#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1pqz n SER 6 N 0.00 -3.40 0.00 1.61 7.64 -1.26 -3.40 113.62 114.81 1pqz n SER 6 Ca 0.00 -0.57 0.00 0.00 1.01 0.00 0.00 58.87 59.31 1pqz n SER 6 Cb 0.00 -0.80 0.00 0.00 -1.01 0.00 0.00 64.21 62.40 1pqz n SER 6 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1pqz n GLU 7 N -2.90 -0.20 -0.86 1.43 1.02 -1.26 -3.89 120.64 113.98 1pqz n GLU 7 Ca 0.09 0.05 -0.29 0.00 -0.02 0.00 0.00 57.16 56.99 1pqz n GLU 7 Cb 0.39 -3.28 -0.01 0.00 -0.02 0.00 0.00 31.44 28.52 1pqz n GLU 7 CO 0.00 0.00 0.00 0.45 1.18 0.00 0.00 177.13 178.76 1pqz n SER 8 N -0.10 -1.06 0.00 1.62 2.88 -1.22 -3.43 113.62 112.31 1pqz n SER 8 Ca 0.00 0.65 0.00 0.00 -1.33 0.00 0.00 58.87 58.19 1pqz n SER 8 Cb 0.05 -0.58 0.00 0.00 -0.75 0.00 0.00 64.21 62.93 1pqz n SER 8 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1pqz n GLY 9 N 1.31 -1.85 3.50 0.46 0.00 -1.26 -4.72 105.19 102.63 1pqz n GLY 9 Ca 0.10 -1.64 -0.43 0.00 0.00 0.00 0.00 46.02 44.05 1pqz n GLY 9 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1pqz s LEU 10 N 0.00 4.72 -0.05 0.99 0.20 -0.45 0.02 118.68 124.11 1pqz s LEU 10 Ca 0.00 -0.55 0.05 0.00 0.69 0.00 0.00 54.13 54.32 1pqz s LEU 10 Cb 0.00 -2.52 -0.00 0.00 -0.43 0.00 0.00 46.19 43.23 1pqz s LEU 10 CO 0.00 -0.66 -0.20 0.00 -0.29 0.00 0.00 176.35 175.20 1pqz s ARG 11 N 2.41 2.08 -0.10 1.98 1.70 -0.07 -2.30 118.95 124.65 1pqz s ARG 11 Ca 0.16 -0.70 0.01 0.00 -0.47 0.00 0.00 55.73 54.73 1pqz s ARG 11 Cb -0.16 -1.77 -0.02 0.00 -0.57 0.00 0.00 34.95 32.44 1pqz s ARG 11 CO 0.16 0.26 -0.14 0.71 -1.08 0.00 0.00 175.30 175.21 1pqz s TYR 12 N 0.04 2.77 -0.30 5.89 2.02 -1.21 0.42 117.35 126.97 1pqz s TYR 12 Ca -0.06 -0.51 -0.05 0.00 -0.37 0.00 0.00 57.07 56.08 1pqz s TYR 12 Cb -0.13 -1.77 0.03 0.00 -0.40 0.00 0.00 41.96 39.69 1pqz s TYR 12 CO 0.03 -0.10 0.05 0.00 -1.57 0.00 0.00 175.55 173.96 1pqz s ALA 13 N 0.02 2.95 -0.13 3.71 0.00 -0.06 -2.08 121.76 126.17 1pqz s ALA 13 Ca -0.05 -1.62 -0.03 0.00 0.00 0.00 0.00 51.96 50.27 1pqz s ALA 13 Cb -0.14 -2.08 -0.03 0.00 0.00 0.00 0.00 23.12 20.87 1pqz s ALA 13 CO 0.04 -1.12 -0.01 0.71 0.00 0.00 0.00 175.76 175.39 1pqz s TYR 14 N 1.39 3.11 -0.03 0.00 2.02 0.14 -1.39 117.35 122.58 1pqz s TYR 14 Ca -0.01 -0.03 0.04 0.00 -0.37 0.00 0.00 57.07 56.70 1pqz s TYR 14 Cb -0.18 -1.90 -0.00 0.00 -0.40 0.00 0.00 41.96 39.47 1pqz s TYR 14 CO 0.01 0.21 -0.15 0.99 -1.57 0.00 0.00 175.55 175.04 1pqz s THR 15 N -0.18 1.23 -0.19 -0.71 2.01 0.63 -0.26 115.64 118.16 1pqz s THR 15 Ca 0.05 -0.62 0.00 0.00 0.31 0.00 0.00 61.69 61.43 1pqz s THR 15 Cb -0.13 -1.05 0.04 0.00 0.01 0.00 0.00 72.50 71.38 1pqz s THR 15 CO 0.02 0.36 -0.08 -0.22 -0.69 0.00 0.00 174.62 174.01 1pqz s LEU 16 N -0.04 2.06 -0.20 4.42 2.96 0.26 -1.37 118.68 126.78 1pqz s LEU 16 Ca -0.01 -0.84 -0.10 0.00 -0.22 0.00 0.00 54.13 52.96 1pqz s LEU 16 Cb -0.09 -1.11 -0.05 0.00 0.50 0.00 0.00 46.19 45.44 1pqz s LEU 16 CO 0.01 -0.17 0.15 0.68 -1.32 0.00 0.00 176.35 175.70 1pqz s VAL 17 N 1.49 5.39 -0.41 1.68 -7.23 -0.36 -0.06 120.40 120.91 1pqz s VAL 17 Ca -0.01 0.23 -0.11 0.00 -1.81 0.00 0.00 61.98 60.28 1pqz s VAL 17 Cb -0.16 -3.49 0.05 0.00 0.56 0.00 0.00 36.38 33.34 1pqz s VAL 17 CO -0.08 0.43 0.26 -0.69 -0.31 0.00 0.00 175.10 174.71 1pqz s VAL 18 N 0.42 4.54 -0.85 1.32 1.01 0.34 -1.97 120.40 125.22 1pqz s VAL 18 Ca 0.09 -1.10 -0.02 0.00 0.00 0.00 0.00 61.98 60.95 1pqz s VAL 18 Cb -0.11 -3.66 0.35 0.00 0.00 0.00 0.00 36.38 32.95 1pqz s VAL 18 CO -0.01 -0.40 2.03 -0.67 0.00 0.00 0.00 175.10 176.05 1pqz n ASP 19 N 5.00 7.53 -0.47 3.32 2.03 -1.20 -4.65 116.55 128.11 1pqz n ASP 19 Ca -0.11 -3.83 0.37 0.00 0.52 0.00 0.00 54.79 51.74 1pqz n ASP 19 Cb 0.44 -1.07 0.57 0.00 -0.72 0.00 0.00 41.12 40.34 1pqz n ASP 19 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1pqz n GLY 20 N -0.52 -0.73 0.06 0.27 0.00 -1.25 -0.32 105.19 102.70 1pqz n GLY 20 Ca 0.54 0.48 0.04 0.00 0.00 0.00 0.00 46.02 47.08 1pqz n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1pqz n THR 21 N -3.34 1.53 0.00 2.61 -2.24 -1.26 -4.01 114.28 107.57 1pqz n THR 21 Ca 0.31 0.59 0.00 0.00 -2.27 0.00 0.00 64.05 62.68 1pqz n THR 21 Cb 1.49 -1.59 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1pqz n THR 21 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pqz n ALA 22 N -1.56 2.80 0.00 6.98 0.00 0.56 -5.13 120.51 124.16 1pqz n ALA 22 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 1pqz n ALA 22 Cb 0.06 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.51 1pqz n ALA 22 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.50 175.79 1pqz n ASN 23 N -2.20 0.00 0.00 0.00 2.85 -0.98 -5.10 115.26 109.84 1pqz n ASN 23 Ca 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 54.58 54.47 1pqz n ASN 23 Cb 0.00 0.00 0.00 0.00 1.24 0.00 0.00 39.78 41.02 1pqz n ASN 23 CO 0.00 0.00 0.00 0.41 -2.11 0.00 0.00 177.26 175.56 1pqz n THR 24 N 0.00 0.00 -3.57 -0.44 -1.04 -1.26 -3.24 114.28 104.72 1pqz n THR 24 Ca 0.00 0.00 -0.19 0.00 -2.04 0.00 0.00 64.05 61.82 1pqz n THR 24 Cb 0.00 0.00 -0.04 0.00 -1.82 0.00 0.00 70.33 68.47 1pqz n THR 24 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1pqz n ALA 25 N 0.06 -1.61 -1.80 2.41 0.00 -1.16 -4.85 120.51 113.55 1pqz n ALA 25 Ca 0.00 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 1pqz n ALA 25 Cb 0.00 -0.65 -0.06 0.00 0.00 0.00 0.00 19.45 18.75 1pqz n ALA 25 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 1pqz s ARG 26 N -5.57 4.15 0.13 0.00 0.52 -0.83 -4.82 118.95 112.54 1pqz s ARG 26 Ca 0.06 1.26 0.11 0.00 -0.52 0.00 0.00 55.73 56.64 1pqz s ARG 26 Cb -0.04 -2.28 -0.04 0.00 0.52 0.00 0.00 34.95 33.12 1pqz s ARG 26 CO 0.53 -0.12 -0.26 0.00 0.02 0.00 0.00 175.30 175.47 1pqz s PHE 28 N -1.10 -0.67 0.29 0.00 -0.12 -0.47 -4.44 117.98 111.47 1pqz s PHE 28 Ca 0.15 1.55 -0.04 0.00 -0.05 0.00 0.00 56.93 58.54 1pqz s PHE 28 Cb -0.10 0.36 -0.01 0.00 -0.63 0.00 0.00 43.02 42.65 1pqz s PHE 28 CO 0.06 -0.33 0.39 0.20 -0.05 0.00 0.00 175.22 175.50 1pqz s GLY 29 N 0.59 1.35 -0.01 1.99 0.00 -0.59 -0.27 107.32 110.38 1pqz s GLY 29 Ca -0.01 -1.46 -0.03 0.00 0.00 0.00 0.00 44.72 43.21 1pqz s GLY 29 CO -0.07 -1.04 0.07 -0.51 0.00 0.00 0.00 173.10 171.56 1pqz s THR 30 N -3.52 0.05 -0.10 0.90 -4.23 -0.49 -0.75 115.64 107.52 1pqz s THR 30 Ca 0.31 -0.42 -0.02 0.00 -1.18 0.00 0.00 61.69 60.38 1pqz s THR 30 Cb 0.01 -0.25 -0.03 0.00 1.34 0.00 0.00 72.50 73.57 1pqz s THR 30 CO 0.17 -0.23 0.00 -0.83 -0.54 0.00 0.00 174.62 173.19 1pqz s GLY 31 N -0.74 1.85 0.04 3.99 0.00 0.87 -0.88 107.32 112.45 1pqz s GLY 31 Ca -0.08 -0.80 0.03 0.00 0.00 0.00 0.00 44.72 43.87 1pqz s GLY 31 CO 0.00 -0.50 -0.10 0.30 0.00 0.00 0.00 173.10 172.80 1pqz s HIS 32 N -0.74 0.90 -0.23 1.90 3.76 0.17 -1.54 115.29 119.51 1pqz s HIS 32 Ca 0.12 -0.40 0.01 0.00 -0.15 0.00 0.00 55.06 54.64 1pqz s HIS 32 Cb -0.12 -0.53 0.05 0.00 1.11 0.00 0.00 32.58 33.10 1pqz s HIS 32 CO 0.02 -0.01 -0.07 0.08 -0.85 0.00 0.00 174.74 173.90 1pqz s VAL 33 N -1.05 1.63 -1.53 -0.90 1.01 -0.89 -0.89 120.40 117.79 1pqz s VAL 33 Ca -0.04 -1.20 -0.13 0.00 0.00 0.00 0.00 61.98 60.61 1pqz s VAL 33 Cb -0.08 -1.82 0.09 0.00 0.00 0.00 0.00 36.38 34.56 1pqz s VAL 33 CO 0.01 -0.01 0.94 0.47 0.00 0.00 0.00 175.10 176.51 1pqz n ASP 34 N 4.65 -4.32 0.00 3.32 10.43 0.10 -1.52 116.55 129.22 1pqz n ASP 34 Ca -0.13 -0.81 0.00 0.00 2.57 0.00 0.00 54.79 56.42 1pqz n ASP 34 Cb 0.45 -3.76 0.00 0.00 1.84 0.00 0.00 41.12 39.64 1pqz n ASP 34 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1pqz n GLY 35 N -1.66 3.19 3.57 0.44 0.00 -1.22 -4.64 105.19 104.86 1pqz n GLY 35 Ca 0.01 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.62 1pqz n GLY 35 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1pqz s GLU 36 N -0.45 3.71 0.44 1.61 2.56 -0.57 -5.00 118.70 121.01 1pqz s GLU 36 Ca 0.00 -0.02 -0.25 0.00 0.00 0.00 0.00 54.97 54.69 1pqz s GLU 36 Cb 0.00 -3.78 -0.09 0.00 2.00 0.00 0.00 34.13 32.26 1pqz s GLU 36 CO 0.00 -0.62 1.41 0.00 -0.56 0.00 0.00 175.26 175.49 1pqz n ALA 37 N 5.79 1.94 -0.02 6.30 0.00 -1.26 -2.09 120.51 131.17 1pqz n ALA 37 Ca -0.04 0.26 0.00 0.00 0.00 0.00 0.00 53.44 53.66 1pqz n ALA 37 Cb 0.49 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.56 1pqz n ALA 37 CO 0.00 0.00 0.00 1.97 0.00 0.00 0.00 177.50 179.47 1pqz n PHE 38 N -0.18 0.00 -3.71 0.00 1.16 -0.59 -4.28 117.46 109.87 1pqz n PHE 38 Ca 0.05 0.00 -0.12 0.00 -1.87 0.00 0.00 57.45 55.52 1pqz n PHE 38 Cb 0.41 0.00 -0.10 0.00 -1.61 0.00 0.00 39.48 38.18 1pqz n PHE 38 CO 0.00 0.00 0.00 0.54 -1.87 0.00 0.00 176.76 175.43 1pqz s VAL 39 N 0.00 -0.01 0.04 1.97 0.11 -1.22 -1.74 120.40 119.55 1pqz s VAL 39 Ca 0.00 0.04 0.08 0.00 -2.93 0.00 0.00 61.98 59.17 1pqz s VAL 39 Cb 0.00 -0.63 -0.02 0.00 -1.53 0.00 0.00 36.38 34.20 1pqz s VAL 39 CO 0.00 0.02 -0.22 -0.83 -3.33 0.00 0.00 175.10 170.74 1pqz s GLY 40 N 0.84 1.18 -0.10 6.54 0.00 0.69 -0.09 107.32 116.37 1pqz s GLY 40 Ca -0.05 -1.09 -0.01 0.00 0.00 0.00 0.00 44.72 43.57 1pqz s GLY 40 CO -0.07 -1.00 -0.03 -0.47 0.00 0.00 0.00 173.10 171.54 1pqz s TYR 41 N -0.76 1.11 -0.12 1.90 5.04 0.08 -0.35 117.35 124.24 1pqz s TYR 41 Ca 0.09 -0.52 -0.24 0.00 -2.44 0.00 0.00 57.07 53.96 1pqz s TYR 41 Cb -0.09 -1.03 0.06 0.00 0.35 0.00 0.00 41.96 41.24 1pqz s TYR 41 CO 0.01 -0.45 0.58 -1.54 -1.34 0.00 0.00 175.55 172.82 1pqz s SER 42 N 1.83 -0.56 -1.61 4.32 1.04 -1.08 -1.55 113.70 116.10 1pqz s SER 42 Ca 0.04 0.83 0.00 0.00 0.48 0.00 0.00 55.95 57.30 1pqz s SER 42 Cb -0.13 0.81 0.00 0.00 0.10 0.00 0.00 66.02 66.80 1pqz s SER 42 CO -0.07 -0.40 0.00 0.59 0.98 0.00 0.00 173.24 174.34 1pqz n ASN 43 N 1.80 -5.16 -0.35 7.02 3.02 -1.26 -2.77 115.26 117.56 1pqz n ASN 43 Ca -0.17 0.11 -0.05 0.00 -0.03 0.00 0.00 54.58 54.44 1pqz n ASN 43 Cb 0.56 -4.23 -0.02 0.00 -0.61 0.00 0.00 39.78 35.48 1pqz n ASN 43 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pqz n ASN 44 N -1.23 -3.64 -3.94 6.41 3.02 -1.26 -5.03 115.26 109.59 1pqz n ASN 44 Ca -0.20 0.11 -0.11 0.00 -0.03 0.00 0.00 54.58 54.35 1pqz n ASN 44 Cb 0.64 -1.54 -0.13 0.00 -0.61 0.00 0.00 39.78 38.14 1pqz n ASN 44 CO 0.00 0.00 0.00 -0.54 -2.62 0.00 0.00 177.26 174.10 1pqz s LYS 45 N -2.22 0.22 0.08 3.52 1.02 -1.12 -5.05 119.74 116.20 1pqz s LYS 45 Ca 0.00 -0.33 -0.04 0.00 0.02 0.00 0.00 55.97 55.61 1pqz s LYS 45 Cb 0.00 -0.03 -0.05 0.00 -0.52 0.00 0.00 37.83 37.23 1pqz s LYS 45 CO 0.00 -0.00 0.31 0.99 -0.92 0.00 0.00 175.35 175.72 1pqz s