#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqa s VAL 17 N 0.00 5.20 -0.37 1.39 1.01 0.55 -3.93 120.40 124.25 1pqa s VAL 17 Ca 0.00 0.11 0.00 0.00 0.00 0.00 0.00 61.98 62.09 1pqa s VAL 17 Cb 0.00 -3.34 0.00 0.00 0.00 0.00 0.00 36.38 33.04 1pqa s VAL 17 CO 0.00 0.49 0.00 0.61 0.00 0.00 0.00 175.10 176.20 1pqa n GLY 18 N 3.15 0.65 0.83 4.51 0.00 -1.22 -1.94 105.19 111.17 1pqa n GLY 18 Ca -0.17 -0.78 -0.05 0.00 0.00 0.00 0.00 46.02 45.01 1pqa n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqa n GLY 19 N -2.48 0.53 3.23 -0.02 0.00 -1.26 -4.90 105.19 100.29 1pqa n GLY 19 Ca -0.03 -1.94 -0.13 0.00 0.00 0.00 0.00 46.02 43.92 1pqa n GLY 19 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1pqa s THR 20 N -0.60 0.56 0.12 2.61 -4.23 0.05 -4.93 115.64 109.23 1pqa s THR 20 Ca 0.14 -1.97 -0.31 0.00 -1.18 0.00 0.00 61.69 58.37 1pqa s THR 20 Cb -0.01 -2.15 -0.09 0.00 1.34 0.00 0.00 72.50 71.59 1pqa s THR 20 CO 0.10 -0.44 1.60 -0.44 -0.54 0.00 0.00 174.62 174.90 1pqa s SER 21 N -3.16 6.60 0.58 3.99 0.01 -1.26 -0.63 113.70 119.82 1pqa s SER 21 Ca 0.25 2.56 -0.19 0.00 1.31 0.00 0.00 55.95 59.88 1pqa s SER 21 Cb 0.06 -2.58 -0.04 0.00 0.21 0.00 0.00 66.02 63.67 1pqa s SER 21 CO 0.04 -0.85 1.17 0.00 0.41 0.00 0.00 173.24 174.01 1pqa s ALA 22 N 1.79 2.60 0.19 1.44 0.00 -0.39 -4.80 121.76 122.59 1pqa s ALA 22 Ca 0.72 0.90 -0.00 0.00 0.00 0.00 0.00 51.96 53.57 1pqa s ALA 22 Cb -0.42 -3.40 -0.04 0.00 0.00 0.00 0.00 23.12 19.26 1pqa s ALA 22 CO 0.32 -1.01 0.37 -1.12 0.00 0.00 0.00 175.76 174.32 1pqa s SER 23 N -1.75 6.38 0.17 0.00 0.01 -1.26 -4.90 113.70 112.35 1pqa s SER 23 Ca 0.75 0.36 -0.34 0.00 1.31 0.00 0.00 55.95 58.03 1pqa s SER 23 Cb -0.27 -1.99 -0.14 0.00 0.21 0.00 0.00 66.02 63.83 1pqa s SER 23 CO 0.31 -0.03 1.53 0.00 0.41 0.00 0.00 173.24 175.47 1pqa n ALA 24 N -0.64 1.12 -0.66 1.44 0.00 -1.26 -1.55 120.51 118.95 1pqa n ALA 24 Ca -0.05 0.45 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1pqa n ALA 24 Cb 0.54 -2.32 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1pqa n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqa n GLY 25 N 3.16 0.83 0.26 0.00 0.00 -1.26 -4.94 105.19 103.24 1pqa n GLY 25 Ca 0.16 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.18 1pqa n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pqa h ASP 26 N 0.00 0.46 -2.36 1.61 3.32 -1.68 -3.35 116.42 114.42 1pqa h ASP 26 Ca 0.00 -0.09 -0.59 0.00 0.02 0.00 0.00 57.03 56.37 1pqa h ASP 26 Cb 0.00 -0.12 -0.39 0.00 0.22 0.00 0.00 39.33 39.04 1pqa h ASP 26 CO 0.00 0.56 -0.96 0.49 -1.72 0.00 0.00 179.24 177.61 1pqa n PHE 27 N -4.26 -0.36 0.32 4.55 3.72 -1.26 -5.00 117.46 115.17 1pqa n PHE 27 Ca 0.01 -3.46 0.21 0.00 -0.05 0.00 0.00 57.45 54.16 1pqa n PHE 27 Cb 0.27 0.06 1.09 0.00 -0.94 0.00 0.00 39.48 39.96 1pqa n PHE 27 CO 0.00 0.00 0.00 -1.35 -0.05 0.00 0.00 176.76 175.36 1pqa h PRO 28 N 5.28 0.00 -0.01 -1.08 0.11 -1.76 -1.47 132.00 133.07 1pqa h PRO 28 Ca 0.22 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.33 1pqa h PRO 28 Cb 0.88 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.99 1pqa h PRO 28 CO 0.43 0.00 -0.31 1.97 -0.21 0.00 0.00 178.00 179.88 1pqa n PHE 29 N -3.05 0.00 -2.42 0.65 1.16 -1.18 -2.21 117.46 110.41 1pqa n PHE 29 Ca -0.02 0.00 -0.39 0.00 -1.87 0.00 0.00 57.45 55.17 1pqa n PHE 29 Cb 0.12 -0.05 -0.03 0.00 -1.61 0.00 0.00 39.48 37.90 1pqa n PHE 29 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1pqa s ILE 30 N -2.41 3.41 0.10 1.97 2.07 -0.56 -0.15 121.20 125.63 1pqa s ILE 30 Ca 0.23 1.26 0.09 0.00 -1.41 0.00 0.00 60.65 60.82 1pqa s ILE 30 Cb 0.19 -3.74 -0.03 0.00 0.13 0.00 0.00 42.46 39.01 1pqa s ILE 30 CO 0.51 0.18 -0.23 0.68 -1.91 0.00 0.00 174.94 174.17 1pqa s VAL 31 N -1.36 1.87 -0.02 4.00 -7.23 -0.44 -4.34 120.40 112.88 1pqa s VAL 31 Ca 0.52 -1.54 -0.09 0.00 -1.81 0.00 0.00 61.98 59.05 1pqa s VAL 31 Cb -0.29 -1.67 -0.05 0.00 0.56 0.00 0.00 36.38 34.92 1pqa s VAL 31 CO 0.38 0.04 0.29 -0.94 -0.31 0.00 0.00 175.10 174.55 1pqa s SER 32 N -1.81 6.57 -0.25 4.85 1.04 -0.49 -1.13 113.70 122.49 1pqa s SER 32 Ca 0.09 0.67 0.02 0.00 0.48 0.00 0.00 55.95 57.21 1pqa s SER 32 Cb -0.10 -2.14 0.05 0.00 0.10 0.00 0.00 66.02 63.93 1pqa s SER 32 CO 0.04 0.31 -0.12 -0.63 0.98 0.00 0.00 173.24 173.82 1pqa s ILE 33 N -1.18 2.24 0.34 -1.02 1.01 0.33 -1.14 121.20 121.78 1pqa s ILE 33 Ca 0.24 -1.46 -0.00 0.00 0.00 0.00 0.00 60.65 59.42 1pqa s ILE 33 Cb -0.14 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.06 1pqa s ILE 33 CO 0.12 0.09 0.56 -0.94 0.00 0.00 0.00 174.94 174.77 1pqa s SER 34 N 1.16 6.31 -0.08 3.58 1.04 -0.26 -1.20 113.70 124.25 1pqa s SER 34 Ca -0.06 0.51 -0.02 0.00 0.48 0.00 0.00 55.95 56.86 1pqa s SER 34 Cb -0.18 -2.06 0.03 0.00 0.10 0.00 0.00 66.02 63.91 1pqa s SER 34 CO -0.06 -0.29 0.02 -0.60 0.98 0.00 0.00 173.24 173.29 1pqa s ARG 35 N -4.21 0.48 -0.87 4.02 3.52 0.42 -1.98 118.95 120.32 1pqa s ARG 35 Ca 0.41 0.10 0.00 0.00 -0.13 0.00 0.00 55.73 56.11 1pqa s ARG 35 Cb -0.10 -1.02 0.00 0.00 -1.56 0.00 0.00 34.95 32.28 1pqa s ARG 35 CO 0.36 -0.35 0.00 0.09 -0.81 0.00 0.00 175.30 174.59 1pqa n ASN 36 N 5.17 -3.52 -0.22 -2.12 3.02 0.02 -1.74 115.26 115.88 1pqa n ASN 36 Ca -0.07 0.06 -0.03 0.00 -0.03 0.00 0.00 54.58 54.52 1pqa n ASN 36 Cb 0.50 -2.51 -0.01 0.00 -0.61 0.00 0.00 39.78 37.14 1pqa n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pqa n GLY 37 N -1.25 0.52 3.42 7.41 0.00 -1.26 -5.01 105.19 109.02 1pqa n GLY 37 Ca -0.11 -0.17 -0.21 0.00 0.00 0.00 0.00 46.02 45.53 1pqa n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pqa s GLY 38 N -2.26 1.85 0.54 -0.02 0.00 -0.71 -5.08 107.32 101.63 1pqa s GLY 38 Ca 0.00 -1.92 -0.21 0.00 0.00 0.00 0.00 44.72 42.59 1pqa s GLY 38 CO 0.00 -1.81 1.23 2.56 0.00 0.00 0.00 173.10 175.07 1pqa s PRO 39 N -3.78 3.27 0.39 2.90 0.04 -1.26 -0.43 135.00 136.12 1pqa s PRO 39 Ca 0.31 1.90 0.00 0.00 0.04 0.00 0.00 61.00 63.24 1pqa s PRO 39 Cb 0.05 -2.15 0.00 0.00 0.04 0.00 0.00 34.50 32.44 1pqa s PRO 39 CO 0.12 -0.99 0.00 1.87 0.04 0.00 0.00 177.00 178.04 1pqa n TRP 40 N -1.11 -3.70 -4.07 0.56 -0.00 -1.09 -4.64 117.44 103.38 1pqa n TRP 40 Ca 0.11 1.06 -0.13 0.00 -0.00 0.00 0.00 57.50 58.54 1pqa n TRP 40 Cb 0.48 2.32 -0.05 0.00 -0.00 0.00 0.00 31.31 34.07 1pqa n TRP 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pqa s GLY 42 N -3.17 2.69 0.26 0.00 0.00 -1.26 -0.51 107.32 105.33 1pqa s GLY 42 Ca 0.29 -0.99 -0.20 0.00 0.00 0.00 0.00 44.72 43.82 1pqa s GLY 42 CO 0.17 -2.07 0.94 -0.32 0.00 0.00 0.00 173.10 171.82 1pqa s GLY 43 N -4.01 0.22 -0.10 0.20 0.00 -0.28 -2.90 107.32 100.44 1pqa s GLY 43 Ca 0.21 -0.51 0.02 0.00 0.00 0.00 0.00 44.72 44.44 1pqa s GLY 43 CO 0.12 1.42 -0.15 -0.56 0.00 0.00 0.00 173.10 173.93 1pqa s SER 44 N -3.29 2.42 -0.24 1.64 0.01 -0.09 -1.33 113.70 112.83 1pqa s SER 44 Ca 0.20 -0.43 -0.29 0.00 1.31 0.00 0.00 55.95 56.74 1pqa s SER 44 Cb -0.04 -1.09 -0.00 0.00 0.21 0.00 0.00 66.02 65.11 1pqa s SER 44 CO 0.08 0.02 1.20 -0.22 0.41 0.00 0.00 173.24 174.73 1pqa s LEU 45 N 0.93 4.04 -0.04 2.44 2.96 0.78 -0.64 118.68 129.16 1pqa s LEU 45 Ca -0.08 1.40 0.14 0.00 -0.22 0.00 0.00 54.13 55.37 1pqa s LEU 45 Cb -0.15 