43 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 9.02 1.60 -0.23 0.00 0.00 -1.32 -2.93 119.26 125.41 1nqa h ALA 199 Ca -0.08 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1nqa h ALA 199 Cb 1.30 -0.07 0.00 0.00 0.00 0.00 0.00 17.79 19.02 1nqa h ALA 199 CO 1.08 0.29 0.00 0.00 0.00 0.00 0.00 179.25 180.62 1nqa n ALA 200 N -2.50 2.49 0.33 0.00 0.00 -1.26 -4.04 120.51 115.53 1nqa n ALA 200 Ca -0.01 -0.66 0.03 0.00 0.00 0.00 0.00 53.44 52.80 1nqa n ALA 200 Cb 0.23 -1.02 -0.04 0.00 0.00 0.00 0.00 19.45 18.63 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 0.67 4.40 -4.03 0.00 -0.58 -1.11 -4.78 120.64 115.22 1nqa n GLU 201 Ca 0.17 -0.06 -0.10 0.00 -0.42 0.00 0.00 57.16 56.75 1nqa n GLU 201 Cb 0.41 -0.85 -0.08 0.00 -0.57 0.00 0.00 31.44 30.35 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 -1.60 0.07 -0.25 1.62 0.01 -1.23 -5.07 113.70 107.25 1nqa s SER 202 Ca 0.03 -1.01 -0.18 0.00 1.31 0.00 0.00 55.95 56.10 1nqa s SER 202 Cb 0.05 0.43 -0.03 0.00 0.21 0.00 0.00 66.02 66.69 1nqa s SER 202 CO 0.28 -0.90 0.53 -0.63 0.41 0.00 0.00 173.24 172.93 1nqa s ILE 203 N -4.02 5.06 -0.33 1.44 1.01 -1.26 -4.25 121.20 118.85 1nqa s ILE 203 Ca 0.22 0.92 0.03 0.00 0.00 0.00 0.00 60.65 61.82 1nqa s ILE 203 Cb 0.04 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.75 1nqa s ILE 203 CO 0.04 0.09 0.02 -0.63 0.00 0.00 0.00 174.94 174.46 1nqa s ILE 204 N 2.26 2.41 0.48 2.92 1.01 0.48 -4.95 121.20 125.82 1nqa s ILE 204 Ca 0.22 -2.08 -0.23 0.00 0.00 0.00 0.00 60.65 58.56 1nqa s ILE 204 Cb -0.16 -2.65 -0.07 0.00 0.01 0.00 0.00 42.46 39.59 1nqa s ILE 204 CO 0.09 -0.44 1.30 -2.84 0.00 0.00 0.00 174.94 173.05 1nqa s PRO 205 N 1.00 3.55 0.03 2.79 0.02 -1.26 -1.13 135.00 139.99 1nqa s PRO 205 Ca 0.05 2.11 -0.28 0.00 0.02 0.00 0.00 61.00 62.90 1nqa s PRO 205 Cb -0.20 -2.45 0.07 0.00 0.02 0.00 0.00 34.50 31.94 1nqa s PRO 205 CO -0.06 -0.83 0.64 -0.08 -0.33 0.00 0.00 177.00 176.34 1nqa s THR 206 N -1.35 0.00 0.83 0.99 -1.32 -0.15 -4.78 115.64 109.86 1nqa s THR 206 Ca 0.65 -0.01 -0.11 0.00 -1.21 0.00 0.00 61.69 61.00 1nqa s THR 206 Cb -0.37 -1.00 0.09 0.00 -1.51 0.00 0.00 72.50 69.71 1nqa s THR 206 CO 0.45 -0.01 1.09 0.42 -2.21 0.00 0.00 174.62 174.37 1nqa s THR 207 N -2.18 2.95 -0.20 5.08 -4.23 -1.26 -0.51 115.64 115.30 1nqa s THR 207 Ca -0.06 0.31 -0.18 0.00 -1.18 0.00 0.00 61.69 60.57 1nqa s THR 207 Cb -0.00 -2.95 0.05 0.00 1.34 0.00 0.00 72.50 70.94 1nqa s THR 207 CO 0.01 -0.40 0.53 0.28 -0.54 0.00 0.00 174.62 174.50 1nqa s THR 208 N -3.06 -0.00 -1.42 3.99 -1.32 -1.26 -4.55 115.64 108.01 1nqa s THR 208 Ca 0.62 0.00 0.18 0.00 -1.21 0.00 0.00 61.69 61.28 1nqa s THR 208 Cb -0.16 -0.75 0.56 0.00 -1.51 0.00 0.00 72.50 70.65 1nqa s THR 208 CO 0.55 0.00 1.48 0.61 -2.21 0.00 0.00 174.62 175.05 1nqa n GLY 209 N 2.83 2.70 0.20 6.08 0.00 -1.26 -4.58 105.19 111.17 1nqa n GLY 209 Ca -0.14 -0.70 -0.07 0.00 0.00 0.00 0.00 46.02 45.11 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 3.51 0.62 -0.73 4.61 0.00 -1.96 0.23 119.26 125.55 1nqa h ALA 210 Ca 0.00 -0.03 -0.02 0.00 0.00 0.00 0.00 54.91 54.86 1nqa h ALA 210 Cb 1.04 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 1nqa h ALA 210 CO 0.06 0.06 0.38 0.00 0.00 0.00 0.00 179.25 179.75 1nqa h ALA 211 N 1.18 0.94 0.00 0.00 0.00 -1.91 -2.53 119.26 116.94 1nqa h ALA 211 Ca 0.18 -0.13 -0.16 0.00 0.00 0.00 0.00 54.91 54.80 1nqa h ALA 211 Cb -0.07 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.40 1nqa h ALA 211 CO -0.04 0.47 -0.78 0.87 0.00 0.00 0.00 179.25 179.77 1nqa h LYS 212 N 1.01 0.00 0.00 0.00 1.57 -1.70 -3.13 116.57 114.32 1nqa h LYS 212 Ca 0.25 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 59.03 1nqa h LYS 212 Cb 0.06 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.37 1nqa h LYS 212 CO -0.04 0.78 0.00 0.00 -0.57 0.00 0.00 179.45 179.62 1nqa h ALA 213 N 1.22 1.00 0.00 3.86 0.00 -0.13 -2.18 119.26 123.04 1nqa h ALA 213 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1nqa h ALA 213 Cb 1.48 0.00 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1nqa h ALA 213 CO 0.10 0.00 -0.09 0.28 0.00 0.00 0.00 179.25 179.54 1nqa h VAL 214 N 0.00 0.52 0.00 0.00 2.07 -1.42 -1.84 116.25 115.58 1nqa h VAL 214 Ca 0.00 -0.43 -0.04 0.00 0.82 0.00 0.00 66.70 67.05 1nqa h VAL 214 Cb 0.30 1.28 -0.01 0.00 -1.52 0.00 0.00 31.29 31.35 1nqa h VAL 214 CO 0.00 0.09 -0.21 0.00 0.02 0.00 0.00 177.57 177.47 1nqa h ALA 215 N 1.91 1.27 0.00 1.67 0.00 -1.57 0.18 119.26 122.72 1nqa h ALA 215 Ca -0.00 -0.19 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1nqa