#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 4.44 -0.11 0.00 0.11 -0.93 -4.83 120.40 119.08 1nqa s VAL 1 Ca 0.00 1.83 -0.30 0.00 -2.93 0.00 0.00 61.98 60.58 1nqa s VAL 1 Cb 0.00 -4.17 -0.02 0.00 -1.53 0.00 0.00 36.38 30.66 1nqa s VAL 1 CO 0.00 0.18 1.23 -0.54 -3.33 0.00 0.00 175.10 172.65 1nqa s LYS 2 N 0.71 4.29 0.04 1.54 3.01 -1.26 -1.40 119.74 126.66 1nqa s LYS 2 Ca 0.53 1.67 0.09 0.00 -1.01 0.00 0.00 55.97 57.25 1nqa s LYS 2 Cb -0.25 -3.67 -0.03 0.00 -1.01 0.00 0.00 37.83 32.88 1nqa s LYS 2 CO 0.29 -0.58 -0.25 0.08 0.51 0.00 0.00 175.35 175.40 1nqa s VAL 3 N 2.89 2.27 -0.02 3.17 1.01 0.99 -1.91 120.40 128.79 1nqa s VAL 3 Ca 0.55 -1.32 0.05 0.00 0.00 0.00 0.00 61.98 61.26 1nqa s VAL 3 Cb -0.23 -1.89 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1nqa s VAL 3 CO 0.18 0.38 -0.19 -0.83 0.00 0.00 0.00 175.10 174.64 1nqa s GLY 4 N -1.23 0.94 -0.17 4.51 0.00 0.24 -1.62 107.32 109.99 1nqa s GLY 4 Ca 0.12 -0.79 -0.02 0.00 0.00 0.00 0.00 44.72 44.04 1nqa s GLY 4 CO 0.02 -0.58 -0.09 -0.42 0.00 0.00 0.00 173.10 172.04 1nqa s ILE 5 N -0.29 3.26 -0.37 0.90 1.01 -0.71 -0.53 121.20 124.47 1nqa s ILE 5 Ca 0.04 -0.56 -0.08 0.00 0.00 0.00 0.00 60.65 60.04 1nqa s ILE 5 Cb -0.09 -2.42 0.04 0.00 0.01 0.00 0.00 42.46 40.01 1nqa s ILE 5 CO 0.00 0.48 0.17 0.21 0.00 0.00 0.00 174.94 175.81 1nqa s ASN 6 N 0.81 5.52 0.00 3.58 2.47 0.45 -0.89 114.94 126.88 1nqa s ASN 6 Ca -0.03 -1.18 0.00 0.00 0.42 0.00 0.00 52.86 52.07 1nqa s ASN 6 Cb -0.15 -1.94 0.00 0.00 -1.45 0.00 0.00 41.25 37.71 1nqa s ASN 6 CO 0.01 -0.39 0.00 0.61 -3.72 0.00 0.00 177.10 173.61 1nqa n GLY 7 N 4.89 -0.07 2.39 1.21 0.00 0.58 -0.41 105.19 113.79 1nqa n GLY 7 Ca -0.12 -0.72 -0.33 0.00 0.00 0.00 0.00 46.02 44.85 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 1.98 -0.20 1.61 7.35 -1.21 -3.84 117.46 123.16 1nqa n PHE 8 Ca 0.00 -2.47 0.00 0.00 -0.76 0.00 0.00 57.45 54.22 1nqa n PHE 8 Cb 0.00 -1.80 0.00 0.00 0.35 0.00 0.00 39.48 38.03 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 1.91 1.63 0.09 7.13 0.00 -1.26 -4.39 105.19 110.30 1nqa n GLY 9 Ca 0.59 -1.68 -0.11 0.00 0.00 0.00 0.00 46.02 44.83 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 0.18 -0.02 1.61 2.47 -1.92 -0.10 114.38 116.59 1nqa h ARG 10 Ca 0.00 -0.02 -0.09 0.00 -1.26 0.00 0.00 59.98 58.61 1nqa h ARG 10 Cb 0.00 -0.04 0.01 0.00 -1.65 0.00 0.00 29.97 28.29 1nqa h ARG 10 CO 0.00 0.18 -0.34 0.82 0.56 0.00 0.00 179.97 181.19 1nqa h ILE 11 N 0.12 1.48 -0.37 2.04 1.08 -1.90 -2.60 117.51 117.36 1nqa h ILE 11 Ca 0.05 -1.89 0.07 0.00 -0.39 0.00 0.00 64.86 62.69 1nqa h ILE 11 Cb 0.05 2.59 -0.07 0.00 -3.07 0.00 0.00 36.82 36.32 1nqa h ILE 11 CO -0.01 0.53 -0.07 1.23 -0.69 0.00 0.00 178.15 179.15 1nqa h GLY 12 N -0.31 0.29 1.15 5.37 0.00 -1.65 0.31 103.07 108.22 1nqa h GLY 12 Ca -0.04 0.10 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 1nqa h GLY 12 CO 0.07 -0.13 -0.31 3.21 0.00 0.00 0.00 176.54 179.38 1nqa h ARG 13 N 0.02 0.95 0.00 4.80 3.08 -1.11 -1.74 114.38 120.39 1nqa h ARG 13 Ca 0.18 -0.46 -0.06 0.00 0.07 0.00 0.00 59.98 59.71 1nqa h ARG 13 Cb 0.27 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.30 1nqa h ARG 13 CO -0.36 1.12 -0.29 -0.91 -1.07 0.00 0.00 179.97 178.46 1nqa h ASN 14 N 0.80 0.00 -0.34 7.04 2.35 -1.12 -0.50 115.58 123.81 1nqa h ASN 14 Ca 0.08 0.00 -0.13 0.00 -0.55 0.00 0.00 56.30 55.70 1nqa h ASN 14 Cb 0.89 0.00 -0.01 0.00 0.05 0.00 0.00 38.32 39.26 1nqa h ASN 14 CO 0.08 0.29 -0.29 0.58 -1.65 0.00 0.00 177.43 176.43 1nqa h VAL 15 N 0.00 1.29 -0.80 2.81 2.07 -0.21 -1.86 116.25 119.56 1nqa h VAL 15 Ca -0.00 -1.46 0.00 0.00 0.82 0.00 0.00 66.70 66.06 1nqa h VAL 15 Cb 0.85 1.47 -0.04 0.00 -1.52 0.00 0.00 31.29 32.04 1nqa h VAL 15 CO 0.04 0.48 0.50 0.15 0.02 0.00 0.00 177.57 178.76 1nqa h PHE 16 N 0.57 1.03 -0.83 1.57 3.04 -0.44 0.12 116.94 122.00 1nqa h PHE 16 Ca 0.06 0.01 -0.01 0.00 3.98 0.00 0.00 57.97 62.01 1nqa h PHE 16 Cb 0.87 -0.34 -0.04 0.00 2.56 0.00 0.00 35.95 39.00 1nqa h PHE 16 CO 0.07 0.67 0.48 0.00 -2.02 0.00 0.00 178.31 177.51 1nqa h ARG 17 N 1.08 1.13 -0.48 1.11 3.08 -0.90 -2.36 114.38 117.03 1nqa h ARG 17 Ca 0.29 -0.11 -0.12 0.00 0.07 0.00 0.00 59.98 60.11 1nqa h ARG 17 Cb -0.08 -0.23 -0.01 0.00 0.08 0.00 0.00 29.97 29.72 1nqa h ARG 17 CO -0.06 0.81 -0.15 0.00 -1.07 0.00 0.00 179.97 179.50 1nqa h ALA 18 N 1.26 0.67 -0.41 0.04 0.00 -0.64 -2.93 119.26 117.25 1nqa h ALA 18 Ca 0.29 -0.36 0.02 0.00 0.00 0.00 0.00 54.91 54.87 1nqa h ALA 18 Cb -0.02 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 17.58 1nqa h ALA 18 CO -0.05 0.61 0.27 0.00 0.00 0.00 0.00 179.25 180.08 1nqa h ALA 19 N 0.88 1.80 -0.01 0.00 0.00 -0.38 -0.33 119.26 121.23 1nqa h ALA 19 Ca 0.12 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1nqa h ALA 19 Cb 0.72 -0.13 -0.00 0.00 0.00 0.00 0.00 17.79 18.37 1nqa h ALA 19 CO 0.05 0.15 0.03 -0.07 0.00 0.00 0.00 179.25 179.42 1nqa h LEU 20 N 0.47 0.00 -1.98 0.00 3.38 -1.23 -0.76 115.31 115.19 1nqa h LEU 20 Ca 0.16 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.13 1nqa h LEU 20 Cb 0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1nqa h LEU 20 CO -0.04 0.00 0.00 0.29 0.09 0.00 0.00 178.44 178.78 1nqa n LYS 21 N -3.30 2.31 -4.00 1.13 5.02 -0.14 -4.80 118.16 114.38 1nqa n LYS 21 Ca -0.03 -1.96 -0.31 0.00 -2.02 0.00 0.00 58.31 53.99 1nqa n LYS 21 Cb 0.11 -1.48 -0.15 0.00 -0.02 0.00 0.00 35.03 33.48 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 -1.66 4.26 0.59 4.39 3.84 -0.29 -5.00 114.94 121.08 1nqa s ASN 22 Ca 0.35 -1.44 0.30 0.00 0.21 0.00 0.00 52.86 52.27 1nqa s ASN 22 Cb 0.21 -1.39 1.80 0.00 -0.55 0.00 0.00 41.25 41.32 1nqa s ASN 22 CO 0.31 -0.25 2.23 -0.65 -2.79 0.00 0.00 177.10 175.95 1nqa h PRO 23 N 7.83 0.00 0.00 0.43 0.11 -1.87 -2.42 132.00 136.07 1nqa h PRO 23 Ca -0.16 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.95 1nqa h PRO 23 Cb 1.05 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.16 1nqa h PRO 23 CO 0.45 0.00 0.00 -0.25 -0.21 0.00 0.00 178.00 177.99 1nqa n ASP 24 N -3.82 0.00 -4.11 -2.05 8.00 -1.26 -2.75 116.55 110.56 1nqa n ASP 24 Ca -0.02 -0.09 -0.28 0.00 0.71 0.00 0.00 54.79 55.11 1nqa n ASP 24 Cb 0.13 -0.30 -0.17 0.00 -0.02 0.00 0.00 41.12 40.77 1nqa n ASP 24 CO 0.00 0.00 0.00 -0.51 -0.39 0.00 0.00 177.20 176.30 1nqa s ILE 25 N -2.60 1.58 -0.25 0.53 2.07 -0.91 -2.18 121.20 119.45 1nqa s ILE 25 Ca 0.26 -0.74 0.01 0.00 -1.41 0.00 0.00 60.65 58.78 1nqa s ILE 25 Cb 0.19 -1.40 0.06 0.00 0.13 0.00 0.00 42.46 41.44 1nqa s ILE 25 CO 0.44 0.45 -0.06 -0.70 -1.91 0.00 0.00 174.94 173.16 1nqa s GLU 26 N 0.55 1.78 -0.43 3.50 2.12 -0.50 -4.63 118.70 121.10 1nqa s GLU 26 Ca -0.16 -1.12 -0.26 0.00 0.36 0.00 0.00 54.97 53.78 1nqa s GLU 26 Cb -0.17 -2.69 0.02 0.00 0.26 0.00 0.00 34.13 31.56 1nqa s GLU 26 CO 0.05 -0.61 0.98 0.08 -0.54 0.00 0.00 175.26 175.23 1nqa s VAL 27 N 1.30 4.45 -1.12 3.70 1.01 -1.26 -0.01 120.40 128.47 1nqa s VAL 27 Ca -0.06 1.02 0.17 0.00 0.00 0.00 0.00 61.98 63.11 1nqa s VAL 27 Cb -0.19 -4.44 -0.12 0.00 0.00 0.00 0.00 36.38 31.62 1nqa s VAL 27 CO -0.06 -0.77 0.80 1.33 0.00 0.00 0.00 175.10 176.40 1nqa n VAL 28 N 6.36 0.00 -3.54 2.92 0.24 -0.64 -4.88 118.33 118.79 1nqa n VAL 28 Ca 0.08 -0.17 -0.16 0.00 -2.04 0.00 0.00 64.34 62.05 1nqa n VAL 28 Cb 0.48 1.08 -0.06 0.00 -1.47 0.00 0.00 33.84 33.87 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 -2.43 -1.81 0.06 2.33 0.00 -1.25 -1.32 121.76 117.35 1nqa s ALA 29 Ca 0.10 1.44 0.02 0.00 0.00 0.00 0.00 51.96 53.52 1nqa s ALA 29 Cb 0.14 -0.27 -0.03 0.00 0.00 0.00 0.00 23.12 22.96 1nqa s ALA 29 CO 0.62 -0.35 -0.07 0.14 0.00 0.00 0.00 175.76 176.09 1nqa s VAL 30 N -1.03 0.57 0.01 0.00 -7.23 -0.14 -1.73 120.40 110.85 1nqa s VAL 30 Ca -0.08 -1.35 0.03 0.00 -1.81 0.00 0.00 61.98 58.77 1nqa s VAL 30 Cb -0.01 -0.94 -0.01 0.00 0.56 0.00 0.00 36.38 35.98 1nqa s VAL 30 CO 0.07 -0.55 -0.10 0.21 -0.31 0.00 0.00 175.10 174.42 1nqa s ASN 31 N -2.05 1.20 0.00 4.85 2.47 -0.07 -1.13 114.94 120.21 1nqa s ASN 31 Ca -0.03 -0.27 0.00 0.00 0.42 0.00 0.00 52.86 52.98 1nqa s ASN 31 Cb -0.05 -0.10 0.00 0.00 -1.45 0.00 0.00 41.25 39.65 1nqa s ASN 31 CO -0.01 0.07 0.00 -0.67 -3.72 0.00 0.00 177.10 172.76 1nqa n ASP 32 N 2.51 0.00 -1.55 -4.21 -0.08 -1.07 -0.31 116.55 111.84 1nqa n ASP 32 Ca -0.15 0.00 -0.07 0.00 -1.51 0.00 0.00 54.79 53.06 1nqa n ASP 32 Cb 0.56 0.00 0.09 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 3.27 0.00 -2.67 4.77 -1.26 -3.75 117.00 117.35 1nqa n LEU 33 Ca 0.00 -3.92 0.00 0.00 -0.03 0.00 0.00 56.01 52.06 1nqa n LEU 33 Cb 0.00 -0.27 0.00 0.00 -2.33 0.00 0.00 43.42 40.82 1nqa n LEU 33 CO 0.00 1.54 0.00 1.07 -1.33 0.00 0.00 177.39 178.67 1nqa n THR 34 N -0.71 0.00 -3.08 -5.08 5.66 -1.26 -5.11 114.28 104.70 1nqa n THR 34 Ca 0.26 0.00 -0.19 0.00 -3.05 0.00 0.00 64.05 61.07 1nqa n THR 34 Cb 0.87 0.00 0.01 0.00 -1.55 0.00 0.00 70.33 69.66 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 -0.93 5.71 0.35 1.09 1.47 -1.26 -4.80 116.67 118.29 1nqa s ASP 36 Ca 0.00 -0.20 0.03 0.00 1.18 0.00 0.00 52.55 53.56 1nqa s ASP 36 Cb 0.00 -0.97 0.65 0.00 -0.34 0.00 0.00 42.92 42.27 1nqa s ASP 36 CO 0.00 -0.72 2.01 0.00 0.68 0.00 0.00 175.17 177.14 1nqa h ALA 37 N 0.59 1.57 -0.71 2.11 0.00 -1.93 -2.21 119.26 118.68 1nqa h ALA 37 Ca -0.43 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 54.48 1nqa h ALA 37 Cb 1.27 -0.25 -0.05 0.00 0.00 0.00 0.00 17.79 18.77 1nqa h ALA 37 CO 0.50 0.40 0.44 -0.97 0.00 0.00 0.00 179.25 179.62 1nqa h ASN 38 N 0.84 0.71 -0.09 0.00 -0.00 -1.92 0.16 115.58 115.28 1nqa h ASN 38 Ca 0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 56.30 56.52 1nqa h ASN 38 Cb -0.07 -0.15 -0.00 0.00 -0.00 0.00 0.00 38.32 38.10 1nqa h ASN 38 CO -0.05 0.49 -0.04 0.74 -0.00 0.00 0.00 177.43 178.56 1nqa h THR 39 N 0.85 1.32 -0.56 -3.57 2.02 -1.81 -2.08 112.91 109.07 1nqa h THR 39 Ca 0.29 -1.06 -0.06 0.00 0.77 0.00 0.00 66.41 66.35 1nqa h THR 39 Cb 0.05 1.83 -0.02 0.00 -1.74 0.00 0.00 68.15 68.27 1nqa h THR 39 CO -0.12 0.30 0.10 -0.07 0.37 0.00 0.00 175.52 176.09 1nqa h LEU 40 N -0.17 0.83 -0.52 2.58 3.38 -1.25 -1.65 115.31 118.52 1nqa h LEU 40 Ca 0.02 -0.17 -0.04 0.00 0.09 0.00 0.00 57.88 57.78 1nqa h LEU 40 Cb 0.49 -0.22 -0.02 0.00 0.09 0.00 0.00 40.66 41.00 1nqa h LEU 40 CO 0.01 0.84 0.18 0.00 0.09 0.00 0.00 178.44 179.57 1nqa h ALA 41 N 1.26 0.68 -0.52 1.53 0.00 -0.67 -0.27 119.26 121.26 1nqa h ALA 41 Ca 0.18 -0.17 -0.07 0.00 0.00 0.00 0.00 54.91 54.84 1nqa h ALA 41 Cb 0.36 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.93 1nqa h ALA 41 CO 0.01 0.31 0.06 1.25 0.00 0.00 0.00 179.25 180.88 1nqa h HIS 42 N 0.70 0.95 -0.01 0.00 -0.00 -1.12 -1.17 115.15 114.50 1nqa h HIS 42 Ca 0.17 -0.14 -0.11 0.00 -0.00 0.00 0.00 60.37 60.29 1nqa h HIS 42 Cb 0.24 -0.26 -0.02 0.00 -0.00 0.00 0.00 27.41 27.38 1nqa h HIS 42 CO 0.01 0.86 -0.52 -0.07 -0.00 0.00 0.00 177.93 178.22 1nqa h LEU 43 N 0.77 0.03 -0.17 0.26 3.38 -1.15 -1.52 115.31 116.90 1nqa h LEU 43 Ca 0.16 -0.01 -0.18 0.00 0.09 0.00 0.00 57.88 57.93 1nqa h LEU 43 Cb 0.44 -0.01 0.01 0.00 0.09 