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.78 1pqa s LEU 45 CO -0.01 -0.85 0.65 0.18 -1.32 0.00 0.00 176.35 175.00 1pqa n LEU 46 N 6.87 0.82 0.00 -0.68 4.77 0.41 -1.35 117.00 127.84 1pqa n LEU 46 Ca 0.13 0.39 -0.01 0.00 -0.03 0.00 0.00 56.01 56.49 1pqa n LEU 46 Cb 0.46 0.18 0.02 0.00 -2.33 0.00 0.00 43.42 41.74 1pqa n LEU 46 CO 0.58 0.36 0.71 -0.46 -1.33 0.00 0.00 177.39 177.25 1pqa n ASN 47 N -3.00 -1.31 0.31 -1.43 0.23 -1.21 -4.53 115.26 104.31 1pqa n ASN 47 Ca -0.17 -1.62 0.17 0.00 -0.53 0.00 0.00 54.58 52.44 1pqa n ASN 47 Cb 1.03 2.12 0.99 0.00 -2.08 0.00 0.00 39.78 41.84 1pqa n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pqa h ALA 48 N 2.00 1.32 0.00 -2.53 0.00 -1.96 -2.88 119.26 115.21 1pqa h ALA 48 Ca -0.21 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 54.66 1pqa h ALA 48 Cb 0.97 -0.00 -0.06 0.00 0.00 0.00 0.00 17.79 18.70 1pqa h ALA 48 CO 0.29 0.02 -0.40 0.27 0.00 0.00 0.00 179.25 179.42 1pqa n ASN 49 N -3.56 1.41 -3.76 0.00 6.94 -1.26 -0.33 115.26 114.68 1pqa n ASN 49 Ca -0.03 -2.83 -0.14 0.00 -0.02 0.00 0.00 54.58 51.56 1pqa n ASN 49 Cb 0.10 -0.37 -0.15 0.00 -2.36 0.00 0.00 39.78 36.99 1pqa n ASN 49 CO 0.00 0.00 0.00 -0.89 -1.03 0.00 0.00 177.26 175.34 1pqa s THR 50 N -1.79 -0.05 -0.03 5.53 2.01 -1.09 -1.33 115.64 118.89 1pqa s THR 50 Ca 0.26 0.19 0.07 0.00 0.31 0.00 0.00 61.69 62.51 1pqa s THR 50 Cb 0.25 -0.16 -0.01 0.00 0.01 0.00 0.00 72.50 72.58 1pqa s THR 50 CO -0.03 0.08 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.05 1pqa s VAL 51 N 1.05 1.87 -0.23 3.82 1.01 -0.39 -0.44 120.40 127.09 1pqa s VAL 51 Ca -0.08 -1.00 -0.10 0.00 0.00 0.00 0.00 61.98 60.80 1pqa s VAL 51 Cb -0.11 -1.57 -0.05 0.00 0.00 0.00 0.00 36.38 34.65 1pqa s VAL 51 CO -0.04 0.53 0.14 -0.22 0.00 0.00 0.00 175.10 175.51 1pqa s LEU 52 N -0.40 4.11 0.00 3.92 2.96 0.19 -0.14 118.68 129.32 1pqa s LEU 52 Ca 0.05 0.13 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1pqa s LEU 52 Cb -0.11 -2.09 -0.01 0.00 0.50 0.00 0.00 46.19 44.48 1pqa s LEU 52 CO 0.01 0.10 0.13 1.07 -1.32 0.00 0.00 176.35 176.34 1pqa n THR 53 N 4.05 0.00 -2.95 3.68 5.66 -0.48 -0.91 114.28 123.33 1pqa n THR 53 Ca -0.15 -1.19 -0.39 0.00 -3.05 0.00 0.00 64.05 59.27 1pqa n THR 53 Cb 0.52 0.59 -0.06 0.00 -1.55 0.00 0.00 70.33 69.83 1pqa n THR 53 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1pqa s ALA 54 N -2.66 3.41 0.30 1.79 0.00 -1.26 -0.92 121.76 122.42 1pqa s ALA 54 Ca 0.19 0.37 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1pqa s ALA 54 Cb 0.01 -2.99 0.58 0.00 0.00 0.00 0.00 23.12 20.72 1pqa s ALA 54 CO 0.13 0.28 1.88 0.00 0.00 0.00 0.00 175.76 178.05 1pqa h ALA 55 N 4.02 1.56 0.00 0.00 0.00 -1.64 -1.74 119.26 121.45 1pqa h ALA 55 Ca -0.47 -0.00 -0.01 0.00 0.00 0.00 0.00 54.91 54.42 1pqa h ALA 55 Cb 1.20 -0.23 -0.00 0.00 0.00 0.00 0.00 17.79 18.76 1pqa h ALA 55 CO 0.66 0.25 -0.06 1.25 0.00 0.00 0.00 179.25 181.35 1pqa h HIS 56 N 0.97 0.00 0.00 0.00 -0.00 -1.92 0.18 115.15 114.39 1pqa h HIS 56 Ca 0.44 0.00 -0.05 0.00 -0.00 0.00 0.00 60.37 60.76 1pqa h HIS 56 Cb 0.37 0.00 -0.01 0.00 -0.00 0.00 0.00 27.41 27.77 1pqa h HIS 56 CO -0.00 0.06 -0.24 0.00 -0.00 0.00 0.00 177.93 177.75 1pqa n VAL 58 N -3.80 0.00 -1.67 0.00 0.24 -0.55 -4.96 118.33 107.58 1pqa n VAL 58 Ca -0.02 -0.07 -0.44 0.00 -2.04 0.00 0.00 64.34 61.77 1pqa n VAL 58 Cb 0.34 0.45 -0.04 0.00 -1.47 0.00 0.00 33.84 33.12 1pqa n VAL 58 CO 0.00 0.00 0.00 -0.24 -2.14 0.00 0.00 176.83 174.45 1pqa n SER 59 N -0.75 3.85 0.00 -1.34 2.88 0.54 -2.08 113.62 116.72 1pqa n SER 59 Ca 0.00 0.96 0.00 0.00 -1.33 0.00 0.00 58.87 58.50 1pqa n SER 59 Cb 0.00 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 61.98 1pqa n SER 59 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pqa n GLY 60 N 4.36 2.98 3.85 0.46 0.00 -1.26 -4.99 105.19 110.59 1pqa n GLY 60 Ca 0.20 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.91 1pqa n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pqa s TYR 61 N -1.61 3.48 0.02 1.61 2.02 -0.88 -5.00 117.35 117.00 1pqa s TYR 61 Ca 0.00 1.33 -0.30 0.00 -0.37 0.00 0.00 57.07 57.73 1pqa s TYR 61 Cb 0.00 -2.69 -0.08 0.00 -0.40 0.00 0.00 41.96 38.79 1pqa s TYR 61 CO 0.00 -0.35 1.88 0.00 -1.57 0.00 0.00 175.55 175.51 1pqa s ALA 62 N -2.65 3.61 0.37 3.71 0.00 -1.26 -4.87 121.76 120.67 1pqa s ALA 62 Ca 0.56 1.24 0.17 0.00 0.00 0.00 0.00 51.96 53.94 1pqa s ALA 62 Cb -0.10 -3.81 0.93 0.00 0.00 0.00 0.00 23.12 20.14 1pqa s ALA 62 CO 0.35 -1.49 1.90 -0.56 0.00 0.00 0.00 175.76 175.95 1pqa h GLN 63 N 10.15 0.00 0.00 0.00 3.07 -1.94 -2.07 115.11 124.32 1pqa h GLN 63 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1pqa h GLN 63 Cb 1.22 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.78 1pqa h GLN 63 CO 0.94 0.28 0.00 -1.13 0.09 0.00 0.00 178.83 179.01 1pqa n SER 64 N -3.95 0.50 0.02 0.06 3.41 -1.26 -2.46 113.62 109.93 1pqa n SER 64 Ca -0.02 0.70 0.13 0.00 -0.26 0.00 0.00 58.87 59.42 1pqa n SER 64 Cb 0.35 -0.78 0.54 0.00 -0.26 0.00 0.00 64.21 64.07 1pqa n SER 64 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pqa n GLY 65 N -1.01 -1.45 3.90 5.00 0.00 -0.78 -4.87 105.19 105.98 1pqa n GLY 65 Ca -0.00 -0.08 -0.33 0.00 0.00 0.00 0.00 46.02 45.61 1pqa n GLY 65 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1pqa s PHE 66 N -3.02 3.54 0.01 1.61 0.08 -1.03 -0.80 117.98 118.37 1pqa s PHE 66 Ca 0.12 0.50 0.01 0.00 0.12 0.00 0.00 56.93 57.69 1pqa s PHE 66 Cb 0.16 -1.94 -0.01 0.00 -0.57 0.00 0.00 43.02 40.66 1pqa s PHE 66 CO 0.50 0.56 -0.05 -1.14 -0.10 0.00 0.00 175.22 174.99 1pqa s GLN 67 N -2.13 0.38 0.00 0.44 0.74 -0.84 -4.35 119.66 113.90 1pqa s GLN 67 Ca 0.32 -0.28 0.00 0.00 0.05 0.00 0.00 55.36 55.45 1pqa s GLN 67 Cb -0.13 -0.31 -0.04 0.00 1.10 0.00 0.00 33.01 33.64 1pqa s GLN 67 CO 0.21 0.08 0.06 0.42 -0.55 0.00 0.00 175.29 175.51 1pqa s ILE 68 N -0.40 4.58 -0.05 -2.34 1.09 0.14 -1.10 121.20 123.12 1pqa s ILE 68 Ca -0.01 -0.47 0.02 0.00 -1.10 0.00 0.00 60.65 59.09 1pqa s ILE 68 Cb -0.04 -3.09 0.01 0.00 -1.06 0.00 0.00 42.46 38.29 1pqa s ILE 68 CO -0.00 0.35 -0.11 -0.60 -0.10 0.00 0.00 174.94 174.48 1pqa s ARG 69 N -1.72 1.44 0.17 2.79 3.52 -0.29 -1.32 118.95 123.54 1pqa s ARG 69 Ca 0.22 -0.37 0.08 0.00 -0.13 0.00 0.00 55.73 55.54 1pqa s ARG 69 Cb -0.12 -1.24 -0.04 0.00 -1.56 0.00 0.00 34.95 31.99 1pqa s ARG 69 CO 0.13 0.05 -0.18 0.00 -0.81 0.00 0.00 175.30 174.50 1pqa s ALA 70 N 0.54 2.01 0.00 6.12 0.00 0.28 -1.39 121.76 129.32 1pqa s ALA 70 Ca -0.11 -1.50 0.00 0.00 0.00 0.00 0.00 51.96 50.35 1pqa s ALA 70 Cb -0.14 -0.18 0.00 0.00 0.00 0.00 0.00 23.12 22.81 1pqa s ALA 70 CO 0.02 0.22 0.00 0.41 0.00 0.00 0.00 175.76 176.42 1pqa n GLY 71 N 0.24 0.42 3.17 0.00 0.00 -1.26 -1.22 105.19 106.52 1pqa n GLY 71 Ca -0.13 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 44.81 1pqa n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pqa s SER 72 N -2.96 -0.14 0.40 1.61 0.15 -1.26 -4.16 113.70 107.34 1pqa s SER 72 Ca 0.00 0.10 0.22 0.00 0.70 0.00 0.00 55.95 56.97 1pqa s SER 72 Cb 0.00 0.33 0.55 0.00 -1.71 0.00 0.00 66.02 65.20 1pqa s SER 72 CO 0.00 -0.32 1.67 -0.07 1.20 0.00 0.00 173.24 175.71 1pqa h LEU 73 N 4.51 0.00 -9.80 3.45 3.38 -1.95 -3.45 115.31 111.45 1pqa h LEU 