h ALA 215 Cb 0.27 -0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.02 1nqa h ALA 215 CO 0.01 0.26 -0.23 -0.07 0.00 0.00 0.00 179.25 179.23 1nqa h LEU 216 N 0.00 0.00 -0.28 0.00 3.38 -1.52 -2.06 115.31 114.83 1nqa h LEU 216 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1nqa h LEU 216 Cb 0.50 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.25 1nqa h LEU 216 CO 0.03 0.23 -0.27 1.33 0.09 0.00 0.00 178.44 179.84 1nqa n VAL 217 N -3.50 0.00 -3.07 1.22 0.24 -0.89 -4.77 118.33 107.56 1nqa n VAL 217 Ca -0.01 -0.36 -0.18 0.00 -2.04 0.00 0.00 64.34 61.75 1nqa n VAL 217 Cb 0.39 1.04 -0.04 0.00 -1.47 0.00 0.00 33.84 33.76 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 -0.83 -1.22 -0.40 1.34 4.77 0.58 -4.66 117.00 116.58 1nqa n LEU 218 Ca 0.02 -4.04 0.34 0.00 -0.03 0.00 0.00 56.01 52.30 1nqa n LEU 218 Cb 0.13 0.68 0.66 0.00 -2.33 0.00 0.00 43.42 42.57 1nqa n LEU 218 CO 0.13 1.99 1.29 -0.65 -1.33 0.00 0.00 177.39 178.82 1nqa h PRO 219 N 4.50 0.13 0.00 3.23 0.11 -1.60 0.32 132.00 138.69 1nqa h PRO 219 Ca 0.06 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 66.16 1nqa h PRO 219 Cb 0.95 -0.03 0.00 0.00 0.11 0.00 0.00 31.00 32.03 1nqa h PRO 219 CO 0.35 0.09 0.00 0.93 -0.21 0.00 0.00 178.00 179.16 1nqa h GLU 220 N 0.14 0.00 -0.58 1.05 5.08 -1.94 -1.52 114.58 116.81 1nqa h GLU 220 Ca 0.69 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 59.05 1nqa h GLU 220 Cb 2.32 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.57 1nqa h GLU 220 CO -0.20 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.09 1nqa n LEU 221 N -2.90 3.36 -4.69 1.33 4.77 0.10 -4.92 117.00 114.05 1nqa n LEU 221 Ca -0.02 -1.63 -0.44 0.00 -0.03 0.00 0.00 56.01 53.89 1nqa n LEU 221 Cb 0.12 -0.38 -0.04 0.00 -2.33 0.00 0.00 43.42 40.79 1nqa n LEU 221 CO 0.20 0.81 1.33 1.17 -1.33 0.00 0.00 177.39 179.57 1nqa n LYS 222 N 1.35 2.44 -0.91 3.23 4.81 -0.57 -1.19 118.16 127.33 1nqa n LYS 222 Ca 0.21 0.88 0.00 0.00 -0.87 0.00 0.00 58.31 58.53 1nqa n LYS 222 Cb 0.54 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 32.89 1nqa n LYS 222 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqa n GLY 223 N 3.83 0.53 0.02 3.14 0.00 -1.26 -4.85 105.19 106.59 1nqa n GLY 223 Ca 0.18 0.00 0.11 0.00 0.00 0.00 0.00 46.02 46.30 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 -1.87 0.44 -4.32 1.61 5.02 -0.33 -4.99 118.16 113.71 1nqa n LYS 224 Ca 0.00 -0.10 -0.20 0.00 -2.02 0.00 0.00 58.31 55.99 1nqa n LYS 224 Cb 0.07 -1.55 -0.11 0.00 -0.02 0.00 0.00 35.03 33.42 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 -4.12 2.48 0.05 -0.35 1.43 -1.25 -1.15 118.68 115.76 1nqa s LEU 225 Ca -0.02 -0.91 -0.27 0.00 -1.03 0.00 0.00 54.13 51.91 1nqa s LEU 225 Cb 0.14 -0.73 0.09 0.00 0.03 0.00 0.00 46.19 45.72 1nqa s LEU 225 CO 0.87 -0.10 0.75 0.21 0.23 0.00 0.00 176.35 178.32 1nqa s ASN 226 N -2.86 -0.48 0.04 2.29 3.84 -1.07 -4.28 114.94 112.42 1nqa s ASN 226 Ca 0.17 0.10 -0.08 0.00 0.21 0.00 0.00 52.86 53.26 1nqa s ASN 226 Cb -0.04 0.49 0.03 0.00 -0.55 0.00 0.00 41.25 41.18 1nqa s ASN 226 CO 0.06 -0.75 0.38 0.61 -2.79 0.00 0.00 177.10 174.61 1nqa n GLY 227 N -0.13 0.89 3.45 1.21 0.00 -1.26 -1.40 105.19 107.95 1nqa n GLY 227 Ca -0.13 -0.97 -0.16 0.00 0.00 0.00 0.00 46.02 44.75 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 -2.01 1.96 0.15 1.61 0.23 -0.65 -4.36 119.30 116.22 1nqa s MET 228 Ca 0.09 -1.87 0.05 0.00 -1.03 0.00 0.00 55.69 52.93 1nqa s MET 228 Cb -0.01 0.42 -0.04 0.00 -1.53 0.00 0.00 34.83 33.67 1nqa s MET 228 CO 0.01 -0.80 -0.12 0.00 -2.03 0.00 0.00 175.02 172.08 1nqa s ALA 229 N -2.98 1.55 -0.25 3.16 0.00 0.34 -1.96 121.76 121.61 1nqa s ALA 229 Ca 0.33 -1.44 -0.03 0.00 0.00 0.00 0.00 51.96 50.81 1nqa s ALA 229 Cb -0.00 -0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.18 1nqa s ALA 229 CO 0.24 0.00 0.10 -1.64 0.00 0.00 0.00 175.76 174.46 1nqa s MET 230 N -3.33 0.33 -0.02 0.00 -1.94 -0.11 -0.97 119.30 113.26 1nqa s MET 230 Ca 0.15 -0.51 -0.30 0.00 -1.71 0.00 0.00 55.69 53.31 1nqa s MET 230 Cb -0.01 -1.61 -0.03 0.00 2.01 0.00 0.00 34.83 35.19 1nqa s MET 230 CO 0.02 -0.88 1.06 1.03 -0.01 0.00 0.00 175.02 176.24 1nqa s ARG 231 N 1.98 4.48 0.31 2.03 1.81 -0.28 -0.98 118.95 128.30 1nqa s ARG 231 Ca 0.06 1.51 0.07 0.00 -1.72 0.00 0.00 55.73 55.65 1nqa s ARG 231 Cb -0.16 -3.47 -0.06 0.00 -0.45 0.00 0.00 34.95 30.80 1nqa s ARG 231 CO -0.24 -0.20 -0.04 0.14 -0.68 0.00 0.00 175.30 174.28 1nqa s VAL 232 N 1.40 1.72 -0.01 3.52 -7.23 -0.16 -0.38 120.40 119.26 1nqa s VAL 232 Ca 0.53 -2.11 -0.01 0.00 -1.81 0.00 