0.00 0.00 40.66 41.19 1nqa h LEU 43 CO 0.02 0.54 -0.60 0.25 0.09 0.00 0.00 178.44 178.74 1nqa h LEU 44 N 0.02 0.82 -0.20 1.67 5.85 -0.85 -3.32 115.31 119.30 1nqa h LEU 44 Ca -0.00 -0.61 -0.11 0.00 0.84 0.00 0.00 57.88 58.00 1nqa h LEU 44 Cb 0.92 -0.24 -0.00 0.00 0.37 0.00 0.00 40.66 41.71 1nqa h LEU 44 CO 0.07 1.28 -0.29 0.50 -0.34 0.00 0.00 178.44 179.66 1nqa h LYS 45 N 0.40 0.55 -4.96 1.25 1.63 -1.10 -3.40 116.57 110.94 1nqa h LYS 45 Ca -0.03 -0.32 -0.66 0.00 -0.85 0.00 0.00 60.65 58.79 1nqa h LYS 45 Cb 1.23 0.03 -0.27 0.00 -0.60 0.00 0.00 32.23 32.61 1nqa h LYS 45 CO 0.13 0.92 -0.70 0.71 -3.45 0.00 0.00 179.45 177.06 1nqa s TYR 46 N -4.18 3.00 -0.13 1.91 2.02 -0.58 -0.40 117.35 118.99 1nqa s TYR 46 Ca -0.13 -0.92 0.03 0.00 -0.37 0.00 0.00 57.07 55.68 1nqa s TYR 46 Cb 0.07 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.50 1nqa s TYR 46 CO 0.80 -0.54 -0.21 0.34 -1.57 0.00 0.00 175.55 174.37 1nqa s ASP 47 N 1.49 2.99 0.60 2.29 -1.08 -1.11 -4.58 116.67 117.27 1nqa s ASP 47 Ca 0.05 -0.57 0.37 0.00 -0.52 0.00 0.00 52.55 51.89 1nqa s ASP 47 Cb -0.15 -1.38 1.87 0.00 -1.46 0.00 0.00 42.92 41.80 1nqa s ASP 47 CO -0.02 0.08 2.18 0.28 0.52 0.00 0.00 175.17 178.21 1nqa h SER 48 N 7.27 0.00 0.00 -0.34 0.02 -1.93 -2.06 113.55 116.50 1nqa h SER 48 Ca -0.31 0.00 -0.19 0.00 -0.84 0.00 0.00 61.79 60.45 1nqa h SER 48 Cb 1.19 0.00 -0.04 0.00 0.14 0.00 0.00 62.40 63.70 1nqa h SER 48 CO 0.53 0.02 -1.73 0.52 -1.14 0.00 0.00 176.83 175.04 1nqa n VAL 49 N -3.19 0.73 -0.33 2.27 0.31 -1.26 -4.74 118.33 112.12 1nqa n VAL 49 Ca -0.01 -0.32 0.07 0.00 -0.01 0.00 0.00 64.34 64.06 1nqa n VAL 49 Cb 0.19 -0.90 0.20 0.00 -0.91 0.00 0.00 33.84 32.42 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 -2.74 0.66 -3.05 3.52 8.25 -1.24 -4.97 115.22 115.64 1nqa n HIS 50 Ca -0.21 -0.55 0.02 0.00 -0.26 0.00 0.00 57.72 56.71 1nqa n HIS 50 Cb 0.77 -0.07 -0.01 0.00 1.12 0.00 0.00 29.99 31.80 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 0.57 -1.86 3.73 -1.41 0.00 -0.78 -4.85 105.19 100.60 1nqa n GLY 51 Ca 0.15 -1.33 -0.41 0.00 0.00 0.00 0.00 46.02 44.43 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 -0.47 4.39 0.16 1.61 3.52 -1.26 -2.75 118.95 124.15 1nqa s ARG 52 Ca 0.00 2.04 -0.31 0.00 -0.13 0.00 0.00 55.73 57.33 1nqa s ARG 52 Cb 0.00 -3.21 -0.10 0.00 -1.56 0.00 0.00 34.95 30.09 1nqa s ARG 52 CO 0.00 -0.27 1.52 -1.17 -0.81 0.00 0.00 175.30 174.58 1nqa s LEU 53 N 0.03 4.37 -1.45 -0.88 2.96 0.47 -4.90 118.68 119.29 1nqa s LEU 53 Ca 0.57 2.57 -0.11 0.00 -0.22 0.00 0.00 54.13 56.94 1nqa s LEU 53 Cb -0.36 -3.59 0.04 0.00 0.50 0.00 0.00 46.19 42.78 1nqa s LEU 53 CO 0.37 -0.78 2.34 -0.67 -1.32 0.00 0.00 176.35 176.29 1nqa n ASP 54 N 3.81 5.58 -3.57 3.68 2.03 -1.26 -4.82 116.55 122.00 1nqa n ASP 54 Ca 0.13 -2.86 -0.05 0.00 0.52 0.00 0.00 54.79 52.52 1nqa n ASP 54 Cb 0.39 -1.57 -0.02 0.00 -0.72 0.00 0.00 41.12 39.20 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 2.01 -2.01 -0.21 -1.67 0.00 -1.26 -5.13 121.76 113.49 1nqa s ALA 55 Ca 0.51 1.46 -0.28 0.00 0.00 0.00 0.00 51.96 53.65 1nqa s ALA 55 Cb 0.14 0.00 0.00 0.00 0.00 0.00 0.00 23.12 23.27 1nqa s ALA 55 CO -0.06 -0.61 0.99 -1.21 0.00 0.00 0.00 175.76 174.87 1nqa s GLU 56 N -2.57 4.28 -0.09 0.00 2.02 -1.26 -4.94 118.70 116.14 1nqa s GLU 56 Ca 0.08 1.29 0.03 0.00 0.02 0.00 0.00 54.97 56.39 1nqa s GLU 56 Cb -0.01 -3.62 0.01 0.00 0.10 0.00 0.00 34.13 30.61 1nqa s GLU 56 CO -0.06 -0.54 -0.19 0.08 0.02 0.00 0.00 175.26 174.58 1nqa s VAL 57 N 2.88 1.65 0.26 2.63 1.01 -1.26 -1.24 120.40 126.33 1nqa s VAL 57 Ca 0.43 -0.77 -0.03 0.00 0.00 0.00 0.00 61.98 61.61 1nqa s VAL 57 Cb -0.16 -1.46 0.01 0.00 0.00 0.00 0.00 36.38 34.78 1nqa s VAL 57 CO 0.09 0.47 0.39 -1.54 0.00 0.00 0.00 175.10 174.51 1nqa n SER 58 N 3.73 -1.11 -4.12 3.32 3.41 -0.41 -5.00 113.62 113.44 1nqa n SER 58 Ca -0.21 -2.31 -0.25 0.00 -0.26 0.00 0.00 58.87 55.84 1nqa n SER 58 Cb 0.52 2.00 -0.16 0.00 -0.26 0.00 0.00 64.21 66.32 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 -2.64 1.36 -0.31 -3.33 1.01 -1.26 -1.23 120.40 114.00 1nqa s VAL 59 Ca 0.19 -0.67 0.01 0.00 0.00 0.00 0.00 61.98 61.50 1nqa s VAL 59 Cb -0.01 -1.17 0.09 0.00 0.00 0.00 0.00 36.38 35.29 1nqa s VAL 59 CO 0.14 0.39 0.06 0.21 0.00 0.00 0.00 175.10 175.91 1nqa s ASN 60 N 0.08 4.24 1.18 3.32 3.84 -0.64 -4.96 114.94 122.00 1nqa s ASN 60 Ca -0.04 -1.75 0.00 0.00 0.21 0.00 0.00 52.86 51.28 1nqa s ASN 60 Cb -0.11 -1.15 0.00 0.00 -0.55 0.00 0.00 41.25 39.43 1nqa s ASN 60 CO 0.02 -0.38 0.00 0.61 -2.79 0.00 0.00 177.10 174.56 1nqa n GLY 61 N 4.63 2.54 0.71 1.21 0.00 -1.26 -2.35 105.19 110.67 1nqa n GLY 61 Ca -0.01 -0.37 0.05 0.00 0.00 0.00 0.00 46.02 45.69 1nqa n GLY 61 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1nqa n ASN 62 N 8.90 1.76 -4.50 1.61 5.15 -1.26 -4.93 115.26 121.99 1nqa n ASN 62 Ca 0.00 -3.78 -0.25 0.00 -0.60 0.00 0.00 54.58 49.96 1nqa n ASN 62 Cb 0.00 -0.51 -0.10 0.00 -0.53 0.00 0.00 39.78 38.64 1nqa n ASN 62 CO 0.00 0.00 0.00 0.20 1.40 0.00 0.00 177.26 178.86 1nqa s ASN 63 N -3.17 3.79 0.30 1.20 0.02 -0.99 -4.17 114.94 111.92 1nqa s ASN 63 Ca 0.38 -0.88 -0.06 0.00 -1.02 0.00 0.00 52.86 51.28 1nqa s ASN 63 Cb 0.37 -0.43 -0.06 0.00 0.02 0.00 0.00 41.25 41.16 1nqa s ASN 63 CO -0.07 0.06 0.59 -0.76 0.02 0.00 0.00 177.10 176.94 1nqa s LEU 64 N -3.28 4.03 -0.17 0.60 1.43 0.01 -1.62 118.68 119.68 1nqa s LEU 64 Ca 0.28 0.81 -0.02 0.00 -1.03 0.00 0.00 54.13 54.16 1nqa s LEU 64 Cb -0.06 -3.63 0.05 0.00 0.03 0.00 0.00 46.19 42.58 1nqa s LEU 64 CO 0.15 -0.22 0.02 -0.69 0.23 0.00 0.00 176.35 175.84 1nqa s VAL 65 N -2.11 0.56 -0.17 -1.59 1.01 -0.37 0.98 120.40 118.72 1nqa s VAL 65 Ca 0.46 -0.44 0.01 0.00 0.00 0.00 0.00 61.98 62.01 1nqa s VAL 65 Cb -0.11 -0.97 0.02 0.00 0.00 0.00 0.00 36.38 35.32 1nqa s VAL 65 CO 0.29 -0.08 -0.20 -0.69 0.00 0.00 0.00 175.10 174.42 1nqa s VAL 66 N 1.85 2.01 -1.40 2.92 1.01 0.27 -1.29 120.40 125.78 1nqa s VAL 66 Ca 0.00 -0.92 -0.06 0.00 0.00 0.00 0.00 61.98 61.00 1nqa s VAL 66 Cb -0.16 -1.82 0.00 0.00 0.00 0.00 0.00 36.38 34.41 1nqa s VAL 66 CO -0.07 0.53 0.37 0.59 0.00 0.00 0.00 175.10 176.52 1nqa n ASN 67 N 4.55 -0.93 0.00 3.32 3.02 -0.37 -1.22 115.26 123.64 1nqa n ASN 67 Ca -0.21 -1.12 0.00 0.00 -0.03 0.00 0.00 54.58 53.22 1nqa n ASN 67 Cb 0.50 -2.51 0.00 0.00 -0.61 0.00 0.00 39.78 37.17 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 -2.14 2.80 3.72 7.41 0.00 -1.26 -5.01 105.19 110.70 1nqa n GLY 68 Ca -0.27 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.40 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 -0.10 3.83 -0.04 1.61 1.02 -0.36 -5.08 119.74 120.63 1nqa s LYS 69 Ca 0.00 -0.27 -0.22 0.00 0.02 0.00 0.00 55.97 55.51 1nqa s LYS 69 Cb 0.00 -3.23 -0.05 0.00 -0.52 0.00 0.00 37.83 34.03 1nqa s LYS 69 CO 0.00 0.43 0.64 -2.00 -0.92 0.00 0.00 175.35 173.50 1nqa s GLU 70 N -0.05 4.38 -0.18 1.68 2.12 -1.26 -0.57 118.70 124.82 1nqa s GLU 70 Ca 0.08 0.79 -0.04 0.00 0.36 0.00 0.00 54.97 56.16 1nqa s GLU 70 Cb -0.12 -3.40 -0.02 0.00 0.26 0.00 0.00 34.13 30.86 1nqa s GLU 70 CO 0.00 0.22 -0.04 0.42 -0.54 0.00 0.00 175.26 175.32 1nqa s ILE 71 N 0.30 3.65 0.18 -3.70 -1.09 0.27 -4.92 121.20 115.89 1nqa s ILE 71 Ca 0.34 -0.42 -0.30 0.00 -2.23 0.00 0.00 60.65 58.03 1nqa s ILE 71 Cb -0.18 -2.62 -0.08 0.00 -1.58 0.00 0.00 42.46 37.99 1nqa s ILE 71 CO 0.17 0.46 1.30 -0.63 -1.23 0.00 0.00 174.94 175.01 1nqa s ILE 72 N 0.87 3.31 -0.19 2.92 1.01 -0.43 -0.81 121.20 127.88 1nqa s ILE 72 Ca -0.01 1.05 -0.03 0.00 0.00 0.00 0.00 60.65 61.66 1nqa s ILE 72 Cb -0.15 -3.67 -0.01 0.00 0.01 0.00 0.00 42.46 38.64 1nqa s ILE 72 CO 0.01 0.14 -0.05 -0.69 0.00 0.00 0.00 174.94 174.35 1nqa s VAL 73 N 0.30 3.47 0.34 2.92 1.01 -1.26 -0.97 120.40 126.22 1nqa s VAL 73 Ca 0.58 -0.48 0.08 0.00 0.00 0.00 0.00 61.98 62.16 1nqa s VAL 73 Cb -0.36 -2.54 -0.05 0.00 0.00 0.00 0.00 36.38 33.43 1nqa s VAL 73 CO 0.36 0.46 0.09 -0.54 0.00 0.00 0.00 175.10 175.47 1nqa s LYS 74 N 0.99 2.24 -0.42 2.72 1.02 -0.29 -4.89 119.74 121.11 1nqa s LYS 74 Ca 0.00 -1.65 0.08 0.00 0.02 0.00 0.00 55.97 54.42 1nqa s LYS 74 Cb -0.15 -2.06 0.30 0.00 -0.52 0.00 0.00 37.83 35.40 1nqa s LYS 74 CO 0.00 0.11 0.82 0.00 -0.92 0.00 0.00 175.35 175.36 1nqa n ALA 75 N -1.07 0.68 -3.69 5.17 0.00 -1.26 -2.60 120.51 117.76 1nqa n ALA 75 Ca -0.03 -2.49 -0.35 0.00 0.00 0.00 0.00 53.44 50.57 1nqa n ALA 75 Cb 0.62 -1.04 -0.14 0.00 0.00 0.00 0.00 19.45 18.88 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 -0.81 3.08 0.13 0.00 0.41 -1.25 -4.93 118.70 115.33 1nqa s GLU 76 Ca 0.33 -0.81 0.25 0.00 -0.41 0.00 0.00 54.97 54.33 1nqa s GLU 76 Cb 0.27 -2.94 0.95 0.00 -1.78 0.00 0.00 34.13 30.63 1nqa s GLU 76 CO -0.11 -0.29 1.78 2.89 -0.49 0.00 0.00 175.26 179.03 1nqa n ARG 77 N 4.72 0.14 -3.60 1.61 1.85 -1.26 -4.45 116.66 115.67 1nqa n ARG 77 Ca -0.18 0.19 -0.40 0.00 -1.00 0.00 0.00 57.85 56.45 1nqa n ARG 77 Cb 0.49 -1.69 -0.10 0.00 -1.05 0.00 0.00 32.46 30.11 1nqa n ARG 77 CO 0.00 0.00 0.00 0.34 -0.01 0.00 0.00 177.63 177.96 1nqa s ASP 78 N -3.85 5.68 0.63 2.89 -1.08 -1.26 -4.97 116.67 114.71 1nqa s ASP 78 Ca 0.10 -1.29 0.30 0.00 -0.52 0.00 0.00 52.55 51.14 1nqa s ASP 78 Cb 0.14 -2.00 1.63 0.00 -1.46 0.00 0.00 42.92 41.22 1nqa s ASP 78 CO 0.51 -0.48 1.97 1.55 0.52 0.00 0.00 175.17 179.24 1nqa h PRO 79 N 8.42 0.00 0.00 4.34 0.13 -1.93 -1.40 132.00 141.56 1nqa h PRO 79 Ca -0.24 0.00 -0.01 0.00 -0.87 0.00 0.00 66.00 64.88 1nqa h PRO 79 Cb 1.09 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.22 1nqa h PRO 79 CO 0.72 0.00 -0.04 1.49 -0.23 0.00 0.00 178.00 179.94 1nqa h GLU 80 N 0.00 0.00 -0.63 0.86 4.81 -1.92 -2.70 114.58 115.00 1nqa h GLU 80 Ca 0.08 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.31 1nqa h GLU 80 Cb 0.75 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.13 1nqa h GLU 80 CO -0.00 0.04 0.00 0.09 -0.73 0.00 0.00 179.01 178.41 1nqa n ASN 81 N -3.25 3.91 0.17 1.04 5.03 -0.53 -4.51 115.26 117.12 1nqa n ASN 81 Ca -0.01 -2.28 0.13 0.00 0.87 0.00 0.00 54.58 53.28 1nqa n ASN 81 Cb 0.22 -0.50 0.36 0.00 -1.02 0.00 0.00 39.78 38.84 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 3.52 0.00 -1.76 3.41 3.38 -1.65 -3.48 115.31 118.73 1nqa h LEU 82 Ca 0.00 0.00 -0.54 0.00 0.09 0.00 0.00 57.88 57.43 1nqa h LEU 82 Cb 1.16 0.00 -0.13 0.00 0.09 0.00 0.00 40.66 41.78 1nqa h LEU 82 CO 0.15 0.00 -0.89 0.00 0.09 0.00 0.00 178.44 177.79 1nqa n ALA 83 N -1.94 -1.84 -0.30 1.53 0.00 -1.26 -4.84 120.51 111.86 1nqa n ALA 83 Ca 0.04 -0.25 0.05 0.00 0.00 0.00 0.00 53.44 53.28 1nqa n ALA 83 Cb 0.43 -1.76 0.26 0.00 0.00 0.00 0.00 19.45 18.37 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 -1.73 1.03 -0.79 0.00 4.06 -1.56 -2.54 115.95 114.42 1nqa h TRP 84 Ca -0.63 0.03 0.06 0.00 2.06 0.00 0.00 58.89 60.41 1nqa h TRP 84 Cb 1.38 -0.33 -0.05 0.00 -1.00 0.00 0.00 29.16 29.16 1nqa h TRP 84 CO 0.53 0.51 0.51 0.78 -3.56 0.00 0.00 178.44 177.21 1nqa h GLY 85 N 0.98 1.08 2.00 1.49 0.00 -1.41 -2.23 103.07 104.98 1nqa h GLY 85 Ca 0.40 -0.35 -0.00 0.00 0.00 0.00 0.00 47.33 47.39 1nqa h GLY 85 CO -0.16 