THR 46 N -0.72 5.25 -0.00 2.17 2.01 -1.26 -2.62 115.64 120.48 1pqz s THR 46 Ca -0.07 -0.02 -0.06 0.00 0.31 0.00 0.00 61.69 61.85 1pqz s THR 46 Cb -0.05 -3.61 0.00 0.00 0.01 0.00 0.00 72.50 68.85 1pqz s THR 46 CO -0.00 0.16 0.12 -1.38 -0.69 0.00 0.00 174.62 172.83 1pqz s HIS 47 N -1.51 0.04 0.71 4.92 -3.43 0.52 -4.96 115.29 111.58 1pqz s HIS 47 Ca 0.35 -0.11 -0.11 0.00 -0.80 0.00 0.00 55.06 54.39 1pqz s HIS 47 Cb -0.13 -0.05 0.02 0.00 -1.43 0.00 0.00 32.58 30.99 1pqz s HIS 47 CO 0.23 -0.26 1.07 0.20 -2.00 0.00 0.00 174.74 173.98 1pqz s GLY 48 N -1.23 1.70 -0.08 -1.38 0.00 -1.26 -0.22 107.32 104.84 1pqz s GLY 48 Ca -0.13 0.15 -0.07 0.00 0.00 0.00 0.00 44.72 44.67 1pqz s GLY 48 CO 0.01 0.47 0.21 -0.42 0.00 0.00 0.00 173.10 173.37 1pqz s ILE 49 N -2.97 -0.00 0.00 0.90 1.01 -0.71 -4.69 121.20 114.73 1pqz s ILE 49 Ca 0.59 0.02 0.00 0.00 0.00 0.00 0.00 60.65 61.26 1pqz s ILE 49 Cb -0.15 -0.31 0.00 0.00 0.01 0.00 0.00 42.46 42.01 1pqz s ILE 49 CO 0.54 0.01 0.00 0.61 0.00 0.00 0.00 174.94 176.10 1pqz n GLY 50 N 3.11 0.60 0.22 6.18 0.00 -1.26 -3.82 105.19 110.23 1pqz n GLY 50 Ca -0.14 -2.16 0.10 0.00 0.00 0.00 0.00 46.02 43.82 1pqz n GLY 50 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqz n ARG 51 N -0.10 1.01 -0.01 1.61 1.74 -1.26 -4.60 116.66 115.05 1pqz n ARG 51 Ca 0.00 -0.46 0.02 0.00 -0.77 0.00 0.00 57.85 56.64 1pqz n ARG 51 Cb 0.00 -1.41 -0.07 0.00 -1.02 0.00 0.00 32.46 29.96 1pqz n ARG 51 CO 0.00 0.00 0.00 -2.67 -1.52 0.00 0.00 177.63 173.44 1pqz n TRP 52 N -0.76 0.00 -2.29 -1.55 4.27 -1.26 -4.91 117.44 110.94 1pqz n TRP 52 Ca 0.06 0.00 -0.41 0.00 -3.89 0.00 0.00 57.50 53.26 1pqz n TRP 52 Cb 0.36 -0.26 -0.03 0.00 -1.36 0.00 0.00 31.31 30.02 1pqz n TRP 52 CO 0.00 0.00 0.00 0.54 -2.29 0.00 0.00 177.69 175.94 1pqz s VAL 53 N -2.50 3.13 0.47 -1.67 0.11 -1.26 -5.02 120.40 113.65 1pqz s VAL 53 Ca -0.03 1.11 0.05 0.00 -2.93 0.00 0.00 61.98 60.18 1pqz s VAL 53 Cb 0.05 -3.70 -0.02 0.00 -1.53 0.00 0.00 36.38 31.17 1pqz s VAL 53 CO 0.36 0.25 0.19 0.54 -3.33 0.00 0.00 175.10 173.12 1pqz s ASN 54 N -0.55 4.39 0.51 3.54 2.20 -1.26 -4.94 114.94 118.83 1pqz s ASN 54 Ca 0.48 -1.26 0.19 0.00 -0.94 0.00 0.00 52.86 51.32 1pqz s ASN 54 Cb -0.36 -0.01 1.30 0.00 -2.00 0.00 0.00 41.25 40.18 1pqz s ASN 54 CO 0.46 -0.76 2.11 0.00 -2.94 0.00 0.00 177.10 175.97 1pqz h ALA 55 N 1.24 1.76 -0.00 3.54 0.00 -1.99 -1.84 119.26 121.96 1pqz h ALA 55 Ca -0.41 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.43 1pqz h ALA 55 Cb 1.28 -0.01 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 1pqz h ALA 55 CO 0.68 0.09 0.00 0.77 0.00 0.00 0.00 179.25 180.79 1pqz h SER 56 N 0.00 0.01 -0.35 0.00 0.02 -1.99 0.32 113.55 111.56 1pqz h SER 56 Ca -0.00 -0.14 0.00 0.00 -0.84 0.00 0.00 61.79 60.81 1pqz h SER 56 Cb 0.13 -0.00 -0.02 0.00 0.14 0.00 0.00 62.40 62.65 1pqz h SER 56 CO 0.01 0.15 0.23 0.45 -1.14 0.00 0.00 176.83 176.53 1pqz h HIS 57 N -0.14 0.44 -0.07 3.45 3.86 -1.86 -1.25 115.15 119.59 1pqz h HIS 57 Ca 0.00 0.01 0.03 0.00 -1.16 0.00 0.00 60.37 59.25 1pqz h HIS 57 Cb 0.14 -0.15 -0.04 0.00 1.06 0.00 0.00 27.41 28.42 1pqz h HIS 57 CO -0.03 0.28 -0.17 0.28 0.86 0.00 0.00 177.93 179.15 1pqz h VAL 58 N 0.47 0.57 -0.31 2.45 2.07 -1.12 0.38 116.25 120.76 1pqz h VAL 58 Ca 0.13 0.00 0.05 0.00 0.82 0.00 0.00 66.70 67.70 1pqz h VAL 58 Cb -0.05 0.57 -0.04 0.00 -1.52 0.00 0.00 31.29 30.25 1pqz h VAL 58 CO -0.03 0.00 0.03 -0.08 0.02 0.00 0.00 177.57 177.51 1pqz h GLU 59 N -0.25 0.13 -0.39 1.57 4.22 -0.70 0.18 114.58 119.34 1pqz h GLU 59 Ca 0.08 -0.01 0.01 0.00 0.08 0.00 0.00 59.36 59.52 1pqz h GLU 59 Cb 0.35 -0.03 -0.02 0.00 0.50 0.00 0.00 28.75 29.55 1pqz h GLU 59 CO -0.21 0.08 0.25 1.49 -2.18 0.00 0.00 179.01 178.44 1pqz h GLU 60 N 0.13 0.49 -0.40 1.92 4.57 -0.65 -2.05 114.58 118.58 1pqz h GLU 60 Ca 0.15 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.28 1pqz h GLU 60 Cb 0.18 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 28.64 1pqz h GLU 60 CO -0.22 0.32 0.19 0.93 -1.18 0.00 0.00 179.01 179.06 1pqz h GLU 61 N 0.50 0.55 -0.82 1.92 4.39 0.55 -2.75 114.58 118.93 1pqz h GLU 61 Ca 0.15 -0.06 0.06 0.00 0.34 0.00 0.00 59.36 59.85 1pqz h GLU 61 Cb -0.03 -0.11 -0.06 0.00 -0.10 0.00 0.00 28.75 28.45 1pqz h GLU 61 CO -0.05 0.43 0.50 -0.97 -1.16 0.00 0.00 179.01 177.76 1pqz h ASN 62 N 0.55 0.78 -0.45 1.42 -1.24 0.07 -2.48 115.58 114.25 1pqz h ASN 62 Ca 0.14 0.02 0.09 0.00 0.71 0.00 0.00 56.30 57.26 1pqz h ASN 62 Cb 0.06 -0.15 -0.08 0.00 0.73 0.00 0.00 38.32 38.87 1pqz h ASN 62 CO -0.02 0.51 -0.11 0.11 -1.29 0.00 0.00 177.43 176.62 1pqz h LYS 63 N 0.92 -0.00 -0.57 6.67 1.57 -1.43 -1.80 116.57 121.93 1pqz h LYS 63 Ca 0.35 0.00 -0.06 0.00 -1.87 0.00 0.00 60.65 59.08 1pqz h LYS 63 Cb 0.16 0.00 -0.02 0.00 0.08 0.00 0.00 32.23 32.45 1pqz h LYS 63 CO -0.17 -0.00 0.13 1.49 -0.57 0.00 0.00 179.45 180.33 1pqz h GLU 64 N -0.00 0.93 0.06 3.15 4.57 -1.58 -1.74 114.58 119.96 1pqz h GLU 64 Ca 0.21 -0.23 0.02 0.00 -1.18 0.00 0.00 59.36 58.19 1pqz h GLU 64 Cb 0.33 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.76 1pqz h GLU 64 CO -0.46 0.86 -0.23 0.74 -1.18 0.00 0.00 179.01 178.75 1pqz h PHE 65 N 0.83 -0.60 0.03 0.92 0.04 -0.98 0.34 116.94 117.52 1pqz h PHE 