0.00 61.98 58.58 1nqa s VAL 232 Cb -0.22 -2.60 -0.06 0.00 0.56 0.00 0.00 36.38 34.05 1nqa s VAL 232 CO 0.25 -0.20 1.27 -2.65 -0.31 0.00 0.00 175.10 173.46 1nqa n PRO 233 N -0.68 0.50 -4.73 4.82 -0.02 -1.26 -3.16 135.00 130.48 1nqa n PRO 233 Ca -0.05 -0.26 -0.25 0.00 -2.02 0.00 0.00 63.50 60.93 1nqa n PRO 233 Cb 0.64 -1.64 -0.15 0.00 -0.02 0.00 0.00 33.50 32.34 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 2.56 1.45 0.13 3.45 -4.23 -1.26 -5.02 115.64 112.73 1nqa s THR 234 Ca 0.16 -0.93 0.12 0.00 -1.18 0.00 0.00 61.69 59.87 1nqa s THR 234 Cb 0.08 -1.24 -0.02 0.00 1.34 0.00 0.00 72.50 72.65 1nqa s THR 234 CO -0.00 0.29 1.52 1.55 -0.54 0.00 0.00 174.62 177.44 1nqa h PRO 235 N 5.34 0.00 -2.95 3.99 0.13 -1.87 -1.91 132.00 134.73 1nqa h PRO 235 Ca -0.39 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.71 1nqa h PRO 235 Cb 1.16 0.00 -0.13 0.00 0.13 0.00 0.00 31.00 32.15 1nqa h PRO 235 CO 0.46 0.65 0.13 1.21 -0.23 0.00 0.00 178.00 180.22 1nqa s ASN 236 N -6.64 -0.50 0.00 1.44 2.47 -1.26 -4.65 114.94 105.80 1nqa s ASN 236 Ca 0.01 0.03 0.00 0.00 0.42 0.00 0.00 52.86 53.32 1nqa s ASN 236 Cb 0.11 0.56 0.00 0.00 -1.45 0.00 0.00 41.25 40.46 1nqa s ASN 236 CO 0.76 -0.88 0.00 0.52 -3.72 0.00 0.00 177.10 173.78 1nqa n VAL 237 N -0.12 -0.65 -4.38 -5.21 0.31 -1.26 -4.88 118.33 102.14 1nqa n VAL 237 Ca -0.17 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 63.95 1nqa n VAL 237 Cb 0.63 -0.57 -0.09 0.00 -0.91 0.00 0.00 33.84 32.91 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 -0.74 1.93 -0.14 4.52 0.01 0.72 -3.65 113.70 116.36 1nqa s SER 238 Ca 0.00 -1.63 -0.10 0.00 1.31 0.00 0.00 55.95 55.53 1nqa s SER 238 Cb 0.00 0.45 0.04 0.00 0.21 0.00 0.00 66.02 66.72 1nqa s SER 238 CO 0.00 -0.93 0.35 0.54 0.41 0.00 0.00 173.24 173.61 1nqa s VAL 239 N -3.46 -0.01 -0.12 3.43 0.11 -0.60 -1.41 120.40 118.34 1nqa s VAL 239 Ca 0.33 0.05 -0.12 0.00 -2.93 0.00 0.00 61.98 59.32 1nqa s VAL 239 Cb 0.04 -0.50 -0.05 0.00 -1.53 0.00 0.00 36.38 34.34 1nqa s VAL 239 CO 0.19 0.02 0.26 -0.69 -3.33 0.00 0.00 175.10 171.55 1nqa s VAL 240 N 0.73 5.31 -0.32 2.04 1.01 0.24 -1.40 120.40 128.01 1nqa s VAL 240 Ca -0.04 0.49 0.03 0.00 0.00 0.00 0.00 61.98 62.45 1nqa s VAL 240 Cb -0.06 -3.57 0.09 0.00 0.00 0.00 0.00 36.38 32.84 1nqa s VAL 240 CO -0.05 0.50 0.04 -0.62 0.00 0.00 0.00 175.10 174.97 1nqa s ASP 241 N -0.31 4.51 -0.18 3.32 2.15 0.25 -1.01 116.67 125.40 1nqa s ASP 241 Ca 0.17 -1.90 -0.06 0.00 0.43 0.00 0.00 52.55 51.19 1nqa s ASP 241 Cb -0.13 -1.42 -0.03 0.00 -0.30 0.00 0.00 42.92 41.03 1nqa s ASP 241 CO 0.06 -0.36 0.02 -0.22 -0.17 0.00 0.00 175.17 174.50 1nqa s LEU 242 N 1.11 3.54 -0.26 -1.34 2.96 -0.24 -1.60 118.68 122.85 1nqa s LEU 242 Ca 0.08 -0.03 0.00 0.00 -0.22 0.00 0.00 54.13 53.95 1nqa s LEU 242 Cb -0.19 -1.88 0.04 0.00 0.50 0.00 0.00 46.19 44.66 1nqa s LEU 242 CO -0.11 0.15 -0.07 -0.69 -1.32 0.00 0.00 176.35 174.31 1nqa s VAL 243 N 0.49 2.59 0.10 1.68 1.01 -0.30 -0.66 120.40 125.31 1nqa s VAL 243 Ca 0.00 -1.31 0.06 0.00 0.00 0.00 0.00 61.98 60.73 1nqa s VAL 243 Cb -0.13 -2.41 -0.03 0.00 0.00 0.00 0.00 36.38 33.80 1nqa s VAL 243 CO 0.02 0.08 -0.16 0.00 0.00 0.00 0.00 175.10 175.04 1nqa s ALA 244 N 1.23 1.47 -0.20 5.51 0.00 -0.33 -1.04 121.76 128.41 1nqa s ALA 244 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 51.96 50.60 1nqa s ALA 244 Cb -0.18 -0.12 -0.05 0.00 0.00 0.00 0.00 23.12 22.77 1nqa s ALA 244 CO -0.05 0.18 0.26 -1.21 0.00 0.00 0.00 175.76 174.95 1nqa s GLU 245 N -2.21 4.18 0.18 0.00 0.41 0.64 -1.27 118.70 120.62 1nqa s GLU 245 Ca 0.05 -0.01 0.04 0.00 -0.41 0.00 0.00 54.97 54.63 1nqa s GLU 245 Cb -0.08 -3.48 -0.03 0.00 -1.78 0.00 0.00 34.13 28.76 1nqa s GLU 245 CO 0.03 0.13 0.27 -0.51 -0.49 0.00 0.00 175.26 174.70 1nqa s LEU 246 N 0.81 4.22 0.01 1.80 1.02 -0.08 -0.86 118.68 125.61 1nqa s LEU 246 Ca 0.14 0.08 -0.18 0.00 0.02 0.00 0.00 54.13 54.19 1nqa s LEU 246 Cb -0.13 -2.79 -0.29 0.00 0.02 0.00 0.00 46.19 43.00 1nqa s LEU 246 CO 0.04 0.02 1.04 -0.08 0.02 0.00 0.00 176.35 177.40 1nqa h GLU 247 N 1.94 0.48 -6.52 1.70 4.81 -0.48 -3.45 114.58 113.05 1nqa h GLU 247 Ca -0.49 -0.65 -0.51 0.00 -0.13 0.00 0.00 59.36 57.58 1nqa h GLU 247 Cb 1.21 0.22 -0.01 0.00 0.63 0.00 0.00 28.75 30.80 1nqa h GLU 247 CO 0.66 1.27 -0.13 0.21 -0.73 0.00 0.00 179.01 180.29 1nqa s LYS 248 N -2.88 3.62 0.08 1.92 2.20 -0.69 -5.06 119.74 118.94 1nqa s LYS 248 Ca -0.12 0.00 -0.24 0.00 -0.36 0.00 0.00 55.97 55.26 1nqa s LYS 248 Cb 0.04 -2.63 -0.06 0.00 -1.51 0.00 0.00 37.83 33.66 1nqa s LYS 248 CO 0.88 0.19 0.73 -2.00 -0.36 0.00 0.00 175.35 174.78 1nqa s GLU 249 N -3.66 4.47 0.23 4.03 2.12 -1.26 -4.79 118.70 119.84 1nqa s GLU 249 Ca 0.44 1.03 0.00 0.00 0.36 0.00 0.00 54.97 56.81 1nqa s GLU 249 Cb -0.11 -3.31 -0.04 0.00 0.26 0.00 0.00 34.13 30.93 1nqa s GLU 249 CO 0.31 0.42 0.18 0.14 -0.54 0.00 0.00 175.26 175.77 1nqa s VAL 250 N -0.54 0.00 0.29 3.70 -7.23 0.51 -5.03 120.40 112.10 1nqa s VAL 250 Ca 0.36 -1.98 0.08 0.00 -1.81 0.00 0.00 61.98 58.63 1nqa s VAL 250 Cb -0.21 -2.49 -0.06 0.00 0.56 0.00 0.00 36.38 34.18 1nqa s VAL 250 CO 0.23 0.00 -0.09 0.42 -0.31 0.00 0.00 175.10 175.35 1nqa s THR 251 N -3.99 1.91 0.19 5.32 -4.23 -1.26 -4.33 115.64 109.24 1nqa s THR 251 Ca 0.39 -2.18 -0.12 0.00 -1.18 0.00 0.00 61.69 58.59 1nqa s THR 251 Cb 0.06 -2.46 0.10 0.00 1.34 0.00 0.00 72.50 71.53 1nqa s THR 251 CO 0.15 -0.30 1.82 0.58 -0.54 0.00 0.00 174.62 176.33 1nqa h VAL 252 N 2.22 1.05 -0.71 2.29 2.07 -1.93 -2.35 116.25 118.89 1nqa h VAL 252 Ca -0.40 -0.23 0.05 0.00 0.82 0.00 0.00 66.70 66.94 1nqa h VAL 252 Cb 1.24 0.32 -0.05 0.00 -1.52 0.00 0.00 31.29 31.27 1nqa h VAL 252 CO 0.67 0.12 0.41 -0.33 0.02 0.00 0.00 177.57 178.47 1nqa h GLU 253 N 0.67 0.75 -0.47 1.57 3.07 -1.97 -1.38 114.58 116.82 1nqa h GLU 253 Ca 0.24 -0.04 -0.03 0.00 -0.50 0.00 0.00 59.36 59.02 1nqa h GLU 253 Cb 0.04 -0.17 -0.02 0.00 -0.84 0.00 0.00 28.75 27.77 1nqa h GLU 253 CO -0.11 0.49 0.18 0.93 -1.40 0.00 0.00 179.01 179.10 1nqa h GLU 254 N 0.77 0.72 0.07 2.33 5.08 -1.87 0.13 114.58 121.81 1nqa h GLU 254 Ca 0.31 -0.14 -0.00 0.00 -1.00 0.00 0.00 59.36 58.53 1nqa h GLU 254 Cb 0.16 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1nqa h GLU 254 CO -0.17 0.66 -0.04 0.28 -1.00 0.00 0.00 179.01 178.74 1nqa h VAL 255 N 0.62 0.99 -0.70 3.13 2.07 -1.02 -1.46 116.25 119.88 1nqa h VAL 255 Ca 0.16 -0.21 -0.01 0.00 0.82 0.00 0.00 66.70 67.45 1nqa h VAL 255 Cb 0.22 1.13 -0.03 0.00 -1.52 0.00 0.00 31.29 31.09 1nqa h VAL 255 CO -0.01 0.05 0.39 0.78 0.02 0.00 0.00 177.57 178.80 1nqa h ASN 256 N -0.19 0.87 -0.58 0.57 -0.26 -1.19 -1.54 115.58 113.25 1nqa h ASN 256 Ca -0.01 -0.09 0.03 0.00 -0.56 0.00 0.00 56.30 55.67 1nqa h ASN 256 Cb 0.16 -0.22 -0.04 0.00 -1.06 0.00 0.00 38.32 37.16 1nqa h ASN 256 CO 0.02 0.71 0.34 0.00 -1.06 0.00 0.00 177.43 177.43 1nqa h ALA 257 N 1.20 0.75 -0.35 -0.83 0.00 -0.81 0.47 119.26 119.68 1nqa h ALA 257 Ca 0.25 -0.00 -0.11 0.00 0.00 0.00 0.00 54.91 55.04 1nqa h ALA 257 Cb 0.03 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nqa h ALA 257 CO -0.04 0.04 -0.23 0.00 0.00 0.00 0.00 179.25 179.02 1nqa h ALA 258 N 1.27 0.95 -0.38 0.00 0.00 -0.96 -1.61 119.26 118.53 1nqa h ALA 258 Ca 0.24 -0.36 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1nqa h ALA 258 Cb 0.06 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.70 1nqa h ALA 258 CO -0.12 0.61 -0.20 -0.07 0.00 0.00 0.00 179.25 179.47 1nqa h LEU 259 N 0.59 0.83 -0.67 0.00 3.38 -0.69 -2.47 115.31 116.28 1nqa h LEU 259 Ca 0.08 -0.41 -0.04 0.00 0.09 0.00 0.00 57.88 57.60 1nqa h LEU 259 Cb 0.71 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.20 1nqa h LEU 259 CO 0.05 1.06 0.25 0.50 0.09 0.00 0.00 178.44 180.39 1nqa h LYS 260 N 0.60 1.01 -0.89 1.13 3.64 -0.82 -1.89 116.57 119.35 1nqa h LYS 260 Ca 0.08 -0.20 -0.02 0.00 -1.27 0.00 0.00 60.65 59.25 1nqa h LYS 260 Cb 0.75 -0.16 -0.04 0.00 -0.41 0.00 0.00 32.23 32.37 1nqa h LYS 260 CO 0.06 0.86 0.48 0.00 -2.27 0.00 0.00 179.45 178.57 1nqa h ALA 261 N 1.11 1.15 -0.18 5.00 0.00 -1.18 -2.19 119.26 122.96 1nqa h ALA 261 Ca 0.22 -0.14 -0.13 0.00 0.00 0.00 0.00 54.91 54.86 1nqa h ALA 261 Cb 0.24 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1nqa h ALA 261 CO -0.01 0.67 -0.45 0.00 0.00 0.00 0.00 179.25 179.45 1nqa h ALA 262 N 1.26 0.88 -0.22 0.00 0.00 -1.21 -0.53 119.26 119.45 1nqa h ALA 262 Ca 0.31 -0.46 -0.06 0.00 0.00 0.00 0.00 54.91 54.70 1nqa h ALA 262 Cb 0.05 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 17.72 1nqa h ALA 262 CO -0.05 0.65 -0.14 0.00 0.00 0.00 0.00 179.25 179.71 1nqa h ALA 263 N 1.15 1.35 0.00 0.00 0.00 -0.83 0.11 119.26 121.04 1nqa h ALA 263 Ca 0.02 -0.25 -0.16 0.00 0.00 0.00 0.00 54.91 54.52 1nqa h ALA 263 Cb 0.94 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.59 1nqa h ALA 263 CO 0.08 0.44 -1.19 0.93 0.00 0.00 0.00 179.25 179.51 1nqa h GLU 264 N 0.35 0.00 0.00 0.00 5.08 -1.23 -2.98 114.58 115.80 1nqa h GLU 264 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1nqa h GLU 264 Cb 0.46 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1nqa h GLU 264 CO 0.03 0.40 0.00 0.41 -1.00 0.00 0.00 