#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pq8 s VAL 17 N 0.00 4.89 -0.67 1.39 1.01 0.32 -4.10 120.40 123.25 1pq8 s VAL 17 Ca 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 61.98 61.97 1pq8 s VAL 17 Cb 0.00 -3.17 0.00 0.00 0.00 0.00 0.00 36.38 33.21 1pq8 s VAL 17 CO 0.00 0.51 0.00 0.61 0.00 0.00 0.00 175.10 176.22 1pq8 n GLY 18 N 3.02 0.85 0.00 4.51 0.00 -1.23 -2.04 105.19 110.31 1pq8 n GLY 18 Ca -0.17 -0.77 0.00 0.00 0.00 0.00 0.00 46.02 45.08 1pq8 n GLY 18 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pq8 n GLY 19 N -2.20 2.24 3.36 -0.02 0.00 -1.26 -4.89 105.19 102.43 1pq8 n GLY 19 Ca -0.06 -1.84 -0.10 0.00 0.00 0.00 0.00 46.02 44.02 1pq8 n GLY 19 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1pq8 s THR 20 N 3.61 0.06 0.21 2.61 -1.32 0.09 -4.93 115.64 115.96 1pq8 s THR 20 Ca 0.00 -0.72 -0.30 0.00 -1.21 0.00 0.00 61.69 59.45 1pq8 s THR 20 Cb 0.00 -1.34 -0.09 0.00 -1.51 0.00 0.00 72.50 69.56 1pq8 s THR 20 CO 0.00 -0.28 1.39 -0.94 -2.21 0.00 0.00 174.62 172.58 1pq8 s SER 21 N -2.84 6.77 0.43 8.08 1.04 -1.26 -0.71 113.70 125.21 1pq8 s SER 21 Ca 0.06 2.52 -0.24 0.00 0.48 0.00 0.00 55.95 58.77 1pq8 s SER 21 Cb 0.01 -2.61 -0.08 0.00 0.10 0.00 0.00 66.02 63.44 1pq8 s SER 21 CO -0.09 -0.63 1.15 0.00 0.98 0.00 0.00 173.24 174.65 1pq8 s ALA 22 N 0.23 3.04 0.39 5.32 0.00 -0.50 -4.81 121.76 125.44 1pq8 s ALA 22 Ca 0.59 0.91 -0.06 0.00 0.00 0.00 0.00 51.96 53.40 1pq8 s ALA 22 Cb -0.39 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.31 1pq8 s ALA 22 CO 0.39 -0.56 0.70 -1.12 0.00 0.00 0.00 175.76 175.17 1pq8 s SER 23 N -1.33 6.39 0.21 0.00 0.01 -1.26 -4.88 113.70 112.84 1pq8 s SER 23 Ca 0.61 0.89 -0.32 0.00 1.31 0.00 0.00 55.95 58.43 1pq8 s SER 23 Cb -0.28 -2.22 -0.12 0.00 0.21 0.00 0.00 66.02 63.61 1pq8 s SER 23 CO 0.35 -0.40 1.71 0.00 0.41 0.00 0.00 173.24 175.31 1pq8 n ALA 24 N -1.58 2.77 -0.87 1.44 0.00 -1.26 -1.46 120.51 119.55 1pq8 n ALA 24 Ca -0.00 0.40 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1pq8 n ALA 24 Cb 0.55 -2.51 0.00 0.00 0.00 0.00 0.00 19.45 17.48 1pq8 n ALA 24 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pq8 n GLY 25 N 3.88 0.71 0.32 0.00 0.00 -1.26 -4.95 105.19 103.88 1pq8 n GLY 25 Ca 0.16 0.00 -0.04 0.00 0.00 0.00 0.00 46.02 46.13 1pq8 n GLY 25 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1pq8 h ASP 26 N 0.00 0.92 -2.45 1.61 3.32 -1.64 -3.35 116.42 114.82 1pq8 h ASP 26 Ca 0.00 -0.16 -0.59 0.00 0.02 0.00 0.00 57.03 56.30 1pq8 h ASP 26 Cb 0.00 -0.24 -0.38 0.00 0.22 0.00 0.00 39.33 38.93 1pq8 h ASP 26 CO 0.00 0.86 -0.94 -0.36 -1.72 0.00 0.00 179.24 177.09 1pq8 s PHE 27 N -5.32 1.18 0.55 4.55 0.08 -1.26 -4.99 117.98 112.76 1pq8 s PHE 27 Ca -0.11 -2.29 0.34 0.00 0.12 0.00 0.00 56.93 54.99 1pq8 s PHE 27 Cb 0.15 -1.02 1.90 0.00 -0.57 0.00 0.00 43.02 43.48 1pq8 s PHE 27 CO 0.82 -0.81 2.24 -1.35 -0.10 0.00 0.00 175.22 176.02 1pq8 h PRO 28 N 5.83 0.00 -0.01 0.24 0.11 -1.79 -1.61 132.00 134.77 1pq8 h PRO 28 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1pq8 h PRO 28 Cb 0.91 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.02 1pq8 h PRO 28 CO 0.38 0.03 -0.35 1.97 -0.21 0.00 0.00 178.00 179.81 1pq8 n PHE 29 N -3.56 0.00 -2.38 0.65 1.16 -1.17 -1.53 117.46 110.64 1pq8 n PHE 29 Ca -0.03 0.00 -0.40 0.00 -1.87 0.00 0.00 57.45 55.15 1pq8 n PHE 29 Cb 0.12 -0.15 -0.04 0.00 -1.61 0.00 0.00 39.48 37.80 1pq8 n PHE 29 CO 0.00 0.00 0.00 -1.50 -1.87 0.00 0.00 176.76 173.39 1pq8 s ILE 30 N -2.66 3.28 0.03 1.97 2.07 -0.61 -0.08 121.20 125.21 1pq8 s ILE 30 Ca 0.20 1.26 0.08 0.00 -1.41 0.00 0.00 60.65 60.77 1pq8 s ILE 30 Cb 0.19 -3.79 -0.02 0.00 0.13 0.00 0.00 42.46 38.96 1pq8 s ILE 30 CO 0.58 0.28 -0.22 0.68 -1.91 0.00 0.00 174.94 174.35 1pq8 s VAL 31 N -1.20 1.79 -0.04 4.00 -7.23 -0.32 -4.24 120.40 113.15 1pq8 s VAL 31 Ca 0.47 -1.17 -0.18 0.00 -1.81 0.00 0.00 61.98 59.29 1pq8 s VAL 31 Cb -0.33 -1.53 -0.05 0.00 0.56 0.00 0.00 36.38 35.03 1pq8 s VAL 31 CO 0.43 0.32 0.50 -0.94 -0.31 0.00 0.00 175.10 175.10 1pq8 s SER 32 N -1.00 6.83 -0.37 4.85 1.04 -0.70 -1.21 113.70 123.13 1pq8 s SER 32 Ca 0.09 0.98 -0.05 0.00 0.48 0.00 0.00 55.95 57.45 1pq8 s SER 32 Cb -0.09 -2.31 0.07 0.00 0.10 0.00 0.00 66.02 63.80 1pq8 s SER 32 CO 0.01 0.13 0.14 -0.63 0.98 0.00 0.00 173.24 173.87 1pq8 s ILE 33 N -0.14 3.53 0.37 -1.02 1.01 -0.43 -1.40 121.20 123.13 1pq8 s ILE 33 Ca 0.27 -1.54 -0.11 0.00 0.00 0.00 0.00 60.65 59.27 1pq8 s ILE 33 Cb -0.17 -3.17 -0.07 0.00 0.01 0.00 0.00 42.46 39.06 1pq8 s ILE 33 CO 0.14 -0.39 0.74 -0.44 0.00 0.00 0.00 174.94 174.98 1pq8 s SER 34 N 1.66 6.56 -0.04 3.58 0.01 -0.17 -1.30 113.70 124.01 1pq8 s SER 34 Ca 0.02 1.11 0.01 0.00 1.31 0.00 0.00 55.95 58.40 1pq8 s SER 34 Cb -0.21 -2.31 0.02 0.00 0.21 0.00 0.00 66.02 63.73 1pq8 s SER 34 CO -0.01 -0.34 -0.03 -0.60 0.41 0.00 0.00 173.24 172.68 1pq8 s ARG 35 N -3.63 0.68 -1.32 12.44 3.52 -0.15 -1.51 118.95 128.98 1pq8 s ARG 35 Ca 0.51 -0.05 -0.02 0.00 -0.13 0.00 0.00 55.73 56.04 1pq8 s ARG 35 Cb -0.10 -0.75 0.01 0.00 -1.56 0.00 0.00 34.95 32.54 1pq8 s ARG 35 CO 0.28 -0.10 0.12 0.09 -0.81 0.00 0.00 175.30 174.88 1pq8 n ASN 36 N 4.11 -4.64 0.00 -2.12 3.02 0.22 -1.33 115.26 114.52 1pq8 n ASN 36 Ca -0.25 0.02 0.00 0.00 -0.03 0.00 0.00 54.58 54.33 1pq8 n ASN 36 Cb 0.51 -3.88 0.00 0.00 -0.61 0.00 0.00 39.78 35.79 1pq8 n ASN 36 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1pq8 n GLY 37 N -0.98 1.39 3.75 7.41 0.00 -1.26 -5.02 105.19 110.48 1pq8 n GLY 37 Ca -0.15 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.58 1pq8 n GLY 37 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pq8 s GLY 38 N -1.84 2.65 0.25 -0.02 0.00 -0.44 -5.05 107.32 102.88 1pq8 s GLY 38 Ca 0.00 -1.34 -0.30 0.00 0.00 0.00 0.00 44.72 43.08 1pq8 s GLY 38 CO 0.00 -2.07 1.39 -4.14 0.00 0.00 0.00 173.10 168.28 1pq8 s PRO 39 N -3.92 4.31 0.27 2.90 0.02 -1.26 -0.97 135.00 136.35 1pq8 s PRO 39 Ca 0.25 2.24 0.00 0.00 0.02 0.00 0.00 61.00 63.51 1pq8 s PRO 39 Cb 0.03 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.43 1pq8 s PRO 39 CO 0.14 -0.35 0.00 1.87 -0.33 0.00 0.00 177.00 178.33 1pq8 n TRP 40 N 2.13 -2.45 -2.58 6.54 -0.00 -1.17 -4.74 117.44 115.17 1pq8 n TRP 40 Ca 0.05 0.46 0.00 0.00 -0.00 0.00 0.00 57.50 58.01 1pq8 n TRP 40 Cb 0.41 0.69 0.00 0.00 -0.00 0.00 0.00 31.31 32.41 1pq8 n TRP 40 CO 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 177.69 177.69 1pq8 s GLY 42 N -0.54 2.69 0.18 0.00 0.00 0.13 -1.32 107.32 108.46 1pq8 s GLY 42 Ca 0.00 -1.09 -0.15 0.00 0.00 0.00 0.00 44.72 43.48 1pq8 s GLY 42 CO 0.00 -1.94 0.73 0.61 0.00 0.00 0.00 173.10 172.50 1pq8 n GLY 43 N -1.00 0.90 2.92 0.20 0.00 -0.35 -2.92 105.19 104.94 1pq8 n GLY 43 Ca -0.09 -1.12 -0.23 0.00 0.00 0.00 0.00 46.02 44.58 1pq8 n GLY 43 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1pq8 s SER 44 N -2.76 1.46 -0.29 1.61 0.01 -0.03 -1.18 113.70 112.52 1pq8 s SER 44 Ca 0.16 -0.20 -0.29 0.00 1.31 0.00 0.00 55.95 56.93 1pq8 s SER 44 Cb -0.03 -0.62 0.01 0.00 0.21 0.00 0.00 66.02 65.59 1pq8 s SER 44 CO 0.06 -0.05 1.15 -0.22 0.41 0.00 0.00 173.24 174.58 1pq8 s LEU 45 N 1.08 3.96 -0.04 2.44 2.96 0.89 -0.47 118.68 129.50 1pq8 s LEU 45 Ca -0.08 1.18 0.09 0.00 -0.22 0.00 0.00 54.13 55.10 1pq8 s LEU 45 