73 Ca -0.29 0.00 -0.57 0.00 0.09 0.00 0.00 57.88 57.11 1pqa h LEU 73 Cb 1.19 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.90 1pqa h LEU 73 CO 0.39 0.24 -0.11 -0.55 0.09 0.00 0.00 178.44 178.50 1pqa s SER 74 N -6.23 6.84 0.00 -0.43 0.15 -1.26 -0.86 113.70 111.91 1pqa s SER 74 Ca 0.03 1.06 0.27 0.00 0.70 0.00 0.00 55.95 58.01 1pqa s SER 74 Cb 0.08 -2.28 0.84 0.00 -1.71 0.00 0.00 66.02 62.95 1pqa s SER 74 CO 0.67 0.15 1.63 -2.11 1.20 0.00 0.00 173.24 174.79 1pqa n ARG 75 N 1.03 0.27 -0.00 5.44 1.85 -0.50 -4.22 116.66 120.53 1pqa n ARG 75 Ca -0.07 -0.12 0.06 0.00 -1.00 0.00 0.00 57.85 56.72 1pqa n ARG 75 Cb 0.52 -1.50 -0.09 0.00 -1.05 0.00 0.00 32.46 30.34 1pqa n ARG 75 CO 0.00 0.00 0.00 0.25 -0.01 0.00 0.00 177.63 177.87 1pqa n THR 76 N -1.26 0.00 -3.66 8.89 -2.24 -1.26 -4.95 114.28 109.80 1pqa n THR 76 Ca 0.09 -0.26 -0.13 0.00 -2.27 0.00 0.00 64.05 61.48 1pqa n THR 76 Cb 0.33 0.54 -0.06 0.00 -2.10 0.00 0.00 70.33 69.04 1pqa n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pqa s SER 77 N -2.97 -0.28 0.00 3.42 1.04 -1.26 -5.13 113.70 108.53 1pqa s SER 77 Ca -0.01 -0.02 0.00 0.00 0.48 0.00 0.00 55.95 56.40 1pqa s SER 77 Cb 0.09 0.43 0.00 0.00 0.10 0.00 0.00 66.02 66.64 1pqa s SER 77 CO 0.54 -0.68 0.00 0.61 0.98 0.00 0.00 173.24 174.70 1pqa n GLY 78 N 0.46 -1.19 7.00 7.32 0.00 -1.26 -4.35 105.19 113.16 1pqa n GLY 78 Ca -0.18 -1.56 0.00 0.00 0.00 0.00 0.00 46.02 44.28 1pqa n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqa n GLY 79 N -0.75 -0.44 3.34 -0.02 0.00 -1.26 -4.72 105.19 101.35 1pqa n GLY 79 Ca 0.00 -1.08 -0.32 0.00 0.00 0.00 0.00 46.02 44.62 1pqa n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pqa s ILE 80 N 0.00 2.38 0.17 -0.61 1.01 -0.36 -4.93 121.20 118.86 1pqa s ILE 80 Ca 0.00 -0.97 0.09 0.00 0.00 0.00 0.00 60.65 59.77 1pqa s ILE 80 Cb 0.00 -1.88 -0.04 0.00 0.01 0.00 0.00 42.46 40.55 1pqa s ILE 80 CO 0.00 0.58 -0.12 0.42 0.00 0.00 0.00 174.94 175.81 1pqa s THR 81 N -0.44 3.07 -0.03 2.92 -4.23 -1.26 -0.56 115.64 115.11 1pqa s THR 81 Ca 0.05 -1.66 -0.16 0.00 -1.18 0.00 0.00 61.69 58.74 1pqa s THR 81 Cb -0.12 -2.50 0.03 0.00 1.34 0.00 0.00 72.50 71.25 1pqa s THR 81 CO 0.01 -0.07 0.34 -0.55 -0.54 0.00 0.00 174.62 173.81 1pqa s SER 82 N -2.70 -0.25 0.72 3.99 0.15 -0.43 -4.77 113.70 110.41 1pqa s SER 82 Ca 0.23 0.22 -0.07 0.00 0.70 0.00 0.00 55.95 57.04 1pqa s SER 82 Cb -0.09 0.39 0.07 0.00 -1.71 0.00 0.00 66.02 64.68 1pqa s SER 82 CO 0.14 -0.41 1.03 -0.44 1.20 0.00 0.00 173.24 174.76 1pqa s SER 83 N -1.10 4.73 -0.12 5.45 0.01 -1.26 -0.68 113.70 120.71 1pqa s SER 83 Ca -0.11 0.44 -0.06 0.00 1.31 0.00 0.00 55.95 57.53 1pqa s SER 83 Cb -0.04 -1.06 -0.04 0.00 0.21 0.00 0.00 66.02 65.09 1pqa s SER 83 CO 0.04 -1.66 0.08 -0.76 0.41 0.00 0.00 173.24 171.36 1pqa s LEU 84 N -5.28 4.04 -0.07 2.44 1.43 -1.26 -1.33 118.68 118.65 1pqa s LEU 84 Ca 0.61 0.29 -0.02 0.00 -1.03 0.00 0.00 54.13 53.98 1pqa s LEU 84 Cb -0.10 -1.98 -0.26 0.00 0.03 0.00 0.00 46.19 43.88 1pqa s LEU 84 CO 0.45 0.35 0.58 0.77 0.23 0.00 0.00 176.35 178.73 1pqa h SER 85 N 5.42 0.34 -4.84 2.29 4.64 -0.94 -3.44 113.55 117.01 1pqa h SER 85 Ca -0.50 -0.64 0.01 0.00 -0.47 0.00 0.00 61.79 60.19 1pqa h SER 85 Cb 1.20 -0.11 -0.15 0.00 -0.31 0.00 0.00 62.40 63.03 1pqa h SER 85 CO 0.60 1.56 0.30 -0.94 -0.87 0.00 0.00 176.83 177.48 1pqa s SER 86 N -6.84 -0.52 -0.07 4.97 1.04 -1.17 -4.99 113.70 106.12 1pqa s SER 86 Ca -0.15 0.19 0.04 0.00 0.48 0.00 0.00 55.95 56.52 1pqa s SER 86 Cb 0.07 0.51 0.00 0.00 0.10 0.00 0.00 66.02 66.70 1pqa s SER 86 CO 0.81 -0.76 -0.20 -0.69 0.98 0.00 0.00 173.24 173.38 1pqa s VAL 87 N -2.82 1.72 -0.24 5.02 1.01 -1.26 -1.15 120.40 122.68 1pqa s VAL 87 Ca -0.01 -0.84 -0.01 0.00 0.00 0.00 0.00 61.98 61.11 1pqa s VAL 87 Cb -0.01 -1.49 0.07 0.00 0.00 0.00 0.00 36.38 34.96 1pqa s VAL 87 CO -0.06 0.48 0.03 -0.60 0.00 0.00 0.00 175.10 174.96 1pqa s ARG 88 N 0.26 0.90 0.52 2.72 3.52 0.12 -4.99 118.95 121.99 1pqa s ARG 88 Ca -0.12 -0.75 -0.15 0.00 -0.13 0.00 0.00 55.73 54.58 1pqa s ARG 88 Cb -0.15 -2.19 -0.07 0.00 -1.56 0.00 0.00 34.95 30.97 1pqa s ARG 88 CO 0.05 -0.74 0.96 0.14 -0.81 0.00 0.00 175.30 174.91 1pqa s VAL 89 N 1.68 4.60 -0.14 7.11 -7.23 -1.26 -0.60 120.40 124.56 1pqa s VAL 89 Ca 0.01 1.06 -0.36 0.00 -1.81 0.00 0.00 61.98 60.88 1pqa s VAL 89 Cb -0.18 -3.75 -0.13 0.00 0.56 0.00 0.00 36.38 32.88 1pqa s VAL 89 CO -0.13 -0.74 1.81 1.57 -0.31 0.00 0.00 175.10 177.30 1pqa n HIS 90 N -1.74 2.21 0.01 2.82 -0.00 0.01 -4.83 115.22 113.70 1pqa n HIS 90 Ca 0.06 0.21 0.23 0.00 0.46 0.00 0.00 57.72 58.67 1pqa n HIS 90 Cb 0.54 -2.58 0.72 0.00 -0.12 0.00 0.00 29.99 28.55 1pqa n HIS 90 CO 0.00 0.00 0.00 -1.35 0.46 0.00 0.00 176.34 175.45 1pqa h PRO 91 N 8.26 0.00 -0.23 1.57 0.11 -1.91 -1.90 132.00 137.91 1pqa h PRO 91 Ca -0.48 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.63 1pqa h PRO 91 Cb 1.29 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.40 1pqa h PRO 91 CO 0.95 0.00 0.00 0.43 -0.21 0.00 0.00 178.00 179.17 1pqa n SER 92 N -3.87 3.42 -4.70 -2.05 7.64 -1.26 -5.00 113.62 107.81 1pqa n SER 92 Ca 0.11 -2.79 -0.42 0.00 1.01 0.00 0.00 58.87 56.77 1pqa n SER 92 Cb 0.74 -0.45 -0.03 0.00 -1.01 0.00 0.00 64.21 63.46 1pqa n SER 92 CO 0.00 0.00 0.00 -0.47 -3.01 0.00 0.00 175.04 171.56 1pqa s TYR 93 N -2.41 2.38 -0.28 1.43 5.04 -0.72 -4.67 117.35 118.13 1pqa s TYR 93 Ca 0.35 0.18 -0.20 0.00 -2.44 0.00 0.00 57.07 54.96 1pqa s TYR 93 Cb 0.28 -4.08 0.10 0.00 0.35 0.00 0.00 41.96 38.60 1pqa s TYR 93 CO 0.09 -4.37 0.83 0.45 -1.34 0.00 0.00 175.55 171.21 1pqa s SER 94 N 2.34 -0.70 1.28 4.32 0.15 -1.14 -4.99 113.70 114.96 1pqa s SER 94 Ca 0.77 1.22 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1pqa s SER 94 Cb -0.44 1.27 0.00 0.00 -1.71 0.00 0.00 66.02 65.14 1pqa s SER 94 CO 0.34 -0.20 0.00 0.61 1.20 0.00 0.00 173.24 175.19 1pqa n GLY 95 N 3.33 0.94 0.00 9.45 0.00 -1.26 -1.15 105.19 116.51 1pqa n GLY 95 Ca -0.17 0.42 0.00 0.00 0.00 0.00 0.00 46.02 46.27 1pqa n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pqa n ASN 96 N 9.57 0.16 -4.85 1.61 5.03 -1.26 -5.06 115.26 120.46 1pqa n ASN 96 Ca 0.00 -0.71 -0.35 0.00 0.87 0.00 0.00 54.58 54.39 1pqa n ASN 96 Cb 0.00 0.08 -0.06 0.00 -1.02 0.00 0.00 39.78 38.78 1pqa n ASN 96 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1pqa s ASN 97 N -0.08 6.80 -1.22 6.41 2.47 -0.30 -4.20 114.94 124.83 1pqa s ASN 97 Ca 0.00 1.08 -0.01 0.00 0.42 0.00 0.00 52.86 54.35 1pqa s ASN 97 Cb 0.00 -2.29 -0.00 0.00 -1.45 0.00 0.00 41.25 37.51 1pqa s ASN 97 CO 0.00 0.06 0.91 0.59 -3.72 0.00 0.00 177.10 174.94 1pqa n ASN 98 N 0.59 -2.07 -3.70 -4.21 3.02 -1.26 -2.87 115.26 104.76 1pqa n ASN 98 Ca -0.04 -0.68 -0.41 0.00 -0.03 0.00 0.00 54.58 53.42 1pqa n ASN 98 Cb 0.52 -4.83 0.00 0.00 -0.61 0.00 0.00 39.78 34.86 1pqa n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1pqa n ASP 99 N -3.11 6.84 -4.19 6.41 2.03 -1.26 -4.29 116.55 118.97 1pqa n ASP 99 Ca -0.28 -3.27 -0.16 0.00 0.52 0.00 0.00 54.79 51.59 1pqa n ASP 99 Cb 0.67 -1.35 -0.11 0.00 -0.72 0.00 0.00 41.12 39.61 1pqa n ASP 99 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pqa s LEU 100 N -2.06 2.37 -0.01 -2.67 1.43 -1.26 -2.87 