179.01 178.84 1nqa n GLY 265 N 1.36 0.34 0.32 -3.84 0.00 -0.22 -4.63 105.19 98.52 1nqa n GLY 265 Ca -0.07 0.00 0.14 0.00 0.00 0.00 0.00 46.02 46.09 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 0.39 -0.55 1.61 4.11 -1.79 -2.48 114.58 115.87 1nqa h GLU 266 Ca 0.00 -0.02 -0.11 0.00 0.07 0.00 0.00 59.36 59.29 1nqa h GLU 266 Cb 0.00 -0.09 -0.07 0.00 0.50 0.00 0.00 28.75 29.10 1nqa h GLU 266 CO 0.00 0.26 0.11 1.28 0.07 0.00 0.00 179.01 180.73 1nqa n LEU 267 N -5.04 5.30 -4.75 3.06 4.77 0.37 -4.99 117.00 115.72 1nqa n LEU 267 Ca 0.23 -3.16 -0.42 0.00 -0.03 0.00 0.00 56.01 52.63 1nqa n LEU 267 Cb 0.69 -0.67 -0.01 0.00 -2.33 0.00 0.00 43.42 41.09 1nqa n LEU 267 CO 0.13 0.78 1.21 1.17 -1.33 0.00 0.00 177.39 179.34 1nqa n LYS 268 N -0.17 2.68 0.00 3.23 4.81 -0.94 0.40 118.16 128.18 1nqa n LYS 268 Ca 0.33 0.95 0.00 0.00 -0.87 0.00 0.00 58.31 58.71 1nqa n LYS 268 Cb 1.20 -2.71 0.00 0.00 0.02 0.00 0.00 35.03 33.53 1nqa n LYS 268 CO 0.00 0.00 0.00 0.41 1.17 0.00 0.00 177.40 178.98 1nqa n GLY 269 N 1.69 2.69 0.53 3.14 0.00 -1.26 -4.70 105.19 107.27 1nqa n GLY 269 Ca 0.07 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.00 0.81 -4.90 -0.61 2.08 0.17 -4.35 119.36 110.56 1nqa n ILE 270 Ca 0.00 -0.21 -0.33 0.00 0.56 0.00 0.00 62.75 62.78 1nqa n ILE 270 Cb 0.00 -1.68 -0.15 0.00 -0.75 0.00 0.00 39.64 37.06 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 -6.77 2.57 0.39 1.39 2.96 0.16 -1.11 118.68 118.27 1nqa s LEU 271 Ca -0.20 -0.37 0.08 0.00 -0.22 0.00 0.00 54.13 53.41 1nqa s LEU 271 Cb 0.08 -1.56 -0.07 0.00 0.50 0.00 0.00 46.19 45.14 1nqa s LEU 271 CO 0.26 0.18 0.03 0.00 -1.32 0.00 0.00 176.35 175.50 1nqa s ALA 272 N 0.25 3.22 -0.04 5.97 0.00 0.16 -4.37 121.76 126.95 1nqa s ALA 272 Ca -0.11 -2.17 0.01 0.00 0.00 0.00 0.00 51.96 49.69 1nqa s ALA 272 Cb -0.16 -0.07 0.02 0.00 0.00 0.00 0.00 23.12 22.91 1nqa s ALA 272 CO 0.06 -0.06 -0.04 -0.47 0.00 0.00 0.00 175.76 175.25 1nqa s TYR 273 N -2.64 0.70 -0.05 0.00 5.04 -1.26 -1.04 117.35 118.11 1nqa s TYR 273 Ca 0.36 -0.19 0.02 0.00 -2.44 0.00 0.00 57.07 54.82 1nqa s TYR 273 Cb 0.06 -0.65 0.01 0.00 0.35 0.00 0.00 41.96 41.73 1nqa s TYR 273 CO 0.19 -0.19 -0.11 0.45 -1.34 0.00 0.00 175.55 174.55 1nqa s SER 274 N 0.99 1.54 -0.07 4.32 0.15 -0.15 -4.92 113.70 115.57 1nqa s SER 274 Ca -0.10 -0.25 0.16 0.00 0.70 0.00 0.00 55.95 56.46 1nqa s SER 274 Cb -0.14 -0.61 0.52 0.00 -1.71 0.00 0.00 66.02 64.07 1nqa s SER 274 CO -0.00 0.04 1.44 -0.62 1.20 0.00 0.00 173.24 175.29 1nqa n GLU 275 N 3.64 3.14 -3.64 5.44 1.02 -1.26 -1.23 120.64 127.75 1nqa n GLU 275 Ca -0.22 -2.54 -0.34 0.00 -0.02 0.00 0.00 57.16 54.04 1nqa n GLU 275 Cb 0.52 -1.61 -0.05 0.00 -0.02 0.00 0.00 31.44 30.28 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 -1.63 3.69 -1.32 3.49 0.41 -1.26 -4.82 118.70 117.27 1nqa s GLU 276 Ca 0.39 0.07 -0.11 0.00 -0.41 0.00 0.00 54.97 54.91 1nqa s GLU 276 Cb 0.24 -3.01 0.13 0.00 -1.78 0.00 0.00 34.13 29.72 1nqa s GLU 276 CO 0.19 0.58 1.93 -0.35 -0.49 0.00 0.00 175.26 177.12 1nqa n PRO 277 N 0.88 3.41 -2.69 0.39 -0.04 -1.26 -4.87 135.00 130.83 1nqa n PRO 277 Ca -0.08 -3.32 -0.21 0.00 -0.04 0.00 0.00 63.50 59.85 1nqa n PRO 277 Cb 0.52 -3.03 0.05 0.00 -0.04 0.00 0.00 33.50 31.00 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 0.63 3.23 0.35 1.53 1.43 -1.26 -5.14 118.68 119.45 1nqa s LEU 278 Ca 0.42 -0.18 0.05 0.00 -1.03 0.00 0.00 54.13 53.39 1nqa s LEU 278 Cb 0.10 -2.58 -0.07 0.00 0.03 0.00 0.00 46.19 43.67 1nqa s LEU 278 CO -0.02 -1.28 0.04 0.68 0.23 0.00 0.00 176.35 176.01 1nqa s VAL 279 N -2.80 1.45 0.28 -1.59 -7.23 -1.26 -5.05 120.40 104.21 1nqa s VAL 279 Ca 0.59 -2.00 0.02 0.00 -1.81 0.00 0.00 61.98 58.78 1nqa s VAL 279 Cb -0.09 -2.85 0.27 0.00 0.56 0.00 0.00 36.38 34.26 1nqa s VAL 279 CO 0.39 -0.01 1.74 0.77 -0.31 0.00 0.00 175.10 177.69 1nqa h SER 280 N 2.01 0.51 -0.65 4.85 4.64 -1.97 -0.70 113.55 122.24 1nqa h SER 280 Ca -0.42 0.11 0.13 0.00 -0.47 0.00 0.00 61.79 61.15 1nqa h SER 280 Cb 1.24 0.04 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 1nqa h SER 280 CO 0.73 0.16 0.44 0.03 -0.87 0.00 0.00 176.83 177.32 1nqa h ARG 281 N 0.57 0.32 0.00 4.77 2.47 -1.97 -0.53 114.38 120.01 1nqa h ARG 281 Ca 0.52 -0.02 -0.00 0.00 -1.26 0.00 0.00 59.98 59.22 1nqa h ARG 281 Cb 0.84 -0.07 -0.00 0.00 -1.65 0.00 0.00 29.97 29.09 1nqa h ARG 281 CO -0.42 0.21 -0.01 -0.44 0.56 0.00 0.00 179.97 179.87 1nqa h ASP 282 N 0.33 0.00 -0.01 7.04 3.32 -1.53 -2.55 116.42 123.02 1nqa h ASP 282 Ca 0.31 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.36 1nqa h ASP 