0.26 -0.01 0.83 0.00 0.00 0.00 176.54 177.45 1nqa h GLU 86 N 0.86 0.00 -0.42 4.80 5.08 -1.73 -2.27 114.58 120.91 1nqa h GLU 86 Ca 0.34 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.70 1nqa h GLU 86 Cb 0.21 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.46 1nqa h GLU 86 CO -0.11 0.01 0.00 0.44 -1.00 0.00 0.00 179.01 178.35 1nqa n ILE 87 N -4.31 1.73 -2.54 3.13 -5.35 -0.89 -4.98 119.36 106.17 1nqa n ILE 87 Ca -0.03 -1.37 -0.17 0.00 -0.27 0.00 0.00 62.75 60.91 1nqa n ILE 87 Cb 0.10 0.11 0.01 0.00 -1.74 0.00 0.00 39.64 38.12 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 0.36 -0.29 3.64 3.28 0.00 -0.85 -4.98 105.19 106.35 1nqa n GLY 88 Ca 0.20 -0.14 -0.42 0.00 0.00 0.00 0.00 46.02 45.66 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 -2.91 4.82 -0.16 1.61 1.01 -0.93 -4.62 120.40 119.22 1nqa s VAL 89 Ca 0.10 1.61 0.02 0.00 0.00 0.00 0.00 61.98 63.71 1nqa s VAL 89 Cb -0.04 -4.14 -0.23 0.00 0.00 0.00 0.00 36.38 31.97 1nqa s VAL 89 CO 0.12 -0.09 0.19 0.47 0.00 0.00 0.00 175.10 175.79 1nqa n ASP 90 N 6.05 1.61 -4.25 3.32 8.00 -0.80 -4.33 116.55 126.15 1nqa n ASP 90 Ca 0.06 0.11 -0.32 0.00 0.71 0.00 0.00 54.79 55.35 1nqa n ASP 90 Cb 0.47 -0.36 -0.16 0.00 -0.02 0.00 0.00 41.12 41.05 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 -2.54 2.35 -0.15 0.53 1.01 -0.97 -0.72 121.20 120.70 1nqa s ILE 91 Ca -0.22 -0.90 -0.00 0.00 0.00 0.00 0.00 60.65 59.52 1nqa s ILE 91 Cb 0.07 -1.94 -0.01 0.00 0.01 0.00 0.00 42.46 40.60 1nqa s ILE 91 CO 0.73 0.54 -0.13 -0.69 0.00 0.00 0.00 174.94 175.40 1nqa s VAL 92 N 0.52 3.00 -0.39 2.92 1.01 -0.37 -0.59 120.40 126.49 1nqa s VAL 92 Ca -0.13 -0.67 -0.19 0.00 0.00 0.00 0.00 61.98 61.00 1nqa s VAL 92 Cb -0.17 -2.27 0.01 0.00 0.00 0.00 0.00 36.38 33.95 1nqa s VAL 92 CO 0.05 0.51 0.54 -0.69 0.00 0.00 0.00 175.10 175.51 1nqa s VAL 93 N 0.58 4.97 -0.67 2.92 1.01 0.30 -0.57 120.40 128.95 1nqa s VAL 93 Ca -0.08 0.12 -0.20 0.00 0.00 0.00 0.00 61.98 61.82 1nqa s VAL 93 Cb -0.16 -4.06 0.11 0.00 0.00 0.00 0.00 36.38 32.27 1nqa s VAL 93 CO 0.03 -0.38 0.83 -0.70 0.00 0.00 0.00 175.10 174.88 1nqa s GLU 94 N 2.47 3.16 -0.31 2.72 2.56 -0.14 -0.41 118.70 128.76 1nqa s GLU 94 Ca 0.18 -1.32 0.11 0.00 0.00 0.00 0.00 54.97 53.94 1nqa s GLU 94 Cb -0.15 -4.35 0.46 0.00 2.00 0.00 0.00 34.13 32.09 1nqa s GLU 94 CO 0.15 -1.63 1.15 -1.13 -0.56 0.00 0.00 175.26 173.24 1nqa n SER 95 N 6.58 4.05 0.02 -1.70 3.41 0.45 -1.70 113.62 124.74 1nqa n SER 95 Ca -0.02 -3.34 -0.01 0.00 -0.26 0.00 0.00 58.87 55.23 1nqa n SER 95 Cb 0.44 -0.39 -0.10 0.00 -0.26 0.00 0.00 64.21 63.90 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 -0.63 1.19 -0.17 6.66 -2.24 -1.12 -4.57 114.28 113.40 1nqa n THR 96 Ca 0.34 -0.70 0.00 0.00 -2.27 0.00 0.00 64.05 61.42 1nqa n THR 96 Cb 0.89 -0.72 0.00 0.00 -2.10 0.00 0.00 70.33 68.40 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 1.43 1.27 0.00 3.38 0.00 -1.26 -4.88 105.19 105.13 1nqa n GLY 97 Ca -0.12 0.00 0.08 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 1.01 -2.57 1.61 1.74 -1.26 -4.65 116.66 110.53 1nqa n ARG 98 Ca 0.00 -0.06 -0.27 0.00 -0.77 0.00 0.00 57.85 56.75 1nqa n ARG 98 Cb 0.00 -1.36 -0.01 0.00 -1.02 0.00 0.00 32.46 30.07 1nqa n ARG 98 CO 0.00 0.00 0.00 1.19 -1.52 0.00 0.00 177.63 177.30 1nqa n PHE 99 N -1.67 3.52 0.70 -1.55 3.72 -1.26 -4.77 117.46 116.15 1nqa n PHE 99 Ca 0.01 -3.29 0.13 0.00 -0.05 0.00 0.00 57.45 54.25 1nqa n PHE 99 Cb 0.34 -0.16 0.35 0.00 -0.94 0.00 0.00 39.48 39.06 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 -0.43 0.36 -2.93 4.37 -2.24 -1.26 -3.48 114.28 108.67 1nqa n THR 100 Ca 0.37 -0.21 -0.37 0.00 -2.27 0.00 0.00 64.05 61.58 1nqa n THR 100 Cb 0.61 -0.34 -0.06 0.00 -2.10 0.00 0.00 70.33 68.44 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 -3.10 4.44 0.26 -0.78 1.02 -1.26 -1.95 119.74 118.38 1nqa s LYS 101 Ca 0.10 1.12 -0.01 0.00 0.02 0.00 0.00 55.97 57.19 1nqa s LYS 101 Cb 0.14 -2.86 0.48 0.00 -0.52 0.00 0.00 37.83 35.07 1nqa s LYS 101 CO 0.64 0.35 1.81 -0.09 -0.92 0.00 0.00 175.35 177.14 1nqa h ARG 102 N 3.35 0.82 -0.53 1.68 2.43 -1.49 -1.06 114.38 119.58 1nqa h ARG 102 Ca -0.47 -0.05 0.14 0.00 -0.81 0.00 0.00 59.98 58.79 1nqa h ARG 102 Cb 1.19 -0.19 -0.02 0.00 -0.42 0.00 0.00 29.97 30.53 1nqa h ARG 102 CO 0.65 0.55 0.37 1.05 -1.51 0.00 0.00 179.97 181.08 1nqa h GLU 103 N 0.85 0.07 0.03 0.20 4.11 -1.93 0.18 114.58 118.10 1nqa h GLU 103 Ca 0.45 -0.00 -0.31 0.00 0.07 0.00 0.00 59.36 59.57 1nqa h GLU 103 Cb 0.46 -0.02 -0.04 0.00 0.50 0.00 0.00 28.75 29.66 1nqa h GLU 103 CO -0.27 0.05 -1.70 -0.25 0.07 0.00 0.00 179.01 176.91 1nqa n ASP 104 N -4.41 1.95 -0.01 3.06 8.00 -0.67 -4.21 116.55 120.27 1nqa n ASP 104 Ca 0.09 0.32 0.03 0.00 0.71 0.00 0.00 54.79 55.95 1nqa n ASP 104 Cb 0.55 -0.89 0.40 0.00 -0.02 0.00 0.00 41.12 41.15 1nqa n ASP 104 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1nqa h ALA 105 N -0.39 1.64 0.00 2.24 0.00 -0.98 -1.95 119.26 119.83 1nqa h ALA 105 Ca -0.43 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.42 1nqa h ALA 105 Cb 1.57 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 19.20 1nqa h ALA 105 CO -0.15 0.31 0.00 0.00 0.00 0.00 0.00 179.25 179.40 1nqa h ALA 106 N 1.70 1.00 -0.42 0.00 0.00 -0.82 -2.87 119.26 117.84 1nqa h ALA 106 Ca 0.15 0.00 0.12 0.00 0.00 0.00 0.00 54.91 55.17 1nqa h ALA 106 Cb 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 17.78 1nqa h ALA 106 CO -0.03 0.00 0.30 0.87 0.00 0.00 0.00 179.25 180.39 1nqa h LYS 107 N 0.00 0.03 -0.49 0.00 1.57 -1.52 0.11 116.57 116.27 1nqa h LYS 107 Ca 0.00 -0.00 -0.05 0.00 -1.87 0.00 0.00 60.65 58.73 1nqa h LYS 107 Cb 0.29 -0.01 -0.02 0.00 0.08 0.00 0.00 32.23 32.57 1nqa h LYS 107 CO 0.00 0.02 0.10 0.45 -0.57 0.00 0.00 179.45 179.45 1nqa h HIS 108 N 0.03 0.78 -0.29 -1.35 3.86 -1.70 0.73 115.15 117.20 1nqa h HIS 108 Ca 0.20 -0.07 -0.19 0.00 -1.16 0.00 0.00 60.37 59.15 1nqa h HIS 108 Cb 0.75 -0.23 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1nqa h HIS 108 CO -0.00 0.67 -0.54 -0.07 0.86 0.00 0.00 177.93 178.84 1nqa h LEU 109 N 0.73 0.99 -1.75 2.43 3.38 -1.03 -1.26 115.31 118.79 1nqa h LEU 109 Ca 0.16 -0.53 -0.00 0.00 0.09 0.00 0.00 57.88 57.60 1nqa h LEU 109 Cb 0.30 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.75 1nqa h LEU 109 CO 0.00 1.33 0.14 -0.08 0.09 0.00 0.00 178.44 179.92 1nqa h GLU 110 N 0.68 0.30 -0.17 1.13 4.81 -0.59 -1.35 114.58 119.40 1nqa h GLU 110 Ca 0.02 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.22 1nqa h GLU 110 Cb 1.16 -0.07 0.00 0.00 0.63 0.00 0.00 28.75 30.47 1nqa h GLU 110 CO 0.12 0.21 0.00 0.00 -0.73 0.00 0.00 179.01 178.61 1nqa n ALA 111 N -2.50 2.49 0.00 2.92 0.00 0.18 -4.89 120.51 118.71 1nqa n ALA 111 Ca 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.12 1nqa n ALA 111 Cb 0.08 -1.03 0.00 0.00 0.00 0.00 0.00 19.45 18.51 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 0.83 0.65 3.89 0.00 0.00 -0.51 -1.43 105.19 108.63 1nqa n GLY 112 Ca 0.08 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.81 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 3.19 -0.23 4.61 0.00 -0.53 -3.71 121.76 123.09 1nqa s ALA 113 Ca 0.00 -0.33 0.05 0.00 0.00 0.00 0.00 51.96 51.68 1nqa s ALA 113 Cb 0.00 -2.86 -0.17 0.00 0.00 0.00 0.00 23.12 20.09 1nqa s ALA 113 CO 0.00 -0.66 -0.16 1.63 0.00 0.00 0.00 175.76 176.57 1nqa n LYS 114 N -2.61 0.67 -4.15 0.00 5.02 0.10 -4.42 118.16 112.77 1nqa n LYS 114 Ca 0.04 0.11 -0.15 0.00 -2.02 0.00 0.00 58.31 56.29 1nqa n LYS 114 Cb 0.55 -1.48 -0.13 0.00 -0.02 0.00 0.00 35.03 33.95 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 -2.48 0.53 -0.10 1.97 -0.14 -0.39 -4.83 119.74 114.31 1nqa s LYS 115 Ca -0.28 -0.48 0.02 0.00 -1.36 0.00 0.00 55.97 53.87 1nqa s LYS 115 Cb 0.08 -0.43 0.01 0.00 -1.68 0.00 0.00 37.83 35.81 1nqa s LYS 115 CO 0.60 0.10 -0.17 0.08 -0.76 0.00 0.00 175.35 175.20 1nqa s VAL 116 N -0.71 1.58 -0.39 3.17 1.01 0.36 -1.24 120.40 124.17 1nqa s VAL 116 Ca -0.03 -0.71 -0.06 0.00 0.00 0.00 0.00 61.98 61.18 1nqa s VAL 116 Cb -0.06 -1.41 0.08 0.00 0.00 0.00 0.00 36.38 34.98 1nqa s VAL 116 CO 0.00 0.45 0.20 -0.63 0.00 0.00 0.00 175.10 175.12 1nqa s ILE 117 N 0.76 3.80 -0.17 2.22 1.01 0.27 -0.13 121.20 128.97 1nqa s ILE 117 Ca -0.11 -1.52 -0.29 0.00 0.00 0.00 0.00 60.65 58.72 1nqa s ILE 117 Cb -0.16 -3.35 -0.01 0.00 0.01 0.00 0.00 42.46 38.95 1nqa s ILE 117 CO 0.02 -0.46 1.14 -0.63 0.00 0.00 0.00 174.94 175.01 1nqa s ILE 118 N 1.33 4.48 -0.07 2.92 1.01 0.18 -0.96 121.20 130.09 1nqa s ILE 118 Ca 0.03 1.79 -0.02 0.00 0.00 0.00 0.00 60.65 62.44 1nqa s ILE 118 Cb -0.22 -4.15 -0.05 0.00 0.01 0.00 0.00 42.46 38.04 1nqa s ILE 118 CO 0.00 -0.12 2.56 -1.54 0.00 0.00 0.00 174.94 175.85 1nqa n SER 119 N 6.12 5.52 -3.65 3.58 3.41 -0.69 -1.54 113.62 126.38 1nqa n SER 119 Ca 0.12 -2.56 0.01 0.00 -0.26 0.00 0.00 58.87 56.18 1nqa n SER 119 Cb 0.46 -1.22 -0.00 0.00 -0.26 0.00 0.00 64.21 63.19 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 -0.02 -2.19 0.48 7.33 0.00 -1.20 -4.88 121.76 121.28 1nqa s ALA 120 Ca 0.29 0.48 -0.24 0.00 0.00 0.00 0.00 51.96 52.49 1nqa s ALA 120 Cb 0.15 0.49 -0.08 0.00 0.00 0.00 0.00 23.12 23.69 1nqa s ALA 120 CO -0.02 -1.07 1.29 -2.30 0.00 0.00 0.00 175.76 173.66 1nqa n PRO 121 N -0.57 1.79 -4.43 0.00 -0.02 -1.25 -3.95 135.00 126.57 1nqa n PRO 121 Ca -0.06 0.65 -0.28 0.00 -2.02 0.00 0.00 63.50 61.79 1nqa n PRO 121 Cb 0.62 -2.45 -0.07 0.00 -0.02 0.00 0.00 33.50 31.58 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 -0.62 0.47 -3.57 3.55 0.00 -1.26 -4.90 120.51 114.18 1nqa n ALA 122 Ca 0.08 -2.08 -0.25 0.00 0.00 0.00 0.00 53.44 51.19 1nqa n ALA 122 Cb 0.42 1.24 -0.17 0.00 0.00 0.00 0.00 19.45 20.95 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 -3.63 1.63 -1.65 0.00 3.01 -0.82 -4.78 119.74 113.50 1nqa s LYS 122 Ca 0.08 -0.37 -0.00 0.00 -1.01 0.00 0.00 55.97 54.67 1nqa s LYS 122 Cb 0.00 -1.42 0.00 0.00 -1.01 0.00 0.00 37.83 35.40 1nqa s LYS 122 CO 0.06 -0.04 0.04 0.09 0.51 0.00 0.00 175.35 176.01 1nqa n ASN 123 N 4.07 -5.61 -4.85 2.83 3.02 -1.26 -1.38 115.26 112.08 1nqa n ASN 123 Ca -0.21 -0.04 -0.31 0.00 -0.03 0.00 0.00 54.58 54.00 1nqa n ASN 123 Cb 0.51 -4.63 0.04 0.00 -0.61 0.00 0.00 39.78 35.10 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 -5.02 3.03 0.23 3.52 1.03 -1.26 -4.66 118.70 115.57 1nqa s GLU 124 Ca 0.02 0.75 0.00 0.00 0.03 0.00 0.00 54.97 55.77 1nqa s GLU 124 Cb -0.01 -2.02 0.23 0.00 -0.80 0.00 0.00 34.13 31.54 1nqa s GLU 124 CO 0.02 -0.98 1.58 -0.44 -1.33 0.00 0.00 175.26 174.12 1nqa h ASP 125 N -0.62 0.50 -3.39 0.83 3.32 -1.40 -3.47 116.42 112.19 1nqa h ASP 125 Ca -0.45 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 56.47 1nqa h ASP 125 Cb 1.22 -0.14 -0.26 0.00 0.22 0.00 0.00 39.33 40.37 1nqa h ASP 125 CO 0.60 0.89 0.59 -0.51 -1.72 0.00 0.00 179.24 179.10 1nqa s ILE 126 N -4.10 0.00 -0.21 0.35 2.07 -1.24 -5.01 121.20 113.06 1nqa s ILE 126 Ca -0.06 0.00 -0.08 0.00 -1.41 0.00 0.00 60.65 59.10 1nqa s ILE 126 Cb 0.12 -1.00 -0.04 0.00 0.13 0.00 0.00 42.46 41.67 1nqa s ILE 126 CO 0.82 