118.68 113.62 1pqa s LEU 100 Ca 0.44 -0.76 -0.08 0.00 -1.03 0.00 0.00 54.13 52.69 1pqa s LEU 100 Cb 0.14 -0.42 0.01 0.00 0.03 0.00 0.00 46.19 45.94 1pqa s LEU 100 CO -0.04 -0.18 0.17 0.00 0.23 0.00 0.00 176.35 176.52 1pqa s ALA 101 N -2.06 -0.41 -0.21 4.21 0.00 -0.10 -0.81 121.76 122.38 1pqa s ALA 101 Ca 0.04 -0.01 -0.06 0.00 0.00 0.00 0.00 51.96 51.94 1pqa s ALA 101 Cb -0.05 0.07 -0.03 0.00 0.00 0.00 0.00 23.12 23.11 1pqa s ALA 101 CO 0.01 -0.21 0.02 0.42 0.00 0.00 0.00 175.76 176.01 1pqa s ILE 102 N -1.24 4.04 -0.11 0.00 -1.09 0.23 -1.38 121.20 121.65 1pqa s ILE 102 Ca -0.13 -0.28 -0.03 0.00 -2.23 0.00 0.00 60.65 57.98 1pqa s ILE 102 Cb -0.07 -2.84 -0.03 0.00 -1.58 0.00 0.00 42.46 37.94 1pqa s ILE 102 CO 0.02 0.41 -0.00 -0.76 -1.23 0.00 0.00 174.94 173.38 1pqa s LEU 103 N 1.12 3.52 -0.13 2.97 1.43 0.80 -0.70 118.68 127.69 1pqa s LEU 103 Ca 0.03 0.07 -0.05 0.00 -1.03 0.00 0.00 54.13 53.14 1pqa s LEU 103 Cb -0.14 -1.83 -0.04 0.00 0.03 0.00 0.00 46.19 44.21 1pqa s LEU 103 CO 0.02 0.30 0.06 -0.54 0.23 0.00 0.00 176.35 176.42 1pqa s LYS 104 N -0.42 3.43 -0.18 1.70 -0.14 -0.30 -1.26 119.74 122.57 1pqa s LYS 104 Ca 0.08 -0.31 -0.09 0.00 -1.36 0.00 0.00 55.97 54.29 1pqa s LYS 104 Cb -0.12 -3.04 -0.05 0.00 -1.68 0.00 0.00 37.83 32.94 1pqa s LYS 104 CO 0.02 0.59 0.12 -0.51 -0.76 0.00 0.00 175.35 174.82 1pqa s LEU 105 N -0.53 4.20 0.48 3.17 1.43 -0.44 -0.30 118.68 126.68 1pqa s LEU 105 Ca 0.10 0.27 0.27 0.00 -1.03 0.00 0.00 54.13 53.74 1pqa s LEU 105 Cb -0.12 -2.07 1.07 0.00 0.03 0.00 0.00 46.19 45.10 1pqa s LEU 105 CO 0.02 0.24 1.88 0.28 0.23 0.00 0.00 176.35 179.00 1pqa h SER 106 N 6.26 0.00 -3.30 2.29 0.02 -1.50 -3.42 113.55 113.90 1pqa h SER 106 Ca -0.44 0.00 -0.66 0.00 -0.84 0.00 0.00 61.79 59.85 1pqa h SER 106 Cb 1.17 0.00 -0.30 0.00 0.14 0.00 0.00 62.40 63.41 1pqa h SER 106 CO 0.71 0.14 -0.76 -0.89 -1.14 0.00 0.00 176.83 174.89 1pqa s THR 107 N -3.66 2.98 0.54 -2.27 2.01 -1.26 -4.99 115.64 108.99 1pqa s THR 107 Ca 0.01 -0.63 -0.19 0.00 0.31 0.00 0.00 61.69 61.18 1pqa s THR 107 Cb 0.10 -2.33 -0.06 0.00 0.01 0.00 0.00 72.50 70.22 1pqa s THR 107 CO 0.61 0.46 1.13 -0.44 -0.69 0.00 0.00 174.62 175.69 1pqa s SER 108 N 1.37 5.71 -0.47 3.53 0.01 -1.26 -4.81 113.70 117.79 1pqa s SER 108 Ca 0.05 2.18 0.04 0.00 1.31 0.00 0.00 55.95 59.52 1pqa s SER 108 Cb -0.14 -2.58 0.12 0.00 0.21 0.00 0.00 66.02 63.63 1pqa s SER 108 CO -0.06 -1.22 0.21 -0.63 0.41 0.00 0.00 173.24 171.94 1pqa s ILE 109 N -1.78 2.39 0.40 1.44 1.01 0.54 -5.03 121.20 120.19 1pqa s ILE 109 Ca 0.73 -3.00 -0.25 0.00 0.00 0.00 0.00 60.65 58.12 1pqa s ILE 109 Cb -0.24 -2.69 -0.08 0.00 0.01 0.00 0.00 42.46 39.46 1pqa s ILE 109 CO 0.27 -0.76 1.16 -2.84 0.00 0.00 0.00 174.94 172.77 1pqa s PRO 110 N 0.07 4.04 0.51 2.79 0.02 -1.26 -4.31 135.00 136.85 1pqa s PRO 110 Ca 0.16 1.81 -0.19 0.00 0.02 0.00 0.00 61.00 62.79 1pqa s PRO 110 Cb -0.24 -2.64 -0.07 0.00 0.02 0.00 0.00 34.50 31.56 1pqa s PRO 110 CO -0.02 -0.33 1.04 -1.54 -0.33 0.00 0.00 177.00 175.82 1pqa s SER 111 N -1.19 6.26 0.00 2.53 1.04 -1.26 -4.85 113.70 116.24 1pqa s SER 111 Ca 0.58 1.88 0.00 0.00 0.48 0.00 0.00 55.95 58.88 1pqa s SER 111 Cb -0.30 -2.55 0.00 0.00 0.10 0.00 0.00 66.02 63.27 1pqa s SER 111 CO 0.37 -0.84 0.00 0.61 0.98 0.00 0.00 173.24 174.37 1pqa n GLY 112 N -0.50 4.03 7.00 7.32 0.00 0.79 -4.99 105.19 118.85 1pqa n GLY 112 Ca 0.09 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.18 1pqa n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqa n GLY 113 N -1.47 3.01 0.36 -0.02 0.00 -1.26 -0.63 105.19 105.19 1pqa n GLY 113 Ca 0.00 -0.33 0.02 0.00 0.00 0.00 0.00 46.02 45.70 1pqa n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pqa n ASN 114 N 1.26 0.95 -4.60 1.61 3.02 -1.26 -4.71 115.26 111.52 1pqa n ASN 114 Ca 0.00 -2.04 -0.34 0.00 -0.03 0.00 0.00 54.58 52.16 1pqa n ASN 114 Cb 0.00 -0.21 -0.10 0.00 -0.61 0.00 0.00 39.78 38.85 1pqa n ASN 114 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pqa s ILE 115 N -1.67 4.61 0.35 2.41 1.01 0.20 -4.33 121.20 123.77 1pqa s ILE 115 Ca 0.08 -0.10 -0.01 0.00 0.00 0.00 0.00 60.65 60.62 1pqa s ILE 115 Cb 0.05 -3.07 0.00 0.00 0.01 0.00 0.00 42.46 39.45 1pqa s ILE 115 CO 0.04 0.46 0.46 -0.83 0.00 0.00 0.00 174.94 175.08 1pqa s GLY 116 N 0.41 1.60 0.06 6.18 0.00 -0.94 -0.15 107.32 114.48 1pqa s GLY 116 Ca 0.02 -1.59 0.06 0.00 0.00 0.00 0.00 44.72 43.21 1pqa s GLY 116 CO 0.01 -1.05 -0.09 -0.19 0.00 0.00 0.00 173.10 171.78 1pqa s TYR 117 N -3.03 2.78 0.42 1.90 2.02 -1.26 -3.09 117.35 117.08 1pqa s TYR 117 Ca 0.31 -0.12 -0.25 0.00 -0.37 0.00 0.00 57.07 56.64 1pqa s TYR 117 Cb -0.00 -1.50 -0.08 0.00 -0.40 0.00 0.00 41.96 39.97 1pqa s TYR 117 CO 0.21 0.39 1.26 0.00 -1.57 0.00 0.00 175.55 175.84 1pqa s ALA 118 N -1.11 3.19 -0.28 3.71 0.00 -0.46 -4.84 121.76 121.97 1pqa s ALA 118 Ca 0.19 1.15 -0.14 0.00 0.00 0.00 0.00 51.96 53.16 1pqa s ALA 118 Cb -0.11 -3.46 -0.04 0.00 0.00 0.00 0.00 23.12 19.51 1pqa s ALA 118 CO 0.11 -0.78 0.34 0.50 0.00 0.00 0.00 175.76 175.93 1pqa s ARG 119 N -2.32 3.94 0.25 0.00 3.52 -1.26 -4.92 118.95 118.16 1pqa s ARG 119 Ca 0.58 -0.09 -0.22 0.00 -0.13 0.00 0.00 55.73 55.88 1pqa s ARG 119 Cb -0.36 -3.68 -0.09 0.00 -1.56 0.00 0.00 34.95 29.27 1pqa s ARG 119 CO 0.45 -0.29 0.79 -0.51 -0.81 0.00 0.00 175.30 174.93 1pqa s LEU 120 N 2.01 4.36 0.59 -0.88 1.43 -1.26 -0.26 118.68 124.67 1pqa s LEU 120 Ca 0.13 1.55 -0.20 0.00 -1.03 0.00 0.00 54.13 54.58 1pqa s LEU 120 Cb -0.16 -3.69 -0.03 0.00 0.03 0.00 0.00 46.19 42.34 1pqa s LEU 120 CO 0.10 0.02 1.30 0.00 0.23 0.00 0.00 176.35 178.00 1pqa s ALA 121 N -1.53 2.59 0.46 4.21 0.00 -0.48 -4.82 121.76 122.20 1pqa s ALA 121 Ca 0.45 1.22 -0.24 0.00 0.00 0.00 0.00 51.96 53.39 1pqa s ALA 121 Cb -0.18 -3.54 -0.07 0.00 0.00 0.00 0.00 23.12 19.33 1pqa s ALA 121 CO 0.22 -1.41 1.30 0.00 0.00 0.00 0.00 175.76 175.87 1pqa s ALA 122 N -1.39 3.08 0.25 0.00 0.00 -1.26 -4.55 121.76 117.88 1pqa s ALA 122 Ca 0.77 1.23 -0.31 0.00 0.00 0.00 0.00 51.96 53.65 1pqa s ALA 122 Cb -0.37 -3.50 -0.11 0.00 0.00 0.00 0.00 23.12 19.13 1pqa s ALA 122 CO 0.42 -0.98 1.61 0.45 0.00 0.00 0.00 175.76 177.25 1pqa s SER 123 N -0.90 6.43 0.00 0.00 0.15 -1.26 -1.36 113.70 116.76 1pqa s SER 123 Ca 0.63 2.85 0.00 0.00 0.70 0.00 0.00 55.95 60.13 1pqa s SER 123 Cb -0.37 -2.62 0.00 0.00 -1.71 0.00 0.00 66.02 61.32 1pqa s SER 123 CO 0.46 -0.90 0.00 0.61 1.20 0.00 0.00 173.24 174.62 1pqa n GLY 124 N 2.92 1.46 3.81 9.45 0.00 -0.90 -5.03 105.19 116.91 1pqa n GLY 124 Ca 0.11 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.80 1pqa n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pqa s SER 125 N -3.19 6.91 -0.05 1.61 1.04 -0.46 -4.94 113.70 114.62 1pqa s SER 125 Ca 0.00 1.73 0.02 0.00 0.48 0.00 0.00 55.95 58.18 1pqa s SER 125 Cb 0.00 -2.55 0.01 0.00 0.10 0.00 0.00 66.02 63.59 1pqa s SER 125 CO 0.00 -0.38 -0.11 -0.62 0.98 0.00 0.00 173.24 173.11 1pqa s ASP 126 N -2.11 1.56 0.35 7.02 2.15 -1.26 -4.09 116.67 120.29 1pqa s ASP 126 Ca 0.62 -0.25 -0.28 0.00 0.43 0.00 0.00 52.55 53.06 1pqa s ASP 126 Cb -0.11 -0.64 -0.12 0.00 -0.30 0.00 0.00 42.92 41.76 1pqa s ASP 126 CO 0.15 0.04 1.40 -2.65 -0.17 0.00 0.00 175.17 173.94 1pqa n PRO 127 N 3.67 