65 Ca 0.18 0.02 0.03 0.00 2.80 0.00 0.00 57.97 60.99 1pqz h PHE 65 Cb 0.36 0.26 -0.05 0.00 2.20 0.00 0.00 35.95 38.72 1pqz h PHE 65 CO 0.03 -0.32 -0.35 0.28 -0.60 0.00 0.00 178.31 177.34 1pqz h VAL 66 N -0.39 0.25 -0.02 -0.55 2.07 -1.21 0.22 116.25 116.63 1pqz h VAL 66 Ca 0.04 0.00 0.03 0.00 0.82 0.00 0.00 66.70 67.59 1pqz h VAL 66 Cb 0.44 0.25 -0.04 0.00 -1.52 0.00 0.00 31.29 30.42 1pqz h VAL 66 CO -0.16 0.00 -0.20 -0.09 0.02 0.00 0.00 177.57 177.14 1pqz h ARG 67 N -0.53 -0.30 -0.87 1.57 2.43 -0.99 -1.25 114.38 114.44 1pqz h ARG 67 Ca 0.05 0.02 0.00 0.00 -0.81 0.00 0.00 59.98 59.24 1pqz h ARG 67 Cb 0.60 0.07 -0.04 0.00 -0.42 0.00 0.00 29.97 30.17 1pqz h ARG 67 CO -0.27 -0.20 0.55 0.37 -1.51 0.00 0.00 179.97 178.91 1pqz h GLN 68 N -0.31 1.16 -0.58 0.20 5.75 -0.06 -1.29 115.11 119.98 1pqz h GLN 68 Ca 0.06 -0.09 -0.03 0.00 -0.15 0.00 0.00 58.65 58.44 1pqz h GLN 68 Cb 0.40 -0.25 -0.03 0.00 1.07 0.00 0.00 27.48 28.67 1pqz h GLN 68 CO -0.20 0.79 0.23 0.00 -2.65 0.00 0.00 178.83 177.00 1pqz h LYS 70 N 0.80 0.71 0.00 0.00 2.10 -0.98 -2.10 116.57 117.11 1pqz h LYS 70 Ca 0.19 -0.17 0.00 0.00 -2.00 0.00 0.00 60.65 58.67 1pqz h LYS 70 Cb 0.21 -0.09 0.00 0.00 -0.90 0.00 0.00 32.23 31.44 1pqz h LYS 70 CO -0.02 0.72 0.00 1.49 -2.00 0.00 0.00 179.45 179.64 1pqz h GLU 71 N 0.59 0.00 0.17 0.07 4.81 -0.95 -1.88 114.58 117.39 1pqz h GLU 71 Ca 0.14 0.00 -0.29 0.00 -0.13 0.00 0.00 59.36 59.08 1pqz h GLU 71 Cb 0.33 0.00 0.02 0.00 0.63 0.00 0.00 28.75 29.72 1pqz h GLU 71 CO 0.00 0.00 -1.39 1.25 -0.73 0.00 0.00 179.01 178.14 1pqz h LEU 72 N 0.00 0.57 -1.49 1.64 5.85 -0.57 -2.41 115.31 118.89 1pqz h LEU 72 Ca 0.00 -0.91 -0.04 0.00 0.84 0.00 0.00 57.88 57.77 1pqz h LEU 72 Cb 0.15 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.99 1pqz h LEU 72 CO 0.00 1.64 -0.18 1.56 -0.34 0.00 0.00 178.44 181.12 1pqz h GLN 73 N -0.11 0.00 0.02 1.25 4.20 -0.92 -2.73 115.11 116.82 1pqz h GLN 73 Ca -0.27 0.00 -0.00 0.00 0.06 0.00 0.00 58.65 58.44 1pqz h GLN 73 Cb 1.92 0.00 0.00 0.00 0.30 0.00 0.00 27.48 29.70 1pqz h GLN 73 CO 0.16 0.18 -0.01 0.00 -0.67 0.00 0.00 178.83 178.49 1pqz h ALA 74 N 1.82 -0.02 0.00 3.87 0.00 -1.43 -3.19 119.26 120.31 1pqz h ALA 74 Ca -0.00 -0.27 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1pqz h ALA 74 Cb 0.56 0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1pqz h ALA 74 CO 0.02 -0.03 0.18 0.39 0.00 0.00 0.00 179.25 179.81 1pqz n GLU 75 N -4.71 0.04 -0.04 0.00 -0.58 -0.91 -0.59 120.64 113.84 1pqz n GLU 75 Ca -0.06 0.44 -0.19 0.00 -0.42 0.00 0.00 57.16 56.94 1pqz n GLU 75 Cb 0.26 -1.81 -0.13 0.00 -0.57 0.00 0.00 31.44 29.19 1pqz n GLU 75 CO 0.00 0.00 0.00 1.25 -0.48 0.00 0.00 177.13 177.90 1pqz h LEU 76 N 0.00 0.16 0.06 -4.62 6.46 -1.50 -3.32 115.31 112.55 1pqz h LEU 76 Ca 0.00 -0.83 -0.00 0.00 -0.12 0.00 0.00 57.88 56.93 1pqz h LEU 76 Cb 0.35 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.23 1pqz h LEU 76 CO 0.00 1.34 -0.03 0.44 -0.62 0.00 0.00 178.44 179.57 1pqz h ASP 77 N -0.74 -0.07 0.02 1.25 3.32 -0.84 -2.07 116.42 117.29 1pqz h ASP 77 Ca -0.19 -0.09 0.00 0.00 0.02 0.00 0.00 57.03 56.77 1pqz h ASP 77 Cb 1.36 0.02 0.00 0.00 0.22 0.00 0.00 39.33 40.93 1pqz h ASP 77 CO -0.02 0.05 0.00 0.29 -1.72 0.00 0.00 179.24 177.84 1pqz n LYS 78 N -5.08 0.05 -0.04 3.56 5.02 -1.01 -1.99 118.16 118.66 1pqz n LYS 78 Ca -0.08 0.54 -0.22 0.00 -2.02 0.00 0.00 58.31 56.53 1pqz n LYS 78 Cb 0.10 -1.65 -0.13 0.00 -0.02 0.00 0.00 35.03 33.34 1pqz n LYS 78 CO 0.00 0.00 0.00 -1.33 -0.52 0.00 0.00 177.40 175.55 1pqz n MET 79 N -1.75 0.68 0.00 1.97 2.81 -0.82 -4.07 117.12 115.94 1pqz n MET 79 Ca -0.00 0.40 0.07 0.00 -1.81 0.00 0.00 57.70 56.35 1pqz n MET 79 Cb 0.02 -1.73 0.33 0.00 -0.71 0.00 0.00 33.22 31.13 1pqz n MET 79 CO 0.00 0.00 0.00 1.04 1.51 0.00 0.00 175.97 178.52 1pqz n GLN 80 N -3.90 0.12 -0.14 0.03 6.02 -0.84 -0.42 117.38 118.25 1pqz n GLN 80 Ca -0.32 0.20 0.07 0.00 -0.01 0.00 0.00 57.00 56.94 1pqz n GLN 80 Cb 0.89 -1.50 0.24 0.00 1.02 0.00 0.00 30.24 30.89 1pqz n GLN 80 CO 0.00 0.00 0.00 0.09 -1.01 0.00 0.00 177.06 176.14 1pqz n ASN 81 N -1.37 1.82 0.00 1.08 3.02 -1.11 -2.79 115.26 115.90 1pqz n ASN 81 Ca 0.05 -1.89 0.00 0.00 -0.03 0.00 0.00 54.58 52.71 1pqz n ASN 81 Cb 0.13 -0.19 0.00 0.00 -0.61 0.00 0.00 39.78 39.11 1pqz n ASN 81 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1pqz n ASN 82 N 0.46 0.00 0.00 6.41 3.02 -0.21 -5.11 115.26 119.82 1pqz n ASN 82 Ca 0.13 -1.00 0.00 0.00 -0.03 0.00 0.00 54.58 53.68 1pqz n ASN 82 Cb 0.31 0.00 0.00 0.00 -0.61 0.00 0.00 39.78 39.48 1pqz n ASN 82 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1pqz n SER 83 N 0.00 0.00 0.00 6.41 3.41 0.43 -4.82 113.62 119.06 1pqz n SER 83 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 1pqz n SER 83 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1pqz n SER 83 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pqz n ALA 84 N 12.64 0.00 -3.14 7.33 0.00 -1.26 -3.72 120.51 132.36 1pqz n ALA 84 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 53.44 53.48 1pqz n ALA 84 Cb 0.00 -0.19 -0.00 0.00 0.00 0.00 0.00 19.45 19.26 1pqz n ALA 84 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pqz s VAL 85 N -0.98 -0.84 0.03 