Cb -0.14 -3.54 -0.24 0.00 0.50 0.00 0.00 46.19 42.77 1pq8 s LEU 45 CO -0.01 -0.90 0.67 -0.07 -1.32 0.00 0.00 176.35 174.73 1pq8 h LEU 46 N 10.20 0.08 0.00 -0.68 3.38 -1.30 -1.01 115.31 125.98 1pq8 h LEU 46 Ca -0.22 -0.16 0.11 0.00 0.09 0.00 0.00 57.88 57.70 1pq8 h LEU 46 Cb 1.07 -0.03 -0.02 0.00 0.09 0.00 0.00 40.66 41.78 1pq8 h LEU 46 CO 1.02 1.14 0.45 -0.46 0.09 0.00 0.00 178.44 180.68 1pq8 n ASN 47 N -3.15 -1.44 0.29 -0.43 0.23 -1.22 -4.44 115.26 105.10 1pq8 n ASN 47 Ca -0.18 -1.78 0.13 0.00 -0.53 0.00 0.00 54.58 52.22 1pq8 n ASN 47 Cb 1.04 2.34 0.84 0.00 -2.08 0.00 0.00 39.78 41.93 1pq8 n ASN 47 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1pq8 h ALA 48 N 2.00 1.58 0.00 -2.53 0.00 -1.96 -2.85 119.26 115.49 1pq8 h ALA 48 Ca -0.22 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.67 1pq8 h ALA 48 Cb 0.96 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.75 1pq8 h ALA 48 CO 0.30 0.02 -0.05 0.09 0.00 0.00 0.00 179.25 179.61 1pq8 n ASN 49 N -3.94 2.00 -3.82 0.00 4.13 -1.26 -0.53 115.26 111.84 1pq8 n ASN 49 Ca -0.03 -2.75 -0.17 0.00 1.68 0.00 0.00 54.58 53.31 1pq8 n ASN 49 Cb 0.10 -0.33 -0.16 0.00 -1.54 0.00 0.00 39.78 37.86 1pq8 n ASN 49 CO 0.00 0.00 0.00 -0.89 0.28 0.00 0.00 177.26 176.65 1pq8 s THR 50 N -2.22 0.15 -0.03 3.41 2.01 -1.08 -0.73 115.64 117.15 1pq8 s THR 50 Ca 0.23 0.09 0.07 0.00 0.31 0.00 0.00 61.69 62.39 1pq8 s THR 50 Cb 0.20 -0.24 -0.02 0.00 0.01 0.00 0.00 72.50 72.45 1pq8 s THR 50 CO 0.02 0.13 -0.24 -0.69 -0.69 0.00 0.00 174.62 173.15 1pq8 s VAL 51 N 0.98 2.17 -0.17 3.82 1.01 -0.16 -0.80 120.40 127.25 1pq8 s VAL 51 Ca -0.10 -1.06 -0.09 0.00 0.00 0.00 0.00 61.98 60.74 1pq8 s VAL 51 Cb -0.13 -1.76 -0.05 0.00 0.00 0.00 0.00 36.38 34.44 1pq8 s VAL 51 CO -0.02 0.58 0.13 -0.22 0.00 0.00 0.00 175.10 175.57 1pq8 s LEU 52 N -0.55 4.24 0.00 3.92 2.96 0.38 -0.48 118.68 129.14 1pq8 s LEU 52 Ca 0.08 0.31 -0.01 0.00 -0.22 0.00 0.00 54.13 54.29 1pq8 s LEU 52 Cb -0.11 -2.07 0.01 0.00 0.50 0.00 0.00 46.19 44.52 1pq8 s LEU 52 CO -0.00 0.27 0.27 0.35 -1.32 0.00 0.00 176.35 175.92 1pq8 n THR 53 N 2.94 0.00 -2.56 3.68 -2.24 -0.06 -0.85 114.28 115.19 1pq8 n THR 53 Ca -0.18 -0.99 -0.40 0.00 -2.27 0.00 0.00 64.05 60.22 1pq8 n THR 53 Cb 0.53 0.61 -0.05 0.00 -2.10 0.00 0.00 70.33 69.32 1pq8 n THR 53 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pq8 s ALA 54 N -2.24 3.36 0.26 6.98 0.00 -1.26 0.89 121.76 129.76 1pq8 s ALA 54 Ca 0.16 0.80 -0.03 0.00 0.00 0.00 0.00 51.96 52.89 1pq8 s ALA 54 Cb -0.01 -3.29 0.39 0.00 0.00 0.00 0.00 23.12 20.21 1pq8 s ALA 54 CO 0.12 -0.05 1.88 0.00 0.00 0.00 0.00 175.76 177.71 1pq8 h ALA 55 N 3.80 1.37 0.00 0.00 0.00 -1.66 -2.22 119.26 120.54 1pq8 h ALA 55 Ca -0.46 -0.03 -0.01 0.00 0.00 0.00 0.00 54.91 54.41 1pq8 h ALA 55 Cb 1.21 -0.31 -0.00 0.00 0.00 0.00 0.00 17.79 18.68 1pq8 h ALA 55 CO 0.67 0.46 -0.04 1.12 0.00 0.00 0.00 179.25 181.46 1pq8 h HIS 56 N 1.18 0.00 0.00 0.00 2.07 -1.91 0.16 115.15 116.65 1pq8 h HIS 56 Ca 0.42 0.00 -0.04 0.00 -2.85 0.00 0.00 60.37 57.90 1pq8 h HIS 56 Cb 0.13 0.00 -0.01 0.00 2.57 0.00 0.00 27.41 30.11 1pq8 h HIS 56 CO -0.00 0.04 -0.21 0.00 -3.07 0.00 0.00 177.93 174.68 1pq8 n VAL 58 N -3.90 0.00 -1.80 0.00 0.24 -0.69 -4.97 118.33 107.20 1pq8 n VAL 58 Ca -0.02 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.86 1pq8 n VAL 58 Cb 0.30 0.14 -0.03 0.00 -1.47 0.00 0.00 33.84 32.77 1pq8 n VAL 58 CO 0.00 0.00 0.00 -0.55 -2.14 0.00 0.00 176.83 174.14 1pq8 s SER 59 N -1.38 6.47 -1.64 -1.34 0.15 0.48 -2.16 113.70 114.28 1pq8 s SER 59 Ca 0.00 2.74 0.00 0.00 0.70 0.00 0.00 55.95 59.39 1pq8 s SER 59 Cb 0.00 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.72 1pq8 s SER 59 CO 0.00 -0.93 0.00 0.61 1.20 0.00 0.00 173.24 174.12 1pq8 n GLY 60 N 3.96 0.24 3.81 9.45 0.00 -1.26 -4.97 105.19 116.42 1pq8 n GLY 60 Ca 0.16 -0.14 -0.25 0.00 0.00 0.00 0.00 46.02 45.79 1pq8 n GLY 60 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1pq8 s TYR 61 N -2.83 3.14 -0.03 1.61 2.02 -0.92 -5.04 117.35 115.30 1pq8 s TYR 61 Ca 0.00 -0.04 -0.30 0.00 -0.37 0.00 0.00 57.07 56.36 1pq8 s TYR 61 Cb 0.00 -1.48 -0.08 0.00 -0.40 0.00 0.00 41.96 40.00 1pq8 s TYR 61 CO 0.00 0.52 1.99 0.00 -1.57 0.00 0.00 175.55 176.49 1pq8 s ALA 62 N -1.85 3.40 -0.05 3.71 0.00 -1.26 -4.85 121.76 120.86 1pq8 s ALA 62 Ca 0.31 1.16 0.31 0.00 0.00 0.00 0.00 51.96 53.74 1pq8 s ALA 62 Cb -0.09 -3.89 1.29 0.00 0.00 0.00 0.00 23.12 20.43 1pq8 s ALA 62 CO 0.24 -1.83 1.92 -0.56 0.00 0.00 0.00 175.76 175.53 1pq8 h GLN 63 N 11.45 0.00 0.00 0.00 3.07 -1.96 -2.27 115.11 125.40 1pq8 h GLN 63 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 1pq8 h GLN 63 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 1pq8 h GLN 63 CO 0.95 0.00 0.00 0.66 0.09 0.00 0.00 178.83 180.53 1pq8 h SER 64 N 0.00 0.00 1.19 0.06 4.64 -1.91 -3.09 113.55 114.43 1pq8 h SER 64 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1pq8 h SER 64 Cb 0.45 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.54 1pq8 h SER 64 CO 0.00 0.00 0.00 1.23 -0.87 0.00 0.00 176.83 177.19 1pq8 h GLY 65 N 1.97 0.00 -4.82 -0.77 0.00 -1.80 -3.46 103.07 94.20 1pq8 h GLY 65 Ca 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.72 1pq8 h GLY 65 CO 0.00 0.00 -0.30 -1.36 0.00 0.00 0.00 176.54 174.88 1pq8 s PHE 66 N -3.22 3.60 -0.05 5.60 0.08 -1.17 -0.61 117.98 122.21 1pq8 s PHE 66 Ca 0.07 0.72 0.00 0.00 0.12 0.00 0.00 56.93 57.85 1pq8 s PHE 66 Cb 0.11 -2.10 0.02 0.00 -0.57 0.00 0.00 43.02 40.48 1pq8 s PHE 66 CO 0.52 0.57 -0.02 -1.14 -0.10 0.00 0.00 175.22 175.05 1pq8 s GLN 67 N -1.73 0.64 0.02 0.44 0.74 -0.57 -4.30 119.66 114.90 1pq8 s GLN 67 Ca 0.29 -0.01 -0.12 0.00 0.05 0.00 0.00 55.36 55.57 1pq8 s GLN 67 Cb -0.14 -0.77 -0.06 0.00 1.10 0.00 0.00 33.01 33.14 1pq8 s GLN 67 CO 0.16 -0.14 0.38 0.42 -0.55 0.00 0.00 175.29 175.56 1pq8 s ILE 68 N 1.17 5.09 -0.04 -2.34 1.09 0.23 -1.00 121.20 125.40 1pq8 s ILE 68 Ca -0.07 0.65 0.02 0.00 -1.10 0.00 0.00 60.65 60.14 1pq8 s ILE 68 Cb -0.14 -3.66 0.02 0.00 -1.06 0.00 0.00 42.46 37.62 1pq8 s ILE 68 CO -0.01 0.48 -0.06 -0.60 -0.10 0.00 0.00 174.94 174.64 1pq8 s ARG 69 N -1.37 0.98 0.20 2.79 3.52 -0.49 -1.06 118.95 123.51 1pq8 s ARG 69 Ca 0.26 -0.19 0.10 0.00 -0.13 0.00 0.00 55.73 55.77 1pq8 s ARG 69 Cb -0.15 -0.92 -0.04 0.00 -1.56 0.00 0.00 34.95 32.27 1pq8 s ARG 69 CO 0.14 -0.02 -0.16 0.00 -0.81 0.00 0.00 175.30 174.45 1pq8 s ALA 70 N 0.71 2.77 0.00 6.12 0.00 -0.04 -1.71 121.76 129.61 1pq8 s ALA 70 Ca -0.11 -1.58 0.00 0.00 0.00 0.00 0.00 51.96 50.28 1pq8 s ALA 70 Cb -0.13 -0.53 0.00 0.00 0.00 0.00 0.00 23.12 22.45 1pq8 s ALA 70 CO 0.01 0.43 0.00 0.41 0.00 0.00 0.00 175.76 176.61 1pq8 n GLY 71 N 0.06 0.43 3.05 0.00 0.00 -1.26 -0.98 105.19 106.49 1pq8 n GLY 71 Ca -0.11 -0.79 -0.13 0.00 0.00 0.00 0.00 46.02 45.00 1pq8 n GLY 71 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1pq8 s SER 72 N -2.71 0.81 0.28 1.61 0.15 -1.26 -4.03 113.70 108.55 1pq8 s SER 72 Ca 0.00 -0.53 0.25 0.00 0.70 0.00 0.00 55.95 56.37 1pq8 s SER 72 Cb 0.00 0.04 0.72 0.00 -1.71 0.00 0.00 66.02 65.06 1pq8 s SER 72 CO 0.00 -0.20 1.74 -0.07 1.20 0.00 0.00 173.24 175.90 1pq8 h LEU 73 N 4.55 0.00 -9.96 3.45 3.38 -1.95 -3.46 115.31 111.32 1pq8 h LEU 73 Ca -0.35 0.00 -0.55 0.00 