2.39 -3.16 4.34 -0.02 -1.26 -4.91 135.00 136.06 1pqa n PRO 127 Ca -0.22 0.84 -0.39 0.00 -2.02 0.00 0.00 63.50 61.71 1pqa n PRO 127 Cb 0.52 -2.50 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1pqa n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pqa s VAL 128 N -0.95 5.11 0.20 -1.45 1.01 -1.26 -4.99 120.40 118.06 1pqa s VAL 128 Ca 0.56 1.23 -0.32 0.00 0.00 0.00 0.00 61.98 63.45 1pqa s VAL 128 Cb -0.53 -3.94 -0.15 0.00 0.00 0.00 0.00 36.38 31.76 1pqa s VAL 128 CO 0.61 0.28 1.30 0.00 0.00 0.00 0.00 175.10 177.29 1pqa n ALA 129 N 3.78 0.16 0.00 5.51 0.00 -1.26 -1.47 120.51 127.22 1pqa n ALA 129 Ca -0.04 0.44 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1pqa n ALA 129 Cb 0.51 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.81 1pqa n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pqa n GLY 130 N 2.16 3.19 3.79 0.00 0.00 0.03 -4.93 105.19 109.43 1pqa n GLY 130 Ca 0.14 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.83 1pqa n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pqa s SER 131 N -1.00 5.67 -0.17 1.61 1.04 -0.54 -4.62 113.70 115.68 1pqa s SER 131 Ca 0.00 1.90 -0.21 0.00 0.48 0.00 0.00 55.95 58.12 1pqa s SER 131 Cb 0.00 -2.54 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 1pqa s SER 131 CO 0.00 -1.24 0.62 -0.44 0.98 0.00 0.00 173.24 173.15 1pqa s SER 132 N -2.58 6.72 0.14 7.02 0.01 -1.26 -1.29 113.70 122.46 1pqa s SER 132 Ca 0.65 0.87 0.10 0.00 1.31 0.00 0.00 55.95 58.89 1pqa s SER 132 Cb -0.18 -2.35 -0.04 0.00 0.21 0.00 0.00 66.02 63.66 1pqa s SER 132 CO 0.36 -0.21 -0.20 0.00 0.41 0.00 0.00 173.24 173.59 1pqa s ALA 133 N 1.58 2.61 -0.10 1.44 0.00 0.01 -2.96 121.76 124.34 1pqa s ALA 133 Ca 0.29 -1.45 0.04 0.00 0.00 0.00 0.00 51.96 50.84 1pqa s ALA 133 Cb -0.16 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.43 1pqa s ALA 133 CO 0.11 0.53 -0.23 0.99 0.00 0.00 0.00 175.76 177.17 1pqa s THR 134 N -1.29 1.98 0.08 0.00 2.01 -0.17 -0.39 115.64 117.86 1pqa s THR 134 Ca 0.18 -0.97 0.10 0.00 0.31 0.00 0.00 61.69 61.31 1pqa s THR 134 Cb -0.10 -1.72 -0.03 0.00 0.01 0.00 0.00 72.50 70.66 1pqa s THR 134 CO 0.10 0.54 -0.26 0.54 -0.69 0.00 0.00 174.62 174.85 1pqa s VAL 135 N 0.41 2.13 0.04 3.82 0.11 -0.29 -0.80 120.40 125.82 1pqa s VAL 135 Ca -0.18 -1.52 0.01 0.00 -2.93 0.00 0.00 61.98 57.36 1pqa s VAL 135 Cb -0.18 -1.85 -0.02 0.00 -1.53 0.00 0.00 36.38 32.80 1pqa s VAL 135 CO 0.08 0.23 -0.06 0.00 -3.33 0.00 0.00 175.10 172.02 1pqa s ALA 136 N -0.92 0.41 0.00 1.54 0.00 -1.03 -1.18 121.76 120.58 1pqa s ALA 136 Ca 0.12 -0.72 0.00 0.00 0.00 0.00 0.00 51.96 51.36 1pqa s ALA 136 Cb -0.10 0.09 0.00 0.00 0.00 0.00 0.00 23.12 23.11 1pqa s ALA 136 CO 0.04 -0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.12 1pqa n GLY 137 N 1.45 -1.50 0.91 0.00 0.00 -0.33 -4.26 105.19 101.46 1pqa n GLY 137 Ca -0.23 -1.06 0.09 0.00 0.00 0.00 0.00 46.02 44.82 1pqa n GLY 137 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pqa n TRP 138 N 0.20 0.96 -1.21 1.61 8.01 -1.26 -1.94 117.44 123.81 1pqa n TRP 138 Ca 0.00 -0.87 -0.18 0.00 -1.31 0.00 0.00 57.50 55.14 1pqa n TRP 138 Cb 0.00 -0.31 0.14 0.00 -2.01 0.00 0.00 31.31 29.13 1pqa n TRP 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pqa n GLY 139 N -0.46 -2.01 3.67 6.99 0.00 -1.25 -3.77 105.19 108.36 1pqa n GLY 139 Ca 0.21 -1.59 -0.40 0.00 0.00 0.00 0.00 46.02 44.25 1pqa n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqa n ALA 140 N -3.85 0.85 1.22 4.61 0.00 0.99 -2.68 120.51 121.65 1pqa n ALA 140 Ca -0.13 0.16 0.13 0.00 0.00 0.00 0.00 53.44 53.60 1pqa n ALA 140 Cb 0.36 -2.21 0.28 0.00 0.00 0.00 0.00 19.45 17.89 1pqa n ALA 140 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1pqa n THR 141 N -0.83 0.00 -3.77 0.00 -2.24 -1.25 -0.70 114.28 105.49 1pqa n THR 141 Ca 0.10 -0.31 -0.13 0.00 -2.27 0.00 0.00 64.05 61.44 1pqa n THR 141 Cb 0.42 0.92 -0.09 0.00 -2.10 0.00 0.00 70.33 69.49 1pqa n THR 141 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1pqa s SER 142 N -2.16 -0.18 0.09 3.42 0.15 -1.26 -4.40 113.70 109.36 1pqa s SER 142 Ca 0.29 0.10 -0.36 0.00 0.70 0.00 0.00 55.95 56.68 1pqa s SER 142 Cb 0.20 0.33 -0.16 0.00 -1.71 0.00 0.00 66.02 64.68 1pqa s SER 142 CO 0.39 -0.42 1.44 1.21 1.20 0.00 0.00 173.24 177.07 1pqa n GLU 143 N 1.41 1.48 -0.98 5.44 2.13 -1.26 -1.13 120.64 127.72 1pqa n GLU 143 Ca -0.21 0.53 0.00 0.00 0.66 0.00 0.00 57.16 58.14 1pqa n GLU 143 Cb 0.56 -2.22 0.00 0.00 0.27 0.00 0.00 31.44 30.05 1pqa n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pqa n GLY 144 N 2.90 0.37 3.76 8.31 0.00 -1.26 -5.00 105.19 114.27 1pqa n GLY 144 Ca 0.18 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.85 1pqa n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pqa s GLY 145 N -2.00 2.58 0.00 -0.02 0.00 -0.29 -5.00 107.32 102.59 1pqa s GLY 145 Ca 0.00 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.60 1pqa s GLY 145 CO 0.00 1.26 0.00 -1.14 0.00 0.00 0.00 173.10 173.22 1pqa n SER 146 N -1.78 0.00 0.00 1.64 3.41 -1.26 -4.92 113.62 110.70 1pqa n SER 146 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.74 1pqa n SER 146 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1pqa n SER 146 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34 1pqa n SER 147 N 0.00 0.00 -3.57 4.04 3.41 -1.26 -5.11 113.62 111.13 1pqa n SER 147 Ca 0.00 0.00 -0.29 0.00 -0.26 0.00 0.00 58.87 58.32 1pqa n SER 147 Cb 0.00 0.00 -0.14 0.00 -0.26 0.00 0.00 64.21 63.81 1pqa n SER 147 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1pqa s THR 148 N -2.00 0.21 0.15 6.66 -4.23 -1.26 -4.48 115.64 110.69 1pqa s THR 148 Ca 0.00 -1.13 -0.34 0.00 -1.18 0.00 0.00 61.69 59.04 1pqa s THR 148 Cb 0.00 -1.18 -0.15 0.00 1.34 0.00 0.00 72.50 72.51 1pqa s THR 148 CO 0.00 -0.77 1.34 -2.65 -0.54 0.00 0.00 174.62 171.99 1pqa n PRO 149 N 4.88 1.48 0.00 3.99 -0.02 -1.25 -4.90 135.00 139.19 1pqa n PRO 149 Ca -0.01 0.53 -0.17 0.00 -2.02 0.00 0.00 63.50 61.82 1pqa n PRO 149 Cb 0.41 -2.15 -0.11 0.00 -0.02 0.00 0.00 33.50 31.63 1pqa n PRO 149 CO 0.00 0.00 0.00 0.28 1.98 0.00 0.00 175.50 177.76 1pqa h VAL 150 N 3.12 1.41 -2.83 -1.45 2.07 -1.94 -3.46 116.25 113.16 1pqa h VAL 150 Ca -0.45 -2.06 -0.64 0.00 0.82 0.00 0.00 66.70 64.37 1pqa h VAL 150 Cb 1.31 2.53 -0.06 0.00 -1.52 0.00 0.00 31.29 33.55 1pqa h VAL 150 CO 0.77 0.61 -0.39 0.20 0.02 0.00 0.00 177.57 178.78 1pqa s ASN 151 N -6.79 6.51 0.31 0.57 0.01 -1.26 -1.41 114.94 112.89 1pqa s ASN 151 Ca -0.13 0.60 -0.30 0.00 -0.71 0.00 0.00 52.86 52.32 1pqa s ASN 151 Cb 0.04 -2.11 -0.12 0.00 0.41 0.00 0.00 41.25 39.47 1pqa s ASN 151 CO 0.83 0.32 1.54 -0.11 -1.51 0.00 0.00 177.10 178.17 1pqa n LEU 152 N 1.53 4.28 -4.64 0.60 7.94 -0.04 -4.92 117.00 121.76 1pqa n LEU 152 Ca -0.15 1.17 -0.23 0.00 -1.11 0.00 0.00 56.01 55.69 1pqa n LEU 152 Cb 0.53 -1.58 -0.07 0.00 0.53 0.00 0.00 43.42 42.83 1pqa n LEU 152 CO 0.37 0.06 -0.33 -0.76 -1.11 0.00 0.00 177.39 175.62 1pqa s LEU 153 N -0.78 3.13 0.08 -1.96 1.43 -0.82 -1.26 118.68 118.51 1pqa s LEU 153 Ca 0.62 -0.72 -0.05 0.00 -1.03 0.00 0.00 54.13 52.95 1pqa s LEU 153 Cb -0.51 -1.64 -0.02 0.00 0.03 0.00 0.00 46.19 44.05 1pqa s LEU 153 CO 0.53 -0.04 0.10 -1.59 0.23 0.00 0.00 176.35 