0.00 0.08 -0.89 -1.91 0.00 0.00 174.94 173.03 1nqa s THR 127 N -0.42 4.74 0.03 4.00 2.01 -1.26 -1.81 115.64 122.93 1nqa s THR 127 Ca 0.02 -0.04 0.08 0.00 0.31 0.00 0.00 61.69 62.07 1nqa s THR 127 Cb -0.03 -3.17 -0.03 0.00 0.01 0.00 0.00 72.50 69.29 1nqa s THR 127 CO -0.05 0.41 -0.25 -0.63 -0.69 0.00 0.00 174.62 173.41 1nqa s ILE 128 N 0.82 2.26 -0.20 1.82 1.01 0.20 -4.64 121.20 122.47 1nqa s ILE 128 Ca 0.04 -1.27 -0.01 0.00 0.00 0.00 0.00 60.65 59.41 1nqa s ILE 128 Cb -0.13 -1.87 0.05 0.00 0.01 0.00 0.00 42.46 40.52 1nqa s ILE 128 CO 0.02 0.42 -0.03 -0.69 0.00 0.00 0.00 174.94 174.66 1nqa s VAL 129 N -0.78 1.11 0.22 2.92 1.01 -1.26 -4.14 120.40 119.48 1nqa s VAL 129 Ca 0.12 -0.84 -0.32 0.00 0.00 0.00 0.00 61.98 60.94 1nqa s VAL 129 Cb -0.10 -1.41 -0.13 0.00 0.00 0.00 0.00 36.38 34.74 1nqa s VAL 129 CO 0.02 -0.05 1.61 0.23 0.00 0.00 0.00 175.10 176.91 1nqa n MET 130 N 4.84 2.49 0.00 2.72 0.00 -1.26 -1.20 117.12 124.72 1nqa n MET 130 Ca -0.11 0.89 0.00 0.00 0.00 0.00 0.00 57.70 58.48 1nqa n MET 130 Cb 0.46 -2.68 0.00 0.00 0.00 0.00 0.00 33.22 31.00 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 3.16 0.74 0.10 3.03 0.00 -1.26 -4.87 105.19 106.09 1nqa n GLY 131 Ca 0.14 0.00 -0.01 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 0.09 -2.07 1.61 0.31 -0.34 -4.94 118.33 110.99 1nqa n VAL 132 Ca 0.00 -0.03 -0.01 0.00 -0.01 0.00 0.00 64.34 64.28 1nqa n VAL 132 Cb 0.00 -0.65 -0.02 0.00 -0.91 0.00 0.00 33.84 32.27 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 -2.60 -0.13 0.25 4.52 6.94 -1.03 -4.89 115.26 118.32 1nqa n ASN 133 Ca -0.03 -1.61 0.17 0.00 -0.02 0.00 0.00 54.58 53.10 1nqa n ASN 133 Cb 0.53 0.00 0.85 0.00 -2.36 0.00 0.00 39.78 38.80 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 0.14 0.00 0.00 -3.83 -0.00 -1.94 -0.82 115.11 108.66 1nqa h GLN 134 Ca -0.19 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.46 1nqa h GLN 134 Cb 1.31 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.79 1nqa h GLN 134 CO -0.06 0.00 0.00 0.38 -0.00 0.00 0.00 178.83 179.15 1nqa h ASP 135 N 0.00 0.00 0.59 0.06 2.03 -1.95 -1.66 116.42 115.48 1nqa h ASP 135 Ca 0.00 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.30 1nqa h ASP 135 Cb 0.17 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.67 1nqa h ASP 135 CO 0.00 0.00 -0.29 0.29 -1.03 0.00 0.00 179.24 178.21 1nqa n LYS 136 N -2.32 0.17 -1.93 4.15 4.76 -0.31 -4.89 118.16 117.80 1nqa n LYS 136 Ca 0.01 -0.08 -0.42 0.00 -2.87 0.00 0.00 58.31 54.95 1nqa n LYS 136 Cb 0.16 -1.50 -0.02 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 -2.88 2.97 -0.27 2.13 5.04 -0.63 -5.00 117.35 118.72 1nqa s TYR 137 Ca 0.16 0.82 0.02 0.00 -2.44 0.00 0.00 57.07 55.62 1nqa s TYR 137 Cb 0.18 -3.92 0.07 0.00 0.35 0.00 0.00 41.96 38.65 1nqa s TYR 137 CO 0.61 -3.16 -0.02 0.34 -1.34 0.00 0.00 175.55 171.97 1nqa s ASP 138 N 0.67 4.14 0.53 4.32 -1.08 -1.26 -5.01 116.67 118.98 1nqa s ASP 138 Ca 0.64 -1.46 0.31 0.00 -0.52 0.00 0.00 52.55 51.52 1nqa s ASP 138 Cb -0.44 -1.28 1.46 0.00 -1.46 0.00 0.00 42.92 41.20 1nqa s ASP 138 CO 0.40 -0.28 1.88 1.55 0.52 0.00 0.00 175.17 179.24 1nqa h PRO 138 N 7.88 0.03 0.11 4.34 0.13 -1.90 0.17 132.00 142.75 1nqa h PRO 138 Ca -0.15 -0.00 -0.28 0.00 -0.87 0.00 0.00 66.00 64.71 1nqa h PRO 138 Cb 1.05 -0.01 0.03 0.00 0.13 0.00 0.00 31.00 32.20 1nqa h PRO 138 CO 0.45 0.02 -1.14 -0.22 -0.23 0.00 0.00 178.00 176.87 1nqa h LYS 139 N 0.03 0.58 -0.00 0.86 1.63 -1.95 -3.37 116.57 114.36 1nqa h LYS 139 Ca 0.45 -0.77 0.00 0.00 -0.85 0.00 0.00 60.65 59.48 1nqa h LYS 139 Cb 1.74 0.25 0.00 0.00 -0.60 0.00 0.00 32.23 33.62 1nqa h LYS 139 CO -0.02 1.34 -0.95 0.00 -3.45 0.00 0.00 179.45 176.38 1nqa n ALA 140 N -2.67 4.65 -3.56 5.00 0.00 -0.83 -4.92 120.51 118.18 1nqa n ALA 140 Ca -0.13 -0.59 -0.35 0.00 0.00 0.00 0.00 53.44 52.37 1nqa n ALA 140 Cb 0.94 -0.79 -0.14 0.00 0.00 0.00 0.00 19.45 19.46 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 -2.98 2.96 0.00 0.00 3.76 0.52 -4.91 115.29 114.65 1nqa s HIS 141 Ca 0.09 -1.05 0.00 0.00 -0.15 0.00 0.00 55.06 53.95 1nqa s HIS 141 Cb 0.16 -2.09 0.00 0.00 1.11 0.00 0.00 32.58 31.76 1nqa s HIS 141 CO 0.85 -0.58 0.00 0.72 -0.85 0.00 0.00 174.74 174.87 1nqa n HIS 142 N 4.78 0.00 -3.80 1.40 -0.00 -1.26 -4.72 115.22 111.62 1nqa n HIS 142 Ca -0.18 0.00 -0.36 0.00 -0.00 0.00 0.00 57.72 57.18 1nqa n HIS 142 Cb 0.50 0.00 -0.12 0.00 -0.00 0.00 0.00 29.99 30.37 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 -1.53 3.24 -0.03 1.59 1.01 -1.26 -0.49 120.40 122.92 1nqa s VAL 143 Ca 0.00 -1.99 0.02 0.00 0.00 0.00 0.00 61.98 60.02 1nqa s VAL 143 Cb 0.00 -3.19 -0.03 0.00 0.00 0.00 0.00 36.38 33.16 1nqa s VAL 143 CO 0.00 -0.63 -0.08 -0.63 0.00 0.00 0.00 175.10 173.76 1nqa s ILE 144 N 1.15 3.57 -0.09 2.22 1.09 0.82 -0.91 121.20 129.05 1nqa s ILE 144 Ca 0.07 -0.65 -0.02 0.00 -1.10 0.00 0.00 60.65 58.95 1nqa s ILE 144 Cb -0.22 -2.49 -0.03 0.00 -1.06 0.00 0.00 42.46 38.66 1nqa s ILE 144 CO -0.04 0.51 0.01 -0.55 -0.10 0.00 0.00 174.94 174.77 1nqa s SER 145 N -1.06 5.27 -0.08 3.58 0.15 -0.75 0.49 113.70 121.30 1nqa s SER 145 Ca 0.14 0.14 0.19 0.00 0.70 0.00 0.00 55.95 57.13 1nqa s SER 145 Cb -0.11 -1.51 0.70 0.00 -1.71 0.00 0.00 66.02 63.39 1nqa s SER 145 CO 0.04 0.37 1.60 -3.20 1.20 0.00 0.00 173.24 173.25 1nqa n ASN 146 N 2.21 4.53 -0.68 5.45 4.05 -0.59 -0.63 115.26 129.61 1nqa n ASN 146 Ca -0.19 -2.33 0.00 0.00 0.45 0.00 0.00 54.58 52.52 1nqa n ASN 146 Cb 0.54 -0.55 0.00 0.00 1.23 0.00 0.00 39.78 40.99 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 1.25 0.00 -2.17 5.20 0.00 -1.25 -4.80 120.51 118.74 1nqa n ALA 147 Ca 0.25 0.00 -0.22 0.00 0.00 0.00 0.00 53.44 53.48 1nqa n ALA 147 Cb 0.82 0.00 0.02 0.00 0.00 0.00 0.00 19.45 20.29 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 5.59 0.29 0.00 1.04 -1.26 -3.24 113.70 112.12 1nqa s SER 148 Ca 0.00 0.11 0.04 0.00 0.48 0.00 0.00 55.95 56.58 1nqa s SER 148 Cb 0.00 -1.20 0.43 0.00 0.10 0.00 0.00 66.02 65.34 1nqa s SER 148 CO 0.00 -0.88 1.70 0.00 0.98 0.00 0.00 173.24 175.04 1nqa h ALA 149 N 0.29 1.09 -0.64 5.32 0.00 -1.89 -2.33 119.26 121.11 1nqa h ALA 149 Ca -0.44 -0.39 -0.05 0.00 0.00 0.00 0.00 54.91 54.03 1nqa h ALA 149 Cb 1.27 -0.10 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1nqa h ALA 149 CO 0.54 0.58 0.19 1.15 0.00 0.00 0.00 179.25 181.71 1nqa h THR 150 N 0.30 1.25 -0.12 0.00 2.02 -1.95 -1.72 112.91 112.69 1nqa h THR 150 Ca 0.03 -0.86 -0.11 0.00 0.77 0.00 0.00 66.41 66.25 1nqa h THR 150 Cb 0.76 0.60 -0.01 0.00 -1.74 0.00 0.00 68.15 67.76 1nqa h THR 150 CO 0.06 0.33 -0.40 0.74 0.37 0.00 0.00 175.52 176.62 1nqa h THR 151 N 0.92 1.30 0.00 3.16 2.02 -1.80 -0.75 112.91 117.76 1nqa h THR 151 Ca 0.21 -1.49 -0.01 0.00 0.77 0.00 0.00 66.41 65.88 1nqa h THR 151 Cb 0.30 1.65 -0.00 0.00 -1.74 0.00 0.00 68.15 68.37 1nqa h THR 151 CO -0.01 0.45 -0.05 0.78 0.37 0.00 0.00 175.52 177.06 1nqa h ASN 152 N 0.22 0.00 0.00 4.18 4.21 -1.02 -0.41 115.58 122.76 1nqa h ASN 152 Ca 0.02 0.00 -0.11 0.00 1.21 0.00 0.00 56.30 57.43 1nqa h ASN 152 Cb 0.80 0.00 -0.02 0.00 -1.12 0.00 0.00 38.32 37.99 1nqa h ASN 152 CO 0.06 0.05 -0.57 0.00 -1.29 0.00 0.00 177.43 175.68 1nqa h LEU 154 N -1.00 -0.40 -0.79 0.00 5.85 -1.12 -3.35 115.31 114.50 1nqa h LEU 154 Ca -0.16 -0.15 0.18 0.00 0.84 0.00 0.00 57.88 58.59 1nqa h LEU 154 Cb 1.14 0.10 -0.14 0.00 0.37 0.00 0.00 40.66 42.13 1nqa h LEU 154 CO -0.10 -0.02 0.00 0.00 -0.34 0.00 0.00 178.44 177.99 1nqa h ALA 155 N -0.35 0.82 -0.81 1.25 0.00 -1.30 -0.87 119.26 118.01 1nqa h ALA 155 Ca -0.05 0.25 0.06 0.00 0.00 0.00 0.00 54.91 55.18 1nqa h ALA 155 Cb 0.53 0.44 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1nqa h ALA 155 CO 0.08 -0.43 0.49 -1.35 0.00 0.00 0.00 179.25 178.03 1nqa h PRO 156 N 0.09 0.86 0.00 0.00 0.11 -1.76 -0.98 132.00 130.33 1nqa h PRO 156 Ca 0.43 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 66.49 1nqa h PRO 156 Cb 0.78 -0.19 0.00 0.00 0.11 0.00 0.00 31.00 31.69 1nqa h PRO 156 CO -0.70 0.57 -0.82 0.27 -0.21 0.00 0.00 178.00 177.11 1nqa h PHE 157 N 0.88 0.00 -0.05 0.65 -5.15 -1.59 -3.16 116.94 108.52 1nqa h PHE 157 Ca 0.36 0.00 -0.12 0.00 -0.20 0.00 0.00 57.97 58.00 1nqa h PHE 157 Cb 0.19 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 36.34 1nqa h PHE 157 CO -0.05 0.00 -0.52 0.00 -2.00 0.00 0.00 178.31 175.74 1nqa h ALA 158 N 2.10 1.03 -0.16 12.09 0.00 -0.91 -1.01 119.26 132.41 1nqa h ALA 158 Ca 0.00 -0.48 -0.02 0.00 0.00 0.00 0.00 54.91 54.41 1nqa h ALA 158 Cb 0.95 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.65 1nqa h ALA 158 CO 0.00 0.66 0.04 -0.22 0.00 0.00 0.00 179.25 179.73 1nqa h LYS 159 N 0.11 0.25 0.16 0.00 3.64 -1.20 -0.95 116.57 118.59 1nqa h LYS 159 Ca 0.00 -0.06 -0.01 0.00 -1.27 0.00 0.00 60.65 59.31 1nqa h LYS 159 Cb 0.96 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 32.75 1nqa h LYS 159 CO 0.08 0.40 -0.08 0.28 -2.27 0.00 0.00 179.45 177.86 1nqa h VAL 160 N 0.06 0.85 -0.62 2.00 2.07 -1.46 -0.96 116.25 118.19 1nqa h VAL 160 Ca 0.05 -0.06 0.05 0.00 0.82 0.00 0.00 66.70 67.56 1nqa h VAL 160 Cb 0.26 0.89 -0.05 0.00 -1.52 0.00 0.00 31.29 30.87 1nqa h VAL 160 CO 0.00 0.01 0.34 -0.07 0.02 0.00 0.00 177.57 177.88 1nqa h LEU 161 N -0.25 0.51 -0.22 2.57 3.38 -1.15 -0.63 115.31 119.53 1nqa h LEU 161 Ca -0.02 0.03 -0.06 0.00 0.09 0.00 0.00 57.88 57.91 1nqa h LEU 161 Cb 0.19 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 1nqa h LEU 161 CO 0.04 0.34 -0.10 -0.74 0.09 0.00 0.00 178.44 178.07 1nqa h HIS 162 N 0.64 0.51 -0.51 1.13 2.76 -1.07 0.71 115.15 119.33 1nqa h HIS 162 Ca 0.27 -0.12 -0.06 0.00 -2.20 0.00 0.00 60.37 58.25 1nqa h HIS 162 Cb 0.15 -0.12 -0.02 0.00 1.55 0.00 0.00 27.41 28.97 1nqa h HIS 162 CO -0.08 0.72 0.05 0.93 -1.30 0.00 0.00 177.93 178.25 1nqa h GLU 163 N 0.16 0.82 0.07 5.26 5.08 -0.96 -0.46 114.58 124.54 1nqa h GLU 163 Ca 0.05 -0.20 -0.33 0.00 -1.00 0.00 0.00 59.36 57.88 1nqa h GLU 163 Cb 0.58 -0.11 -0.03 0.00 0.50 0.00 0.00 28.75 29.70 1nqa h GLU 163 CO 0.03 0.79 -1.83 1.96 -1.00 0.00 0.00 179.01 178.95 1nqa h GLN 164 N 0.77 0.16 0.00 2.33 1.08 -1.12 -3.43 115.11 114.90 1nqa h GLN 164 Ca 0.16 -0.27 0.00 0.00 -1.45 0.00 0.00 58.65 57.09 1nqa h GLN 164 Cb 0.39 0.10 0.00 0.00 -0.05 0.00 0.00 27.48 27.92 1nqa h GLN 164 CO 0.01 0.91 -0.87 1.19 -0.95 0.00 0.00 178.83 179.12 1nqa n PHE 165 N -3.30 0.00 -0.53 2.96 3.72 0.16 -4.99 117.46 115.48 1nqa n PHE 165 Ca -0.24 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.16 1nqa n PHE 165 Cb 1.05 0.00 0.00 0.00 -0.94 0.00 0.00 39.48 39.59 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 2.25 -2.75 3.68 1.37 0.00 -0.18 -1.72 105.19 107.84 1nqa n GLY 166 Ca 0.00 -0.79 -0.38 0.00 0.00 0.00 0.00 46.02 44.85 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 5.21 -0.17 -0.61 1.01 -1.26 -0.10 121.20 125.27 1nqa s ILE 167 Ca 0.00 0.70 -0.23 0.00 0.00 0.00 0.00 60.65 61.12 1nqa s ILE 167 Cb 0.00 -3.72 -0.20 0.00 0.01 0.00 0.00 42.46 38.55 1nqa s ILE 167 CO 0.00 0.27 0.40 0.58 0.00 0.00 0.00 174.94 176.19 1nqa h VAL 168 N 4.99 1.17 -2.27 