282 Cb 0.77 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.32 1nqa h ASP 282 CO -0.08 0.01 -0.10 -1.22 -1.72 0.00 0.00 179.24 176.13 1nqa n TYR 283 N -3.14 0.00 -1.89 4.55 4.01 -0.21 -4.89 117.16 115.59 1nqa n TYR 283 Ca -0.01 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1nqa n TYR 283 Cb 0.18 -0.01 -0.03 0.00 -0.31 0.00 0.00 39.34 39.18 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 -2.11 6.55 0.00 7.72 2.47 -0.96 -1.25 114.94 127.36 1nqa s ASN 284 Ca 0.28 2.34 0.00 0.00 0.42 0.00 0.00 52.86 55.89 1nqa s ASN 284 Cb 0.20 -2.53 0.00 0.00 -1.45 0.00 0.00 41.25 37.47 1nqa s ASN 284 CO 0.37 -1.01 0.00 0.61 -3.72 0.00 0.00 177.10 173.34 1nqa n GLY 285 N 4.33 0.46 3.75 1.21 0.00 -1.26 -5.07 105.19 108.61 1nqa n GLY 285 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 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 -2.08 6.61 0.09 1.61 0.15 -0.38 -4.94 113.70 114.76 1nqa s SER 286 Ca 0.00 2.70 0.23 0.00 0.70 0.00 0.00 55.95 59.58 1nqa s SER 286 Cb 0.00 -2.62 -0.07 0.00 -1.71 0.00 0.00 66.02 61.62 1nqa s SER 286 CO 0.00 -0.73 0.90 0.35 1.20 0.00 0.00 173.24 174.96 1nqa n THR 287 N 2.32 0.31 -1.26 6.45 -2.24 -1.26 -2.73 114.28 115.87 1nqa n THR 287 Ca 0.07 -0.43 -0.29 0.00 -2.27 0.00 0.00 64.05 61.13 1nqa n THR 287 Cb 0.40 -0.07 0.16 0.00 -2.10 0.00 0.00 70.33 68.72 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 -3.35 2.15 -0.15 2.28 -7.23 -1.26 -4.38 120.40 108.46 1nqa s VAL 288 Ca -0.01 0.05 0.18 0.00 -1.81 0.00 0.00 61.98 60.39 1nqa s VAL 288 Cb 0.12 -2.60 -0.11 0.00 0.56 0.00 0.00 36.38 34.36 1nqa s VAL 288 CO 0.82 -0.07 0.86 -1.20 -0.31 0.00 0.00 175.10 175.21 1nqa n SER 289 N -4.04 0.83 -3.67 4.85 7.64 -0.27 -4.31 113.62 114.64 1nqa n SER 289 Ca 0.06 0.35 -0.10 0.00 1.01 0.00 0.00 58.87 60.19 1nqa n SER 289 Cb 0.57 0.29 -0.09 0.00 -1.01 0.00 0.00 64.21 63.97 1nqa n SER 289 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1nqa s SER 290 N -5.64 -0.71 -0.20 6.43 0.15 -0.72 -3.82 113.70 109.19 1nqa s SER 290 Ca -0.03 1.22 -0.01 0.00 0.70 0.00 0.00 55.95 57.84 1nqa s SER 290 Cb 0.09 1.14 0.05 0.00 -1.71 0.00 0.00 66.02 65.60 1nqa s SER 290 CO 0.81 -0.21 -0.03 -0.89 1.20 0.00 0.00 173.24 174.11 1nqa s THR 291 N 1.14 1.11 0.18 6.45 2.01 -0.25 0.38 115.64 126.65 1nqa s THR 291 Ca -0.07 -0.83 -0.31 0.00 0.31 0.00 0.00 61.69 60.80 1nqa s THR 291 Cb -0.06 -1.41 -0.10 0.00 0.01 0.00 0.00 72.50 70.95 1nqa s THR 291 CO -0.11 -0.04 1.52 -0.63 -0.69 0.00 0.00 174.62 174.67 1nqa s ILE 292 N 1.60 2.70 -1.15 1.82 -1.09 -0.21 -0.36 121.20 124.52 1nqa s ILE 292 Ca -0.02 0.51 -0.11 0.00 -2.23 0.00 0.00 60.65 58.80 1nqa s ILE 292 Cb -0.17 -3.33 0.23 0.00 -1.58 0.00 0.00 42.46 37.61 1nqa s ILE 292 CO -0.07 0.05 1.24 -0.62 -1.23 0.00 0.00 174.94 174.31 1nqa s ASP 293 N 0.99 7.21 0.43 3.58 -1.08 0.20 -0.97 116.67 127.03 1nqa s ASP 293 Ca 0.67 -3.34 0.25 0.00 -0.52 0.00 0.00 52.55 49.62 1nqa s ASP 293 Cb -0.43 -2.29 1.27 0.00 -1.46 0.00 0.00 42.92 40.02 1nqa s ASP 293 CO 0.33 -0.48 1.72 0.00 0.52 0.00 0.00 175.17 177.26 1nqa h ALA 294 N 6.89 2.52 0.00 3.66 0.00 -1.44 0.95 119.26 131.84 1nqa h ALA 294 Ca 0.24 0.07 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nqa h ALA 294 Cb 0.88 0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.77 1nqa h ALA 294 CO 1.11 -1.01 0.00 -0.07 0.00 0.00 0.00 179.25 179.28 1nqa h LEU 295 N 0.24 0.00 0.00 0.00 3.38 -1.88 -2.77 115.31 114.28 1nqa h LEU 295 Ca 0.68 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.65 1nqa h LEU 295 Cb 2.00 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.75 1nqa h LEU 295 CO -0.31 0.00 -0.61 -1.20 0.09 0.00 0.00 178.44 176.41 1nqa n SER 296 N -2.54 0.58 -4.73 -0.43 7.64 0.33 -4.94 113.62 109.53 1nqa n SER 296 Ca 0.01 -0.31 -0.42 0.00 1.01 0.00 0.00 58.87 59.16 1nqa n SER 296 Cb 0.20 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.75 1nqa n SER 296 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1nqa s THR 297 N -3.03 2.44 0.07 0.44 2.01 -1.05 -4.77 115.64 111.75 1nqa s THR 297 Ca 0.10 0.33 -0.09 0.00 0.31 0.00 0.00 61.69 62.34 1nqa s THR 297 Cb 0.17 -3.21 0.00 0.00 0.01 0.00 0.00 72.50 69.47 1nqa s THR 297 CO 0.73 0.03 0.20 0.00 -0.69 0.00 0.00 174.62 174.89 1nqa s MET 298 N 0.74 0.78 0.02 4.92 0.23 -1.11 -4.98 119.30 119.91 1nqa s MET 298 Ca 0.69 -0.80 -0.00 0.00 -1.03 0.00 0.00 55.69 54.55 1nqa s MET 298 Cb -0.45 0.32 -0.02 0.00 -1.53 0.00 0.00 34.83 33.15 1nqa s MET 298 CO 0.35 -0.24 -0.02 0.08 -2.03 0.00 0.00 175.02 173.16 1nqa s VAL 299 N -3.26 0.10 -0.07 5.16 1.01 -1.26 -1.13 