175.58 1pqa s LYS 154 N -3.68 0.79 -0.06 1.70 -2.85 0.19 -1.19 119.74 114.64 1pqa s LYS 154 Ca 0.32 -1.12 -0.18 0.00 -1.00 0.00 0.00 55.97 54.00 1pqa s LYS 154 Cb -0.05 0.29 0.04 0.00 -2.06 0.00 0.00 37.83 36.04 1pqa s LYS 154 CO 0.20 -0.22 0.41 0.54 0.10 0.00 0.00 175.35 176.38 1pqa s VAL 155 N -3.91 0.03 -0.16 1.79 0.11 -0.33 -0.77 120.40 117.17 1pqa s VAL 155 Ca 0.08 -0.25 -0.02 0.00 -2.93 0.00 0.00 61.98 58.86 1pqa s VAL 155 Cb 0.06 -0.68 -0.02 0.00 -1.53 0.00 0.00 36.38 34.21 1pqa s VAL 155 CO -0.09 -0.14 -0.08 -0.89 -3.33 0.00 0.00 175.10 170.58 1pqa s THR 156 N -0.83 3.45 0.04 5.04 2.01 -1.26 -1.13 115.64 122.95 1pqa s THR 156 Ca -0.09 -0.51 0.01 0.00 0.31 0.00 0.00 61.69 61.42 1pqa s THR 156 Cb -0.04 -2.50 -0.02 0.00 0.01 0.00 0.00 72.50 69.95 1pqa s THR 156 CO 0.04 0.49 -0.06 0.68 -0.69 0.00 0.00 174.62 175.08 1pqa s VAL 157 N 0.59 0.41 0.45 3.82 -7.23 0.48 -4.96 120.40 113.96 1pqa s VAL 157 Ca -0.05 -1.12 -0.23 0.00 -1.81 0.00 0.00 61.98 58.77 1pqa s VAL 157 Cb -0.15 -0.62 -0.08 0.00 0.56 0.00 0.00 36.38 36.09 1pqa s VAL 157 CO 0.03 -0.48 1.09 -2.16 -0.31 0.00 0.00 175.10 173.26 1pqa s PRO 158 N -1.81 3.91 0.30 4.82 0.04 -1.26 -0.81 135.00 140.19 1pqa s PRO 158 Ca -0.09 1.56 -0.29 0.00 0.04 0.00 0.00 61.00 62.21 1pqa s PRO 158 Cb -0.08 -2.37 -0.11 0.00 0.04 0.00 0.00 34.50 31.99 1pqa s PRO 158 CO -0.01 -0.38 1.46 0.42 0.04 0.00 0.00 177.00 178.54 1pqa s ILE 159 N -1.70 2.40 -0.18 0.56 -1.09 -0.41 -1.36 121.20 119.42 1pqa s ILE 159 Ca 0.63 0.36 -0.08 0.00 -2.23 0.00 0.00 60.65 59.33 1pqa s ILE 159 Cb -0.23 -3.23 -0.04 0.00 -1.58 0.00 0.00 42.46 37.38 1pqa s ILE 159 CO 0.28 0.07 0.07 -0.69 -1.23 0.00 0.00 174.94 173.44 1pqa s VAL 160 N -0.41 4.90 0.48 2.92 1.01 -0.21 -0.79 120.40 128.30 1pqa s VAL 160 Ca 0.57 0.01 -0.23 0.00 0.00 0.00 0.00 61.98 62.33 1pqa s VAL 160 Cb -0.44 -3.21 -0.08 0.00 0.00 0.00 0.00 36.38 32.65 1pqa s VAL 160 CO 0.50 0.46 1.15 -1.54 0.00 0.00 0.00 175.10 175.67 1pqa n SER 161 N 3.47 1.83 0.08 3.32 3.41 -1.26 -4.16 113.62 120.32 1pqa n SER 161 Ca -0.17 1.00 0.05 0.00 -0.26 0.00 0.00 58.87 59.49 1pqa n SER 161 Cb 0.52 -1.45 0.47 0.00 -0.26 0.00 0.00 64.21 63.49 1pqa n SER 161 CO 0.00 0.00 0.00 -0.09 -0.16 0.00 0.00 175.04 174.79 1pqa h ARG 162 N 1.48 0.36 -0.45 4.33 2.43 -1.95 -0.84 114.38 119.74 1pqa h ARG 162 Ca -0.48 -0.03 -0.03 0.00 -0.81 0.00 0.00 59.98 58.64 1pqa h ARG 162 Cb 1.32 -0.07 -0.02 0.00 -0.42 0.00 0.00 29.97 30.78 1pqa h ARG 162 CO 0.57 0.28 0.18 0.00 -1.51 0.00 0.00 179.97 179.49 1pqa h ALA 163 N 1.78 0.59 -0.59 2.80 0.00 -1.99 0.39 119.26 122.24 1pqa h ALA 163 Ca 0.09 -0.15 -0.08 0.00 0.00 0.00 0.00 54.91 54.78 1pqa h ALA 163 Cb 0.04 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.63 1pqa h ALA 163 CO -0.01 0.19 0.07 1.15 0.00 0.00 0.00 179.25 180.65 1pqa h THR 164 N 0.59 1.25 -0.69 0.00 2.02 -1.71 -1.36 112.91 113.01 1pqa h THR 164 Ca 0.15 -1.02 -0.05 0.00 0.77 0.00 0.00 66.41 66.26 1pqa h THR 164 Cb 0.19 0.72 -0.03 0.00 -1.74 0.00 0.00 68.15 67.29 1pqa h THR 164 CO -0.01 0.37 0.23 0.00 0.37 0.00 0.00 175.52 176.48 1pqa h ARG 166 N 1.02 0.26 -0.66 0.00 3.08 0.10 -0.57 114.38 117.61 1pqa h ARG 166 Ca 0.23 -0.08 -0.03 0.00 0.07 0.00 0.00 59.98 60.16 1pqa h ARG 166 Cb 0.27 -0.02 -0.03 0.00 0.08 0.00 0.00 29.97 30.26 1pqa h ARG 166 CO -0.01 0.49 0.28 0.00 -1.07 0.00 0.00 179.97 179.65 1pqa h ALA 167 N 1.53 1.26 -0.04 0.04 0.00 -0.05 0.29 119.26 122.28 1pqa h ALA 167 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.68 1pqa h ALA 167 Cb 0.55 -0.26 0.01 0.00 0.00 0.00 0.00 17.79 18.09 1pqa h ALA 167 CO 0.04 0.55 -0.41 1.96 0.00 0.00 0.00 179.25 181.39 1pqa h GLN 168 N 0.94 0.34 -0.00 0.00 4.20 -0.67 -3.38 115.11 116.54 1pqa h GLN 168 Ca 0.22 -0.32 0.00 0.00 0.06 0.00 0.00 58.65 58.61 1pqa h GLN 168 Cb 0.15 0.08 0.00 0.00 0.30 0.00 0.00 27.48 28.01 1pqa h GLN 168 CO -0.02 0.99 -0.50 0.66 -0.67 0.00 0.00 178.83 179.28 1pqa n TYR 169 N -4.36 0.00 0.00 2.96 4.01 -0.27 -4.99 117.16 114.51 1pqa n TYR 169 Ca -0.09 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.65 1pqa n TYR 169 Cb 0.56 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.59 1pqa n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pqa n GLY 170 N 1.25 2.44 0.23 2.72 0.00 0.10 -4.53 105.19 107.39 1pqa n GLY 170 Ca 0.02 -1.61 -0.08 0.00 0.00 0.00 0.00 46.02 44.35 1pqa n GLY 170 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pqa h THR 171 N 0.00 1.21 0.00 2.61 2.02 -1.92 -2.18 112.91 114.65 1pqa h THR 171 Ca 0.00 -0.67 -0.01 0.00 0.77 0.00 0.00 66.41 66.50 1pqa h THR 171 Cb 0.00 0.75 -0.00 0.00 -1.74 0.00 0.00 68.15 67.16 1pqa h THR 171 CO 0.00 0.25 -0.04 0.28 0.37 0.00 0.00 175.52 176.38 1pqa h SER 172 N 0.64 0.00 1.67 4.18 0.02 -1.92 -3.06 113.55 115.08 1pqa h SER 172 Ca 0.16 0.00 -0.02 0.00 -0.84 0.00 0.00 61.79 61.09 1pqa h SER 172 Cb 0.21 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.75 1pqa h SER 172 CO -0.01 0.04 -0.10 0.00 -1.14 0.00 0.00 176.83 175.61 1pqa h ALA 173 N 1.96 0.95 -3.18 3.77 0.00 -1.63 -3.42 119.26 117.71 1pqa h ALA 173 Ca -0.00 -0.09 -0.69 0.00 0.00 0.00 0.00 54.91 54.13 1pqa h ALA 173 Cb 0.09 -0.02 -0.29 0.00 0.00 0.00 0.00 17.79 17.57 1pqa h ALA 173 CO 0.00 0.13 -0.64 0.42 0.00 0.00 0.00 179.25 179.16 1pqa s ILE 174 N -3.28 3.60 0.61 0.00 -1.09 -1.16 -4.99 121.20 114.89 1pqa s ILE 174 Ca 0.05 -1.03 0.08 0.00 -2.23 0.00 0.00 60.65 57.52 1pqa s ILE 174 Cb 0.06 -2.96 0.10 0.00 -1.58 0.00 0.00 42.46 38.09 1pqa s ILE 174 CO 0.66 -0.04 0.84 0.35 -1.23 0.00 0.00 174.94 175.51 1pqa n THR 175 N 4.78 0.00 1.09 2.92 -2.24 -1.26 -4.95 114.28 114.62 1pqa n THR 175 Ca -0.14 -1.90 0.14 0.00 -2.27 0.00 0.00 64.05 59.89 1pqa n THR 175 Cb 0.46 -0.57 0.65 0.00 -2.10 0.00 0.00 70.33 68.76 1pqa n THR 175 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1pqa n ASN 176 N -2.41 0.00 0.00 3.42 2.85 -1.26 -2.48 115.26 115.38 1pqa n ASN 176 Ca 0.17 0.34 0.16 0.00 -0.11 0.00 0.00 54.58 55.13 1pqa n ASN 176 Cb 0.60 -0.44 0.92 0.00 1.24 0.00 0.00 39.78 42.10 1pqa n ASN 176 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1pqa n GLN 177 N -1.44 0.97 -4.36 1.20 3.00 -1.26 -4.79 117.38 110.69 1pqa n GLN 177 Ca 0.09 0.00 -0.24 0.00 -0.01 0.00 0.00 57.00 56.84 1pqa n GLN 177 Cb 0.31 -1.50 -0.11 0.00 0.00 0.00 0.00 30.24 28.94 1pqa n GLN 177 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1pqa s MET 178 N -2.00 1.36 0.15 -1.09 -1.94 -1.03 -1.25 119.30 113.49 1pqa s MET 178 Ca 0.47 -1.44 -0.03 0.00 -1.71 0.00 0.00 55.69 52.97 1pqa s MET 178 Cb 0.21 -1.52 -0.03 0.00 2.01 0.00 0.00 34.83 35.50 1pqa s MET 178 CO 0.36 0.32 0.12 -0.59 -0.01 0.00 0.00 175.02 175.22 1pqa s PHE 179 N -1.89 0.82 0.18 -0.03 -0.12 -0.25 -4.76 117.98 111.93 1pqa s PHE 179 Ca 0.17 -1.16 0.10 0.00 -0.05 0.00 0.00 56.93 55.99 1pqa s PHE 179 Cb -0.07 -0.40 -0.04 0.00 -0.63 0.00 0.00 43.02 41.88 1pqa s PHE 179 CO 0.08 -0.59 -0.21 0.00 -0.05 0.00 0.00 175.22 174.45 1pqa s ALA 181 N -1.87 -1.45 0.00 0.00 0.00 -0.28 -1.05 121.76 117.12 1pqa s ALA 181 Ca 0.18 1.32 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1pqa s ALA 181 Cb -0.07 -0.47 0.00 0.00 0.00 0.00 0.00 23.12 22.58 1pqa s ALA 181 CO 0.08 -0.31 