0.09 0.00 0.00 57.88 57.06 1pq8 h LEU 73 Cb 1.20 0.00 -0.04 0.00 0.09 0.00 0.00 40.66 41.91 1pq8 h LEU 73 CO 0.41 0.00 -0.49 -0.94 0.09 0.00 0.00 178.44 177.50 1pq8 s SER 74 N -4.99 6.11 0.40 -0.43 1.04 -1.26 -0.72 113.70 113.85 1pq8 s SER 74 Ca 0.09 0.09 0.24 0.00 0.48 0.00 0.00 55.95 56.85 1pq8 s SER 74 Cb 0.10 -1.78 0.45 0.00 0.10 0.00 0.00 66.02 64.89 1pq8 s SER 74 CO 0.60 0.06 1.65 -0.09 0.98 0.00 0.00 173.24 176.44 1pq8 h ARG 75 N 2.25 0.00 0.00 4.02 2.43 -1.88 -3.40 114.38 117.80 1pq8 h ARG 75 Ca -0.48 0.00 0.00 0.00 -0.81 0.00 0.00 59.98 58.69 1pq8 h ARG 75 Cb 1.19 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.74 1pq8 h ARG 75 CO 0.67 0.00 0.00 0.25 -1.51 0.00 0.00 179.97 179.38 1pq8 n THR 76 N -2.94 0.00 -3.81 0.20 -2.24 -1.26 -4.90 114.28 99.32 1pq8 n THR 76 Ca 0.04 -0.50 -0.09 0.00 -2.27 0.00 0.00 64.05 61.23 1pq8 n THR 76 Cb 0.51 1.00 -0.04 0.00 -2.10 0.00 0.00 70.33 69.70 1pq8 n THR 76 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pq8 s SER 77 N -0.46 -0.22 0.00 3.42 1.04 -1.26 -5.16 113.70 111.06 1pq8 s SER 77 Ca 0.00 -0.60 0.00 0.00 0.48 0.00 0.00 55.95 55.83 1pq8 s SER 77 Cb 0.00 0.60 0.00 0.00 0.10 0.00 0.00 66.02 66.72 1pq8 s SER 77 CO 0.00 -1.10 0.00 0.61 0.98 0.00 0.00 173.24 173.73 1pq8 n GLY 78 N -0.36 -1.75 7.00 7.32 0.00 -1.26 -4.49 105.19 111.65 1pq8 n GLY 78 Ca -0.07 -1.54 0.00 0.00 0.00 0.00 0.00 46.02 44.41 1pq8 n GLY 78 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pq8 n GLY 79 N -1.89 0.53 2.95 -0.02 0.00 -1.26 -4.72 105.19 100.79 1pq8 n GLY 79 Ca 0.00 -0.78 -0.21 0.00 0.00 0.00 0.00 46.02 45.02 1pq8 n GLY 79 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1pq8 s ILE 80 N 0.00 0.76 0.23 -0.61 1.01 -0.15 -4.96 121.20 117.48 1pq8 s ILE 80 Ca 0.00 -0.28 0.06 0.00 0.00 0.00 0.00 60.65 60.43 1pq8 s ILE 80 Cb 0.00 -0.73 -0.04 0.00 0.01 0.00 0.00 42.46 41.70 1pq8 s ILE 80 CO 0.00 0.27 0.20 0.42 0.00 0.00 0.00 174.94 175.82 1pq8 s THR 81 N 0.68 4.54 -0.05 2.92 -4.23 -1.26 -0.86 115.64 117.38 1pq8 s THR 81 Ca -0.11 -1.28 -0.15 0.00 -1.18 0.00 0.00 61.69 58.97 1pq8 s THR 81 Cb -0.14 -3.42 0.03 0.00 1.34 0.00 0.00 72.50 70.31 1pq8 s THR 81 CO 0.01 -0.29 0.35 -0.55 -0.54 0.00 0.00 174.62 173.61 1pq8 s SER 82 N -3.67 -0.28 0.86 3.99 0.15 -0.23 -4.85 113.70 109.68 1pq8 s SER 82 Ca 0.33 0.32 -0.10 0.00 0.70 0.00 0.00 55.95 57.19 1pq8 s SER 82 Cb -0.09 0.46 0.16 0.00 -1.71 0.00 0.00 66.02 64.84 1pq8 s SER 82 CO 0.25 -0.37 1.19 -0.44 1.20 0.00 0.00 173.24 175.07 1pq8 s SER 83 N -0.89 3.68 -0.12 5.45 0.01 -1.26 -0.60 113.70 119.97 1pq8 s SER 83 Ca -0.10 0.10 -0.07 0.00 1.31 0.00 0.00 55.95 57.19 1pq8 s SER 83 Cb -0.04 -0.31 -0.04 0.00 0.21 0.00 0.00 66.02 65.84 1pq8 s SER 83 CO 0.04 -2.35 0.14 -0.76 0.41 0.00 0.00 173.24 170.72 1pq8 s LEU 84 N -5.60 4.38 -0.16 2.44 1.43 -1.26 -1.13 118.68 118.78 1pq8 s LEU 84 Ca 0.70 0.46 0.10 0.00 -1.03 0.00 0.00 54.13 54.36 1pq8 s LEU 84 Cb -0.05 -2.07 -0.23 0.00 0.03 0.00 0.00 46.19 43.87 1pq8 s LEU 84 CO 0.49 0.40 0.20 -0.24 0.23 0.00 0.00 176.35 177.44 1pq8 n SER 85 N 2.04 0.94 -3.63 2.29 2.88 0.88 -4.64 113.62 114.39 1pq8 n SER 85 Ca -0.20 0.11 -0.10 0.00 -1.33 0.00 0.00 58.87 57.35 1pq8 n SER 85 Cb 0.55 0.17 -0.02 0.00 -0.75 0.00 0.00 64.21 64.15 1pq8 n SER 85 CO 0.00 0.00 0.00 -0.94 -1.23 0.00 0.00 175.04 172.87 1pq8 s SER 86 N -6.08 -0.41 -0.03 -3.46 1.04 -1.17 -4.98 113.70 98.61 1pq8 s SER 86 Ca -0.16 -0.29 0.01 0.00 0.48 0.00 0.00 55.95 56.00 1pq8 s SER 86 Cb 0.07 0.64 0.01 0.00 0.10 0.00 0.00 66.02 66.85 1pq8 s SER 86 CO 0.77 -1.12 -0.05 -0.69 0.98 0.00 0.00 173.24 173.13 1pq8 s VAL 87 N -3.83 0.53 -0.15 5.02 1.01 -1.26 -1.26 120.40 120.46 1pq8 s VAL 87 Ca 0.06 -0.17 -0.02 0.00 0.00 0.00 0.00 61.98 61.85 1pq8 s VAL 87 Cb -0.03 -0.52 0.05 0.00 0.00 0.00 0.00 36.38 35.88 1pq8 s VAL 87 CO -0.04 0.20 0.01 -0.60 0.00 0.00 0.00 175.10 174.66 1pq8 s ARG 88 N 0.57 0.79 0.49 2.72 3.52 0.04 -5.00 118.95 122.07 1pq8 s ARG 88 Ca -0.07 -0.26 -0.10 0.00 -0.13 0.00 0.00 55.73 55.16 1pq8 s ARG 88 Cb -0.11 -1.72 -0.05 0.00 -1.56 0.00 0.00 34.95 31.51 1pq8 s ARG 88 CO 0.00 -0.49 0.86 0.14 -0.81 0.00 0.00 175.30 175.00 1pq8 s VAL 89 N 1.85 4.77 0.27 7.11 -7.23 -1.26 -0.59 120.40 125.32 1pq8 s VAL 89 Ca 0.01 0.65 -0.30 0.00 -1.81 0.00 0.00 61.98 60.54 1pq8 s VAL 89 Cb -0.15 -3.80 -0.14 0.00 0.56 0.00 0.00 36.38 32.86 1pq8 s VAL 89 CO -0.07 -0.77 1.23 1.57 -0.31 0.00 0.00 175.10 176.75 1pq8 n HIS 90 N -1.91 1.81 0.21 2.82 -0.00 -0.27 -4.84 115.22 113.05 1pq8 n HIS 90 Ca 0.03 0.58 0.10 0.00 0.46 0.00 0.00 57.72 58.89 1pq8 n HIS 90 Cb 0.54 -2.36 0.51 0.00 -0.12 0.00 0.00 29.99 28.56 1pq8 n HIS 90 CO 0.00 0.00 0.00 -0.35 0.46 0.00 0.00 176.34 176.45 1pq8 n PRO 91 N 1.22 0.14 -0.09 1.57 -0.04 -1.26 -1.52 135.00 135.02 1pq8 n PRO 91 Ca 0.10 0.57 0.03 0.00 -0.04 0.00 0.00 63.50 64.15 1pq8 n PRO 91 Cb 0.32 -1.89 0.08 0.00 -0.04 0.00 0.00 33.50 31.97 1pq8 n PRO 91 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1pq8 n SER 92 N -2.17 2.42 -4.68 3.54 7.64 -1.26 -5.02 113.62 114.09 1pq8 n SER 92 Ca -0.00 -2.17 -0.45 0.00 1.01 0.00 0.00 58.87 57.25 1pq8 n SER 92 Cb 0.08 -0.15 -0.04 0.00 -1.01 0.00 0.00 64.21 63.10 1pq8 n SER 92 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1pq8 n TYR 93 N -0.30 2.42 -3.56 1.43 9.36 -0.57 -4.66 117.16 121.28 1pq8 n TYR 93 Ca 0.06 0.19 -0.01 0.00 3.32 0.00 0.00 57.90 61.47 1pq8 n TYR 93 Cb 0.38 -2.59 -0.05 0.00 -0.63 0.00 0.00 39.34 36.46 1pq8 n TYR 93 CO 0.00 0.00 0.00 0.45 0.22 0.00 0.00 176.86 177.53 1pq8 s SER 94 N 1.08 -0.86 1.84 2.98 0.15 -0.71 -5.02 113.70 113.17 1pq8 s SER 94 Ca 0.78 1.21 0.00 0.00 0.70 0.00 0.00 55.95 58.64 1pq8 s SER 94 Cb -0.63 1.87 0.00 0.00 -1.71 0.00 0.00 66.02 65.56 1pq8 s SER 94 CO 0.36 -0.17 0.00 0.61 1.20 0.00 0.00 173.24 175.24 1pq8 n GLY 95 N 5.00 3.52 0.09 9.45 0.00 -1.26 -0.74 105.19 121.25 1pq8 n GLY 95 Ca -0.12 -0.14 0.14 0.00 0.00 0.00 0.00 46.02 45.90 1pq8 n GLY 95 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pq8 n ASN 96 N 4.40 0.47 -4.75 1.61 5.03 -1.26 -4.94 115.26 115.81 1pq8 n ASN 96 Ca 0.00 -0.40 -0.40 0.00 0.87 0.00 0.00 54.58 54.65 1pq8 n ASN 96 Cb 0.00 -0.06 -0.06 0.00 -1.02 0.00 0.00 39.78 38.64 1pq8 n ASN 96 CO 0.00 0.00 0.00 0.21 -1.83 0.00 0.00 177.26 175.64 1pq8 s ASN 97 N -2.64 7.49 -1.12 6.41 2.47 0.08 -4.03 114.94 123.60 1pq8 s ASN 97 Ca 0.23 1.77 -0.01 0.00 0.42 0.00 0.00 52.86 55.27 1pq8 s ASN 97 Cb 0.19 -2.55 0.00 0.00 -1.45 0.00 0.00 41.25 37.44 1pq8 s ASN 97 CO 0.52 0.12 0.94 0.59 -3.72 0.00 0.00 177.10 175.55 1pq8 n ASN 98 N 1.92 -2.63 -3.52 -4.21 3.02 -1.26 -1.73 115.26 106.85 1pq8 n ASN 98 Ca -0.02 -0.56 -0.40 0.00 -0.03 0.00 0.00 54.58 53.57 1pq8 n ASN 98 Cb 0.48 -4.71 -0.01 0.00 -0.61 0.00 0.00 39.78 34.93 1pq8 n ASN 98 CO 0.00 0.00 0.00 -0.67 -2.62 0.00 0.00 177.26 173.97 1pq8 n ASP 99 N -2.90 7.38 -4.14 6.41 2.03 -1.26 -4.25 116.55 119.83 1pq8 n ASP 99 Ca -0.22 -2.95 -0.17 0.00 0.52 0.00 0.00 54.79 51.97 1pq8 n ASP 99 Cb 0.64 -1.46 -0.12 0.00 -0.72 0.00 0.00 41.12 39.46 1pq8 n ASP 99 CO 0.00 0.00 0.00 -0.76 -1.92 0.00 0.00 177.20 174.52 1pq8 s LEU 100 N -0.78 2.28 0.00 -2.67 1.43 -1.26 -2.80 118.68 114.88 1pq8 s LEU 100 Ca 0.55 -0.61 -0.03 0.00 -1.03 0.00 0.00 54.13 