0.00 1.01 -1.26 -5.08 120.40 113.28 1pqz s VAL 85 Ca 0.00 0.00 0.04 0.00 0.00 0.00 0.00 61.98 62.02 1pqz s VAL 85 Cb 0.00 -0.63 -0.02 0.00 0.00 0.00 0.00 36.38 35.73 1pqz s VAL 85 CO 0.00 0.00 -0.12 0.27 0.00 0.00 0.00 175.10 175.25 1pqz s ILE 86 N 2.62 0.90 0.00 2.22 -4.36 -1.26 -4.38 121.20 116.94 1pqz s ILE 86 Ca 0.14 -0.87 0.00 0.00 -0.26 0.00 0.00 60.65 59.66 1pqz s ILE 86 Cb -0.07 -0.83 0.00 0.00 1.25 0.00 0.00 42.46 42.81 1pqz s ILE 86 CO -0.21 -0.03 0.00 0.61 0.24 0.00 0.00 174.94 175.55 1pqz n GLY 87 N 2.03 0.55 3.76 6.27 0.00 -1.26 -4.96 105.19 111.59 1pqz n GLY 87 Ca -0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.43 1pqz n GLY 87 CO 0.00 0.00 0.00 -0.62 0.00 0.00 0.00 173.32 172.70 1pqz n VAL 88 N -2.03 2.16 0.17 1.61 0.31 -1.26 -4.92 118.33 114.37 1pqz n VAL 88 Ca 0.00 -0.50 0.03 0.00 -0.01 0.00 0.00 64.34 63.86 1pqz n VAL 88 Cb 0.01 -1.90 -0.04 0.00 -0.91 0.00 0.00 33.84 31.00 1pqz n VAL 88 CO 0.00 0.00 0.00 0.29 -1.32 0.00 0.00 176.83 175.80 1pqz n LYS 89 N 0.32 3.06 -3.72 5.55 5.02 -1.26 -4.74 118.16 122.40 1pqz n LYS 89 Ca 0.02 -0.02 -0.18 0.00 -2.02 0.00 0.00 58.31 56.11 1pqz n LYS 89 Cb 0.39 -0.93 -0.17 0.00 -0.02 0.00 0.00 35.03 34.29 1pqz n LYS 89 CO 0.00 0.00 0.00 0.99 -0.52 0.00 0.00 177.40 177.87 1pqz s THR 90 N -1.92 -0.07 -0.11 -0.18 2.01 -1.26 -0.50 115.64 113.61 1pqz s THR 90 Ca 0.00 0.34 0.03 0.00 0.31 0.00 0.00 61.69 62.38 1pqz s THR 90 Cb 0.04 -0.14 -0.00 0.00 0.01 0.00 0.00 72.50 72.41 1pqz s THR 90 CO 0.26 0.15 -0.22 -0.69 -0.69 0.00 0.00 174.62 173.42 1pqz s VAL 91 N 1.76 2.18 0.03 3.82 1.01 0.92 -0.23 120.40 129.89 1pqz s VAL 91 Ca -0.00 -0.97 0.08 0.00 0.00 0.00 0.00 61.98 61.09 1pqz s VAL 91 Cb -0.12 -1.84 -0.03 0.00 0.00 0.00 0.00 36.38 34.39 1pqz s VAL 91 CO -0.03 0.55 -0.23 -1.10 0.00 0.00 0.00 175.10 174.29 1pqz s GLN 92 N 0.39 1.64 -0.02 2.72 -0.21 -0.05 0.88 119.66 125.02 1pqz s GLN 92 Ca -0.17 -0.99 0.00 0.00 0.02 0.00 0.00 55.36 54.22 1pqz s GLN 92 Cb -0.18 -1.75 0.03 0.00 1.00 0.00 0.00 33.01 32.11 1pqz s GLN 92 CO 0.08 0.46 0.01 -1.17 -2.12 0.00 0.00 175.29 172.54 1pqz s LEU 93 N -1.10 1.20 -0.35 2.90 2.96 0.64 -1.80 118.68 123.13 1pqz s LEU 93 Ca 0.10 0.00 0.03 0.00 -0.22 0.00 0.00 54.13 54.04 1pqz s LEU 93 Cb -0.09 -0.15 0.10 0.00 0.50 0.00 0.00 46.19 46.55 1pqz s LEU 93 CO 0.01 -0.10 0.07 -0.62 -1.32 0.00 0.00 176.35 174.40 1pqz s ASP 94 N 0.95 4.83 -0.99 3.68 2.15 0.09 0.24 116.67 127.62 1pqz s ASP 94 Ca -0.09 -2.15 -0.14 0.00 0.43 0.00 0.00 52.55 50.60 1pqz s ASP 94 Cb -0.12 -1.66 0.20 0.00 -0.30 0.00 0.00 42.92 41.04 1pqz s ASP 94 CO -0.02 -0.40 1.06 0.68 -0.17 0.00 0.00 175.17 176.32 1pqz s VAL 95 N 0.92 5.35 0.00 1.11 -7.23 -0.88 -1.87 120.40 117.80 1pqz s VAL 95 Ca 0.11 -2.46 0.00 0.00 -1.81 0.00 0.00 61.98 57.82 1pqz s VAL 95 Cb -0.20 -4.66 0.00 0.00 0.56 0.00 0.00 36.38 32.08 1pqz s VAL 95 CO -0.07 -1.30 0.00 0.61 -0.31 0.00 0.00 175.10 174.03 1pqz n GLY 96 N 4.14 -2.67 0.00 2.32 0.00 0.21 -3.35 105.19 105.84 1pqz n GLY 96 Ca 0.23 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.94 1pqz n GLY 96 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1pqz n THR 98 N 0.00 0.00 0.26 0.00 5.66 -1.26 -1.35 114.28 117.59 1pqz n THR 98 Ca 0.00 0.00 0.09 0.00 -3.05 0.00 0.00 64.05 61.09 1pqz n THR 98 Cb 0.00 0.00 0.44 0.00 -1.55 0.00 0.00 70.33 69.22 1pqz n THR 98 CO 0.00 0.00 0.00 -0.24 -3.05 0.00 0.00 175.07 171.78 1pqz n SER 99 N 0.00 0.45 -3.61 1.09 2.88 -1.26 -4.69 113.62 108.48 1pqz n SER 99 Ca 0.00 0.66 -0.06 0.00 -1.33 0.00 0.00 58.87 58.14 1pqz n SER 99 Cb 0.00 -0.74 -0.04 0.00 -0.75 0.00 0.00 64.21 62.68 1pqz n SER 99 CO 0.00 0.00 0.00 -1.59 -1.23 0.00 0.00 175.04 172.22 1pqz s LYS 100 N -3.33 0.32 1.15 -1.46 -2.85 -1.26 -5.16 119.74 107.15 1pqz s LYS 100 Ca 0.01 0.06 -0.15 0.00 -1.00 0.00 0.00 55.97 54.89 1pqz s LYS 100 Cb 0.07 0.15 0.21 0.00 -2.06 0.00 0.00 37.83 36.20 1pqz s LYS 100 CO 0.24 -0.10 0.58 -0.89 0.10 0.00 0.00 175.35 175.28 1pqz n ILE 101 N 0.57 0.00 -3.64 3.79 5.41 -1.26 -4.20 119.36 120.03 1pqz n ILE 101 Ca -0.05 -0.38 -0.06 0.00 1.00 0.00 0.00 62.75 63.26 1pqz n ILE 101 Cb 0.58 -0.82 -0.07 0.00 -0.71 0.00 0.00 39.64 38.62 1pqz n ILE 101 CO 0.00 0.00 0.00 -0.70 0.00 0.00 0.00 176.55 175.85 1pqz s GLU 102 N -3.98 0.45 -0.06 0.38 2.12 -1.25 -4.75 118.70 111.60 1pqz s GLU 102 Ca 0.63 0.64 -0.04 0.00 0.36 0.00 0.00 54.97 56.56 1pqz s GLU 102 Cb -0.20 0.16 0.03 0.00 0.26 0.00 0.00 34.13 34.38 1pqz s GLU 102 CO 0.66 -0.07 0.16 0.15 -0.54 0.00 0.00 175.26 175.61 1pqz s LYS 103 N 0.80 0.15 -0.05 4.30 1.02 -1.26 0.65 119.74 125.35 1pqz s LYS 103 Ca -0.03 0.30 -0.06 0.00 0.02 0.00 0.00 55.97 56.20 1pqz s LYS 103 Cb -0.04 -0.03 0.01 0.00 -0.52 0.00 0.00 37.83 37.25 1pqz s LYS 103 CO -0.11 -0.08 0.16 -1.01 -0.92 0.00 0.00 175.35 173.39 1pqz s HIS 104 N 0.57 -0.14 0.37 3.18 3.76 -0.78 -4.93 115.29 117.32 1pqz s HIS 104 Ca -0.04 0.33 0.08 0.00 -0.15 0.00 0.00 55.06 55.29 1pqz s HIS 104 Cb -0.06 0.04 -0.07 0.00 1.11 0.00 0.00 32.58 33.61 1pqz s HIS 104 CO -0.03 -0.12 -0.02 0.71 -0.85 0.00 0.00 174.74 174.43 1pqz s TYR 105 N -0.19 2.48 -0.29 1.40 2.02 -1.26 -0.73 117.35 120.77 1pqz s TYR 105 Ca -0.03 -0.55 -0.14 0.00 -0.37 0.00 0.00 57.07 