120.40 120.95 1nqa s VAL 299 Ca 0.00 -0.82 0.02 0.00 0.00 0.00 0.00 61.98 61.18 1nqa s VAL 299 Cb 0.02 -0.25 0.02 0.00 0.00 0.00 0.00 36.38 36.17 1nqa s VAL 299 CO -0.08 -0.45 -0.10 -0.63 0.00 0.00 0.00 175.10 173.84 1nqa s ILE 300 N -1.33 1.02 -0.92 2.22 1.01 0.38 -4.72 121.20 118.86 1nqa s ILE 300 Ca -0.15 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.11 1nqa s ILE 300 Cb -0.09 -0.96 0.00 0.00 0.01 0.00 0.00 42.46 41.42 1nqa s ILE 300 CO -0.01 0.34 0.00 0.47 0.00 0.00 0.00 174.94 175.74 1nqa n ASP 301 N 4.04 -5.59 0.00 3.58 8.00 -1.26 -1.91 116.55 123.42 1nqa n ASP 301 Ca -0.21 0.22 0.00 0.00 0.71 0.00 0.00 54.79 55.50 1nqa n ASP 301 Cb 0.51 -3.86 0.00 0.00 -0.02 0.00 0.00 41.12 37.76 1nqa n ASP 301 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1nqa n GLY 302 N 0.14 0.25 0.01 0.44 0.00 -1.26 -4.75 105.19 100.02 1nqa n GLY 302 Ca -0.09 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.92 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 -1.16 2.82 -3.82 1.61 4.76 -0.90 -0.37 118.16 121.11 1nqa n LYS 303 Ca 0.00 0.00 -0.36 0.00 -2.87 0.00 0.00 58.31 55.08 1nqa n LYS 303 Cb 0.17 -1.07 -0.11 0.00 -1.84 0.00 0.00 35.03 32.18 1nqa n LYS 303 CO 0.00 0.00 0.00 1.41 -1.37 0.00 0.00 177.40 177.44 1nqa s MET 304 N -2.06 3.89 0.14 1.97 1.75 -0.80 -0.91 119.30 123.28 1nqa s MET 304 Ca -0.02 -0.37 0.09 0.00 -1.25 0.00 0.00 55.69 54.14 1nqa s MET 304 Cb 0.01 -3.37 -0.04 0.00 2.84 0.00 0.00 34.83 34.27 1nqa s MET 304 CO 0.10 0.03 -0.20 0.54 -0.65 0.00 0.00 175.02 174.84 1nqa s VAL 305 N 1.06 1.83 -0.11 10.11 0.11 -0.40 -0.47 120.40 132.53 1nqa s VAL 305 Ca 0.05 -1.75 0.03 0.00 -2.93 0.00 0.00 61.98 57.38 1nqa s VAL 305 Cb -0.14 -1.74 0.01 0.00 -1.53 0.00 0.00 36.38 32.98 1nqa s VAL 305 CO 0.04 -0.17 -0.22 -0.75 -3.33 0.00 0.00 175.10 170.68 1nqa s LYS 306 N -2.35 2.86 -0.09 1.54 2.20 -0.28 -1.18 119.74 122.44 1nqa s LYS 306 Ca 0.12 -0.81 0.02 0.00 -0.36 0.00 0.00 55.97 54.94 1nqa s LYS 306 Cb -0.08 -2.25 0.02 0.00 -1.51 0.00 0.00 37.83 34.00 1nqa s LYS 306 CO 0.06 0.07 -0.13 0.08 -0.36 0.00 0.00 175.35 175.07 1nqa s VAL 307 N 0.62 1.26 -0.14 4.02 1.01 0.16 -2.73 120.40 124.60 1nqa s VAL 307 Ca -0.13 -0.51 -0.02 0.00 0.00 0.00 0.00 61.98 61.32 1nqa s VAL 307 Cb -0.17 -1.17 -0.02 0.00 0.00 0.00 0.00 36.38 35.02 1nqa s VAL 307 CO 0.03 0.39 -0.06 -0.69 0.00 0.00 0.00 175.10 174.77 1nqa s VAL 308 N 0.97 3.66 -0.02 2.92 1.01 -1.26 -1.08 120.40 126.60 1nqa s VAL 308 Ca -0.08 -0.45 0.00 0.00 0.00 0.00 0.00 61.98 61.46 1nqa s VAL 308 Cb -0.15 -2.58 0.02 0.00 0.00 0.00 0.00 36.38 33.67 1nqa s VAL 308 CO -0.00 0.51 -0.00 -0.55 0.00 0.00 0.00 175.10 175.06 1nqa s SER 309 N 0.26 0.31 0.38 3.32 0.15 -0.18 -0.63 113.70 117.32 1nqa s SER 309 Ca -0.05 -0.02 -0.11 0.00 0.70 0.00 0.00 55.95 56.48 1nqa s SER 309 Cb -0.14 -0.15 -0.07 0.00 -1.71 0.00 0.00 66.02 63.95 1nqa s SER 309 CO 0.04 -0.07 0.75 0.26 1.20 0.00 0.00 173.24 175.41 1nqa s TRP 310 N 0.75 3.46 -0.28 3.44 0.52 0.52 -0.59 118.94 126.76 1nqa s TRP 310 Ca -0.07 1.05 -0.19 0.00 0.02 0.00 0.00 56.10 56.90 1nqa s TRP 310 Cb -0.10 -2.44 0.08 0.00 -1.15 0.00 0.00 33.47 29.86 1nqa s TRP 310 CO -0.02 -0.06 0.73 1.52 0.02 0.00 0.00 176.95 179.15 1nqa s TYR 311 N -2.29 -0.93 -0.65 -1.98 1.13 -0.50 -1.09 117.35 111.03 1nqa s TYR 311 Ca 0.51 1.98 -0.23 0.00 -1.41 0.00 0.00 57.07 57.92 1nqa s TYR 311 Cb -0.10 0.50 0.06 0.00 -1.10 0.00 0.00 41.96 41.32 1nqa s TYR 311 CO 0.29 -0.46 1.01 0.34 -2.51 0.00 0.00 175.55 174.22 1nqa s ASP 312 N 1.19 6.19 0.49 -0.18 -1.08 -1.26 -0.20 116.67 121.82 1nqa s ASP 312 Ca -0.06 -0.82 0.31 0.00 -0.52 0.00 0.00 52.55 51.45 1nqa s ASP 312 Cb -0.05 -2.44 1.66 0.00 -1.46 0.00 0.00 42.92 40.63 1nqa s ASP 312 CO -0.13 -1.47 1.93 -0.55 0.52 0.00 0.00 175.17 175.47 1nqa h ASN 313 N 9.60 0.00 0.00 -0.34 -1.07 -1.91 -1.40 115.58 120.46 1nqa h ASN 313 Ca -0.28 0.00 -0.09 0.00 0.07 0.00 0.00 56.30 56.00 1nqa h ASN 313 Cb 1.07 0.00 -0.01 0.00 -2.07 0.00 0.00 38.32 37.31 1nqa h ASN 313 CO 1.18 0.00 -1.06 -0.62 0.07 0.00 0.00 177.43 177.01 1nqa n GLU 314 N -2.62 0.51 -0.04 4.14 1.02 -1.26 -4.29 120.64 118.11 1nqa n GLU 314 Ca -0.02 0.37 -0.13 0.00 -0.02 0.00 0.00 57.16 57.35 1nqa n GLU 314 Cb 0.12 -1.56 -0.09 0.00 -0.02 0.00 0.00 31.44 29.88 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 -1.00 1.39 0.23 2.62 2.02 -1.81 -2.32 112.91 114.05 1nqa h THR 315 Ca -0.13 -1.34 -0.01 0.00 0.77 0.00 0.00 66.41 65.70 1nqa h THR 315 Cb 0.94 2.11 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 1nqa h THR 315 CO -0.08 0.38 -0.11 1.23 