53.01 1pq8 s LEU 100 Cb 0.16 -0.41 -0.01 0.00 0.03 0.00 0.00 46.19 45.97 1pq8 s LEU 100 CO -0.07 -0.12 0.05 0.00 0.23 0.00 0.00 176.35 176.44 1pq8 s ALA 101 N -1.38 -0.10 -0.23 4.21 0.00 0.26 -1.12 121.76 123.40 1pq8 s ALA 101 Ca -0.04 -0.25 -0.08 0.00 0.00 0.00 0.00 51.96 51.59 1pq8 s ALA 101 Cb -0.10 0.08 -0.04 0.00 0.00 0.00 0.00 23.12 23.06 1pq8 s ALA 101 CO 0.02 -0.15 0.09 0.42 0.00 0.00 0.00 175.76 176.14 1pq8 s ILE 102 N -1.10 4.69 -0.13 0.00 -1.09 0.24 -0.88 121.20 122.92 1pq8 s ILE 102 Ca -0.12 -0.05 -0.03 0.00 -2.23 0.00 0.00 60.65 58.22 1pq8 s ILE 102 Cb -0.07 -3.17 -0.03 0.00 -1.58 0.00 0.00 42.46 37.61 1pq8 s ILE 102 CO 0.00 0.36 -0.02 -0.76 -1.23 0.00 0.00 174.94 173.30 1pq8 s LEU 103 N 1.20 3.40 -0.12 2.97 1.43 0.36 -0.78 118.68 127.15 1pq8 s LEU 103 Ca 0.05 -0.01 -0.05 0.00 -1.03 0.00 0.00 54.13 53.09 1pq8 s LEU 103 Cb -0.14 -1.80 -0.04 0.00 0.03 0.00 0.00 46.19 44.24 1pq8 s LEU 103 CO 0.04 0.25 0.09 -0.54 0.23 0.00 0.00 176.35 176.42 1pq8 s LYS 104 N -0.14 3.36 -0.05 1.70 -0.14 -0.38 -0.99 119.74 123.09 1pq8 s LYS 104 Ca 0.04 -0.24 -0.13 0.00 -1.36 0.00 0.00 55.97 54.28 1pq8 s LYS 104 Cb -0.13 -3.07 -0.05 0.00 -1.68 0.00 0.00 37.83 32.90 1pq8 s LYS 104 CO 0.02 0.70 0.33 -0.51 -0.76 0.00 0.00 175.35 175.13 1pq8 s LEU 105 N -0.83 4.42 0.40 3.17 1.43 0.09 -0.08 118.68 127.28 1pq8 s LEU 105 Ca 0.13 0.78 0.15 0.00 -1.03 0.00 0.00 54.13 54.17 1pq8 s LEU 105 Cb -0.12 -2.43 0.85 0.00 0.03 0.00 0.00 46.19 44.52 1pq8 s LEU 105 CO 0.03 0.31 1.87 0.77 0.23 0.00 0.00 176.35 179.56 1pq8 h SER 106 N 5.07 0.00 -3.12 2.29 4.64 -1.39 -3.42 113.55 117.62 1pq8 h SER 106 Ca -0.51 0.00 -0.66 0.00 -0.47 0.00 0.00 61.79 60.15 1pq8 h SER 106 Cb 1.21 0.00 -0.35 0.00 -0.31 0.00 0.00 62.40 62.96 1pq8 h SER 106 CO 0.63 0.31 -0.86 -0.89 -0.87 0.00 0.00 176.83 175.15 1pq8 s THR 107 N -4.20 1.96 0.35 2.95 2.01 -1.26 -4.99 115.64 112.46 1pq8 s THR 107 Ca -0.03 -0.89 -0.27 0.00 0.31 0.00 0.00 61.69 60.81 1pq8 s THR 107 Cb 0.14 -1.77 -0.09 0.00 0.01 0.00 0.00 72.50 70.79 1pq8 s THR 107 CO 0.70 0.53 1.16 -0.44 -0.69 0.00 0.00 174.62 175.87 1pq8 s SER 108 N 1.17 6.83 -0.25 3.53 0.01 -1.26 -4.81 113.70 118.92 1pq8 s SER 108 Ca 0.01 2.35 0.01 0.00 1.31 0.00 0.00 55.95 59.63 1pq8 s SER 108 Cb -0.14 -2.62 0.04 0.00 0.21 0.00 0.00 66.02 63.51 1pq8 s SER 108 CO -0.09 -0.46 -0.09 -0.63 0.41 0.00 0.00 173.24 172.38 1pq8 s ILE 109 N -1.31 2.48 0.40 1.44 1.01 0.31 -5.01 121.20 120.52 1pq8 s ILE 109 Ca 0.52 -1.32 -0.23 0.00 0.00 0.00 0.00 60.65 59.62 1pq8 s ILE 109 Cb -0.32 -2.33 -0.10 0.00 0.01 0.00 0.00 42.46 39.72 1pq8 s ILE 109 CO 0.41 0.11 0.97 -2.16 0.00 0.00 0.00 174.94 174.27 1pq8 s PRO 110 N 1.22 4.26 0.57 2.79 0.04 -1.26 -4.28 135.00 138.33 1pq8 s PRO 110 Ca -0.04 1.26 -0.16 0.00 0.04 0.00 0.00 61.00 62.10 1pq8 s PRO 110 Cb -0.18 -2.38 -0.05 0.00 0.04 0.00 0.00 34.50 31.93 1pq8 s PRO 110 CO -0.06 -0.01 1.03 0.45 0.04 0.00 0.00 177.00 178.45 1pq8 s SER 111 N -1.92 6.07 0.00 6.66 0.15 -1.26 -4.85 113.70 118.54 1pq8 s SER 111 Ca 0.59 1.74 0.00 0.00 0.70 0.00 0.00 55.95 58.98 1pq8 s SER 111 Cb -0.14 -2.53 0.00 0.00 -1.71 0.00 0.00 66.02 61.64 1pq8 s SER 111 CO 0.19 -0.97 0.00 0.61 1.20 0.00 0.00 173.24 174.27 1pq8 n GLY 112 N -1.16 4.48 7.00 9.45 0.00 0.14 -5.00 105.19 120.10 1pq8 n GLY 112 Ca 0.08 -1.33 0.00 0.00 0.00 0.00 0.00 46.02 44.77 1pq8 n GLY 112 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pq8 n GLY 113 N -1.85 2.37 0.73 -0.02 0.00 -1.26 -1.72 105.19 103.44 1pq8 n GLY 113 Ca 0.00 -0.42 0.05 0.00 0.00 0.00 0.00 46.02 45.64 1pq8 n GLY 113 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1pq8 n ASN 114 N 3.67 2.07 -4.64 1.61 3.02 -1.26 -4.77 115.26 114.95 1pq8 n ASN 114 Ca 0.00 -2.10 -0.35 0.00 -0.03 0.00 0.00 54.58 52.10 1pq8 n ASN 114 Cb 0.00 -0.31 -0.10 0.00 -0.61 0.00 0.00 39.78 38.76 1pq8 n ASN 114 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 1pq8 s ILE 115 N -1.62 4.49 0.32 2.41 1.01 -0.70 -4.49 121.20 122.61 1pq8 s ILE 115 Ca 0.22 -0.16 -0.07 0.00 0.00 0.00 0.00 60.65 60.64 1pq8 s ILE 115 Cb 0.13 -2.96 0.01 0.00 0.01 0.00 0.00 42.46 39.65 1pq8 s ILE 115 CO 0.13 0.53 0.51 -0.83 0.00 0.00 0.00 174.94 175.28 1pq8 s GLY 116 N -0.17 1.09 0.08 6.18 0.00 -0.58 -0.68 107.32 113.24 1pq8 s GLY 116 Ca 0.06 -1.26 0.04 0.00 0.00 0.00 0.00 44.72 43.56 1pq8 s GLY 116 CO 0.02 -0.82 0.04 -0.19 0.00 0.00 0.00 173.10 172.15 1pq8 s TYR 117 N -3.22 3.10 0.35 1.90 2.02 -1.26 -3.03 117.35 117.20 1pq8 s TYR 117 Ca 0.27 0.03 -0.27 0.00 -0.37 0.00 0.00 57.07 56.73 1pq8 s TYR 117 Cb -0.01 -1.59 -0.09 0.00 -0.40 0.00 0.00 41.96 39.87 1pq8 s TYR 117 CO 0.16 0.50 1.16 0.00 -1.57 0.00 0.00 175.55 175.80 1pq8 s ALA 118 N -1.34 3.29 -0.11 3.71 0.00 -0.38 -4.83 121.76 122.11 1pq8 s ALA 118 Ca 0.27 0.98 -0.14 0.00 0.00 0.00 0.00 51.96 53.07 1pq8 s ALA 118 Cb -0.12 -3.37 -0.05 0.00 0.00 0.00 0.00 23.12 19.58 1pq8 s ALA 118 CO 0.20 -0.41 0.34 1.03 0.00 0.00 0.00 175.76 176.92 1pq8 s ARG 119 N -1.95 4.12 0.00 0.00 0.52 -1.26 -4.91 118.95 115.47 1pq8 s ARG 119 Ca 0.52 0.23 -0.04 0.00 -0.52 0.00 0.00 55.73 55.91 1pq8 s ARG 119 Cb -0.32 -3.35 -0.04 0.00 0.52 0.00 0.00 34.95 31.75 1pq8 s ARG 119 CO 0.41 0.39 0.22 -0.51 0.02 0.00 0.00 175.30 175.83 1pq8 s LEU 120 N -0.03 4.37 0.44 2.53 1.43 -1.26 -0.54 118.68 125.61 1pq8 s LEU 120 Ca 0.20 0.43 -0.25 0.00 -1.03 0.00 0.00 54.13 53.49 1pq8 s LEU 120 Cb -0.14 -2.66 -0.09 0.00 0.03 0.00 0.00 46.19 43.32 1pq8 s LEU 120 CO 0.08 0.25 1.26 0.00 0.23 0.00 0.00 176.35 178.17 1pq8 n ALA 121 N 0.97 1.27 -1.72 4.21 0.00 -0.34 -4.82 120.51 120.09 1pq8 n ALA 121 Ca -0.11 0.24 -0.39 0.00 0.00 0.00 0.00 53.44 53.19 1pq8 n ALA 121 Cb 0.53 -2.27 0.04 0.00 0.00 0.00 0.00 19.45 17.75 1pq8 n ALA 121 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1pq8 n ALA 122 N -0.35 1.38 -1.69 0.00 0.00 -1.26 -4.48 120.51 114.10 1pq8 n ALA 122 Ca 0.07 0.12 -0.44 0.00 0.00 0.00 0.00 53.44 53.19 1pq8 n ALA 122 Cb 0.40 -2.32 -0.03 0.00 0.00 0.00 0.00 19.45 17.50 1pq8 n ALA 122 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1pq8 n SER 123 N -0.90 3.37 0.00 0.00 2.88 -1.26 -1.51 113.62 116.20 1pq8 n SER 123 Ca 0.11 1.09 0.00 0.00 -1.33 0.00 0.00 58.87 58.74 1pq8 n SER 123 Cb 0.44 -1.49 0.00 0.00 -0.75 0.00 0.00 64.21 62.42 1pq8 n SER 123 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pq8 n GLY 124 N 3.22 1.56 3.82 0.46 0.00 -0.02 -5.04 105.19 109.19 1pq8 n GLY 124 Ca 0.15 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pq8 n GLY 124 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pq8 s SER 125 N -3.19 5.48 -0.10 1.61 1.04 -0.57 -4.92 113.70 113.05 1pq8 s SER 125 Ca 0.00 1.66 -0.04 0.00 0.48 0.00 0.00 55.95 58.05 1pq8 s SER 125 Cb 0.00 -2.50 0.05 0.00 0.10 0.00 0.00 66.02 63.67 1pq8 s SER 125 CO 0.00 -1.37 0.20 -0.62 0.98 0.00 0.00 173.24 172.42 1pq8 s ASP 126 N -3.57 0.55 0.25 7.02 2.15 -1.26 -4.06 116.67 117.75 1pq8 s ASP 126 Ca 0.59 0.43 -0.31 0.00 0.43 0.00 0.00 52.55 53.69 1pq8 s ASP 126 Cb -0.14 0.43 -0.12 0.00 -0.30 0.00 0.00 42.92 42.78 1pq8 s ASP 126 CO 0.51 -0.24 1.56 -2.65 -0.17 0.00 0.00 175.17 174.18 1pq8 n PRO 127 N 5.26 2.47 -2.60 4.34 -0.02 -1.26 -4.91 135.00 138.28 1pq8 n PRO 127 Ca -0.07 0.88 -0.41 0.00 -2.02 0.00 0.00 