2.92 2.07 -1.10 -3.47 116.25 120.56 1nqa h VAL 168 Ca -0.37 -2.12 0.12 0.00 0.82 0.00 0.00 66.70 65.15 1nqa h VAL 168 Cb 1.16 2.46 -0.15 0.00 -1.52 0.00 0.00 31.29 33.24 1nqa h VAL 168 CO 0.72 0.40 0.50 0.00 0.02 0.00 0.00 177.57 179.20 1nqa s ARG 169 N -2.26 0.84 0.00 1.57 1.70 -1.21 -4.85 118.95 114.74 1nqa s ARG 169 Ca -0.23 -0.32 -0.29 0.00 -0.47 0.00 0.00 55.73 54.43 1nqa s ARG 169 Cb 0.02 0.38 0.10 0.00 -0.57 0.00 0.00 34.95 34.87 1nqa s ARG 169 CO 0.58 -0.37 0.91 0.20 -1.08 0.00 0.00 175.30 175.55 1nqa s GLY 170 N -2.51 -0.43 -0.01 3.88 0.00 -0.40 -0.30 107.32 107.55 1nqa s GLY 170 Ca 0.05 0.94 0.03 0.00 0.00 0.00 0.00 44.72 45.74 1nqa s GLY 170 CO -0.08 0.31 -0.10 1.06 0.00 0.00 0.00 173.10 174.28 1nqa s MET 171 N -3.11 0.87 0.23 2.90 -1.94 -0.36 -2.40 119.30 115.50 1nqa s MET 171 Ca 0.06 -0.37 0.09 0.00 -1.71 0.00 0.00 55.69 53.76 1nqa s MET 171 Cb -0.01 -0.84 -0.05 0.00 2.01 0.00 0.00 34.83 35.95 1nqa s MET 171 CO -0.08 0.22 -0.16 0.00 -0.01 0.00 0.00 175.02 174.99 1nqa s MET 172 N -0.21 1.45 -0.02 2.03 0.23 -0.15 -1.63 119.30 121.00 1nqa s MET 172 Ca 0.04 -1.65 0.00 0.00 -1.03 0.00 0.00 55.69 53.04 1nqa s MET 172 Cb -0.04 -1.34 0.02 0.00 -1.53 0.00 0.00 34.83 31.94 1nqa s MET 172 CO -0.00 0.23 0.02 0.99 -2.03 0.00 0.00 175.02 174.23 1nqa s THR 173 N -2.82 -0.02 -0.25 3.16 2.01 -0.65 -1.53 115.64 115.54 1nqa s THR 173 Ca 0.25 0.15 -0.04 0.00 0.31 0.00 0.00 61.69 62.37 1nqa s THR 173 Cb -0.02 -0.08 0.01 0.00 0.01 0.00 0.00 72.50 72.41 1nqa s THR 173 CO 0.10 0.07 -0.01 0.28 -0.69 0.00 0.00 174.62 174.37 1nqa s THR 174 N 0.82 3.38 -0.60 -0.82 -1.32 -0.50 -1.15 115.64 115.44 1nqa s THR 174 Ca -0.07 -0.72 -0.25 0.00 -1.21 0.00 0.00 61.69 59.45 1nqa s THR 174 Cb -0.10 -2.65 0.04 0.00 -1.51 0.00 0.00 72.50 68.28 1nqa s THR 174 CO -0.02 0.26 1.03 -0.69 -2.21 0.00 0.00 174.62 172.98 1nqa s VAL 175 N 1.44 4.24 -0.04 5.08 1.01 -0.57 -1.00 120.40 130.56 1nqa s VAL 175 Ca 0.03 0.26 0.03 0.00 0.00 0.00 0.00 61.98 62.30 1nqa s VAL 175 Cb -0.16 -4.64 -0.03 0.00 0.00 0.00 0.00 36.38 31.55 1nqa s VAL 175 CO -0.02 -1.31 -0.12 -2.28 0.00 0.00 0.00 175.10 171.36 1nqa s HIS 176 N 4.35 2.76 0.76 5.22 5.04 -0.07 -1.47 115.29 131.88 1nqa s HIS 176 Ca 0.31 -0.12 -0.13 0.00 -1.54 0.00 0.00 55.06 53.58 1nqa s HIS 176 Cb -0.12 -1.62 0.05 0.00 0.04 0.00 0.00 32.58 30.93 1nqa s HIS 176 CO 0.18 0.25 1.16 -1.12 -2.34 0.00 0.00 174.74 172.86 1nqa s SER 177 N -0.92 4.19 0.72 9.88 0.01 -1.24 -0.67 113.70 125.66 1nqa s SER 177 Ca 0.13 2.17 -0.12 0.00 1.31 0.00 0.00 55.95 59.44 1nqa s SER 177 Cb -0.11 -2.57 0.03 0.00 0.21 0.00 0.00 66.02 63.58 1nqa s SER 177 CO 0.02 -2.26 1.09 -0.72 0.41 0.00 0.00 173.24 171.78 1nqa s TYR 178 N -2.33 2.74 0.39 2.43 -0.85 -0.66 -4.71 117.35 114.36 1nqa s TYR 178 Ca 0.69 1.52 0.04 0.00 -0.52 0.00 0.00 57.07 58.80 1nqa s TYR 178 Cb -0.24 -3.03 -0.03 0.00 0.38 0.00 0.00 41.96 39.04 1nqa s TYR 178 CO 0.48 -1.59 0.13 0.95 -1.52 0.00 0.00 175.55 174.00 1nqa s THR 179 N -2.77 0.59 -1.79 -3.49 -4.23 -1.26 -4.71 115.64 97.98 1nqa s THR 179 Ca 0.62 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 59.24 1nqa s THR 179 Cb -0.17 -2.40 0.28 0.00 1.34 0.00 0.00 72.50 71.55 1nqa s THR 179 CO 0.51 0.00 1.17 0.59 -0.54 0.00 0.00 174.62 176.35 1nqa n ASN 180 N -1.24 0.00 -0.15 3.99 3.02 -1.26 -1.67 115.26 117.95 1nqa n ASN 180 Ca -0.04 -0.19 0.13 0.00 -0.03 0.00 0.00 54.58 54.45 1nqa n ASN 180 Cb 0.65 -0.10 0.43 0.00 -0.61 0.00 0.00 39.78 40.15 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 -1.10 0.73 -4.06 6.41 2.03 -1.26 -4.89 116.55 114.41 1nqa n ASP 181 Ca 0.07 -0.62 -0.18 0.00 0.52 0.00 0.00 54.79 54.59 1nqa n ASP 181 Cb 0.06 0.07 0.09 0.00 -0.72 0.00 0.00 41.12 40.61 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 -0.92 0.17 -4.55 -0.67 6.02 -0.67 -4.97 117.38 111.78 1nqa n GLN 182 Ca 0.11 -2.20 -0.30 0.00 -0.01 0.00 0.00 57.00 54.61 1nqa n GLN 182 Cb 0.33 -0.46 -0.13 0.00 1.02 0.00 0.00 30.24 31.00 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 -4.44 1.69 -0.03 -1.09 1.81 -1.13 -5.02 118.95 110.75 1nqa s ARG 183 Ca 0.51 -1.19 -0.25 0.00 -1.72 0.00 0.00 55.73 53.08 1nqa s ARG 183 Cb -0.03 -2.01 -0.20 0.00 -0.45 0.00 0.00 34.95 32.26 1nqa s ARG 183 CO 0.34 0.49 1.19 0.82 -0.68 0.00 0.00 175.30 177.45 1nqa h ILE 184 N 3.91 1.29 -2.49 1.52 2.04 -1.90 0.90 117.51 122.79 1nqa h ILE 184 Ca -0.49 -1.17 -0.39 0.00 1.00 0.00 0.00 64.86 63.82 1nqa h ILE 184 Cb 1.16 2.05 -0.36 0.00 -0.74 0.00 0.00 36.82 38.93 1nqa h ILE 184 CO 0.43 0.29 -0.68 -0.76 0.00 0.00 0.00 178.15 177.43 1nqa s LEU 185 N -9.17 0.04 0.00 1.44 1.43 -1.26 -3.93 118.68 107.23 1nqa s LEU 185 Ca -0.16 -0.72 0.00 0.00 -1.03 0.00 0.00 54.13 52.23 1nqa s LEU 185 Cb 0.01 0.20 0.00 0.00 0.03 0.00 0.00 46.19 46.43 1nqa s LEU 185 CO 0.64 -0.38 0.00 0.47 0.23 0.00 0.00 176.35 177.31 1nqa n ASP 186 N 5.30 0.00 -4.34 2.29 9.92 -1.16 -4.84 116.55 123.72 1nqa n ASP 186 Ca -0.04 0.00 -0.19 0.00 -0.53 0.00 0.00 54.79 54.03 1nqa n ASP 186 Cb 0.46 0.00 -0.10 0.00 -0.64 0.00 0.00 41.12 40.84 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 2.53 0.34 0.64 1.43 -0.02 -4.99 118.68 118.62 1nqa s LEU 187 Ca 0.00 -0.99 -0.28 0.00 -1.03 0.00 0.00 54.13 51.83 1nqa s LEU 187 Cb 0.00 -0.68 -0.12 0.00 0.03 0.00 0.00 46.19 45.42 1nqa s LEU 187 CO 0.00 -0.16 1.38 -2.65 0.23 0.00 0.00 176.35 175.15 1nqa n PRO 188 N -0.25 2.33 -3.59 1.29 -0.02 -1.26 -4.49 135.00 129.00 1nqa n PRO 188 Ca -0.09 0.82 -0.16 0.00 -2.02 0.00 0.00 63.50 62.05 1nqa n PRO 188 Cb 0.60 -2.46 -0.07 0.00 -0.02 0.00 0.00 33.50 31.55 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 -0.94 -0.70 0.30 6.00 2.46 -1.26 -4.94 115.29 116.21 1nqa s HIS 190 Ca 0.56 1.48 0.04 0.00 0.47 0.00 0.00 55.06 57.61 1nqa s HIS 190 Cb -0.54 0.32 0.65 0.00 -0.13 0.00 0.00 32.58 32.88 1nqa s HIS 190 CO 0.61 -0.47 1.82 0.87 -2.47 0.00 0.00 174.74 175.09 1nqa h LYS 191 N 4.11 0.86 -4.97 2.88 1.57 -1.98 -3.33 116.57 115.70 1nqa h LYS 191 Ca -0.28 -0.05 -0.68 0.00 -1.87 0.00 0.00 60.65 57.76 1nqa h LYS 191 Cb 1.15 -0.19 -0.18 0.00 0.08 0.00 0.00 32.23 33.09 1nqa h LYS 191 CO 0.22 0.57 -0.15 0.34 -0.57 0.00 0.00 179.45 179.86 1nqa s ASP 192 N -5.61 6.22 0.16 0.86 -1.08 -1.26 -4.94 116.67 111.02 1nqa s ASP 192 Ca -0.11 -0.58 0.13 0.00 -0.52 0.00 0.00 52.55 51.46 1nqa s ASP 192 Cb 0.23 -2.24 0.64 0.00 -1.46 0.00 0.00 42.92 40.10 1nqa s ASP 192 CO 0.80 -0.60 1.40 0.18 0.52 0.00 0.00 175.17 177.47 1nqa n LEU 193 N 5.70 0.30 -0.01 -1.34 4.77 -1.25 -1.71 117.00 123.45 1nqa n LEU 193 Ca -0.06 0.62 -0.21 0.00 -0.03 0.00 0.00 56.01 56.33 1nqa n LEU 193 Cb 0.48 -0.64 -0.13 0.00 -2.33 0.00 0.00 43.42 40.79 1nqa n LEU 193 CO 0.47 -0.66 -0.30 0.03 -1.33 0.00 0.00 177.39 175.60 1nqa h ARG 194 N 0.00 0.18 0.00 3.23 2.47 -1.91 -3.32 114.38 115.03 1nqa h ARG 194 Ca 0.00 -0.31 0.00 0.00 -1.26 0.00 0.00 59.98 58.41 1nqa h ARG 194 Cb 0.07 0.12 0.00 0.00 -1.65 0.00 0.00 29.97 28.51 1nqa h ARG 194 CO 0.00 1.15 0.00 0.54 0.56 0.00 0.00 179.97 182.22 1nqa n ARG 195 N -4.09 0.16 0.11 0.04 1.74 -0.70 -2.07 116.66 111.86 1nqa n ARG 195 Ca -0.23 0.17 0.13 0.00 -0.77 0.00 0.00 57.85 57.15 1nqa n ARG 195 Cb 0.81 -1.50 0.38 0.00 -1.02 0.00 0.00 32.46 31.13 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 2.63 0.99 -2.42 7.54 0.00 -1.56 -2.99 119.26 123.46 1nqa h ALA 196 Ca 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 54.91 54.40 1nqa h ALA 196 Cb 0.15 0.00 -0.03 0.00 0.00 0.00 0.00 17.79 17.91 1nqa h ALA 196 CO 0.00 0.00 0.06 1.03 0.00 0.00 0.00 179.25 180.34 1nqa s ARG 197 N -3.11 4.05 -0.54 0.00 1.81 -0.88 -0.84 118.95 119.45 1nqa s ARG 197 Ca 0.10 0.67 -0.41 0.00 -1.72 0.00 0.00 55.73 54.37 1nqa s ARG 197 Cb 0.12 -2.63 -0.19 0.00 -0.45 0.00 0.00 34.95 31.80 1nqa s ARG 197 CO 0.61 0.27 2.15 0.00 -0.68 0.00 0.00 175.30 177.65 1nqa n ALA 198 N 0.08 0.22 -0.19 2.13 0.00 -1.26 -4.39 120.51 117.11 1nqa n ALA 198 Ca 0.01 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.60 1nqa n ALA 198 Cb 0.52 -2.05 0.29 0.00 0.00 0.00 0.00 19.45 18.21 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 9.10 1.54 -0.38 0.00 0.00 -0.93 -2.74 119.26 125.84 1nqa h ALA 199 Ca -0.09 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.78 1nqa h ALA 199 Cb 1.37 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1nqa h ALA 199 CO 1.09 0.40 0.00 0.00 0.00 0.00 0.00 179.25 180.75 1nqa n ALA 200 N -2.43 2.45 0.08 0.00 0.00 -1.26 -4.12 120.51 115.22 1nqa n ALA 200 Ca 0.08 -0.77 0.07 0.00 0.00 0.00 0.00 53.44 52.82 1nqa n ALA 200 Cb 0.08 -0.98 -0.10 0.00 0.00 0.00 0.00 19.45 18.45 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 0.82 0.73 -4.18 0.00 -0.58 -1.04 -4.78 120.64 111.61 1nqa n GLU 201 Ca 0.16 -0.10 -0.12 0.00 -0.42 0.00 0.00 57.16 56.68 1nqa n GLU 201 Cb 0.41 -1.28 -0.09 0.00 -0.57 0.00 0.00 31.44 29.90 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 -3.33 0.25 -0.27 1.62 0.01 -1.22 -5.05 113.70 105.70 1nqa s SER 202 Ca -0.03 -1.37 -0.18 0.00 1.31 0.00 0.00 55.95 55.68 1nqa s SER 202 Cb 0.09 0.42 -0.02 0.00 0.21 0.00 0.00 66.02 66.71 1nqa s SER 202 CO 0.54 -0.90 0.51 -0.63 0.41 0.00 0.00 173.24 173.17 1nqa s ILE 203 N -4.07 5.07 -0.35 1.44 1.01 -1.26 -4.16 121.20 118.88 1nqa s ILE 203 Ca 0.37 0.79 0.00 0.00 0.00 0.00 0.00 60.65 61.82 1nqa s ILE 203 Cb 0.06 -3.84 0.09 0.00 0.01 0.00 0.00 42.46 38.78 1nqa s ILE 203 CO 0.13 0.05 0.08 -0.63 0.00 0.00 0.00 174.94 174.57 1nqa s ILE 204 N 2.31 2.76 0.29 2.92 1.01 0.43 -4.95 121.20 125.97 1nqa s ILE 204 Ca 0.20 -1.98 -0.29 0.00 0.00 0.00 0.00 60.65 58.58 1nqa s ILE 204 Cb -0.16 -2.85 -0.10 0.00 0.01 0.00 0.00 42.46 39.36 1nqa s ILE 204 CO 0.10 -0.47 1.39 -2.84 0.00 0.00 0.00 174.94 173.12 1nqa s PRO 205 N 1.08 4.29 0.29 2.79 0.02 -1.26 -1.42 135.00 140.78 1nqa s PRO 205 Ca 0.05 2.29 -0.11 0.00 0.02 0.00 0.00 61.00 63.24 1nqa s PRO 205 Cb -0.21 -3.09 0.00 0.00 0.02 0.00 0.00 34.50 31.23 1nqa s PRO 205 CO -0.05 -0.34 0.52 -0.08 -0.33 0.00 0.00 177.00 176.72 1nqa s THR 206 N -0.51 0.00 0.78 0.99 -1.32 -0.08 -4.82 115.64 110.68 1nqa s THR 206 Ca 0.55 -1.40 -0.10 0.00 -1.21 0.00 0.00 61.69 59.54 1nqa s THR 206 Cb -0.41 -2.37 0.10 0.00 -1.51 0.00 0.00 72.50 68.30 1nqa s THR 206 CO 0.48 0.00 1.12 0.42 -2.21 0.00 0.00 174.62 174.43 1nqa s THR 207 N -3.61 2.13 -0.29 5.08 -4.23 -1.26 -1.14 115.64 112.31 1nqa s THR 207 Ca 0.23 -0.16 -0.19 0.00 -1.18 0.00 0.00 61.69 60.40 1nqa s THR 207 Cb -0.01 -2.97 0.18 0.00 1.34 0.00 0.00 72.50 71.03 1nqa s THR 207 CO 0.12 0.00 1.18 0.28 -0.54 0.00 0.00 174.62 175.65 1nqa s THR 208 N -3.46 0.00 -1.55 3.99 -1.32 -1.26 -4.50 115.64 107.54 1nqa s THR 208 Ca 0.64 0.00 0.21 0.00 -1.21 0.00 0.00 61.69 61.32 1nqa s THR 208 Cb -0.09 -1.00 0.70 0.00 -1.51 0.00 0.00 72.50 70.60 1nqa s THR 208 CO 0.47 0.00 1.60 0.61 -2.21 0.00 0.00 174.62 175.09 1nqa n GLY 209 N 2.92 2.63 0.17 6.08 0.00 -1.26 -4.58 105.19 111.16 1nqa n GLY 209 Ca -0.16 -0.84 -0.04 0.00 0.00 0.00 0.00 46.02 44.98 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 4.26 0.36 -0.35 4.61 0.00 -1.95 0.42 119.26 126.61 