55.98 1pqz s TYR 105 Cb -0.02 -1.57 0.14 0.00 -0.40 0.00 0.00 41.96 40.10 1pqz s TYR 105 CO 0.00 0.49 0.84 0.00 -1.57 0.00 0.00 175.55 175.32 1pqz s ALA 106 N -2.62 -2.28 -0.23 3.71 0.00 -0.74 -2.36 121.76 117.23 1pqz s ALA 106 Ca 0.34 2.24 -0.06 0.00 0.00 0.00 0.00 51.96 54.48 1pqz s ALA 106 Cb 0.04 -1.78 -0.02 0.00 0.00 0.00 0.00 23.12 21.36 1pqz s ALA 106 CO 0.18 -0.68 0.02 0.71 0.00 0.00 0.00 175.76 175.99 1pqz s TYR 107 N 2.12 3.04 -1.30 0.00 2.02 0.35 -0.87 117.35 122.71 1pqz s TYR 107 Ca -0.07 -0.60 -0.03 0.00 -0.37 0.00 0.00 57.07 56.00 1pqz s TYR 107 Cb -0.07 -2.17 0.01 0.00 -0.40 0.00 0.00 41.96 39.33 1pqz s TYR 107 CO -0.18 -0.41 0.93 -0.25 -1.57 0.00 0.00 175.55 174.07 1pqz n ASP 108 N 4.79 -2.74 0.00 2.29 8.00 0.68 -1.42 116.55 128.14 1pqz n ASP 108 Ca -0.17 -0.69 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1pqz n ASP 108 Cb 0.51 -4.61 0.00 0.00 -0.02 0.00 0.00 41.12 37.00 1pqz n ASP 108 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1pqz n GLY 109 N -1.48 0.99 3.47 0.44 0.00 -1.26 -4.96 105.19 102.38 1pqz n GLY 109 Ca -0.21 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.38 1pqz n GLY 109 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1pqz s ASN 110 N -2.80 6.15 0.76 1.61 0.01 -0.51 -5.02 114.94 115.14 1pqz s ASN 110 Ca 0.00 -0.82 -0.15 0.00 -0.71 0.00 0.00 52.86 51.18 1pqz s ASN 110 Cb 0.00 -2.19 0.02 0.00 0.41 0.00 0.00 41.25 39.49 1pqz s ASN 110 CO 0.00 -0.53 0.95 1.21 -1.51 0.00 0.00 177.10 177.21 1pqz n GLU 111 N 5.39 0.36 0.00 -0.60 2.13 -1.26 -0.50 120.64 126.16 1pqz n GLU 111 Ca -0.09 0.18 0.00 0.00 0.66 0.00 0.00 57.16 57.91 1pqz n GLU 111 Cb 0.47 -2.21 0.00 0.00 0.27 0.00 0.00 31.44 29.97 1pqz n GLU 111 CO 0.00 0.00 0.00 0.25 -0.41 0.00 0.00 177.13 176.97 1pqz n THR 112 N -2.76 0.00 -4.02 6.31 -2.24 -1.00 -4.79 114.28 105.79 1pqz n THR 112 Ca 0.12 0.00 -0.30 0.00 -2.27 0.00 0.00 64.05 61.61 1pqz n THR 112 Cb 0.50 0.00 -0.06 0.00 -2.10 0.00 0.00 70.33 68.67 1pqz n THR 112 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 1pqz s GLU 113 N 0.65 3.04 -0.46 -0.78 2.12 -1.26 -5.03 118.70 116.98 1pqz s GLU 113 Ca 0.00 -0.65 0.05 0.00 0.36 0.00 0.00 54.97 54.73 1pqz s GLU 113 Cb 0.00 -2.80 0.42 0.00 0.26 0.00 0.00 34.13 32.01 1pqz s GLU 113 CO 0.00 0.56 1.17 -0.25 -0.54 0.00 0.00 175.26 176.20 1pqz n ASP 114 N 0.28 4.88 -4.83 -1.70 8.00 -1.26 -4.40 116.55 117.52 1pqz n ASP 114 Ca -0.08 -3.73 -0.29 0.00 0.71 0.00 0.00 54.79 51.41 1pqz n ASP 114 Cb 0.52 -0.49 0.10 0.00 -0.02 0.00 0.00 41.12 41.23 1pqz n ASP 114 CO 0.00 0.00 0.00 1.51 -0.39 0.00 0.00 177.20 178.32 1pqz s ASP 115 N -3.40 4.38 -0.43 -2.24 -4.77 -1.26 -5.04 116.67 103.90 1pqz s ASP 115 Ca 0.48 0.72 0.10 0.00 -3.30 0.00 0.00 52.55 50.56 1pqz s ASP 115 Cb 0.40 -1.17 0.36 0.00 -1.09 0.00 0.00 42.92 41.42 1pqz s ASP 115 CO -0.19 -1.98 0.84 0.35 0.70 0.00 0.00 175.17 174.89 1pqz n THR 116 N -3.35 1.08 -1.72 2.11 -2.24 -1.26 -5.01 114.28 103.89 1pqz n THR 116 Ca 0.09 -4.76 -0.43 0.00 -2.27 0.00 0.00 64.05 56.68 1pqz n THR 116 Cb 0.61 -0.57 -0.03 0.00 -2.10 0.00 0.00 70.33 68.24 1pqz n THR 116 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1pqz n ALA 117 N 0.04 2.44 -2.80 6.98 0.00 -1.26 -4.95 120.51 120.96 1pqz n ALA 117 Ca 0.26 0.40 -0.33 0.00 0.00 0.00 0.00 53.44 53.76 1pqz n ALA 117 Cb 0.59 -2.46 -0.07 0.00 0.00 0.00 0.00 19.45 17.51 1pqz n ALA 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 177.50 178.49 1pqz s THR 118 N 0.59 4.86 -0.27 0.00 2.01 -1.26 -5.09 115.64 116.48 1pqz s THR 118 Ca 0.71 -0.36 -0.24 0.00 0.31 0.00 0.00 61.69 62.11 1pqz s THR 118 Cb -0.53 -3.23 0.08 0.00 0.01 0.00 0.00 72.50 68.83 1pqz s THR 118 CO 0.41 0.35 0.74 -0.94 -0.69 0.00 0.00 174.62 174.49 1pqz s SER 119 N -1.76 -0.75 -1.23 3.53 1.04 -1.26 -4.94 113.70 108.33 1pqz s SER 119 Ca 0.23 1.41 -0.04 0.00 0.48 0.00 0.00 55.95 58.03 1pqz s SER 119 Cb -0.12 1.41 -0.01 0.00 0.10 0.00 0.00 66.02 67.40 1pqz s SER 119 CO 0.15 -0.24 0.77 0.00 0.98 0.00 0.00 173.24 174.90 1pqz n ALA 120 N 2.86 -2.16 -1.78 5.32 0.00 -1.26 -4.88 120.51 118.61 1pqz n ALA 120 Ca -0.15 -0.13 -0.41 0.00 0.00 0.00 0.00 53.44 52.76 1pqz n ALA 120 Cb 0.56 -2.86 -0.01 0.00 0.00 0.00 0.00 19.45 17.14 1pqz n ALA 120 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1pqz s SER 121 N -4.09 6.45 0.00 0.00 1.04 -1.26 -0.89 113.70 114.95 1pqz s SER 121 Ca 0.14 2.95 0.00 0.00 0.48 0.00 0.00 55.95 59.51 1pqz s SER 121 Cb -0.03 -2.66 0.00 0.00 0.10 0.00 0.00 66.02 63.43 1pqz s SER 121 CO 0.80 -0.79 0.00 1.21 0.98 0.00 0.00 173.24 175.44 1pqz n GLU 122 N 0.74 0.00 0.00 4.02 2.13 -1.26 -4.76 120.64 121.51 1pqz n GLU 122 Ca 0.01 0.00 0.07 0.00 0.66 0.00 0.00 57.16 57.90 1pqz n GLU 122 Cb 0.40 -3.07 0.37 0.00 0.27 0.00 0.00 31.44 29.42 1pqz n GLU 122 CO 0.00 0.00 0.00 -2.13 -0.41 0.00 0.00 177.13 174.59 1pqz n ARG 123 N -2.00 0.33 0.09 5.31 0.63 -0.07 0.88 116.66 121.83 1pqz n ARG 123 Ca 0.00 0.06 -0.06 0.00 -0.92 0.00 0.00 57.85 56.93 1pqz n ARG 123 Cb 0.00 -1.50 0.07 0.00 0.45 0.00 0.00 32.46 31.48 1pqz n ARG 123 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1pqz h ALA 124 N 2.76 0.71 0.00 5.13 0.00 -1.86 0.53 119.26 126.54 1pqz h ALA 124 Ca 0.00 -0.63 