63.50 61.89 1pq8 n PRO 127 Cb 0.50 -2.64 -0.04 0.00 -0.02 0.00 0.00 33.50 31.30 1pq8 n PRO 127 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1pq8 s VAL 128 N 0.25 4.15 0.20 -1.45 1.01 -1.26 -4.96 120.40 118.35 1pq8 s VAL 128 Ca 0.68 1.79 -0.33 0.00 0.00 0.00 0.00 61.98 64.13 1pq8 s VAL 128 Cb -0.56 -4.15 -0.14 0.00 0.00 0.00 0.00 36.38 31.53 1pq8 s VAL 128 CO 0.45 0.28 1.42 0.00 0.00 0.00 0.00 175.10 177.25 1pq8 n ALA 129 N 2.69 0.80 0.00 5.51 0.00 -1.26 -1.26 120.51 127.00 1pq8 n ALA 129 Ca 0.03 0.43 0.00 0.00 0.00 0.00 0.00 53.44 53.91 1pq8 n ALA 129 Cb 0.47 -2.25 0.00 0.00 0.00 0.00 0.00 19.45 17.67 1pq8 n ALA 129 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1pq8 n GLY 130 N 2.50 2.62 3.78 0.00 0.00 0.10 -4.94 105.19 109.25 1pq8 n GLY 130 Ca 0.14 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.85 1pq8 n GLY 130 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1pq8 s SER 131 N -1.66 4.65 -0.13 1.61 1.04 -0.38 -4.63 113.70 114.19 1pq8 s SER 131 Ca 0.00 1.74 -0.13 0.00 0.48 0.00 0.00 55.95 58.04 1pq8 s SER 131 Cb 0.00 -2.48 -0.05 0.00 0.10 0.00 0.00 66.02 63.59 1pq8 s SER 131 CO 0.00 -1.93 0.29 -0.44 0.98 0.00 0.00 173.24 172.13 1pq8 s SER 132 N -3.51 6.48 0.13 7.02 0.01 -1.26 -0.84 113.70 121.73 1pq8 s SER 132 Ca 0.61 0.56 0.07 0.00 1.31 0.00 0.00 55.95 58.50 1pq8 s SER 132 Cb -0.16 -2.17 -0.04 0.00 0.21 0.00 0.00 66.02 63.85 1pq8 s SER 132 CO 0.56 0.18 -0.17 0.00 0.41 0.00 0.00 173.24 174.22 1pq8 s ALA 133 N 0.02 1.71 -0.07 1.44 0.00 -0.13 -3.05 121.76 121.68 1pq8 s ALA 133 Ca 0.17 -1.32 0.03 0.00 0.00 0.00 0.00 51.96 50.84 1pq8 s ALA 133 Cb -0.13 -0.15 0.00 0.00 0.00 0.00 0.00 23.12 22.84 1pq8 s ALA 133 CO 0.05 0.21 -0.17 0.99 0.00 0.00 0.00 175.76 176.84 1pq8 s THR 134 N -1.82 1.47 0.10 0.00 2.01 -0.09 -0.69 115.64 116.62 1pq8 s THR 134 Ca 0.10 -0.69 0.10 0.00 0.31 0.00 0.00 61.69 61.50 1pq8 s THR 134 Cb -0.07 -1.29 -0.04 0.00 0.01 0.00 0.00 72.50 71.11 1pq8 s THR 134 CO 0.04 0.43 -0.25 0.54 -0.69 0.00 0.00 174.62 174.69 1pq8 s VAL 135 N 0.39 2.34 0.02 3.82 0.11 -0.27 -0.53 120.40 126.28 1pq8 s VAL 135 Ca -0.12 -1.59 -0.01 0.00 -2.93 0.00 0.00 61.98 57.33 1pq8 s VAL 135 Cb -0.15 -2.01 -0.02 0.00 -1.53 0.00 0.00 36.38 32.68 1pq8 s VAL 135 CO 0.05 0.18 -0.00 0.00 -3.33 0.00 0.00 175.10 172.00 1pq8 s ALA 136 N -0.99 0.07 0.00 1.54 0.00 -0.99 -1.04 121.76 120.35 1pq8 s ALA 136 Ca 0.14 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 51.54 1pq8 s ALA 136 Cb -0.10 0.15 0.00 0.00 0.00 0.00 0.00 23.12 23.17 1pq8 s ALA 136 CO 0.05 -0.18 0.00 0.41 0.00 0.00 0.00 175.76 176.04 1pq8 n GLY 137 N 1.47 -1.52 1.16 0.00 0.00 -0.33 -4.21 105.19 101.75 1pq8 n GLY 137 Ca -0.23 -1.08 0.06 0.00 0.00 0.00 0.00 46.02 44.77 1pq8 n GLY 137 CO 0.00 0.00 0.00 0.79 0.00 0.00 0.00 173.32 174.11 1pq8 n TRP 138 N -0.16 1.26 -1.66 1.61 8.01 -1.26 -2.02 117.44 123.21 1pq8 n TRP 138 Ca 0.00 -0.94 -0.22 0.00 -1.31 0.00 0.00 57.50 55.03 1pq8 n TRP 138 Cb 0.00 -0.39 0.15 0.00 -2.01 0.00 0.00 31.31 29.06 1pq8 n TRP 138 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1pq8 n GLY 139 N -0.37 -1.46 3.71 6.99 0.00 -1.24 -4.32 105.19 108.51 1pq8 n GLY 139 Ca 0.25 -1.69 -0.32 0.00 0.00 0.00 0.00 46.02 44.26 1pq8 n GLY 139 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pq8 s ALA 140 N -3.95 1.87 -2.55 4.61 0.00 -0.20 -3.12 121.76 118.42 1pq8 s ALA 140 Ca 0.56 0.56 0.22 0.00 0.00 0.00 0.00 51.96 53.30 1pq8 s ALA 140 Cb -0.02 -3.40 0.27 0.00 0.00 0.00 0.00 23.12 19.98 1pq8 s ALA 140 CO 0.39 -2.23 1.27 0.25 0.00 0.00 0.00 175.76 175.44 1pq8 n THR 141 N -3.63 0.23 -3.76 0.00 -2.24 -1.26 -0.76 114.28 102.86 1pq8 n THR 141 Ca 0.11 -0.61 -0.11 0.00 -2.27 0.00 0.00 64.05 61.17 1pq8 n THR 141 Cb 0.52 1.24 -0.07 0.00 -2.10 0.00 0.00 70.33 69.92 1pq8 n THR 141 CO 0.00 0.00 0.00 -0.94 -0.57 0.00 0.00 175.07 173.56 1pq8 s SER 142 N -1.65 -0.07 0.17 3.42 1.04 -1.26 -4.53 113.70 110.81 1pq8 s SER 142 Ca 0.30 -0.34 -0.33 0.00 0.48 0.00 0.00 55.95 56.06 1pq8 s SER 142 Cb 0.20 0.37 -0.13 0.00 0.10 0.00 0.00 66.02 66.55 1pq8 s SER 142 CO 0.28 -0.68 1.62 1.21 0.98 0.00 0.00 173.24 176.65 1pq8 n GLU 143 N 0.28 2.31 -0.95 4.02 2.13 -1.26 -1.07 120.64 126.09 1pq8 n GLU 143 Ca -0.17 0.83 0.00 0.00 0.66 0.00 0.00 57.16 58.48 1pq8 n GLU 143 Cb 0.61 -2.63 0.00 0.00 0.27 0.00 0.00 31.44 29.69 1pq8 n GLU 143 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1pq8 n GLY 144 N 3.58 0.42 3.75 8.31 0.00 -1.26 -4.98 105.19 115.02 1pq8 n GLY 144 Ca 0.17 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.82 1pq8 n GLY 144 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pq8 s GLY 145 N -2.00 2.82 -0.03 -0.02 0.00 -0.23 -4.93 107.32 102.92 1pq8 s GLY 145 Ca 0.00 1.14 0.21 0.00 0.00 0.00 0.00 44.72 46.07 1pq8 s GLY 145 CO 0.00 1.59 0.49 -1.14 0.00 0.00 0.00 173.10 174.05 1pq8 n SER 146 N -1.20 0.12 -4.94 1.64 3.41 -1.26 -4.86 113.62 106.52 1pq8 n SER 146 Ca 0.11 0.05 -0.25 0.00 -0.26 0.00 0.00 58.87 58.52 1pq8 n SER 146 Cb 0.47 1.65 -0.03 0.00 -0.26 0.00 0.00 64.21 66.05 1pq8 n SER 146 CO 0.00 0.00 0.00 -0.44 -0.16 0.00 0.00 175.04 174.44 1pq8 s SER 147 N -4.78 6.35 0.05 4.04 0.01 -1.26 -5.10 113.70 113.01 1pq8 s SER 147 Ca -0.07 0.26 0.02 0.00 1.31 0.00 0.00 55.95 57.47 1pq8 s SER 147 Cb 0.12 -1.95 -0.03 0.00 0.21 0.00 0.00 66.02 64.38 1pq8 s SER 147 CO 0.88 -0.05 -0.07 0.42 0.41 0.00 0.00 173.24 174.84 1pq8 s THR 148 N -1.90 0.52 0.52 1.44 -4.23 -1.26 -4.44 115.64 106.29 1pq8 s THR 148 Ca 0.36 -1.24 -0.19 0.00 -1.18 0.00 0.00 61.69 59.45 1pq8 s THR 148 Cb -0.10 -0.79 -0.07 0.00 1.34 0.00 0.00 72.50 72.87 1pq8 s THR 148 CO 0.30 -0.50 1.04 -2.16 -0.54 0.00 0.00 174.62 172.76 1pq8 s PRO 149 N -2.03 3.67 0.02 3.99 0.04 -1.26 -4.97 135.00 134.46 1pq8 s PRO 149 Ca -0.06 1.29 -0.21 0.00 0.04 0.00 0.00 61.00 62.06 1pq8 s PRO 149 Cb -0.07 -2.08 -0.17 0.00 0.04 0.00 0.00 34.50 32.23 1pq8 s PRO 149 CO -0.01 -0.53 1.28 0.28 0.04 0.00 0.00 177.00 178.06 1pq8 h VAL 150 N 1.20 1.38 -3.09 -0.36 2.07 -1.94 -3.45 116.25 112.06 1pq8 h VAL 150 Ca -0.49 -1.42 -0.63 0.00 0.82 0.00 0.00 66.70 64.99 1pq8 h VAL 150 Cb 1.22 2.06 -0.07 0.00 -1.52 0.00 0.00 31.29 32.98 1pq8 h VAL 150 CO 0.59 0.41 -0.57 0.20 0.02 0.00 0.00 177.57 178.22 1pq8 s ASN 151 N -6.14 5.81 0.26 0.57 0.01 -1.26 -3.47 114.94 110.73 1pq8 s ASN 151 Ca -0.14 0.09 -0.31 0.00 -0.71 0.00 0.00 52.86 51.79 1pq8 s ASN 151 Cb 0.04 -1.65 -0.13 0.00 0.41 0.00 0.00 41.25 39.93 1pq8 s ASN 151 CO 0.75 0.17 1.47 -0.11 -1.51 0.00 0.00 177.10 177.86 1pq8 n LEU 152 N 0.39 3.56 -4.66 0.60 7.94 0.11 -4.92 117.00 120.02 1pq8 n LEU 152 Ca -0.07 1.15 -0.24 0.00 -1.11 0.00 0.00 56.01 55.74 1pq8 n LEU 152 Cb 0.51 -1.49 -0.07 0.00 0.53 0.00 0.00 43.42 42.90 1pq8 n LEU 152 CO 0.47 -0.27 -0.31 -0.76 -1.11 0.00 0.00 177.39 175.41 1pq8 s LEU 153 N -0.16 3.27 0.05 -1.96 1.43 -0.86 -1.41 118.68 119.04 1pq8 s LEU 153 Ca 0.66 -0.57 -0.03 0.00 -1.03 0.00 0.00 54.13 53.16 1pq8 s LEU 153 Cb -0.59 -1.81 -0.02 0.00 0.03 0.00 0.00 46.19 43.79 1pq8 s LEU 153 CO 0.50 0.01 0.04 -1.59 0.23 0.00 0.00 176.35 175.54 1pq8 s LYS 154 N -3.55 0.61 -0.05 1.70 -2.85 0.11 -1.19 119.74 114.52 1pq8 s LYS 154 Ca 0.31 -0.99 -0.14 0.00 -1.00 0.00 0.00 55.97 54.14 1pq8 s LYS 154 Cb -0.07 