1nqa h ALA 210 Ca 0.00 0.12 -0.00 0.00 0.00 0.00 0.00 54.91 55.03 1nqa h ALA 210 Cb 1.25 0.20 -0.02 0.00 0.00 0.00 0.00 17.79 19.22 1nqa h ALA 210 CO 0.13 -0.40 0.22 0.00 0.00 0.00 0.00 179.25 179.20 1nqa h ALA 211 N 1.35 0.45 -0.23 0.00 0.00 -1.89 -2.54 119.26 116.40 1nqa h ALA 211 Ca 0.20 -0.04 -0.12 0.00 0.00 0.00 0.00 54.91 54.94 1nqa h ALA 211 Cb 0.28 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 17.92 1nqa h ALA 211 CO -0.33 -0.06 -0.39 0.87 0.00 0.00 0.00 179.25 179.34 1nqa h LYS 212 N 0.47 0.51 0.00 0.00 1.57 -1.61 -2.97 116.57 114.54 1nqa h LYS 212 Ca 0.13 -0.25 -0.00 0.00 -1.87 0.00 0.00 60.65 58.65 1nqa h LYS 212 Cb -0.01 -0.00 -0.00 0.00 0.08 0.00 0.00 32.23 32.30 1nqa h LYS 212 CO -0.03 0.82 -0.01 0.00 -0.57 0.00 0.00 179.45 179.66 1nqa h ALA 213 N 1.16 1.07 -0.43 3.86 0.00 0.22 -2.49 119.26 122.64 1nqa h ALA 213 Ca 0.04 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 54.99 1nqa h ALA 213 Cb 0.86 -0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1nqa h ALA 213 CO 0.07 0.01 0.29 0.28 0.00 0.00 0.00 179.25 179.91 1nqa h VAL 214 N 0.00 0.98 0.00 0.00 2.07 -1.30 -0.31 116.25 117.69 1nqa h VAL 214 Ca -0.00 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 67.39 1nqa h VAL 214 Cb 0.15 0.57 0.00 0.00 -1.52 0.00 0.00 31.29 30.49 1nqa h VAL 214 CO 0.00 0.07 0.00 0.00 0.02 0.00 0.00 177.57 177.66 1nqa h ALA 215 N 1.76 1.00 -0.00 1.67 0.00 -1.60 0.25 119.26 122.34 1nqa h ALA 215 Ca 0.19 0.00 -0.12 0.00 0.00 0.00 0.00 54.91 54.97 1nqa h ALA 215 Cb 0.27 0.00 -0.02 0.00 0.00 0.00 0.00 17.79 18.05 1nqa h ALA 215 CO -0.04 0.00 -0.58 -0.07 0.00 0.00 0.00 179.25 178.56 1nqa h LEU 216 N 0.00 0.02 0.00 0.00 4.07 -1.24 -2.40 115.31 115.76 1nqa h LEU 216 Ca 0.00 -0.01 0.00 0.00 0.08 0.00 0.00 57.88 57.95 1nqa h LEU 216 Cb 0.11 -0.00 0.00 0.00 1.08 0.00 0.00 40.66 41.85 1nqa h LEU 216 CO 0.00 0.59 -0.76 1.33 -1.08 0.00 0.00 178.44 178.52 1nqa n VAL 217 N -3.86 0.00 -3.26 1.22 0.24 -0.48 -4.71 118.33 107.49 1nqa n VAL 217 Ca -0.01 -0.25 -0.25 0.00 -2.04 0.00 0.00 64.34 61.79 1nqa n VAL 217 Cb 0.58 0.80 -0.08 0.00 -1.47 0.00 0.00 33.84 33.67 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 -1.42 -0.01 -0.12 1.34 4.77 0.77 -4.67 117.00 117.67 1nqa n LEU 218 Ca 0.01 -4.59 0.27 0.00 -0.03 0.00 0.00 56.01 51.67 1nqa n LEU 218 Cb 0.20 0.59 0.70 0.00 -2.33 0.00 0.00 43.42 42.58 1nqa n LEU 218 CO 0.22 2.00 1.25 1.55 -1.33 0.00 0.00 177.39 181.08 1nqa h PRO 219 N 4.56 0.00 0.00 3.23 0.13 -1.65 -0.16 132.00 138.11 1nqa h PRO 219 Ca 0.14 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.27 1nqa h PRO 219 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1nqa h PRO 219 CO 0.43 0.00 0.00 0.93 -0.23 0.00 0.00 178.00 179.13 1nqa h GLU 220 N 0.00 0.00 -0.52 0.86 5.08 -1.95 -2.10 114.58 115.96 1nqa h GLU 220 Ca 0.39 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.75 1nqa h GLU 220 Cb 1.83 0.00 0.00 0.00 0.50 0.00 0.00 28.75 31.08 1nqa h GLU 220 CO -0.00 0.00 0.00 1.28 -1.00 0.00 0.00 179.01 179.29 1nqa n LEU 221 N -2.52 3.00 -4.67 1.33 4.77 -0.07 -4.94 117.00 113.90 1nqa n LEU 221 Ca 0.01 -1.46 -0.46 0.00 -0.03 0.00 0.00 56.01 54.07 1nqa n LEU 221 Cb 0.22 -0.34 -0.04 0.00 -2.33 0.00 0.00 43.42 40.92 1nqa n LEU 221 CO 0.20 0.73 1.23 1.17 -1.33 0.00 0.00 177.39 179.39 1nqa n LYS 222 N 1.15 2.13 -0.92 3.23 0.00 -0.79 -1.42 118.16 121.55 1nqa n LYS 222 Ca 0.19 0.77 0.00 0.00 0.00 0.00 0.00 58.31 59.27 1nqa n LYS 222 Cb 0.49 -2.55 0.00 0.00 0.00 0.00 0.00 35.03 32.97 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 3.53 0.36 0.00 3.14 0.00 -1.26 -4.86 105.19 106.10 1nqa n GLY 223 Ca 0.18 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.29 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 -1.44 0.59 -4.59 1.61 5.02 -0.50 -4.99 118.16 113.85 1nqa n LYS 224 Ca 0.00 -0.10 -0.27 0.00 -2.02 0.00 0.00 58.31 55.92 1nqa n LYS 224 Cb 0.15 -1.45 -0.14 0.00 -0.02 0.00 0.00 35.03 33.57 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 -3.71 2.22 0.10 -0.35 1.43 -1.26 -1.27 118.68 115.83 1nqa s LEU 225 Ca -0.01 -0.61 -0.05 0.00 -1.03 0.00 0.00 54.13 52.44 1nqa s LEU 225 Cb 0.14 -1.06 -0.02 0.00 0.03 0.00 0.00 46.19 45.28 1nqa s LEU 225 CO 0.82 0.16 0.12 0.21 0.23 0.00 0.00 176.35 177.90 1nqa s ASN 226 N -1.48 0.24 0.02 2.29 3.84 -1.01 -4.08 114.94 114.76 1nqa s ASN 226 Ca 0.09 -0.88 -0.28 0.00 0.21 0.00 0.00 52.86 52.01 1nqa s ASN 226 Cb -0.09 0.31 0.10 0.00 -0.55 0.00 0.00 41.25 41.01 1nqa s ASN 226 CO 0.03 -0.72 1.24 -0.83 -2.79 0.00 0.00 177.10 174.03 1nqa s GLY 227 N -2.93 -0.17 0.34 1.21 0.00 -1.26 -0.97 107.32 103.54 1nqa s GLY 227 Ca 0.11 0.16 -0.00 0.00 0.00 0.00 0.00 44.72 44.99 1nqa s GLY 227 CO -0.07 3.44 0.43 -3.16 0.00 0.00 0.00 173.10 173.73 1nqa s MET 228 N -2.19 1.87 0.14 2.90 0.23 -0.58 -4.54 119.30 117.13 1nqa s MET 228 Ca 0.23 -1.82 0.05 0.00 -1.03 0.00 0.00 55.69 53.12 1nqa s MET 228 Cb 0.01 0.41 -0.04 0.00 -1.53 0.00 0.00 34.83 33.68 1nqa s MET 228 CO -0.01 -0.76 -0.11 0.00 -2.03 0.00 0.00 175.02 172.12 1nqa s ALA 229 N -3.15 1.48 -0.25 3.16 0.00 -0.29 -1.41 121.76 121.30 1nqa s ALA 229 Ca 0.33 -1.46 -0.04 0.00 0.00 0.00 0.00 51.96 50.80 1nqa s ALA 229 Cb 0.00 0.02 0.08 0.00 0.00 0.00 0.00 23.12 23.22 1nqa s ALA 229 CO 0.22 -0.05 0.10 -1.64 0.00 0.00 0.00 175.76 174.39 1nqa s MET 230 N -3.51 0.32 0.03 0.00 -1.94 -0.17 -0.90 119.30 113.13 1nqa s MET 230 Ca 0.15 -0.49 -0.30 0.00 -1.71 0.00 0.00 55.69 53.35 1nqa s MET 230 Cb 0.01 -1.62 -0.04 0.00 2.01 0.00 0.00 34.83 35.19 1nqa s MET 230 CO 0.01 -0.86 0.96 1.03 -0.01 0.00 0.00 175.02 176.15 1nqa s ARG 231 N 1.99 4.60 0.29 2.03 1.81 -0.50 -0.89 118.95 128.27 1nqa s ARG 231 Ca 0.06 1.40 0.07 0.00 -1.72 0.00 0.00 55.73 55.54 1nqa s ARG 231 Cb -0.16 -3.43 -0.06 0.00 -0.45 0.00 0.00 34.95 30.84 1nqa s ARG 231 CO -0.23 0.04 -0.05 0.14 -0.68 0.00 0.00 175.30 174.51 1nqa s VAL 232 N 0.69 1.65 0.00 3.52 -7.23 0.15 -0.43 120.40 118.75 1nqa s VAL 232 Ca 0.50 -2.12 -0.01 0.00 -1.81 0.00 0.00 61.98 58.54 1nqa s VAL 232 Cb -0.22 -2.49 -0.03 0.00 0.56 0.00 0.00 36.38 34.21 1nqa s VAL 232 CO 0.28 -0.27 0.78 -2.65 -0.31 0.00 0.00 175.10 172.92 1nqa n PRO 233 N -0.60 0.29 -4.74 4.82 -0.02 -1.26 -2.97 135.00 130.51 1nqa n PRO 233 Ca -0.05 -0.11 -0.29 0.00 -2.02 0.00 0.00 63.50 61.03 1nqa n PRO 233 Cb 0.64 -1.52 -0.14 0.00 -0.02 0.00 0.00 33.50 32.46 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 2.23 2.11 -0.29 3.45 -4.23 -1.26 -5.00 115.64 112.65 1nqa s THR 234 Ca 0.07 -1.46 0.25 0.00 -1.18 0.00 0.00 61.69 59.37 1nqa s THR 234 Cb 0.03 -1.82 0.35 0.00 1.34 0.00 0.00 72.50 72.40 1nqa s THR 234 CO 0.00 0.27 1.70 1.55 -0.54 0.00 0.00 174.62 177.60 1nqa h PRO 235 N 4.57 0.00 -1.79 3.99 0.13 -1.87 -1.75 132.00 135.27 1nqa h PRO 235 Ca -0.47 0.00 0.12 0.00 -0.87 0.00 0.00 66.00 64.78 1nqa h PRO 235 Cb 1.15 0.00 -0.20 0.00 0.13 0.00 0.00 31.00 32.08 1nqa h PRO 235 CO 0.42 0.01 0.58 1.21 -0.23 0.00 0.00 178.00 179.99 1nqa s ASN 236 N -6.09 -0.33 0.00 1.44 2.47 -1.26 -4.72 114.94 106.45 1nqa s ASN 236 Ca 0.05 0.19 0.00 0.00 0.42 0.00 0.00 52.86 53.52 1nqa s ASN 236 Cb 0.06 0.30 0.00 0.00 -1.45 0.00 0.00 41.25 40.16 1nqa s ASN 236 CO 0.64 -0.42 0.00 0.52 -3.72 0.00 0.00 177.10 174.12 1nqa n VAL 237 N 0.26 -0.55 -4.38 -5.21 0.31 -1.26 -4.88 118.33 102.62 1nqa n VAL 237 Ca -0.08 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.04 1nqa n VAL 237 Cb 0.59 -0.48 -0.08 0.00 -0.91 0.00 0.00 33.84 32.95 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 -0.61 2.00 -0.11 4.52 0.01 0.34 -3.69 113.70 116.16 1nqa s SER 238 Ca 0.00 -1.67 -0.08 0.00 1.31 0.00 0.00 55.95 55.51 1nqa s SER 238 Cb 0.00 0.49 0.04 0.00 0.21 0.00 0.00 66.02 66.76 1nqa s SER 238 CO 0.00 -0.97 0.28 0.54 0.41 0.00 0.00 173.24 173.51 1nqa s VAL 239 N -3.42 -0.02 -0.06 3.43 0.11 -0.54 -0.99 120.40 118.91 1nqa s VAL 239 Ca 0.33 0.07 -0.13 0.00 -2.93 0.00 0.00 61.98 59.32 1nqa s VAL 239 Cb 0.03 -0.42 -0.05 0.00 -1.53 0.00 0.00 36.38 34.42 1nqa s VAL 239 CO 0.20 0.03 0.32 -0.69 -3.33 0.00 0.00 175.10 171.63 1nqa s VAL 240 N 0.73 5.21 -0.30 2.04 1.01 0.79 -1.51 120.40 128.36 1nqa s VAL 240 Ca -0.05 0.63 0.01 0.00 0.00 0.00 0.00 61.98 62.58 1nqa s VAL 240 Cb -0.06 -3.62 0.09 0.00 0.00 0.00 0.00 36.38 32.79 1nqa s VAL 240 CO -0.05 0.54 0.04 -0.62 0.00 0.00 0.00 175.10 175.02 1nqa s ASP 241 N -0.71 4.25 -0.15 3.32 2.15 -0.30 -1.04 116.67 124.18 1nqa s ASP 241 Ca 0.20 -1.70 -0.04 0.00 0.43 0.00 0.00 52.55 51.44 1nqa s ASP 241 Cb -0.15 -1.23 -0.03 0.00 -0.30 0.00 0.00 42.92 41.21 1nqa s ASP 241 CO 0.09 -0.35 -0.01 -0.22 -0.17 0.00 0.00 175.17 174.51 1nqa s LEU 242 N 1.29 3.40 -0.19 -1.34 2.96 0.04 -1.63 118.68 123.20 1nqa s LEU 242 Ca 0.06 -0.06 0.00 0.00 -0.22 0.00 0.00 54.13 53.92 1nqa s LEU 242 Cb -0.18 -1.82 0.02 0.00 0.50 0.00 0.00 46.19 44.70 1nqa s LEU 242 CO -0.13 0.19 -0.16 -0.69 -1.32 0.00 0.00 176.35 174.23 1nqa s VAL 243 N 0.22 2.30 0.06 1.68 1.01 -0.65 -0.55 120.40 124.47 1nqa s VAL 243 Ca -0.01 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.08 1nqa s VAL 243 Cb -0.13 -2.01 -0.03 0.00 0.00 0.00 0.00 36.38 34.20 1nqa s VAL 243 CO 0.02 0.47 -0.09 0.00 0.00 0.00 0.00 175.10 175.51 1nqa s ALA 244 N 1.31 0.78 -0.24 5.51 0.00 0.09 -1.22 121.76 127.99 1nqa s ALA 244 Ca 0.04 -0.93 -0.14 0.00 0.00 0.00 0.00 51.96 50.94 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 -0.11 -0.02 0.30 -1.21 0.00 0.00 0.00 175.76 174.72 1nqa s GLU 245 N -2.05 4.08 0.18 0.00 0.41 0.59 -1.03 118.70 120.87 1nqa s GLU 245 Ca -0.04 -0.03 0.03 0.00 -0.41 0.00 0.00 54.97 54.52 1nqa s GLU 245 Cb -0.07 -3.58 -0.03 0.00 -1.78 0.00 0.00 34.13 28.66 1nqa s GLU 245 CO -0.00 -0.09 0.32 -0.51 -0.49 0.00 0.00 175.26 174.49 1nqa s LEU 246 N 1.49 4.32 -0.08 1.80 1.02 0.89 -0.50 118.68 127.62 1nqa s LEU 246 Ca 0.13 0.18 -0.26 0.00 0.02 0.00 0.00 54.13 54.20 1nqa s LEU 246 Cb -0.15 -2.93 -0.25 0.00 0.02 0.00 0.00 46.19 42.88 1nqa s LEU 246 CO 0.08 0.01 0.94 -0.33 0.02 0.00 0.00 176.35 177.07 1nqa h GLU 247 N 1.88 0.12 -6.73 1.70 5.08 -0.41 -3.45 114.58 112.78 1nqa h GLU 247 Ca -0.49 -0.15 -0.50 0.00 -1.00 0.00 0.00 59.36 57.22 1nqa h GLU 247 Cb 1.20 0.05 -0.02 0.00 0.50 0.00 0.00 28.75 30.48 1nqa h GLU 247 CO 0.67 0.96 0.09 0.21 -1.00 0.00 0.00 179.01 179.93 1nqa s LYS 248 N -2.82 3.95 0.22 2.33 2.20 -0.70 -5.05 119.74 119.87 1nqa s LYS 248 Ca -0.17 0.60 -0.30 0.00 -0.36 0.00 0.00 55.97 55.75 1nqa s LYS 248 Cb -0.00 -2.44 -0.08 0.00 -1.51 0.00 0.00 37.83 33.80 1nqa s LYS 248 CO 0.73 0.13 1.02 -2.00 -0.36 0.00 0.00 175.35 174.87 1nqa s GLU 249 N -3.13 4.72 0.25 4.03 2.12 -1.26 -4.77 118.70 120.66 1nqa s GLU 249 Ca 0.53 1.62 -0.02 0.00 0.36 0.00 0.00 54.97 57.46 1nqa s GLU 249 Cb -0.10 -3.27 -0.03 0.00 0.26 0.00 0.00 34.13 30.99 1nqa s GLU 249 CO 0.20 0.29 0.26 0.14 -0.54 0.00 0.00 175.26 175.62 1nqa s VAL 250 N -0.78 0.00 0.29 3.70 -7.23 -0.01 -5.04 120.40 111.33 1nqa s VAL 250 Ca 0.45 -1.84 0.08 0.00 -1.81 0.00 0.00 61.98 58.86 1nqa s VAL 250 Cb -0.28 -2.46 -0.06 0.00 0.56 0.00 0.00 36.38 34.14 1nqa s VAL 250 CO 0.35 