0.00 0.00 0.00 0.00 0.00 54.91 54.28 1pqz h ALA 124 Cb 0.05 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 17.75 1pqz h ALA 124 CO 0.00 0.82 0.00 -0.09 0.00 0.00 0.00 179.25 179.98 1pqz h ARG 125 N 0.13 0.00 0.00 0.00 2.43 0.10 0.45 114.38 117.49 1pqz h ARG 125 Ca -0.02 0.00 -0.05 0.00 -0.81 0.00 0.00 59.98 59.09 1pqz h ARG 125 Cb 1.29 0.00 -0.01 0.00 -0.42 0.00 0.00 29.97 30.83 1pqz h ARG 125 CO 0.11 0.00 -0.37 -0.44 -1.51 0.00 0.00 179.97 177.76 1pqz h ASP 126 N 0.00 0.00 -0.38 -3.80 3.32 -1.14 -2.75 116.42 111.66 1pqz h ASP 126 Ca 0.00 -0.49 -0.02 0.00 0.02 0.00 0.00 57.03 56.54 1pqz h ASP 126 Cb 0.47 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.00 1pqz h ASP 126 CO 0.00 0.96 0.19 0.00 -1.72 0.00 0.00 179.24 178.67 1pqz h GLN 128 N 0.60 -0.01 -0.25 0.00 5.75 -0.20 0.34 115.11 121.34 1pqz h GLN 128 Ca 0.15 0.00 -0.10 0.00 -0.15 0.00 0.00 58.65 58.55 1pqz h GLN 128 Cb 0.10 0.00 -0.01 0.00 1.07 0.00 0.00 27.48 28.63 1pqz h GLN 128 CO -0.02 -0.01 -0.26 1.57 -2.65 0.00 0.00 178.83 177.47 1pqz h LYS 129 N -0.01 0.48 -0.26 1.69 2.10 -1.12 -2.34 116.57 117.11 1pqz h LYS 129 Ca 0.04 -0.18 -0.09 0.00 -2.00 0.00 0.00 60.65 58.42 1pqz h LYS 129 Cb 0.07 -0.03 -0.01 0.00 -0.90 0.00 0.00 32.23 31.36 1pqz h LYS 129 CO -0.08 0.70 -0.21 -0.22 -2.00 0.00 0.00 179.45 177.64 1pqz h LYS 130 N 0.42 0.47 -0.46 0.07 3.64 -0.47 -1.77 116.57 118.48 1pqz h LYS 130 Ca 0.06 -0.16 -0.03 0.00 -1.27 0.00 0.00 60.65 59.26 1pqz h LYS 130 Cb 0.68 -0.04 -0.02 0.00 -0.41 0.00 0.00 32.23 32.44 1pqz h LYS 130 CO 0.05 0.65 0.19 1.25 -2.27 0.00 0.00 179.45 179.32 1pqz h LEU 131 N 0.42 0.64 -0.26 5.20 5.85 0.17 0.99 115.31 128.31 1pqz h LEU 131 Ca 0.07 -0.17 -0.00 0.00 0.84 0.00 0.00 57.88 58.62 1pqz h LEU 131 Cb 0.60 -0.16 -0.01 0.00 0.37 0.00 0.00 40.66 41.45 1pqz h LEU 131 CO 0.04 0.63 0.16 0.74 -0.34 0.00 0.00 178.44 179.67 1pqz h THR 132 N 0.60 1.09 -0.37 1.05 2.02 -0.98 0.04 112.91 116.36 1pqz h THR 132 Ca 0.15 -0.20 -0.05 0.00 0.77 0.00 0.00 66.41 67.09 1pqz h THR 132 Cb 0.19 0.74 -0.01 0.00 -1.74 0.00 0.00 68.15 67.33 1pqz h THR 132 CO -0.01 0.09 0.03 1.05 0.37 0.00 0.00 175.52 177.04 1pqz h GLU 133 N 0.34 0.63 -0.41 6.66 4.11 -1.12 -2.91 114.58 121.88 1pqz h GLU 133 Ca 0.10 -0.19 0.02 0.00 0.07 0.00 0.00 59.36 59.36 1pqz h GLU 133 Cb -0.00 -0.06 -0.03 0.00 0.50 0.00 0.00 28.75 29.16 1pqz h GLU 133 CO -0.02 0.72 0.24 1.88 0.07 0.00 0.00 179.01 181.90 1pqz h TYR 134 N 0.46 0.45 -0.39 2.06 0.05 -0.56 -1.91 116.97 117.13 1pqz h TYR 134 Ca 0.11 0.01 0.07 0.00 0.05 0.00 0.00 58.73 58.97 1pqz h TYR 134 Cb 0.42 -0.15 -0.02 0.00 1.01 0.00 0.00 36.73 37.99 1pqz h TYR 134 CO 0.03 0.26 0.27 0.00 -1.05 0.00 0.00 178.16 177.68 1pqz h ARG 135 N 0.49 0.23 -0.00 4.88 3.08 -0.93 -0.72 114.38 121.41 1pqz h ARG 135 Ca 0.16 -0.01 -0.00 0.00 0.07 0.00 0.00 59.98 60.20 1pqz h ARG 135 Cb 0.01 -0.05 -0.00 0.00 0.08 0.00 0.00 29.97 30.01 1pqz h ARG 135 CO -0.08 0.15 -0.00 0.87 -1.07 0.00 0.00 179.97 179.84 1pqz h LYS 136 N 0.23 0.01 -1.00 0.04 1.57 -1.16 -2.72 116.57 113.55 1pqz h LYS 136 Ca 0.18 -0.00 0.06 0.00 -1.87 0.00 0.00 60.65 59.01 1pqz h LYS 136 Cb 0.40 -0.00 -0.06 0.00 0.08 0.00 0.00 32.23 32.65 1pqz h LYS 136 CO -0.03 0.38 0.65 -0.07 -0.57 0.00 0.00 179.45 179.80 1pqz h LEU 137 N -0.36 1.04 0.14 2.94 3.38 -0.96 -2.62 115.31 118.86 1pqz h LEU 137 Ca 0.00 0.01 0.02 0.00 0.09 0.00 0.00 57.88 57.99 1pqz h LEU 137 Cb 0.38 -0.22 -0.04 0.00 0.09 0.00 0.00 40.66 40.87 1pqz h LEU 137 CO 0.00 0.67 -0.30 0.58 0.09 0.00 0.00 178.44 179.48 1pqz h VAL 138 N 1.19 0.35 -1.02 1.22 2.07 -1.08 -2.38 116.25 116.60 1pqz h VAL 138 Ca 0.42 0.00 0.25 0.00 0.82 0.00 0.00 66.70 68.19 1pqz h VAL 138 Cb 0.14 0.35 -0.10 0.00 -1.52 0.00 0.00 31.29 30.16 1pqz h VAL 138 CO -0.16 0.00 0.64 -0.07 0.02 0.00 0.00 177.57 178.00 1pqz h LEU 139 N -0.53 0.53 -0.18 2.57 3.38 -1.15 0.99 115.31 120.92 1pqz h LEU 139 Ca 0.03 0.09 0.00 0.00 0.09 0.00 0.00 57.88 58.09 1pqz h LEU 139 Cb 0.56 0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.31 1pqz h LEU 139 CO -0.17 0.11 0.00 0.00 0.09 0.00 0.00 178.44 178.48 1pqz h ALA 140 N 1.65 1.00 -0.29 1.53 0.00 -1.35 -3.24 119.26 118.55 1pqz h ALA 140 Ca 0.60 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.51 1pqz h ALA 140 Cb 1.36 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.15 1pqz h ALA 140 CO -0.34 0.00 0.00 -1.13 0.00 0.00 0.00 179.25 177.78 1pqz n SER 141 N -2.45 2.04 -4.55 0.00 3.41 0.34 -4.98 113.62 107.43 1pqz n SER 141 Ca 0.05 -1.86 -0.41 0.00 -0.26 0.00 0.00 58.87 56.39 1pqz n SER 141 Cb 0.41 -0.19 0.02 0.00 -0.26 0.00 0.00 64.21 64.19 1pqz n SER 141 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1pqz n ALA 142 N 0.58 -0.42 -3.85 7.33 0.00 -1.23 -4.80 120.51 118.13 1pqz n ALA 142 Ca 0.15 0.17 -0.28 0.00 0.00 0.00 0.00 53.44 53.49 1pqz n ALA 142 Cb 0.36 -1.98 -0.16 0.00 0.00 0.00 0.00 19.45 17.67 1pqz n ALA 142 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1pqz s VAL 143 N -1.38 1.00 0.35 0.00 1.01 0.24 -4.94 120.40 116.68 1pqz s VAL 143 Ca 0.65 -0.70 -0.28 0.00 0.00 0.00 0.00 61.98 61.65 1pqz s VAL 143 Cb -0.55 -1.29 -0.11 0.00 0.00 0.00 0.00 36.38 34.43 1pqz s VAL 143 CO 0.56 -0.00 1.46 -0.55 0.00 