0.23 0.03 0.00 -2.06 0.00 0.00 37.83 35.95 1pq8 s LYS 154 CO 0.20 -0.14 0.33 0.54 0.10 0.00 0.00 175.35 176.38 1pq8 s VAL 155 N -3.31 0.04 -0.17 1.79 0.11 -0.21 -0.73 120.40 117.93 1pq8 s VAL 155 Ca 0.01 -0.33 -0.04 0.00 -2.93 0.00 0.00 61.98 58.69 1pq8 s VAL 155 Cb 0.03 -0.59 -0.03 0.00 -1.53 0.00 0.00 36.38 34.27 1pq8 s VAL 155 CO -0.08 -0.18 -0.02 -0.89 -3.33 0.00 0.00 175.10 170.60 1pq8 s THR 156 N -0.88 3.97 0.02 5.04 2.01 -1.26 -1.11 115.64 123.43 1pq8 s THR 156 Ca -0.10 -0.32 -0.02 0.00 0.31 0.00 0.00 61.69 61.56 1pq8 s THR 156 Cb -0.04 -2.76 -0.02 0.00 0.01 0.00 0.00 72.50 69.69 1pq8 s THR 156 CO 0.03 0.48 0.01 0.68 -0.69 0.00 0.00 174.62 175.13 1pq8 s VAL 157 N 0.49 0.12 0.48 3.82 -7.23 0.13 -4.97 120.40 113.25 1pq8 s VAL 157 Ca -0.02 -0.99 -0.19 0.00 -1.81 0.00 0.00 61.98 58.96 1pq8 s VAL 157 Cb -0.14 -0.48 -0.09 0.00 0.56 0.00 0.00 36.38 36.23 1pq8 s VAL 157 CO 0.02 -0.55 0.98 -2.16 -0.31 0.00 0.00 175.10 173.09 1pq8 s PRO 158 N -1.82 4.02 0.27 4.82 0.04 -1.26 -0.95 135.00 140.12 1pq8 s PRO 158 Ca -0.12 1.10 -0.30 0.00 0.04 0.00 0.00 61.00 61.72 1pq8 s PRO 158 Cb -0.07 -2.14 -0.10 0.00 0.04 0.00 0.00 34.50 32.23 1pq8 s PRO 158 CO -0.02 -0.21 1.39 0.42 0.04 0.00 0.00 177.00 178.62 1pq8 s ILE 159 N -2.32 2.70 -0.13 0.56 -1.09 -0.02 -1.42 121.20 119.47 1pq8 s ILE 159 Ca 0.62 0.62 -0.05 0.00 -2.23 0.00 0.00 60.65 59.61 1pq8 s ILE 159 Cb -0.11 -3.39 -0.04 0.00 -1.58 0.00 0.00 42.46 37.34 1pq8 s ILE 159 CO 0.21 0.11 0.05 -0.69 -1.23 0.00 0.00 174.94 173.40 1pq8 s VAL 160 N -0.35 4.70 0.69 2.92 1.01 -0.07 -0.72 120.40 128.58 1pq8 s VAL 160 Ca 0.56 -0.08 -0.16 0.00 0.00 0.00 0.00 61.98 62.30 1pq8 s VAL 160 Cb -0.41 -3.05 0.02 0.00 0.00 0.00 0.00 36.38 32.94 1pq8 s VAL 160 CO 0.46 0.55 1.20 -0.94 0.00 0.00 0.00 175.10 176.37 1pq8 s SER 161 N -0.39 4.56 0.43 3.32 1.04 -1.26 -4.02 113.70 117.37 1pq8 s SER 161 Ca 0.09 2.32 0.10 0.00 0.48 0.00 0.00 55.95 58.93 1pq8 s SER 161 Cb -0.12 -2.59 0.94 0.00 0.10 0.00 0.00 66.02 64.35 1pq8 s SER 161 CO 0.02 -2.01 2.04 -0.09 0.98 0.00 0.00 173.24 174.18 1pq8 h ARG 162 N 0.04 0.46 -0.26 4.02 2.43 -1.94 -1.28 114.38 117.85 1pq8 h ARG 162 Ca -0.48 -0.03 -0.05 0.00 -0.81 0.00 0.00 59.98 58.61 1pq8 h ARG 162 Cb 1.29 -0.10 -0.01 0.00 -0.42 0.00 0.00 29.97 30.73 1pq8 h ARG 162 CO 0.52 0.30 -0.03 0.00 -1.51 0.00 0.00 179.97 179.25 1pq8 h ALA 163 N 1.75 0.35 -0.75 2.80 0.00 -1.99 -0.63 119.26 120.79 1pq8 h ALA 163 Ca 0.18 -0.25 -0.06 0.00 0.00 0.00 0.00 54.91 54.79 1pq8 h ALA 163 Cb 0.12 -0.09 -0.03 0.00 0.00 0.00 0.00 17.79 17.79 1pq8 h ALA 163 CO -0.04 0.12 0.25 1.15 0.00 0.00 0.00 179.25 180.72 1pq8 h THR 164 N 0.23 1.26 0.00 0.00 2.02 -1.77 -1.92 112.91 112.73 1pq8 h THR 164 Ca 0.07 -0.89 -0.00 0.00 0.77 0.00 0.00 66.41 66.35 1pq8 h THR 164 Cb 0.47 0.43 -0.00 0.00 -1.74 0.00 0.00 68.15 67.31 1pq8 h THR 164 CO 0.02 0.35 -0.03 0.00 0.37 0.00 0.00 175.52 176.23 1pq8 h ARG 166 N 0.00 0.00 -0.18 0.00 3.08 -0.88 0.42 114.38 116.83 1pq8 h ARG 166 Ca -0.00 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.93 1pq8 h ARG 166 Cb 1.01 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 31.04 1pq8 h ARG 166 CO 0.00 0.31 -0.39 0.00 -1.07 0.00 0.00 179.97 178.82 1pq8 h ALA 167 N 1.69 1.00 -0.15 0.04 0.00 -0.49 0.38 119.26 121.71 1pq8 h ALA 167 Ca -0.00 -0.42 -0.12 0.00 0.00 0.00 0.00 54.91 54.37 1pq8 h ALA 167 Cb 0.57 -0.10 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1pq8 h ALA 167 CO 0.04 0.61 -0.35 1.96 0.00 0.00 0.00 179.25 181.51 1pq8 h GLN 168 N 0.33 0.51 0.00 0.00 4.20 -0.82 -3.40 115.11 115.93 1pq8 h GLN 168 Ca 0.03 -0.34 0.00 0.00 0.06 0.00 0.00 58.65 58.40 1pq8 h GLN 168 Cb 0.84 0.05 0.00 0.00 0.30 0.00 0.00 27.48 28.67 1pq8 h GLN 168 CO 0.07 0.96 -1.37 0.66 -0.67 0.00 0.00 178.83 178.47 1pq8 n TYR 169 N -4.33 0.00 0.00 2.96 4.01 0.10 -5.04 117.16 114.86 1pq8 n TYR 169 Ca -0.07 0.00 0.00 0.00 -0.16 0.00 0.00 57.90 57.67 1pq8 n TYR 169 Cb 0.51 -0.23 0.00 0.00 -0.31 0.00 0.00 39.34 39.31 1pq8 n TYR 169 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1pq8 n GLY 170 N 1.68 2.93 0.14 2.72 0.00 0.13 -4.67 105.19 108.12 1pq8 n GLY 170 Ca -0.01 -1.75 -0.09 0.00 0.00 0.00 0.00 46.02 44.16 1pq8 n GLY 170 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1pq8 h THR 171 N 0.00 1.11 0.00 2.61 2.02 -1.92 -2.88 112.91 113.84 1pq8 h THR 171 Ca 0.00 -0.26 -0.09 0.00 0.77 0.00 0.00 66.41 66.83 1pq8 h THR 171 Cb 0.00 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.16 1pq8 h THR 171 CO 0.00 0.11 -0.41 0.28 0.37 0.00 0.00 175.52 175.87 1pq8 h SER 172 N 0.36 0.00 0.50 4.18 0.02 -1.92 -3.26 113.55 113.42 1pq8 h SER 172 Ca 0.10 0.00 -0.10 0.00 -0.84 0.00 0.00 61.79 60.95 1pq8 h SER 172 Cb 0.02 0.00 -0.01 0.00 0.14 0.00 0.00 62.40 62.55 1pq8 h SER 172 CO -0.02 0.41 -0.48 0.00 -1.14 0.00 0.00 176.83 175.60 1pq8 h ALA 173 N 1.59 1.19 -2.95 3.77 0.00 -1.78 -3.40 119.26 117.68 1pq8 h ALA 173 Ca -0.00 -0.44 -0.66 0.00 0.00 0.00 0.00 54.91 53.81 1pq8 h ALA 173 Cb 0.92 -0.08 -0.24 0.00 0.00 0.00 0.00 17.79 18.40 1pq8 h ALA 173 CO 0.05 0.60 -0.61 0.42 0.00 0.00 0.00 179.25 179.71 1pq8 s ILE 174 N -3.91 4.25 0.49 0.00 -1.09 -1.22 -4.99 121.20 114.73 1pq8 s ILE 174 Ca -0.02 -0.37 0.08 0.00 -2.23 0.00 0.00 60.65 58.10 1pq8 s ILE 174 Cb 0.13 -3.08 0.03 0.00 -1.58 0.00 0.00 42.46 37.97 1pq8 s ILE 174 CO 0.74 0.22 0.51 0.42 -1.23 0.00 0.00 174.94 175.59 1pq8 s THR 175 N 1.58 2.27 -1.42 2.92 -4.23 -1.26 -4.95 115.64 110.56 1pq8 s THR 175 Ca 0.05 -1.27 0.14 0.00 -1.18 0.00 0.00 61.69 59.43 1pq8 s THR 175 Cb -0.16 -2.54 0.24 0.00 1.34 0.00 0.00 72.50 71.39 1pq8 s THR 175 CO 0.04 0.00 1.39 0.59 -0.54 0.00 0.00 174.62 176.09 1pq8 n ASN 176 N -1.81 0.00 -1.31 3.99 3.02 -1.26 -1.86 115.26 116.02 1pq8 n ASN 176 Ca 0.05 0.10 0.10 0.00 -0.03 0.00 0.00 54.58 54.80 1pq8 n ASN 176 Cb 0.62 -0.29 0.31 0.00 -0.61 0.00 0.00 39.78 39.81 1pq8 n ASN 176 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1pq8 n GLN 177 N -1.29 3.22 -4.29 3.52 3.00 -1.26 -4.82 117.38 115.45 1pq8 n GLN 177 Ca 0.07 -2.68 -0.24 0.00 -0.01 0.00 0.00 57.00 54.14 1pq8 n GLN 177 Cb 0.12 -1.68 -0.12 0.00 0.00 0.00 0.00 30.24 28.55 1pq8 n GLN 177 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 177.06 175.42 1pq8 s MET 178 N -1.48 1.14 0.20 -1.09 -1.94 -0.78 -1.27 119.30 114.08 1pq8 s MET 178 Ca 0.45 -1.18 0.01 0.00 -1.71 0.00 0.00 55.69 53.26 1pq8 s MET 178 Cb 0.27 -1.39 -0.05 0.00 2.01 0.00 0.00 34.83 35.68 1pq8 s MET 178 CO 0.25 0.32 0.06 -0.59 -0.01 0.00 0.00 175.02 175.05 1pq8 s PHE 179 N -1.22 1.30 0.17 -0.03 -0.12 -0.30 -4.74 117.98 113.04 1pq8 s PHE 179 Ca 0.07 -1.14 0.10 0.00 -0.05 0.00 0.00 56.93 55.92 1pq8 s PHE 179 Cb -0.10 -0.74 -0.04 0.00 -0.63 0.00 0.00 43.02 41.51 1pq8 s PHE 179 CO 0.04 -0.33 -0.22 0.00 -0.05 0.00 0.00 175.22 174.67 1pq8 s ALA 181 N -1.74 -1.29 0.00 0.00 0.00 -0.41 -0.89 121.76 117.44 1pq8 s ALA 181 Ca 0.17 1.07 0.00 0.00 0.00 0.00 0.00 51.96 53.20 1pq8 s ALA 181 Cb -0.07 -0.29 0.00 0.00 0.00 0.00 0.00 23.12 22.75 1pq8 s ALA 181 CO 0.08 -0.29 0.00 0.41 0.00 0.00 0.00 175.76 175.96 1pq8 n GLY 182 N 1.71 -2.55 3.47 0.00 0.00 -0.51 -0.97 105.19 106.34 1pq8 n GLY 182 Ca -0.18 -1.38 -0.31 0.00 0.00 0.00 0.00 46.02 44.15 1pq8 n GLY 