0.00 -0.09 0.42 -0.31 0.00 0.00 175.10 175.46 1nqa s THR 251 N -3.87 1.90 0.24 5.32 -4.23 -1.26 -4.27 115.64 109.46 1nqa s THR 251 Ca 0.35 -2.19 -0.06 0.00 -1.18 0.00 0.00 61.69 58.62 1nqa s THR 251 Cb 0.04 -2.44 0.22 0.00 1.34 0.00 0.00 72.50 71.66 1nqa s THR 251 CO 0.15 -0.32 1.88 0.58 -0.54 0.00 0.00 174.62 176.37 1nqa h VAL 252 N 2.24 1.13 -0.47 2.29 2.07 -1.93 -2.34 116.25 119.23 1nqa h VAL 252 Ca -0.40 -0.38 -0.05 0.00 0.82 0.00 0.00 66.70 66.69 1nqa h VAL 252 Cb 1.24 -0.08 -0.02 0.00 -1.52 0.00 0.00 31.29 30.91 1nqa h VAL 252 CO 0.67 0.20 0.09 -0.33 0.02 0.00 0.00 177.57 178.22 1nqa h GLU 253 N 1.11 0.73 -0.35 1.57 3.07 -1.97 -1.30 114.58 117.44 1nqa h GLU 253 Ca 0.37 -0.15 -0.15 0.00 -0.50 0.00 0.00 59.36 58.93 1nqa h GLU 253 Cb 0.04 -0.11 -0.01 0.00 -0.84 0.00 0.00 28.75 27.84 1nqa h GLU 253 CO -0.13 0.68 -0.36 0.93 -1.40 0.00 0.00 179.01 178.72 1nqa h GLU 254 N 0.70 0.86 -0.20 2.33 5.08 -1.85 -0.71 114.58 120.79 1nqa h GLU 254 Ca 0.15 -0.46 -0.02 0.00 -1.00 0.00 0.00 59.36 58.04 1nqa h GLU 254 Cb 0.30 0.02 -0.01 0.00 0.50 0.00 0.00 28.75 29.56 1nqa h GLU 254 CO 0.00 1.10 0.05 0.28 -1.00 0.00 0.00 179.01 179.45 1nqa h VAL 255 N 0.66 1.20 -0.65 3.13 2.07 -1.20 -1.80 116.25 119.66 1nqa h VAL 255 Ca 0.05 -0.63 -0.05 0.00 0.82 0.00 0.00 66.70 66.89 1nqa h VAL 255 Cb 0.95 1.24 -0.03 0.00 -1.52 0.00 0.00 31.29 31.93 1nqa h VAL 255 CO 0.09 0.20 0.21 0.78 0.02 0.00 0.00 177.57 178.86 1nqa h ASN 256 N 0.14 0.92 -0.55 0.57 -0.26 -1.22 -2.32 115.58 112.86 1nqa h ASN 256 Ca 0.06 -0.16 -0.05 0.00 -0.56 0.00 0.00 56.30 55.60 1nqa h ASN 256 Cb 0.26 -0.24 -0.02 0.00 -1.06 0.00 0.00 38.32 37.25 1nqa h ASN 256 CO -0.00 0.86 0.15 0.00 -1.06 0.00 0.00 177.43 177.38 1nqa h ALA 257 N 1.26 0.72 -0.70 -0.83 0.00 -0.96 -0.59 119.26 118.17 1nqa h ALA 257 Ca 0.21 -0.21 -0.01 0.00 0.00 0.00 0.00 54.91 54.90 1nqa h ALA 257 Cb 0.27 -0.21 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1nqa h ALA 257 CO -0.01 0.40 0.39 0.00 0.00 0.00 0.00 179.25 180.03 1nqa h ALA 258 N 1.02 0.89 -0.36 0.00 0.00 -1.10 0.13 119.26 119.84 1nqa h ALA 258 Ca 0.17 -0.11 -0.08 0.00 0.00 0.00 0.00 54.91 54.90 1nqa h ALA 258 Cb 0.32 -0.28 -0.01 0.00 0.00 0.00 0.00 17.79 17.82 1nqa h ALA 258 CO -0.00 0.40 -0.08 -0.07 0.00 0.00 0.00 179.25 179.50 1nqa h LEU 259 N 0.95 0.70 -0.90 0.00 3.38 -1.21 -2.25 115.31 115.99 1nqa h LEU 259 Ca 0.25 -0.36 -0.09 0.00 0.09 0.00 0.00 57.88 57.77 1nqa h LEU 259 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nqa h LEU 259 CO -0.04 0.90 -0.16 0.50 0.09 0.00 0.00 178.44 179.73 1nqa h LYS 260 N 0.49 0.63 -0.52 1.13 3.64 -0.92 -1.15 116.57 119.88 1nqa h LYS 260 Ca 0.09 -0.21 -0.02 0.00 -1.27 0.00 0.00 60.65 59.24 1nqa h LYS 260 Cb 0.59 -0.05 -0.02 0.00 -0.41 0.00 0.00 32.23 32.33 1nqa h LYS 260 CO 0.03 0.76 0.23 0.00 -2.27 0.00 0.00 179.45 178.21 1nqa h ALA 261 N 1.26 0.67 -0.48 5.00 0.00 -0.81 -1.64 119.26 123.26 1nqa h ALA 261 Ca 0.09 -0.14 -0.09 0.00 0.00 0.00 0.00 54.91 54.77 1nqa h ALA 261 Cb 0.60 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 1nqa h ALA 261 CO 0.04 0.25 -0.06 0.00 0.00 0.00 0.00 179.25 179.48 1nqa h ALA 262 N 1.07 0.65 -0.74 0.00 0.00 -1.19 -0.69 119.26 118.37 1nqa h ALA 262 Ca 0.18 -0.31 0.03 0.00 0.00 0.00 0.00 54.91 54.80 1nqa h ALA 262 Cb 0.16 -0.17 -0.04 0.00 0.00 0.00 0.00 17.79 17.73 1nqa h ALA 262 CO -0.02 0.51 0.49 0.00 0.00 0.00 0.00 179.25 180.23 1nqa h ALA 263 N 0.90 1.55 -0.01 0.00 0.00 -0.93 -0.97 119.26 119.81 1nqa h ALA 263 Ca 0.13 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1nqa h ALA 263 Cb 0.59 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nqa h ALA 263 CO 0.04 0.38 -0.48 0.39 0.00 0.00 0.00 179.25 179.58 1nqa n GLU 264 N -4.45 0.52 0.00 0.00 1.02 -0.64 -3.26 120.64 113.83 1nqa n GLU 264 Ca 0.09 -0.36 0.00 0.00 -0.02 0.00 0.00 57.16 56.87 1nqa n GLU 264 Cb 0.11 -1.49 0.00 0.00 -0.02 0.00 0.00 31.44 30.03 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 1.43 1.39 0.34 0.62 0.00 -0.28 -4.78 105.19 103.91 1nqa n GLY 265 Ca 0.08 0.00 0.22 0.00 0.00 0.00 0.00 46.02 46.32 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 0.41 -0.64 1.61 4.11 -1.78 -1.14 114.58 117.15 1nqa h GLU 266 Ca 0.00 -0.02 0.00 0.00 0.07 0.00 0.00 59.36 59.41 1nqa h GLU 266 Cb 0.00 -0.09 0.00 0.00 0.50 0.00 0.00 28.75 29.16 1nqa h GLU 266 CO 0.00 0.27 0.00 1.28 0.07 0.00 0.00 179.01 180.63 1nqa n LEU 267 N -4.97 5.05 -4.66 3.06 4.77 -0.45 -5.00 117.00 114.80 1nqa n LEU 267 Ca 0.30 -2.55 -0.45 0.00 -0.03 0.00 0.00 56.01 53.27 1nqa n LEU 267 Cb 0.90 -0.62 -0.03 0.00 -2.33 0.00 0.00 43.42 41.34 1nqa n LEU 267 CO 0.13 0.75 0.99 1.17 -1.33 0.00 0.00 177.39 179.09 1nqa n LYS 268 N 0.98 1.94 0.00 3.23 4.81 -0.43 -0.32 118.16 128.36 1nqa n LYS 268 Ca 0.26 0.69 0.00 0.00 -0.87 0.00 0.00 58.31 58.39 1nqa n LYS 268 Cb 0.98 -2.33 0.00 0.00 0.02 0.00 0.00 35.03 33.70 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 2.18 3.19 0.32 3.14 0.00 -1.26 -4.73 105.19 108.03 1nqa n GLY 269 Ca 0.12 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.95 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 -1.84 1.26 -4.56 -0.61 2.08 0.57 -4.42 119.36 111.84 1nqa n ILE 270 Ca 0.00 -0.17 -0.34 0.00 0.56 0.00 0.00 62.75 62.80 1nqa n ILE 270 Cb 0.00 -1.90 -0.12 0.00 -0.75 0.00 0.00 39.64 36.87 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 -7.32 3.10 0.41 1.39 2.96 0.37 -0.60 118.68 118.99 1nqa s LEU 271 Ca -0.28 -0.14 0.07 0.00 -0.22 0.00 0.00 54.13 53.55 1nqa s LEU 271 Cb 0.09 -1.71 -0.07 0.00 0.50 0.00 0.00 46.19 45.00 1nqa s LEU 271 CO 0.37 0.23 0.05 0.00 -1.32 0.00 0.00 176.35 175.68 1nqa s ALA 272 N 0.00 3.28 -0.03 5.97 0.00 0.18 -4.40 121.76 126.76 1nqa s ALA 272 Ca -0.01 -2.23 -0.01 0.00 0.00 0.00 0.00 51.96 49.71 1nqa s ALA 272 Cb -0.14 -0.01 0.03 0.00 0.00 0.00 0.00 23.12 23.00 1nqa s ALA 272 CO 0.03 -0.12 0.03 -0.47 0.00 0.00 0.00 175.76 175.24 1nqa s TYR 273 N -2.67 0.09 -0.04 0.00 5.04 -1.26 -1.36 117.35 117.14 1nqa s TYR 273 Ca 0.37 0.15 0.03 0.00 -2.44 0.00 0.00 57.07 55.17 1nqa s TYR 273 Cb 0.08 -0.34 0.00 0.00 0.35 0.00 0.00 41.96 42.05 1nqa s TYR 273 CO 0.19 -0.13 -0.12 0.45 -1.34 0.00 0.00 175.55 174.60 1nqa s SER 274 N 1.41 1.64 -0.08 4.32 0.15 -0.40 -4.93 113.70 115.82 1nqa s SER 274 Ca -0.05 -0.27 0.15 0.00 0.70 0.00 0.00 55.95 56.49 1nqa s SER 274 Cb -0.13 -0.52 0.49 0.00 -1.71 0.00 0.00 66.02 64.15 1nqa s SER 274 CO -0.03 0.09 1.41 -0.62 1.20 0.00 0.00 173.24 175.29 1nqa n GLU 275 N 3.36 3.11 -3.85 5.44 1.02 -1.26 -1.07 120.64 127.39 1nqa n GLU 275 Ca -0.19 -2.51 -0.30 0.00 -0.02 0.00 0.00 57.16 54.13 1nqa n GLU 275 Cb 0.53 -1.60 -0.04 0.00 -0.02 0.00 0.00 31.44 30.31 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 -1.74 3.49 -1.30 3.49 2.02 -1.26 -4.78 118.70 118.62 1nqa s GLU 276 Ca 0.37 -0.37 -0.15 0.00 0.02 0.00 0.00 54.97 54.84 1nqa s GLU 276 Cb 0.24 -2.98 0.11 0.00 0.10 0.00 0.00 34.13 31.61 1nqa s GLU 276 CO 0.17 0.55 1.75 -0.35 0.02 0.00 0.00 175.26 177.40 1nqa n PRO 277 N 0.09 3.26 -3.01 0.39 -0.04 -1.26 -4.86 135.00 129.57 1nqa n PRO 277 Ca -0.05 -3.39 -0.18 0.00 -0.04 0.00 0.00 63.50 59.85 1nqa n PRO 277 Cb 0.52 -3.23 0.03 0.00 -0.04 0.00 0.00 33.50 30.77 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 2.40 3.48 0.37 1.53 1.43 -1.26 -5.14 118.68 121.49 1nqa s LEU 278 Ca 0.47 -0.54 0.05 0.00 -1.03 0.00 0.00 54.13 53.08 1nqa s LEU 278 Cb 0.04 -2.35 -0.07 0.00 0.03 0.00 0.00 46.19 43.84 1nqa s LEU 278 CO 0.02 -0.95 0.04 0.68 0.23 0.00 0.00 176.35 176.36 1nqa s VAL 279 N -2.46 1.53 0.25 -1.59 -7.23 -1.26 -5.06 120.40 104.58 1nqa s VAL 279 Ca 0.57 -2.00 -0.03 0.00 -1.81 0.00 0.00 61.98 58.71 1nqa s VAL 279 Cb -0.09 -2.86 0.23 0.00 0.56 0.00 0.00 36.38 34.21 1nqa s VAL 279 CO 0.35 0.00 1.76 0.77 -0.31 0.00 0.00 175.10 177.67 1nqa h SER 280 N 1.95 0.45 -0.80 4.85 4.64 -1.97 -1.69 113.55 120.98 1nqa h SER 280 Ca -0.42 0.09 0.13 0.00 -0.47 0.00 0.00 61.79 61.12 1nqa h SER 280 Cb 1.24 0.02 -0.06 0.00 -0.31 0.00 0.00 62.40 63.30 1nqa h SER 280 CO 0.74 0.20 0.53 0.03 -0.87 0.00 0.00 176.83 177.46 1nqa h ARG 281 N 0.57 0.58 0.00 4.77 2.47 -1.97 -0.67 114.38 120.13 1nqa h ARG 281 Ca 0.43 -0.04 0.00 0.00 -1.26 0.00 0.00 59.98 59.12 1nqa h ARG 281 Cb 0.60 -0.13 0.00 0.00 -1.65 0.00 0.00 29.97 28.79 1nqa h ARG 281 CO -0.36 0.39 0.00 -0.44 0.56 0.00 0.00 179.97 180.12 1nqa h ASP 282 N 0.60 0.00 -0.02 7.04 3.32 -1.72 -1.89 116.42 123.75 1nqa h ASP 282 Ca 0.39 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.44 1nqa h ASP 282 Cb 0.67 0.00 0.00 0.00 0.22 0.00 0.00 39.33 40.22 1nqa h ASP 282 CO -0.15 0.00 -0.07 -1.22 -1.72 0.00 0.00 179.24 176.08 1nqa n TYR 283 N -2.85 0.00 -2.01 4.55 4.01 -0.26 -4.88 117.16 115.73 1nqa n TYR 283 Ca -0.02 0.00 -0.42 0.00 -0.16 0.00 0.00 57.90 57.30 1nqa n TYR 283 Cb 0.10 -0.00 -0.03 0.00 -0.31 0.00 0.00 39.34 39.10 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 -2.07 6.67 0.00 7.72 2.47 -0.71 -1.27 114.94 127.75 1nqa s ASN 284 Ca 0.28 2.30 0.00 0.00 0.42 0.00 0.00 52.86 55.86 1nqa s ASN 284 Cb 0.20 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.45 1nqa s ASN 284 CO 0.34 -0.89 0.00 0.61 -3.72 0.00 0.00 177.10 173.45 1nqa n GLY 285 N 4.03 0.14 3.74 1.21 0.00 -1.26 -5.05 105.19 107.99 1nqa n GLY 285 Ca 0.16 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 -2.25 6.58 0.00 1.61 0.15 -0.39 -4.94 113.70 114.46 1nqa s SER 286 Ca 0.00 2.70 0.22 0.00 0.70 0.00 0.00 55.95 59.57 1nqa s SER 286 Cb 0.00 -2.61 0.02 0.00 -1.71 0.00 0.00 66.02 61.71 1nqa s SER 286 CO 0.00 -0.78 1.07 0.35 1.20 0.00 0.00 173.24 175.08 1nqa n THR 287 N 2.91 0.00 -1.53 6.45 -2.24 -1.26 -3.08 114.28 115.53 1nqa n THR 287 Ca 0.10 -0.01 -0.29 0.00 -2.27 0.00 0.00 64.05 61.58 1nqa n THR 287 Cb 0.39 0.76 0.12 0.00 -2.10 0.00 0.00 70.33 69.51 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 -2.98 2.30 -0.19 2.28 -7.23 -1.26 -4.44 120.40 108.88 1nqa s VAL 288 Ca 0.09 0.10 0.20 0.00 -1.81 0.00 0.00 61.98 60.56 1nqa s VAL 288 Cb 0.17 -2.84 -0.04 0.00 0.56 0.00 0.00 36.38 34.23 1nqa s VAL 288 CO 0.81 -0.13 0.99 0.28 -0.31 0.00 0.00 175.10 176.73 1nqa h SER 289 N -1.40 0.00 -3.01 4.85 0.02 -1.06 -3.39 113.55 109.55 1nqa h SER 289 Ca -0.50 0.00 0.02 0.00 -0.84 0.00 0.00 61.79 60.47 1nqa h SER 289 Cb 1.31 0.00 -0.21 0.00 0.14 0.00 0.00 62.40 63.64 1nqa h SER 289 CO 0.61 0.25 0.03 -0.55 -1.14 0.00 0.00 176.83 176.03 1nqa s SER 290 N -5.59 -0.93 -0.23 3.07 0.15 -0.92 -3.76 113.70 105.48 1nqa s SER 290 Ca -0.01 1.50 0.01 0.00 0.70 0.00 0.00 55.95 58.15 1nqa s SER 290 Cb 0.09 1.39 0.06 0.00 -1.71 0.00 0.00 66.02 65.84 1nqa s SER 290 CO 0.79 -0.24 -0.06 -0.89 1.20 0.00 0.00 173.24 174.05 1nqa s THR 291 N 1.60 1.51 0.14 6.45 2.01 -0.24 0.52 115.64 127.63 1nqa s THR 291 Ca -0.10 -1.17 -0.31 0.00 0.31 0.00 0.00 61.69 60.42 1nqa s THR 291 Cb -0.05 -1.76 -0.10 0.00 0.01 0.00 0.00 72.50 70.60 1nqa s THR 291 CO -0.19 -0.07 1.63 -0.63 -0.69 0.00 0.00 174.62 174.67 1nqa s ILE 292 N 1.41 2.66 -1.04 1.82 -1.09 -0.47 -0.36 121.20 124.12 1nqa s ILE 292 Ca -0.05 0.37 -0.15 0.00 -2.23 