0.37 0.00 0.00 175.52 177.31 1nqa h GLY 316 N -0.25 -0.33 0.95 2.16 0.00 -1.05 -2.31 103.07 102.25 1nqa h GLY 316 Ca 0.01 0.12 0.02 0.00 0.00 0.00 0.00 47.33 47.48 1nqa h GLY 316 CO 0.03 -0.12 0.63 -1.82 0.00 0.00 0.00 176.54 175.26 1nqa h TYR 317 N -0.32 1.19 -0.71 5.60 3.20 -1.66 -2.30 116.97 121.97 1nqa h TYR 317 Ca -0.03 0.03 -0.04 0.00 3.14 0.00 0.00 58.73 61.82 1nqa h TYR 317 Cb 0.24 -0.40 -0.03 0.00 1.54 0.00 0.00 36.73 38.08 1nqa h TYR 317 CO -0.06 0.73 0.27 0.77 -1.64 0.00 0.00 178.16 178.22 1nqa h SER 318 N 1.26 0.97 -0.50 -2.11 0.02 -1.29 -1.38 113.55 110.52 1nqa h SER 318 Ca 0.36 -0.15 -0.04 0.00 -0.84 0.00 0.00 61.79 61.12 1nqa h SER 318 Cb -0.09 -0.25 -0.02 0.00 0.14 0.00 0.00 62.40 62.18 1nqa h SER 318 CO -0.10 0.88 0.15 0.45 -1.14 0.00 0.00 176.83 177.07 1nqa h HIS 319 N 1.03 0.82 -0.59 3.45 3.86 -1.02 -2.32 115.15 120.39 1nqa h HIS 319 Ca 0.24 -0.09 0.05 0.00 -1.16 0.00 0.00 60.37 59.41 1nqa h HIS 319 Cb 0.22 -0.24 -0.05 0.00 1.06 0.00 0.00 27.41 28.41 1nqa h HIS 319 CO 0.02 0.72 0.31 0.00 0.86 0.00 0.00 177.93 179.84 1nqa h ARG 320 N 0.69 0.57 -1.00 2.45 2.47 -0.97 0.18 114.38 118.77 1nqa h ARG 320 Ca 0.16 -0.03 0.09 0.00 -1.26 0.00 0.00 59.98 58.94 1nqa h ARG 320 Cb 0.29 -0.13 -0.07 0.00 -1.65 0.00 0.00 29.97 28.41 1nqa h ARG 320 CO -0.00 0.38 0.64 0.28 0.56 0.00 0.00 179.97 181.82 1nqa h VAL 321 N 0.59 1.01 -0.18 2.04 2.07 -0.90 0.14 116.25 121.02 1nqa h VAL 321 Ca 0.26 -0.37 -0.21 0.00 0.82 0.00 0.00 66.70 67.20 1nqa h VAL 321 Cb 0.16 -0.17 0.01 0.00 -1.52 0.00 0.00 31.29 29.76 1nqa h VAL 321 CO -0.17 0.20 -0.69 0.58 0.02 0.00 0.00 177.57 177.51 1nqa h VAL 322 N 1.09 1.28 -0.77 2.57 2.07 -0.69 -1.88 116.25 119.93 1nqa h VAL 322 Ca 0.46 -1.89 0.03 0.00 0.82 0.00 0.00 66.70 66.12 1nqa h VAL 322 Cb 0.30 1.92 -0.05 0.00 -1.52 0.00 0.00 31.29 31.94 1nqa h VAL 322 CO -0.21 0.60 0.49 0.44 0.02 0.00 0.00 177.57 178.90 1nqa h ASP 323 N 0.52 0.80 -0.24 0.57 3.32 0.20 0.55 116.42 122.15 1nqa h ASP 323 Ca -0.03 -0.00 -0.08 0.00 0.02 0.00 0.00 57.03 56.93 1nqa h ASP 323 Cb 1.32 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 40.67 1nqa h ASP 323 CO 0.15 0.55 -0.11 0.25 -1.72 0.00 0.00 179.24 178.36 1nqa h LEU 324 N 0.95 0.61 -0.27 1.55 5.85 -0.70 0.12 115.31 123.41 1nqa h LEU 324 Ca 0.31 -0.17 -0.03 0.00 0.84 0.00 0.00 57.88 58.83 1nqa h LEU 324 Cb 0.02 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 40.87 1nqa h LEU 324 CO -0.11 0.75 0.07 0.00 -0.34 0.00 0.00 178.44 178.81 1nqa h ALA 325 N 1.31 0.36 -0.33 1.25 0.00 -0.37 0.67 119.26 122.15 1nqa h ALA 325 Ca 0.10 -0.16 -0.04 0.00 0.00 0.00 0.00 54.91 54.81 1nqa h ALA 325 Cb 0.53 -0.10 -0.01 0.00 0.00 0.00 0.00 17.79 18.20 1nqa h ALA 325 CO 0.03 0.01 0.05 0.00 0.00 0.00 0.00 179.25 179.34 1nqa h ALA 326 N 0.90 0.44 0.43 0.00 0.00 -0.70 -1.77 119.26 118.56 1nqa h ALA 326 Ca 0.09 -0.20 -0.01 0.00 0.00 0.00 0.00 54.91 54.78 1nqa h ALA 326 Cb 0.28 -0.12 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1nqa h ALA 326 CO 0.00 0.14 -0.45 -0.92 0.00 0.00 0.00 179.25 178.02 1nqa h TYR 327 N 0.38 -1.26 -0.62 0.00 3.20 -0.60 -0.16 116.97 117.91 1nqa h TYR 327 Ca 0.10 0.01 0.13 0.00 3.14 0.00 0.00 58.73 62.11 1nqa h TYR 327 Cb 0.36 0.50 -0.11 0.00 1.54 0.00 0.00 36.73 39.02 1nqa h TYR 327 CO 0.02 -0.60 -0.06 0.82 -1.64 0.00 0.00 178.16 176.71 1nqa h ILE 328 N -0.89 0.45 -0.96 1.81 2.04 -0.88 0.82 117.51 119.91 1nqa h ILE 328 Ca -0.05 -0.02 0.08 0.00 1.00 0.00 0.00 64.86 65.86 1nqa h ILE 328 Cb 0.78 0.37 -0.07 0.00 -0.74 0.00 0.00 36.82 37.16 1nqa h ILE 328 CO -0.07 0.01 0.62 0.00 0.00 0.00 0.00 178.15 178.71 1nqa h ALA 329 N 1.59 1.48 0.00 1.87 0.00 -0.94 -0.15 119.26 123.11 1nqa h ALA 329 Ca 0.32 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.21 1nqa h ALA 329 Cb 0.51 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1nqa h ALA 329 CO -0.57 0.35 0.00 -1.13 0.00 0.00 0.00 179.25 177.90 1nqa n SER 330 N -4.52 0.21 -0.99 0.00 3.41 0.27 -1.16 113.62 110.85 1nqa n SER 330 Ca 0.15 0.57 0.12 0.00 -0.26 0.00 0.00 58.87 59.45 1nqa n SER 330 Cb 0.23 -0.61 0.25 0.00 -0.26 0.00 0.00 64.21 63.82 1nqa n SER 330 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1nqa n LYS 331 N -1.75 2.30 -0.09 4.33 4.76 -0.07 -5.04 118.16 122.59 1nqa n LYS 331 Ca 0.01 -1.95 0.00 0.00 -2.87 0.00 0.00 58.31 53.50 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 1.40 -2.20 0.83 0.72 0.00 -0.31 -4.87 105.19 100.78 1nqa n GLY 332 Ca 0.18 -1.03 0.10 0.00 0.00 0.00 0.00 46.02 45.28 1nqa n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36