182 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1pq8 s VAL 183 N -1.95 2.90 0.33 1.61 -7.23 -1.26 -4.14 120.40 110.66 1pq8 s VAL 183 Ca 0.00 -1.04 0.02 0.00 -1.81 0.00 0.00 61.98 59.14 1pq8 s VAL 183 Cb 0.00 -2.20 0.28 0.00 0.56 0.00 0.00 36.38 35.02 1pq8 s VAL 183 CO 0.00 0.41 1.95 0.28 -0.31 0.00 0.00 175.10 177.43 1pq8 h SER 184 N 4.75 0.82 0.54 4.85 0.02 -1.99 0.02 113.55 122.56 1pq8 h SER 184 Ca -0.47 -0.01 0.00 0.00 -0.84 0.00 0.00 61.79 60.47 1pq8 h SER 184 Cb 1.15 -0.19 0.00 0.00 0.14 0.00 0.00 62.40 63.51 1pq8 h SER 184 CO 0.49 0.56 0.00 -1.54 -1.14 0.00 0.00 176.83 175.19 1pq8 n SER 185 N -4.46 0.38 -0.38 3.07 3.41 -1.26 -0.97 113.62 113.40 1pq8 n SER 185 Ca 0.11 0.60 0.03 0.00 -0.26 0.00 0.00 58.87 59.35 1pq8 n SER 185 Cb 0.14 -0.68 -0.01 0.00 -0.26 0.00 0.00 64.21 63.40 1pq8 n SER 185 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1pq8 n GLY 186 N -0.20 -1.94 0.55 5.00 0.00 -0.01 -4.18 105.19 104.41 1pq8 n GLY 186 Ca 0.02 -1.35 0.00 0.00 0.00 0.00 0.00 46.02 44.69 1pq8 n GLY 186 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pq8 n GLY 187 N -0.99 0.56 2.74 -0.02 0.00 0.30 -4.82 105.19 102.97 1pq8 n GLY 187 Ca 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.80 1pq8 n GLY 187 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pq8 s LYS 188 N -0.82 0.43 -0.01 1.61 1.02 -1.26 -3.48 119.74 117.24 1pq8 s LYS 188 Ca 0.00 0.18 -0.30 0.00 0.02 0.00 0.00 55.97 55.87 1pq8 s LYS 188 Cb 0.00 -0.86 0.11 0.00 -0.52 0.00 0.00 37.83 36.56 1pq8 s LYS 188 CO 0.00 -0.31 1.15 0.34 -0.92 0.00 0.00 175.35 175.61 1pq8 s ASP 189 N 2.02 -0.13 0.66 2.83 2.15 -0.86 -4.48 116.67 118.85 1pq8 s ASP 189 Ca 0.05 -0.16 -0.11 0.00 0.43 0.00 0.00 52.55 52.76 1pq8 s ASP 189 Cb -0.12 0.26 -0.01 0.00 -0.30 0.00 0.00 42.92 42.75 1pq8 s ASP 189 CO -0.05 -0.46 1.05 -0.94 -0.17 0.00 0.00 175.17 174.60 1pq8 s SER 190 N -2.76 5.78 0.17 -0.34 1.04 -1.26 -0.52 113.70 115.81 1pq8 s SER 190 Ca 0.12 1.21 -0.20 0.00 0.48 0.00 0.00 55.95 57.57 1pq8 s SER 190 Cb 0.02 -2.14 0.05 0.00 0.10 0.00 0.00 66.02 64.05 1pq8 s SER 190 CO -0.03 -1.12 0.54 0.00 0.98 0.00 0.00 173.24 173.61 1pq8 n GLN 192 N -0.34 0.00 0.00 0.00 3.00 -1.26 -0.58 117.38 118.20 1pq8 n GLN 192 Ca -0.14 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.85 1pq8 n GLN 192 Cb 0.64 -1.28 0.00 0.00 0.00 0.00 0.00 30.24 29.59 1pq8 n GLN 192 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pq8 n GLY 193 N 1.68 2.00 0.04 1.08 0.00 -1.26 -1.04 105.19 107.70 1pq8 n GLY 193 Ca 0.19 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.33 1pq8 n GLY 193 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1pq8 n ASP 194 N 0.00 0.62 -4.59 1.61 8.00 0.25 -3.68 116.55 118.76 1pq8 n ASP 194 Ca 0.00 0.01 -0.44 0.00 0.71 0.00 0.00 54.79 55.07 1pq8 n ASP 194 Cb 0.00 0.22 -0.01 0.00 -0.02 0.00 0.00 41.12 41.31 1pq8 n ASP 194 CO 0.00 0.00 0.00 -1.20 -0.39 0.00 0.00 177.20 175.61 1pq8 n SER 195 N -1.93 1.25 0.00 -2.24 7.64 -1.26 -1.79 113.62 115.29 1pq8 n SER 195 Ca 0.04 1.15 0.00 0.00 1.01 0.00 0.00 58.87 61.07 1pq8 n SER 195 Cb 0.41 -1.30 0.00 0.00 -1.01 0.00 0.00 64.21 62.31 1pq8 n SER 195 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pq8 n GLY 196 N 1.22 3.11 3.80 0.23 0.00 0.31 -0.69 105.19 113.17 1pq8 n GLY 196 Ca 0.09 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.82 1pq8 n GLY 196 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pq8 s GLY 197 N -1.45 1.63 0.28 -0.02 0.00 -0.74 -3.59 107.32 103.42 1pq8 s GLY 197 Ca 0.00 -0.77 -0.21 0.00 0.00 0.00 0.00 44.72 43.74 1pq8 s GLY 197 CO 0.00 -0.11 0.81 2.56 0.00 0.00 0.00 173.10 176.36 1pq8 s PRO 198 N -5.48 4.33 -0.09 2.90 0.04 -1.26 -1.07 135.00 134.38 1pq8 s PRO 198 Ca 0.67 1.01 0.04 0.00 0.04 0.00 0.00 61.00 62.76 1pq8 s PRO 198 Cb -0.11 -2.77 0.00 0.00 0.04 0.00 0.00 34.50 31.66 1pq8 s PRO 198 CO 0.53 0.31 -0.22 -1.50 0.04 0.00 0.00 177.00 176.16 1pq8 s ILE 199 N -1.64 1.89 0.23 0.56 2.07 -0.76 -2.34 121.20 121.21 1pq8 s ILE 199 Ca 0.48 -0.93 0.11 0.00 -1.41 0.00 0.00 60.65 58.90 1pq8 s ILE 199 Cb -0.16 -1.64 -0.05 0.00 0.13 0.00 0.00 42.46 40.74 1pq8 s ILE 199 CO 0.21 0.52 -0.19 0.68 -1.91 0.00 0.00 174.94 174.25 1pq8 s VAL 200 N 0.33 2.59 0.76 4.00 -7.23 0.31 -1.01 120.40 120.16 1pq8 s VAL 200 Ca -0.16 -2.10 -0.13 0.00 -1.81 0.00 0.00 61.98 57.78 1pq8 s VAL 200 Cb -0.17 -2.30 0.18 0.00 0.56 0.00 0.00 36.38 34.65 1pq8 s VAL 200 CO 0.07 -0.23 0.97 -0.90 -0.31 0.00 0.00 175.10 174.71 1pq8 n ASP 201 N -0.15 -0.20 0.16 4.85 5.68 -0.35 -0.92 116.55 125.62 1pq8 n ASP 201 Ca -0.09 -1.31 0.12 0.00 -0.50 0.00 0.00 54.79 53.01 1pq8 n ASP 201 Cb 0.57 -0.76 0.56 0.00 -1.14 0.00 0.00 41.12 40.35 1pq8 n ASP 201 CO 0.00 0.00 0.00 0.77 -1.33 0.00 0.00 177.20 176.64 1pq8 h SER 202 N -1.46 0.00 -0.04 -1.12 4.64 -1.88 -1.04 113.55 112.64 1pq8 h SER 202 Ca -0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.00 1pq8 h SER 202 Cb 0.90 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.99 1pq8 h SER 202 CO 0.22 0.00 0.00 -1.20 -0.87 0.00 0.00 176.83 174.98 1pq8 n SER 203 N -2.34 1.71 -0.26 4.97 7.64 -1.26 -4.94 113.62 119.14 1pq8 n SER 203 Ca 0.01 -1.59 -0.03 0.00 1.01 0.00 0.00 58.87 58.27 1pq8 n SER 203 Cb 0.17 -0.02 -0.01 0.00 -1.01 0.00 0.00 64.21 63.34 1pq8 n SER 203 CO 0.00 0.00 0.00 0.59 -3.01 0.00 0.00 175.04 172.62 1pq8 n ASN 204 N 0.34 -3.81 -4.74 6.43 3.02 -0.39 -5.03 115.26 111.08 1pq8 n ASN 204 Ca 0.18 0.08 -0.41 0.00 -0.03 0.00 0.00 54.58 54.41 1pq8 n ASN 204 Cb 0.38 -1.60 -0.04 0.00 -0.61 0.00 0.00 39.78 37.91 1pq8 n ASN 204 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 1pq8 s THR 205 N -1.99 3.82 -0.28 3.41 2.01 -1.26 -4.77 115.64 116.58 1pq8 s THR 205 Ca 0.00 1.62 -0.29 0.00 0.31 0.00 0.00 61.69 63.33 1pq8 s THR 205 Cb 0.00 -4.03 -0.01 0.00 0.01 0.00 0.00 72.50 68.47 1pq8 s THR 205 CO 0.00 0.30 1.41 -0.22 -0.69 0.00 0.00 174.62 175.42 1pq8 s LEU 206 N -0.58 3.87 -0.02 4.42 2.96 0.29 -1.21 118.68 128.41 1pq8 s LEU 206 Ca 0.48 1.32 0.17 0.00 -0.22 0.00 0.00 54.13 55.87 1pq8 s LEU 206 Cb -0.30 -3.54 -0.23 0.00 0.50 0.00 0.00 46.19 42.62 1pq8 s LEU 206 CO 0.36 -1.16 0.47 2.30 -1.32 0.00 0.00 176.35 177.00 1pq8 n ILE 207 N 6.33 0.00 -3.87 6.68 -5.35 -0.18 -1.19 119.36 121.77 1pq8 n ILE 207 Ca 0.16 -0.30 -0.03 0.00 -0.27 0.00 0.00 62.75 62.32 1pq8 n ILE 207 Cb 0.46 0.40 0.02 0.00 -1.74 0.00 0.00 39.64 38.78 1pq8 n ILE 207 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1pq8 s GLY 208 N -3.48 0.07 -0.03 3.28 0.00 -0.89 -1.22 107.32 105.05 1pq8 s GLY 208 Ca -0.02 -0.27 0.06 0.00 0.00 0.00 0.00 44.72 44.49 1pq8 s GLY 208 CO 0.69 2.36 -0.21 0.00 0.00 0.00 0.00 173.10 175.94 1pq8 s ALA 209 N -2.25 1.78 0.10 3.20 0.00 -0.64 -1.83 121.76 122.12 1pq8 s ALA 209 Ca 0.21 -0.90 -0.35 0.00 0.00 0.00 0.00 51.96 50.93 1pq8 s ALA 209 Cb -0.02 -0.49 -0.14 0.00 0.00 0.00 0.00 23.12 22.47 1pq8 s ALA 209 CO 0.05 0.41 1.58 0.28 0.00 0.00 0.00 175.76 178.07 1pq8 n VAL 210 N 2.70 0.09 0.03 0.00 0.31 -0.23 -1.15 118.33 120.08 1pq8 n VAL 210 Ca -0.16 -0.02 0.00 0.00 -0.01 0.00 0.00 64.34 64.15 1pq8 n VAL 210 Cb 0.53 -1.45 0.00 0.00 -0.91 0.00 0.00 33.84 32.01 1pq8 n VAL 210 CO 0.00 0.00 0.00 -0.24 -1.32 0.00 0.00 176.83 175.27 1pq8 n SER 211 N 