0.00 0.00 60.65 58.59 1nqa s ILE 292 Cb -0.18 -3.24 0.17 0.00 -1.58 0.00 0.00 42.46 37.63 1nqa s ILE 292 CO -0.06 0.02 1.20 -0.62 -1.23 0.00 0.00 174.94 174.25 1nqa s ASP 293 N 1.63 6.89 0.47 3.58 2.15 0.30 -1.28 116.67 130.41 1nqa s ASP 293 Ca 0.73 -2.65 0.22 0.00 0.43 0.00 0.00 52.55 51.28 1nqa s ASP 293 Cb -0.44 -2.36 1.23 0.00 -0.30 0.00 0.00 42.92 41.06 1nqa s ASP 293 CO 0.32 -0.80 1.92 0.00 -0.17 0.00 0.00 175.17 176.43 1nqa h ALA 294 N 7.84 2.38 0.00 3.66 0.00 -1.38 -1.42 119.26 130.34 1nqa h ALA 294 Ca 0.21 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.12 1nqa h ALA 294 Cb 0.95 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.74 1nqa h ALA 294 CO 1.11 -0.60 0.00 -0.07 0.00 0.00 0.00 179.25 179.69 1nqa h LEU 295 N 0.23 0.00 -0.19 0.00 3.38 -1.87 -2.72 115.31 114.14 1nqa h LEU 295 Ca 0.38 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.35 1nqa h LEU 295 Cb 1.14 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.89 1nqa h LEU 295 CO -0.08 0.00 -0.53 -1.20 0.09 0.00 0.00 178.44 176.72 1nqa n SER 296 N -3.06 0.82 -4.73 -0.43 7.64 -0.54 -4.93 113.62 108.39 1nqa n SER 296 Ca -0.01 -0.63 -0.42 0.00 1.01 0.00 0.00 58.87 58.83 1nqa n SER 296 Cb 0.19 0.37 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 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 -2.84 2.59 0.07 0.44 2.01 -1.03 -4.79 115.64 112.10 1nqa s THR 297 Ca 0.14 0.47 -0.07 0.00 0.31 0.00 0.00 61.69 62.54 1nqa s THR 297 Cb 0.18 -3.30 -0.01 0.00 0.01 0.00 0.00 72.50 69.38 1nqa s THR 297 CO 0.68 0.06 0.13 0.00 -0.69 0.00 0.00 174.62 174.80 1nqa s MET 298 N 0.23 0.77 -0.04 4.92 0.23 -1.11 -4.99 119.30 119.30 1nqa s MET 298 Ca 0.64 -1.00 -0.06 0.00 -1.03 0.00 0.00 55.69 54.24 1nqa s MET 298 Cb -0.43 0.30 0.01 0.00 -1.53 0.00 0.00 34.83 33.18 1nqa s MET 298 CO 0.39 -0.22 0.15 0.08 -2.03 0.00 0.00 175.02 173.38 1nqa s VAL 299 N -3.77 0.03 -0.07 5.16 1.01 -1.26 -1.42 120.40 120.08 1nqa s VAL 299 Ca 0.05 -0.23 0.04 0.00 0.00 0.00 0.00 61.98 61.83 1nqa s VAL 299 Cb 0.05 -0.29 0.00 0.00 0.00 0.00 0.00 36.38 36.14 1nqa s VAL 299 CO -0.10 -0.13 -0.17 -0.63 0.00 0.00 0.00 175.10 174.07 1nqa s ILE 300 N -0.40 1.51 -1.67 2.22 1.01 0.02 -4.71 121.20 119.18 1nqa s ILE 300 Ca -0.05 -0.72 0.00 0.00 0.00 0.00 0.00 60.65 59.88 1nqa s ILE 300 Cb -0.03 -1.32 0.00 0.00 0.01 0.00 0.00 42.46 41.12 1nqa s ILE 300 CO 0.01 0.44 0.00 0.47 0.00 0.00 0.00 174.94 175.85 1nqa n ASP 301 N 3.48 -4.25 0.00 3.58 8.00 -1.26 -1.72 116.55 124.38 1nqa n ASP 301 Ca -0.20 0.37 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1nqa n ASP 301 Cb 0.52 -3.85 0.00 0.00 -0.02 0.00 0.00 41.12 37.78 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 -0.34 0.01 0.01 0.44 0.00 -1.26 -4.72 105.19 99.33 1nqa n GLY 302 Ca -0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.85 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 0.49 2.75 -4.02 1.61 4.76 -0.70 -0.83 118.16 122.22 1nqa n LYS 303 Ca 0.00 0.00 -0.34 0.00 -2.87 0.00 0.00 58.31 55.10 1nqa n LYS 303 Cb 0.42 -1.05 -0.10 0.00 -1.84 0.00 0.00 35.03 32.46 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 -2.04 3.95 0.12 1.97 1.75 -0.83 -0.07 119.30 124.15 1nqa s MET 304 Ca -0.01 -0.36 0.06 0.00 -1.25 0.00 0.00 55.69 54.13 1nqa s MET 304 Cb 0.01 -3.20 -0.04 0.00 2.84 0.00 0.00 34.83 34.44 1nqa s MET 304 CO 0.07 0.26 -0.15 0.54 -0.65 0.00 0.00 175.02 175.09 1nqa s VAL 305 N 0.40 1.38 -0.12 10.11 0.11 -0.20 -0.80 120.40 131.28 1nqa s VAL 305 Ca 0.03 -1.71 0.01 0.00 -2.93 0.00 0.00 61.98 57.38 1nqa s VAL 305 Cb -0.13 -1.54 0.02 0.00 -1.53 0.00 0.00 36.38 33.20 1nqa s VAL 305 CO 0.00 -0.38 -0.15 -0.75 -3.33 0.00 0.00 175.10 170.49 1nqa s LYS 306 N -2.61 2.25 -0.08 1.54 2.20 -0.51 -0.73 119.74 121.80 1nqa s LYS 306 Ca 0.09 -0.57 0.04 0.00 -0.36 0.00 0.00 55.97 55.17 1nqa s LYS 306 Cb -0.05 -1.95 0.00 0.00 -1.51 0.00 0.00 37.83 34.32 1nqa s LYS 306 CO 0.03 -0.10 -0.21 0.08 -0.36 0.00 0.00 175.35 174.80 1nqa s VAL 307 N 1.09 1.77 -0.13 4.02 1.01 0.28 -2.76 120.40 125.69 1nqa s VAL 307 Ca -0.04 -0.86 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1nqa s VAL 307 Cb -0.14 -1.55 -0.01 0.00 0.00 0.00 0.00 36.38 34.68 1nqa s VAL 307 CO -0.04 0.50 -0.15 -0.69 0.00 0.00 0.00 175.10 174.72 1nqa s VAL 308 N 0.37 2.80 -0.03 2.92 1.01 -1.26 -0.78 120.40 125.43 1nqa s VAL 308 Ca -0.16 -0.74 0.01 0.00 0.00 0.00 0.00 61.98 61.09 1nqa s VAL 308 Cb -0.17 -2.16 0.02 0.00 0.00 0.00 0.00 36.38 34.07 1nqa s VAL 308 CO 0.07 0.53 -0.02 -0.55 0.00 0.00 0.00 175.10 175.12 1nqa s SER 309 N 0.48 0.56 0.39 3.32 0.15 -0.20 -0.54 113.70 117.85 1nqa s SER 309 Ca -0.11 -0.06 -0.12 0.00 0.70 0.00 0.00 55.95 56.36 1nqa s SER 309 Cb -0.16 -0.23 -0.07 0.00 -1.71 0.00 0.00 66.02 63.84 1nqa s SER 309 CO 0.05 -0.05 0.77 0.26 1.20 0.00 0.00 173.24 175.47 1nqa s TRP 310 N 0.69 3.44 -0.26 3.44 0.52 0.51 -0.15 118.94 127.13 1nqa s TRP 310 Ca -0.08 1.11 -0.16 0.00 0.02 0.00 0.00 56.10 57.00 1nqa s TRP 310 Cb -0.11 -2.48 0.08 0.00 -1.15 0.00 0.00 33.47 29.80 1nqa s TRP 310 CO -0.01 -0.06 0.65 1.52 0.02 0.00 0.00 176.95 179.07 1nqa s TYR 311 N -2.27 -0.96 -0.77 -1.98 1.13 -0.16 -1.08 117.35 111.25 1nqa s TYR 311 Ca 0.52 1.97 -0.24 0.00 -1.41 0.00 0.00 57.07 57.92 1nqa s TYR 311 Cb -0.10 0.54 0.06 0.00 -1.10 0.00 0.00 41.96 41.36 1nqa s TYR 311 CO 0.27 -0.48 1.16 0.34 -2.51 0.00 0.00 175.55 174.33 1nqa s ASP 312 N 1.46 6.27 0.33 -0.18 -1.08 -1.26 -0.50 116.67 121.71 1nqa s ASP 312 Ca -0.09 -1.01 0.16 0.00 -0.52 0.00 0.00 52.55 51.09 1nqa s ASP 312 Cb -0.05 -2.49 0.87 0.00 -1.46 0.00 0.00 42.92 39.79 1nqa s ASP 312 CO -0.17 -1.54 1.42 -0.46 0.52 0.00 0.00 175.17 174.95 1nqa n ASN 313 N 8.30 0.42 -0.09 -0.34 6.94 -1.26 -1.46 115.26 127.77 1nqa n ASN 313 Ca 0.07 0.63 -0.10 0.00 -0.02 0.00 0.00 54.58 55.16 1nqa n ASN 313 Cb 0.48 -0.61 -0.03 0.00 -2.36 0.00 0.00 39.78 37.26 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 -2.13 0.50 -0.04 -3.83 1.02 -1.26 -4.36 120.64 110.54 1nqa n GLU 314 Ca -0.01 0.20 -0.12 0.00 -0.02 0.00 0.00 57.16 57.21 1nqa n GLU 314 Cb 0.23 -1.38 -0.07 0.00 -0.02 0.00 0.00 31.44 30.20 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 -0.94 1.29 0.18 2.62 2.02 -1.81 -1.01 112.91 115.25 1nqa h THR 315 Ca -0.06 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.16 1nqa h THR 315 Cb 1.00 1.68 0.00 0.00 -1.74 0.00 0.00 68.15 69.09 1nqa h THR 315 CO -0.04 0.27 -0.09 1.23 0.37 0.00 0.00 175.52 177.27 1nqa h GLY 316 N -0.09 -0.25 0.99 2.16 0.00 -1.18 -1.47 103.07 103.24 1nqa h GLY 316 Ca 0.03 0.09 0.00 0.00 0.00 0.00 0.00 47.33 47.45 1nqa h GLY 316 CO 0.01 -0.09 0.27 -1.82 0.00 0.00 0.00 176.54 174.91 1nqa h TYR 317 N -0.24 0.55 -0.96 5.60 3.20 -1.65 -1.97 116.97 121.49 1nqa h TYR 317 Ca -0.02 0.00 0.04 0.00 3.14 0.00 0.00 58.73 61.89 1nqa h TYR 317 Cb 0.19 -0.18 -0.06 0.00 1.54 0.00 0.00 36.73 38.22 1nqa h TYR 317 CO -0.06 0.37 0.63 0.77 -1.64 0.00 0.00 178.16 178.22 1nqa h SER 318 N 0.56 1.03 -0.26 -2.11 0.02 -1.06 -0.33 113.55 111.40 1nqa h SER 318 Ca 0.15 -0.01 -0.05 0.00 -0.84 0.00 0.00 61.79 61.04 1nqa h SER 318 Cb -0.03 -0.23 -0.02 0.00 0.14 0.00 0.00 62.40 62.26 1nqa h SER 318 CO -0.03 0.70 0.01 0.45 -1.14 0.00 0.00 176.83 176.82 1nqa h HIS 319 N 1.19 0.59 -0.05 3.45 3.86 -0.77 -2.14 115.15 121.27 1nqa h HIS 319 Ca 0.39 -0.06 -0.13 0.00 -1.16 0.00 0.00 60.37 59.41 1nqa h HIS 319 Cb 0.05 -0.17 -0.01 0.00 1.06 0.00 0.00 27.41 28.33 1nqa h HIS 319 CO -0.00 0.57 -0.54 0.00 0.86 0.00 0.00 177.93 178.81 1nqa h ARG 320 N 0.54 0.16 -0.13 2.45 2.47 -0.38 -0.36 114.38 119.13 1nqa h ARG 320 Ca 0.12 -0.10 -0.01 0.00 -1.26 0.00 0.00 59.98 58.73 1nqa h ARG 320 Cb 0.34 0.01 -0.01 0.00 -1.65 0.00 0.00 29.97 28.66 1nqa h ARG 320 CO 0.01 0.66 0.04 0.28 0.56 0.00 0.00 179.97 181.52 1nqa h VAL 321 N 0.12 1.18 -0.69 2.04 2.07 -0.60 0.23 116.25 120.60 1nqa h VAL 321 Ca -0.00 -0.54 -0.05 0.00 0.82 0.00 0.00 66.70 66.93 1nqa h VAL 321 Cb 1.00 1.30 -0.03 0.00 -1.52 0.00 0.00 31.29 32.04 1nqa h VAL 321 CO 0.08 0.16 0.24 0.58 0.02 0.00 0.00 177.57 178.65 1nqa h VAL 322 N 0.02 1.25 -0.61 2.57 2.07 -1.26 -1.32 116.25 118.97 1nqa h VAL 322 Ca 0.04 -0.83 0.00 0.00 0.82 0.00 0.00 66.70 66.73 1nqa h VAL 322 Cb 0.22 0.49 -0.03 0.00 -1.52 0.00 0.00 31.29 30.44 1nqa h VAL 322 CO -0.00 0.33 0.38 0.44 0.02 0.00 0.00 177.57 178.74 1nqa h ASP 323 N 1.01 0.72 -0.56 0.57 3.32 -0.86 -1.68 116.42 118.93 1nqa h ASP 323 Ca 0.23 -0.04 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1nqa h ASP 323 Cb 0.26 -0.18 -0.03 0.00 0.22 0.00 0.00 39.33 39.61 1nqa h ASP 323 CO -0.01 0.55 0.12 0.25 -1.72 0.00 0.00 179.24 178.43 1nqa h LEU 324 N 0.83 0.89 -0.60 1.55 5.85 -0.64 -0.63 115.31 122.56 1nqa h LEU 324 Ca 0.22 -0.18 -0.05 0.00 0.84 0.00 0.00 57.88 58.71 1nqa h LEU 324 Cb -0.06 -0.23 -0.03 0.00 0.37 0.00 0.00 40.66 40.72 1nqa h LEU 324 CO -0.04 0.88 0.18 0.00 -0.34 0.00 0.00 178.44 179.12 1nqa h ALA 325 N 1.23 0.79 -0.56 1.25 0.00 -0.80 0.37 119.26 121.54 1nqa h ALA 325 Ca 0.19 -0.21 -0.08 0.00 0.00 0.00 0.00 54.91 54.81 1nqa h ALA 325 Cb 0.35 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 17.89 1nqa h ALA 325 CO 0.00 0.47 0.03 0.00 0.00 0.00 0.00 179.25 179.75 1nqa h ALA 326 N 1.06 0.74 0.02 0.00 0.00 -1.02 -0.37 119.26 119.69 1nqa h ALA 326 Ca 0.19 -0.28 -0.00 0.00 0.00 0.00 0.00 54.91 54.82 1nqa h ALA 326 Cb 0.30 -0.21 0.00 0.00 0.00 0.00 0.00 17.79 17.88 1nqa h ALA 326 CO -0.00 0.54 -0.01 -0.92 0.00 0.00 0.00 179.25 178.86 1nqa h TYR 327 N 0.84 -0.03 -0.77 0.00 3.20 -0.75 0.22 116.97 119.68 1nqa h TYR 327 Ca 0.16 -0.00 0.00 0.00 3.14 0.00 0.00 58.73 62.03 1nqa h TYR 327 Cb 0.50 0.01 -0.04 0.00 1.54 0.00 0.00 36.73 38.74 1nqa h TYR 327 CO 0.04 0.01 0.49 0.82 -1.64 0.00 0.00 178.16 177.87 1nqa h ILE 328 N -0.06 1.21 -0.67 1.81 2.04 -0.83 -2.46 117.51 118.56 1nqa h ILE 328 Ca -0.00 -0.42 -0.02 0.00 1.00 0.00 0.00 64.86 65.41 1nqa h ILE 328 Cb 0.05 0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.20 1nqa h ILE 328 CO 0.01 0.21 0.35 0.00 0.00 0.00 0.00 178.15 178.71 1nqa h ALA 329 N 1.26 0.86 0.00 1.87 0.00 -0.72 -2.31 119.26 120.23 1nqa h ALA 329 Ca 0.28 -0.12 0.00 0.00 0.00 0.00 0.00 54.91 55.07 1nqa h ALA 329 Cb -0.08 -0.27 0.00 0.00 0.00 0.00 0.00 17.79 17.44 1nqa h ALA 329 CO -0.06 0.40 0.00 0.66 0.00 0.00 0.00 179.25 180.26 1nqa h SER 330 N 0.93 0.00 -0.09 0.00 4.64 -0.48 -1.28 113.55 117.26 1nqa h SER 330 Ca 0.23 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.55 1nqa h SER 330 Cb 0.08 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.17 1nqa h SER 330 CO -0.03 0.00 0.00 0.29 -0.87 0.00 0.00 176.83 176.22 1nqa n LYS 331 N -2.68 1.79 0.00 4.77 4.76 -0.87 -5.03 118.16 120.90 1nqa n LYS 331 Ca -0.01 -1.17 0.00 0.00 -2.87 0.00 0.00 58.31 54.25 1nqa n LYS 331 Cb 0.10 -1.45 0.00 0.00 -1.84 0.00 0.00 35.03 31.84 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 1.19 -0.55 0.56 0.72 0.00 -0.48 -4.89 105.19 101.75 1nqa n GLY 332 Ca 0.18 -1.24 0.07 0.00 0.00 0.00 0.00 46.02 45.03 1nqa n GLY 332 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36