0.00 0.41 0.00 0.00 0.00 175.76 175.95 1pqa n GLY 182 N 1.89 -1.71 3.52 0.00 0.00 -0.46 -0.85 105.19 107.58 1pqa n GLY 182 Ca -0.17 -1.49 -0.33 0.00 0.00 0.00 0.00 46.02 44.04 1pqa n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pqa s VAL 183 N -1.87 3.29 0.26 1.61 -7.23 -1.26 -4.16 120.40 111.04 1pqa s VAL 183 Ca 0.00 -0.67 -0.05 0.00 -1.81 0.00 0.00 61.98 59.45 1pqa s VAL 183 Cb 0.00 -2.32 0.26 0.00 0.56 0.00 0.00 36.38 34.88 1pqa s VAL 183 CO 0.00 0.57 1.93 0.77 -0.31 0.00 0.00 175.10 178.05 1pqa h SER 184 N 5.21 1.12 -0.10 4.85 4.64 -1.97 0.75 113.55 128.04 1pqa h SER 184 Ca -0.47 -0.02 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1pqa h SER 184 Cb 1.16 -0.27 0.00 0.00 -0.31 0.00 0.00 62.40 62.98 1pqa h SER 184 CO 0.51 0.80 0.00 -1.54 -0.87 0.00 0.00 176.83 175.73 1pqa n SER 185 N -4.40 1.35 -0.27 4.97 3.41 -1.26 0.36 113.62 117.78 1pqa n SER 185 Ca 0.12 -2.09 0.03 0.00 -0.26 0.00 0.00 58.87 56.67 1pqa n SER 185 Cb 0.04 -0.36 -0.01 0.00 -0.26 0.00 0.00 64.21 63.62 1pqa n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pqa n GLY 186 N 0.32 -2.14 0.81 5.00 0.00 0.26 -4.42 105.19 105.02 1pqa n GLY 186 Ca 0.04 -1.44 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1pqa n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqa n GLY 187 N -1.34 0.71 2.89 -0.02 0.00 0.12 -4.75 105.19 102.80 1pqa n GLY 187 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.78 1pqa n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqa s LYS 188 N -0.73 1.18 -0.04 1.61 1.02 -1.26 -3.44 119.74 118.09 1pqa s LYS 188 Ca 0.00 -0.16 -0.31 0.00 0.02 0.00 0.00 55.97 55.52 1pqa s LYS 188 Cb 0.00 -1.23 0.12 0.00 -0.52 0.00 0.00 37.83 36.20 1pqa s LYS 188 CO 0.00 -0.18 1.27 0.34 -0.92 0.00 0.00 175.35 175.86 1pqa s ASP 189 N 1.39 -0.07 0.62 2.83 -1.08 -0.82 -4.42 116.67 115.12 1pqa s ASP 189 Ca -0.02 -0.12 -0.09 0.00 -0.52 0.00 0.00 52.55 51.79 1pqa s ASP 189 Cb -0.13 0.17 -0.01 0.00 -1.46 0.00 0.00 42.92 41.49 1pqa s ASP 189 CO -0.03 -0.31 0.99 -0.94 0.52 0.00 0.00 175.17 175.39 1pqa s SER 190 N -2.86 5.79 0.34 -0.34 1.04 -1.26 -0.33 113.70 116.07 1pqa s SER 190 Ca 0.13 1.06 -0.07 0.00 0.48 0.00 0.00 55.95 57.56 1pqa s SER 190 Cb 0.04 -2.05 0.03 0.00 0.10 0.00 0.00 66.02 64.14 1pqa s SER 190 CO -0.04 -1.05 0.56 0.00 0.98 0.00 0.00 173.24 173.69 1pqa n GLN 192 N -0.51 2.00 0.00 0.00 -0.06 -1.26 -0.57 117.38 116.98 1pqa n GLN 192 Ca -0.03 0.72 0.00 0.00 -2.00 0.00 0.00 57.00 55.69 1pqa n GLN 192 Cb 0.53 -2.49 0.00 0.00 -4.06 0.00 0.00 30.24 24.23 1pqa n GLN 192 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1pqa n GLY 193 N 3.48 0.56 3.44 1.69 0.00 -1.26 -0.01 105.19 113.09 1pqa n GLY 193 Ca 0.18 0.00 -0.44 0.00 0.00 0.00 0.00 46.02 45.77 1pqa n GLY 193 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1pqa s ASP 194 N -2.29 6.22 0.00 1.61 1.01 0.26 -3.85 116.67 119.63 1pqa s ASP 194 Ca 0.00 -0.99 0.00 0.00 0.71 0.00 0.00 52.55 52.27 1pqa s ASP 194 Cb 0.00 -2.35 0.00 0.00 1.01 0.00 0.00 42.92 41.58 1pqa s ASP 194 CO 0.00 -1.17 0.00 0.61 0.21 0.00 0.00 175.17 174.82 1pqa n GLY 196 N 5.24 0.00 3.81 0.21 0.00 0.77 -4.23 105.19 110.99 1pqa n GLY 196 Ca -0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.68 1pqa n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pqa s GLY 197 N -0.11 1.60 0.32 -0.02 0.00 -1.14 -3.59 107.32 104.38 1pqa s GLY 197 Ca 0.00 -0.64 -0.18 0.00 0.00 0.00 0.00 44.72 43.90 1pqa s GLY 197 CO 0.00 -0.05 0.79 2.56 0.00 0.00 0.00 173.10 176.40 1pqa s PRO 198 N -5.40 4.16 -0.09 2.90 0.04 -1.26 -0.91 135.00 134.45 1pqa s PRO 198 Ca 0.65 0.87 0.04 0.00 0.04 0.00 0.00 61.00 62.59 1pqa s PRO 198 Cb -0.13 -2.52 0.00 0.00 0.04 0.00 0.00 34.50 31.89 1pqa s PRO 198 CO 0.53 0.19 -0.20 -1.50 0.04 0.00 0.00 177.00 176.05 1pqa s ILE 199 N -1.88 1.76 0.25 0.56 2.07 -0.70 -2.45 121.20 120.81 1pqa s ILE 199 Ca 0.53 -0.85 0.12 0.00 -1.41 0.00 0.00 60.65 59.04 1pqa s ILE 199 Cb -0.12 -1.54 -0.05 0.00 0.13 0.00 0.00 42.46 40.88 1pqa s ILE 199 CO 0.18 0.49 -0.22 0.68 -1.91 0.00 0.00 174.94 174.17 1pqa s VAL 200 N 0.42 2.43 0.74 4.00 -7.23 0.02 -1.37 120.40 119.41 1pqa s VAL 200 Ca -0.17 -2.26 -0.10 0.00 -1.81 0.00 0.00 61.98 57.64 1pqa s VAL 200 Cb -0.17 -2.23 0.16 0.00 0.56 0.00 0.00 36.38 34.70 1pqa s VAL 200 CO 0.07 -0.29 1.01 -0.90 -0.31 0.00 0.00 175.10 174.69 1pqa n ASP 201 N -0.26 0.39 0.19 4.85 5.68 -0.28 -1.00 116.55 126.11 1pqa n ASP 201 Ca -0.08 -1.56 0.14 0.00 -0.50 0.00 0.00 54.79 52.79 1pqa n ASP 201 Cb 0.58 -0.74 0.65 0.00 -1.14 0.00 0.00 41.12 40.47 1pqa n ASP 201 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1pqa h SER 202 N -1.15 0.00 -0.24 -1.12 4.64 -1.88 -0.42 113.55 113.37 1pqa h SER 202 Ca -0.33 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.99 1pqa h SER 202 Cb 0.98 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.07 1pqa h SER 202 CO 0.26 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 175.02 1pqa n SER 203 N -2.46 2.72 0.00 4.97 7.64 -1.26 -4.95 113.62 120.27 1pqa n SER 203 Ca -0.00 -1.88 0.00 0.00 1.01 0.00 0.00 58.87 58.00 1pqa n SER 203 Cb 0.15 -0.15 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 1pqa n SER 203 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pqa n ASN 204 N 1.03 -2.62 -4.71 6.43 3.02 -0.17 -5.04 115.26 113.20 1pqa n ASN 204 Ca 0.18 0.00 -0.42 0.00 -0.03 0.00 0.00 54.58 54.30 1pqa n ASN 204 Cb 0.50 -0.44 -0.03 0.00 -0.61 0.00 0.00 39.78 39.21 1pqa n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pqa s THR 205 N -2.00 3.30 -0.31 3.41 2.01 -1.26 -4.75 115.64 116.04 1pqa s THR 205 Ca 0.00 0.88 -0.29 0.00 0.31 0.00 0.00 61.69 62.59 1pqa s THR 205 Cb 0.00 -3.56 -0.01 0.00 0.01 0.00 0.00 72.50 68.94 1pqa s THR 205 CO 0.00 0.05 1.44 -0.22 -0.69 0.00 0.00 174.62 175.20 1pqa s LEU 206 N 1.51 3.79 -0.01 4.42 2.96 0.64 -1.12 118.68 130.86 1pqa s LEU 206 Ca 0.66 1.22 0.16 0.00 -0.22 0.00 0.00 54.13 55.95 1pqa s LEU 206 Cb -0.37 -3.54 -0.22 0.00 0.50 0.00 0.00 46.19 42.57 1pqa s LEU 206 CO 0.30 -1.26 0.47 2.30 -1.32 0.00 0.00 176.35 176.84 1pqa n ILE 207 N 6.56 0.00 -3.85 6.68 -5.35 -0.47 -1.38 119.36 121.54 1pqa n ILE 207 Ca 0.17 -0.28 -0.02 0.00 -0.27 0.00 0.00 62.75 62.35 1pqa n ILE 207 Cb 0.47 0.46 0.01 0.00 -1.74 0.00 0.00 39.64 38.83 1pqa n ILE 207 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pqa s GLY 208 N -3.34 -0.04 -0.02 3.28 0.00 -0.98 -1.56 107.32 104.66 1pqa s GLY 208 Ca -0.01 -0.09 0.06 0.00 0.00 0.00 0.00 44.72 44.67 1pqa s GLY 208 CO 0.66 2.36 -0.21 0.00 0.00 0.00 0.00 173.10 175.91 1pqa s ALA 209 N -2.34 1.75 0.15 3.20 0.00 -0.82 -1.72 121.76 121.98 1pqa s ALA 209 Ca 0.21 -0.90 -0.34 0.00 0.00 0.00 0.00 51.96 50.93 1pqa s ALA 209 Cb -0.01 -0.46 -0.14 0.00 0.00 0.00 0.00 23.12 22.51 1pqa s ALA 209 CO 0.03 0.42 1.54 0.28 0.00 0.00 0.00 175.76 178.02 1pqa n VAL 210 N 2.62 0.01 0.03 0.00 0.31 -0.09 -1.05 118.33 120.17 1pqa n VAL 210 Ca -0.16 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.17 1pqa n VAL 210 Cb 0.53 -1.43 0.00 0.00 -0.91 0.00 0.00 33.84 32.03 1pqa n VAL 210 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pqa n SER 211 N 3.26 0.33 -3.39 4.52 2.88 -0.92 -0.16 113.62 120.14 1pqa n