3.75 0.35 -3.62 4.52 2.88 -0.89 -0.53 113.62 120.07 1pq8 n SER 211 Ca 0.18 0.11 -0.06 0.00 -1.33 0.00 0.00 58.87 57.77 1pq8 n SER 211 Cb 0.27 -0.06 -0.01 0.00 -0.75 0.00 0.00 64.21 63.66 1pq8 n SER 211 CO 0.00 0.00 0.00 -1.66 -1.23 0.00 0.00 175.04 172.15 1pq8 s TRP 212 N -1.45 -0.10 0.00 0.66 1.48 -0.70 -4.92 118.94 113.90 1pq8 s TRP 212 Ca 0.00 -0.37 0.00 0.00 -1.06 0.00 0.00 56.10 54.67 1pq8 s TRP 212 Cb 0.00 0.72 0.00 0.00 -1.16 0.00 0.00 33.47 33.03 1pq8 s TRP 212 CO 0.00 -1.20 0.00 0.41 -4.06 0.00 0.00 176.95 172.10 1pq8 n GLY 213 N -0.49 -0.41 3.38 3.67 0.00 -1.26 -0.59 105.19 109.49 1pq8 n GLY 213 Ca -0.05 -1.02 -0.45 0.00 0.00 0.00 0.00 46.02 44.50 1pq8 n GLY 213 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1pq8 s ASN 214 N 0.00 6.44 0.76 1.61 2.47 -1.26 -4.89 114.94 120.07 1pq8 s ASN 214 Ca 0.00 -1.92 0.00 0.00 0.42 0.00 0.00 52.86 51.36 1pq8 s ASN 214 Cb 0.00 -2.30 0.00 0.00 -1.45 0.00 0.00 41.25 37.50 1pq8 s ASN 214 CO 0.00 -0.95 0.00 0.61 -3.72 0.00 0.00 177.10 173.04 1pq8 n GLY 215 N 4.98 0.54 2.80 1.21 0.00 -1.26 -4.64 105.19 108.82 1pq8 n GLY 215 Ca 0.04 -0.82 -0.18 0.00 0.00 0.00 0.00 46.02 45.06 1pq8 n GLY 215 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pq8 n ALA 217 N 4.30 -0.44 -1.78 0.00 0.00 -1.26 -4.61 120.51 116.71 1pq8 n ALA 217 Ca -0.23 0.20 -0.37 0.00 0.00 0.00 0.00 53.44 53.04 1pq8 n ALA 217 Cb 0.50 -1.94 -0.05 0.00 0.00 0.00 0.00 19.45 17.96 1pq8 n ALA 217 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pq8 s ARG 218 N -4.41 4.25 0.30 0.00 0.52 -1.26 -0.54 118.95 117.81 1pq8 s ARG 218 Ca 0.00 1.48 -0.30 0.00 -0.52 0.00 0.00 55.73 56.39 1pq8 s ARG 218 Cb 0.00 -2.59 -0.12 0.00 0.52 0.00 0.00 34.95 32.76 1pq8 s ARG 218 CO 0.00 -0.06 1.43 -2.30 0.02 0.00 0.00 175.30 174.39 1pq8 n PRO 219 N 0.04 2.29 -1.93 3.54 -0.02 -1.26 -2.91 135.00 134.76 1pq8 n PRO 219 Ca 0.04 0.81 -0.20 0.00 -2.02 0.00 0.00 63.50 62.13 1pq8 n PRO 219 Cb 0.50 -2.49 -0.05 0.00 -0.02 0.00 0.00 33.50 31.44 1pq8 n PRO 219 CO 0.00 0.00 0.00 0.09 1.98 0.00 0.00 175.50 177.57 1pq8 n ASN 220 N 1.58 -5.57 -3.54 2.55 3.02 -0.15 -4.90 115.26 108.25 1pq8 n ASN 220 Ca 0.08 0.28 -0.29 0.00 -0.03 0.00 0.00 54.58 54.61 1pq8 n ASN 220 Cb 0.35 -4.74 -0.14 0.00 -0.61 0.00 0.00 39.78 34.63 1pq8 n ASN 220 CO 0.00 0.00 0.00 -0.31 -2.62 0.00 0.00 177.26 174.33 1pq8 s TYR 221 N -2.86 0.51 0.71 3.10 2.02 -1.15 -4.82 117.35 114.86 1pq8 s TYR 221 Ca 0.00 -1.09 -0.16 0.00 -0.37 0.00 0.00 57.07 55.45 1pq8 s TYR 221 Cb 0.00 -0.97 0.03 0.00 -0.40 0.00 0.00 41.96 40.62 1pq8 s TYR 221 CO 0.00 -0.83 1.22 -1.12 -1.57 0.00 0.00 175.55 173.25 1pq8 s SER 222 N 1.86 4.29 0.43 2.29 0.01 -1.26 -4.44 113.70 116.87 1pq8 s SER 222 Ca 0.11 2.40 -0.24 0.00 1.31 0.00 0.00 55.95 59.52 1pq8 s SER 222 Cb -0.17 -2.59 -0.08 0.00 0.21 0.00 0.00 66.02 63.38 1pq8 s SER 222 CO -0.29 -2.20 1.21 -0.83 0.41 0.00 0.00 173.24 171.54 1pq8 s GLY 223 N -1.91 2.86 -0.11 3.44 0.00 -0.14 -4.61 107.32 106.85 1pq8 s GLY 223 Ca 0.76 1.05 0.01 0.00 0.00 0.00 0.00 44.72 46.53 1pq8 s GLY 223 CO 0.44 1.57 -0.13 0.14 0.00 0.00 0.00 173.10 175.12 1pq8 s VAL 224 N -1.40 3.13 -0.00 1.40 1.01 0.24 -1.28 120.40 123.49 1pq8 s VAL 224 Ca 0.60 -0.65 0.06 0.00 0.00 0.00 0.00 61.98 61.99 1pq8 s VAL 224 Cb -0.33 -2.29 -0.02 0.00 0.00 0.00 0.00 36.38 33.74 1pq8 s VAL 224 CO 0.41 0.54 -0.20 -0.31 0.00 0.00 0.00 175.10 175.54 1pq8 s TYR 225 N 0.05 1.79 0.07 5.22 1.51 0.36 -1.72 117.35 124.63 1pq8 s TYR 225 Ca -0.04 -0.34 -0.31 0.00 -1.01 0.00 0.00 57.07 55.36 1pq8 s TYR 225 Cb -0.14 -1.13 -0.06 0.00 -0.11 0.00 0.00 41.96 40.51 1pq8 s TYR 225 CO 0.04 -0.01 1.25 0.00 -1.11 0.00 0.00 175.55 175.73 1pq8 s ALA 226 N -0.54 3.45 -0.34 3.71 0.00 -0.30 -1.15 121.76 126.59 1pq8 s ALA 226 Ca 0.08 0.91 -0.21 0.00 0.00 0.00 0.00 51.96 52.73 1pq8 s ALA 226 Cb -0.08 -3.47 -0.00 0.00 0.00 0.00 0.00 23.12 19.57 1pq8 s ALA 226 CO -0.00 -0.50 0.65 0.45 0.00 0.00 0.00 175.76 176.36 1pq8 s SER 227 N 1.11 6.47 0.18 0.00 0.15 -0.40 -1.62 113.70 119.60 1pq8 s SER 227 Ca 0.60 0.27 -0.12 0.00 0.70 0.00 0.00 55.95 57.41 1pq8 s SER 227 Cb -0.31 -2.34 0.10 0.00 -1.71 0.00 0.00 66.02 61.76 1pq8 s SER 227 CO 0.29 -0.57 1.80 0.58 1.20 0.00 0.00 173.24 176.53 1pq8 h VAL 228 N 5.64 1.20 -0.75 4.45 2.07 -1.48 -2.09 116.25 125.28 1pq8 h VAL 228 Ca -0.26 -0.51 0.06 0.00 0.82 0.00 0.00 66.70 66.81 1pq8 h VAL 228 Cb 1.11 0.39 -0.05 0.00 -1.52 0.00 0.00 31.29 31.22 1pq8 h VAL 228 CO 0.83 0.22 0.49 1.23 0.02 0.00 0.00 177.57 180.37 1pq8 h GLY 229 N 0.86 1.02 2.00 2.17 0.00 -1.77 -1.39 103.07 105.96 1pq8 h GLY 229 Ca 0.22 -0.33 0.00 0.00 0.00 0.00 0.00 47.33 47.22 1pq8 h GLY 229 CO -0.04 0.25 0.00 0.00 0.00 0.00 0.00 176.54 176.75 1pq8 h ALA 230 N 1.59 1.00 -0.09 3.60 0.00 -1.62 -0.00 119.26 123.73 1pq8 h ALA 230 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.23 1pq8 h ALA 230 Cb 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.01 1pq8 h ALA 230 CO -0.11 0.00 0.00 1.28 0.00 0.00 0.00 179.25 180.42 1pq8 n LEU 231 N -3.01 2.83 0.21 0.00 4.77 -0.58 -4.71 117.00 116.51 1pq8 n LEU 231 Ca 0.04 -2.97 0.06 0.00 -0.03 0.00 0.00 56.01 53.10 1pq8 n LEU 231 Cb 0.50 -0.44 0.48 0.00 -2.33 0.00 0.00 43.42 41.63 1pq8 n LEU 231 CO 0.33 0.69 0.84 0.03 -1.33 0.00 0.00 177.39 177.94 1pq8 h ARG 232 N 0.63 0.00 -0.21 3.23 2.47 -1.55 -2.48 114.38 116.47 1pq8 h ARG 232 Ca 0.00 0.00 -0.00 0.00 -1.26 0.00 0.00 59.98 58.72 1pq8 h ARG 232 Cb 1.10 0.00 -0.01 0.00 -1.65 0.00 0.00 29.97 29.41 1pq8 h ARG 232 CO 0.07 0.25 0.12 1.03 0.56 0.00 0.00 179.97 182.00 1pq8 h SER 233 N 0.00 0.26 0.03 7.04 0.87 -1.90 0.16 113.55 120.01 1pq8 h SER 233 Ca -0.00 -0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.49 1pq8 h SER 233 Cb 0.48 -0.06 -0.00 0.00 -0.44 0.00 0.00 62.40 62.37 1pq8 h SER 233 CO 0.03 0.25 -0.03 0.15 -0.53 0.00 0.00 176.83 176.70 1pq8 h PHE 234 N 0.24 -0.08 -0.20 2.24 3.57 -1.90 -1.61 116.94 119.20 1pq8 h PHE 234 Ca 0.07 0.00 0.03 0.00 3.53 0.00 0.00 57.97 61.60 1pq8 h PHE 234 Cb 0.04 0.03 -0.03 0.00 2.79 0.00 0.00 35.95 38.79 1pq8 h PHE 234 CO -0.04 -0.05 0.03 0.82 -2.23 0.00 0.00 178.31 176.84 1pq8 h ILE 235 N -0.07 0.91 -0.21 1.41 2.04 -1.23 -2.46 117.51 117.90 1pq8 h ILE 235 Ca 0.00 -0.04 -0.11 0.00 1.00 0.00 0.00 64.86 65.72 1pq8 h ILE 235 Cb 0.07 0.79 -0.01 0.00 -0.74 0.00 0.00 36.82 36.93 1pq8 h ILE 235 CO -0.01 0.02 -0.33 0.44 0.00 0.00 0.00 178.15 178.26 1pq8 h ASP 236 N 0.11 0.45 -0.55 1.72 3.32 -0.58 0.71 116.42 121.60 1pq8 h ASP 236 Ca 0.09 -0.17 -0.09 0.00 0.02 0.00 0.00 57.03 56.88 1pq8 h ASP 236 Cb 0.09 -0.12 -0.02 0.00 0.22 0.00 0.00 39.33 39.49 1pq8 h ASP 236 CO -0.12 0.76 0.02 0.74 -1.72 0.00 0.00 179.24 178.91 1pq8 h THR 237 N 0.37 1.26 0.00 0.35 2.02 -1.02 -3.33 112.91 112.55 1pq8 h THR 237 Ca 0.04 -1.09 0.00 0.00 0.77 0.00 0.00 66.41 66.13 1pq8 h THR 237 Cb 0.77 0.79 0.00 0.00 -1.74 0.00 0.00 68.15 67.97 1pq8 h THR 237 CO 0.06 0.40 -0.59 -1.22 0.37 0.00 0.00 175.52 174.54 1pq8 n TYR 238 N -4.19 0.00 0.42 3.16 4.01 -0.95 -5.11 117.16 114.50 1pq8 n TYR 238 Ca 0.03 0.00 0.03 0.00 -0.16 0.00 0.00 57.90 57.80 1pq8 n TYR 238 Cb 0.33 -0.02 0.20 0.00 -0.31 0.00 0.00 39.34 39.54 1pq8 n TYR 238 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40