SER 211 Ca 0.17 0.11 -0.07 0.00 -1.33 0.00 0.00 58.87 57.74 1pqa n SER 211 Cb 0.27 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.68 1pqa n SER 211 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1pqa s TRP 212 N -1.43 -0.02 0.00 0.66 1.48 -0.63 -4.91 118.94 114.08 1pqa s TRP 212 Ca 0.00 -0.52 0.00 0.00 -1.06 0.00 0.00 56.10 54.52 1pqa s TRP 212 Cb 0.00 0.77 0.00 0.00 -1.16 0.00 0.00 33.47 33.08 1pqa s TRP 212 CO 0.00 -1.34 0.00 0.41 -4.06 0.00 0.00 176.95 171.96 1pqa n GLY 213 N -0.51 0.91 3.54 3.67 0.00 -1.26 -0.61 105.19 110.93 1pqa n GLY 213 Ca -0.06 -0.76 -0.41 0.00 0.00 0.00 0.00 46.02 44.78 1pqa n GLY 213 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pqa s ASN 214 N 0.00 6.40 0.88 1.61 -0.87 -1.26 -4.87 114.94 116.83 1pqa s ASN 214 Ca 0.00 -1.19 0.00 0.00 -1.57 0.00 0.00 52.86 50.10 1pqa s ASN 214 Cb 0.00 -2.55 0.00 0.00 -0.02 0.00 0.00 41.25 38.68 1pqa s ASN 214 CO 0.00 -1.57 0.00 0.61 -2.57 0.00 0.00 177.10 173.57 1pqa n GLY 215 N 6.29 1.32 2.86 0.66 0.00 -1.26 -4.62 105.19 110.43 1pqa n GLY 215 Ca 0.22 -0.60 -0.15 0.00 0.00 0.00 0.00 46.02 45.49 1pqa n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqa n ALA 217 N 4.46 -0.26 -1.77 0.00 0.00 -1.26 -4.52 120.51 117.16 1pqa n ALA 217 Ca -0.22 0.20 -0.38 0.00 0.00 0.00 0.00 53.44 53.04 1pqa n ALA 217 Cb 0.51 -1.55 -0.05 0.00 0.00 0.00 0.00 19.45 18.35 1pqa n ALA 217 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pqa s ARG 218 N -3.52 4.59 0.46 0.00 0.52 -1.26 -0.70 118.95 119.05 1pqa s ARG 218 Ca 0.00 1.49 -0.24 0.00 -0.52 0.00 0.00 55.73 56.46 1pqa s ARG 218 Cb 0.00 -2.95 -0.08 0.00 0.52 0.00 0.00 34.95 32.44 1pqa s ARG 218 CO 0.00 0.26 1.35 -2.30 0.02 0.00 0.00 175.30 174.62 1pqa n PRO 219 N 0.81 1.99 -1.13 3.54 -0.02 -1.26 -2.45 135.00 136.47 1pqa n PRO 219 Ca 0.01 0.71 -0.05 0.00 -2.02 0.00 0.00 63.50 62.15 1pqa n PRO 219 Cb 0.48 -2.52 -0.02 0.00 -0.02 0.00 0.00 33.50 31.43 1pqa n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pqa n ASN 220 N -0.22 -5.74 -3.82 2.55 3.02 0.16 -4.81 115.26 106.40 1pqa n ASN 220 Ca 0.07 0.11 -0.30 0.00 -0.03 0.00 0.00 54.58 54.43 1pqa n ASN 220 Cb 0.42 -3.64 -0.15 0.00 -0.61 0.00 0.00 39.78 35.79 1pqa n ASN 220 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1pqa s TYR 221 N -1.44 2.41 0.68 3.10 2.02 -1.03 -4.79 117.35 118.29 1pqa s TYR 221 Ca 0.00 -2.28 -0.16 0.00 -0.37 0.00 0.00 57.07 54.26 1pqa s TYR 221 Cb 0.00 -2.14 0.01 0.00 -0.40 0.00 0.00 41.96 39.43 1pqa s TYR 221 CO 0.00 -0.88 1.16 -1.12 -1.57 0.00 0.00 175.55 173.14 1pqa s SER 222 N 1.11 4.77 0.32 2.29 0.01 -1.26 -4.25 113.70 116.68 1pqa s SER 222 Ca 0.12 2.20 -0.29 0.00 1.31 0.00 0.00 55.95 59.29 1pqa s SER 222 Cb -0.19 -2.57 -0.10 0.00 0.21 0.00 0.00 66.02 63.36 1pqa s SER 222 CO -0.15 -1.87 1.37 -0.83 0.41 0.00 0.00 173.24 172.18 1pqa s GLY 223 N -2.21 2.84 -0.10 3.44 0.00 -0.03 -4.70 107.32 106.57 1pqa s GLY 223 Ca 0.71 1.34 0.01 0.00 0.00 0.00 0.00 44.72 46.78 1pqa s GLY 223 CO 0.41 2.06 -0.11 0.14 0.00 0.00 0.00 173.10 175.61 1pqa s VAL 224 N -0.89 3.29 -0.02 1.40 1.01 0.22 -1.12 120.40 124.29 1pqa s VAL 224 Ca 0.52 -0.61 0.06 0.00 0.00 0.00 0.00 61.98 61.95 1pqa s VAL 224 Cb -0.42 -2.36 -0.01 0.00 0.00 0.00 0.00 36.38 33.59 1pqa s VAL 224 CO 0.53 0.55 -0.19 -0.31 0.00 0.00 0.00 175.10 175.69 1pqa s TYR 225 N -0.20 1.68 0.11 5.22 1.51 0.27 -1.60 117.35 124.34 1pqa s TYR 225 Ca 0.01 -0.32 -0.31 0.00 -1.01 0.00 0.00 57.07 55.44 1pqa s TYR 225 Cb -0.13 -1.08 -0.07 0.00 -0.11 0.00 0.00 41.96 40.56 1pqa s TYR 225 CO 0.03 -0.03 1.31 0.00 -1.11 0.00 0.00 175.55 175.75 1pqa s ALA 226 N -0.43 3.51 -0.40 3.71 0.00 -0.22 -1.09 121.76 126.85 1pqa s ALA 226 Ca 0.07 1.02 -0.22 0.00 0.00 0.00 0.00 51.96 52.83 1pqa s ALA 226 Cb -0.07 -3.49 0.01 0.00 0.00 0.00 0.00 23.12 19.57 1pqa s ALA 226 CO -0.01 -0.53 0.72 0.45 0.00 0.00 0.00 175.76 176.39 1pqa s SER 227 N 0.94 6.44 0.20 0.00 0.15 -0.38 -1.95 113.70 119.10 1pqa s SER 227 Ca 0.61 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 57.22 1pqa s SER 227 Cb -0.34 -2.36 0.20 0.00 -1.71 0.00 0.00 66.02 61.80 1pqa s SER 227 CO 0.31 -0.75 1.81 0.58 1.20 0.00 0.00 173.24 176.40 1pqa h VAL 228 N 5.81 1.00 -0.51 4.45 2.07 -1.61 -2.03 116.25 125.44 1pqa h VAL 228 Ca -0.25 -0.23 -0.01 0.00 0.82 0.00 0.00 66.70 67.02 1pqa h VAL 228 Cb 1.10 0.26 -0.03 0.00 -1.52 0.00 0.00 31.29 31.10 1pqa h VAL 228 CO 0.90 0.12 0.27 1.23 0.02 0.00 0.00 177.57 180.11 1pqa h GLY 229 N 0.68 0.75 1.75 2.17 0.00 -1.74 -1.89 103.07 104.78 1pqa h GLY 229 Ca 0.27 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.28 1pqa h GLY 229 CO -0.15 0.31 -0.23 0.00 0.00 0.00 0.00 176.54 176.47 1pqa h ALA 230 N 1.59 0.88 -0.40 3.60 0.00 -1.56 -2.38 119.26 120.98 1pqa h ALA 230 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.09 1pqa h ALA 230 Cb 0.04 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1pqa h ALA 230 CO -0.03 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.50 1pqa n LEU 231 N -2.78 4.04 0.22 0.00 4.77 -0.77 -4.70 117.00 117.78 1pqa n LEU 231 Ca 0.04 -2.63 0.07 0.00 -0.03 0.00 0.00 56.01 53.46 1pqa n LEU 231 Cb 0.51 -0.49 0.50 0.00 -2.33 0.00 0.00 43.42 41.61 1pqa n LEU 231 CO 0.35 0.72 0.83 0.03 -1.33 0.00 0.00 177.39 177.98 1pqa h ARG 232 N 2.60 0.00 -0.23 3.23 2.47 -1.53 -2.33 114.38 118.58 1pqa h ARG 232 Ca 0.00 0.00 -0.17 0.00 -1.26 0.00 0.00 59.98 58.55 1pqa h ARG 232 Cb 1.33 0.00 -0.00 0.00 -1.65 0.00 0.00 29.97 29.64 1pqa h ARG 232 CO 0.20 0.26 -0.53 0.77 0.56 0.00 0.00 179.97 181.22 1pqa h SER 233 N 0.00 0.75 -0.34 7.04 0.02 -1.89 0.19 113.55 119.31 1pqa h SER 233 Ca -0.00 -0.39 -0.13 0.00 -0.84 0.00 0.00 61.79 60.43 1pqa h SER 233 Cb 0.56 -0.21 -0.01 0.00 0.14 0.00 0.00 62.40 62.87 1pqa h SER 233 CO 0.03 1.13 -0.25 0.15 -1.14 0.00 0.00 176.83 176.76 1pqa h PHE 234 N 0.52 0.98 0.23 3.45 3.57 -1.83 -2.79 116.94 121.07 1pqa h PHE 234 Ca 0.01 -0.24 -0.01 0.00 3.53 0.00 0.00 57.97 61.26 1pqa h PHE 234 Cb 1.10 -0.23 0.00 0.00 2.79 0.00 0.00 35.95 39.61 1pqa h PHE 234 CO 0.05 1.01 -0.11 0.82 -2.23 0.00 0.00 178.31 177.85 1pqa h ILE 235 N 0.73 0.83 -0.14 1.41 2.04 -1.27 -2.96 117.51 118.15 1pqa h ILE 235 Ca 0.09 -0.43 -0.02 0.00 1.00 0.00 0.00 64.86 65.50 1pqa h ILE 235 Cb 0.79 1.08 -0.01 0.00 -0.74 0.00 0.00 36.82 37.95 1pqa h ILE 235 CO 0.07 0.10 -0.01 0.44 0.00 0.00 0.00 178.15 178.74 1pqa h ASP 236 N -0.53 0.18 0.68 1.72 3.32 -1.03 -0.77 116.42 119.99 1pqa h ASP 236 Ca -0.03 -0.02 -0.19 0.00 0.02 0.00 0.00 57.03 56.81 1pqa h ASP 236 Cb 0.40 -0.05 -0.02 0.00 0.22 0.00 0.00 39.33 39.88 1pqa h ASP 236 CO 0.05 0.23 -0.87 0.74 -1.72 0.00 0.00 179.24 177.67 1pqa h THR 237 N 0.20 1.54 -0.00 0.35 2.02 -1.48 -3.35 112.91 112.18 1pqa h THR 237 Ca 0.05 -2.73 0.00 0.00 0.77 0.00 0.00 66.41 64.50 1pqa h THR 237 Cb 0.16 2.51 0.00 0.00 -1.74 0.00 0.00 68.15 69.08 1pqa h THR 237 CO 0.00 0.79 -0.72 -1.22 0.37 0.00 0.00 175.52 174.75 1pqa n TYR 238 N -3.61 0.00 0.91 3.16 4.01 -1.00 -5.12 117.16 115.51 1pqa n TYR 238 Ca -0.03 0.00 0.07 0.00 -0.16 0.00 0.00 57.90 57.79 1pqa n TYR 238 Cb 0.81 0.00 0.43 0.00 -0.31 0.00 0.00 39.34 40.28 1pqa n TYR 238 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40