0.00 0.00 175.10 176.56 1pqz s SER 144 N 1.66 6.45 0.53 3.32 0.15 -1.14 -1.54 113.70 123.14 1pqz s SER 144 Ca -0.01 2.95 -0.17 0.00 0.70 0.00 0.00 55.95 59.41 1pqz s SER 144 Cb -0.16 -2.66 -0.07 0.00 -1.71 0.00 0.00 66.02 61.42 1pqz s SER 144 CO -0.07 -0.80 1.02 -2.16 1.20 0.00 0.00 173.24 172.43 1pqz s PRO 145 N -1.80 3.70 -0.24 5.44 0.04 -1.26 -4.63 135.00 136.25 1pqz s PRO 145 Ca 0.53 1.15 -0.16 0.00 0.04 0.00 0.00 61.00 62.57 1pqz s PRO 145 Cb -0.45 -2.09 -0.04 0.00 0.04 0.00 0.00 34.50 31.96 1pqz s PRO 145 CO 0.59 -0.49 0.42 -0.65 0.04 0.00 0.00 177.00 176.90 1pqz s GLN 146 N -3.81 4.10 -0.16 4.56 -0.21 -0.21 -4.86 119.66 119.08 1pqz s GLN 146 Ca 0.63 0.18 -0.05 0.00 0.02 0.00 0.00 55.36 56.14 1pqz s GLN 146 Cb -0.14 -3.60 -0.03 0.00 1.00 0.00 0.00 33.01 30.24 1pqz s GLN 146 CO 0.29 -0.18 -0.00 -0.51 -2.12 0.00 0.00 175.29 172.76 1pqz s LEU 147 N 1.78 3.45 0.01 2.90 1.43 -1.26 -0.48 118.68 126.50 1pqz s LEU 147 Ca 0.18 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.24 1pqz s LEU 147 Cb -0.15 -1.84 -0.01 0.00 0.03 0.00 0.00 46.19 44.21 1pqz s LEU 147 CO 0.09 0.19 -0.02 -1.61 0.23 0.00 0.00 176.35 175.23 1pqz s GLU 148 N 0.27 0.20 -0.19 1.70 0.41 -0.43 -5.00 118.70 115.66 1pqz s GLU 148 Ca -0.01 -0.38 -0.02 0.00 -0.41 0.00 0.00 54.97 54.15 1pqz s GLU 148 Cb -0.13 0.06 -0.01 0.00 -1.78 0.00 0.00 34.13 32.27 1pqz s GLU 148 CO 0.02 -0.03 -0.10 0.08 -0.49 0.00 0.00 175.26 174.75 1pqz s VAL 149 N -0.91 3.05 -0.13 2.63 1.01 -1.26 -0.05 120.40 124.74 1pqz s VAL 149 Ca -0.10 -0.62 -0.05 0.00 0.00 0.00 0.00 61.98 61.21 1pqz s VAL 149 Cb -0.06 -2.34 -0.04 0.00 0.00 0.00 0.00 36.38 33.94 1pqz s VAL 149 CO -0.01 0.47 0.05 -1.61 0.00 0.00 0.00 175.10 174.01 1pqz s GLU 150 N 1.12 3.43 -0.13 2.72 2.02 0.19 -4.71 118.70 123.34 1pqz s GLU 150 Ca 0.01 -0.32 -0.01 0.00 0.02 0.00 0.00 54.97 54.67 1pqz s GLU 150 Cb -0.14 -3.03 -0.02 0.00 0.10 0.00 0.00 34.13 31.04 1pqz s GLU 150 CO -0.02 0.57 -0.10 0.50 0.02 0.00 0.00 175.26 176.23 1pqz s ARG 151 N -0.49 3.42 -0.02 1.61 3.52 -1.26 -0.15 118.95 125.58 1pqz s ARG 151 Ca 0.10 -0.63 0.02 0.00 -0.13 0.00 0.00 55.73 55.08 1pqz s ARG 151 Cb -0.12 -2.70 0.00 0.00 -1.56 0.00 0.00 34.95 30.57 1pqz s ARG 151 CO 0.02 0.25 -0.05 0.50 -0.81 0.00 0.00 175.30 175.21 1pqz s ARG 152 N 0.27 0.55 0.25 5.12 6.06 -0.24 -4.96 118.95 125.99 1pqz s ARG 152 Ca -0.07 -0.16 -0.30 0.00 -2.50 0.00 0.00 55.73 52.70 1pqz s ARG 152 Cb -0.15 -0.56 -0.10 0.00 0.06 0.00 0.00 34.95 34.20 1pqz s ARG 152 CO 0.05 0.05 1.42 0.45 -2.50 0.00 0.00 175.30 174.77 1pqz s SER 153 N 0.22 6.68 -0.12 -2.12 0.15 -1.26 0.10 113.70 117.35 1pqz s SER 153 Ca -0.02 2.64 -0.06 0.00 0.70 0.00 0.00 55.95 59.21 1pqz s SER 153 Cb -0.06 -2.62 0.05 0.00 -1.71 0.00 0.00 66.02 61.68 1pqz s SER 153 CO -0.00 -0.68 0.27 -0.55 1.20 0.00 0.00 173.24 173.48 1pqz s SER 154 N 0.31 -0.11 0.00 5.45 0.15 -0.98 -4.75 113.70 113.77 1pqz s SER 154 Ca 0.58 0.59 0.00 0.00 0.70 0.00 0.00 55.95 57.83 1pqz s SER 154 Cb -0.41 0.55 0.00 0.00 -1.71 0.00 0.00 66.02 64.45 1pqz s SER 154 CO 0.43 -0.19 0.00 0.61 1.20 0.00 0.00 173.24 175.29 1pqz n GLY 155 N 4.59 -0.13 0.74 9.45 0.00 -1.26 -3.56 105.19 115.02 1pqz n GLY 155 Ca -0.19 -1.83 0.12 0.00 0.00 0.00 0.00 46.02 44.12 1pqz n GLY 155 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1pqz n ARG 156 N -0.08 1.89 -1.37 1.61 1.74 -1.26 -4.49 116.66 114.71 1pqz n ARG 156 Ca 0.00 -1.48 -0.23 0.00 -0.77 0.00 0.00 57.85 55.37 1pqz n ARG 156 Cb 0.00 -1.47 0.11 0.00 -1.02 0.00 0.00 32.46 30.08 1pqz n ARG 156 CO 0.00 0.00 0.00 0.39 -1.52 0.00 0.00 177.63 176.50 1pqz n GLU 157 N 0.74 2.65 -0.44 5.56 4.71 -1.26 -4.90 120.64 127.70 1pqz n GLU 157 Ca 0.14 -3.46 0.00 0.00 -0.01 0.00 0.00 57.16 53.83 1pqz n GLU 157 Cb 0.51 -2.15 0.00 0.00 -1.01 0.00 0.00 31.44 28.79 1pqz n GLU 157 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1pqz n GLY 158 N -0.95 1.85 3.34 0.62 0.00 -1.26 -4.71 105.19 104.08 1pqz n GLY 158 Ca 0.50 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.19 1pqz n GLY 158 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqz n GLY 159 N -2.00 -2.30 3.11 -0.02 0.00 -1.23 -2.72 105.19 100.03 1pqz n GLY 159 Ca 0.00 -0.76 -0.12 0.00 0.00 0.00 0.00 46.02 45.13 1pqz n GLY 159 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1pqz s MET 160 N -3.51 0.34 -0.21 1.61 -1.94 0.26 -2.32 119.30 113.54 1pqz s MET 160 Ca 0.56 0.09 -0.09 0.00 -1.71 0.00 0.00 55.69 54.54 1pqz s MET 160 Cb -0.16 0.16 -0.05 0.00 2.01 0.00 0.00 34.83 36.79 1pqz s MET 160 CO 0.67 -0.06 0.11 0.50 -0.01 0.00 0.00 175.02 176.23 1pqz s ARG 161 N -0.37 4.06 -0.25 2.03 3.52 0.28 -0.74 118.95 127.48 1pqz s ARG 161 Ca -0.05 -0.29 -0.08 0.00 -0.13 0.00 0.00 55.73 55.18 1pqz s ARG 161 Cb -0.03 -3.37 -0.03 0.00 -1.56 0.00 0.00 34.95 29.95 1pqz s ARG 161 CO 0.01 0.21 0.09 -0.51 -0.81 0.00 0.00 175.30 174.29 1pqz s LEU 162 N 0.60 3.57 -0.23 -0.88 1.43 0.23 -1.08 118.68 122.32 1pqz s LEU 162 Ca 0.06 -0.15 -0.05 0.00 -1.03 0.00 0.00 54.13 52.96 1pqz s LEU 162 Cb -0.12 -1.96 -0.01 0.00 0.03 0.00 0.00 46.19 44.13 1pqz s LEU 162 CO 0.01 -0.02 -0.02 -0.60 0.23 0.00 0.00 176.35 175.95 1pqz s ARG 163 N 1.54 3.42 -0.26 1.70 3.52 0.79 -1.12 118.95 128.54 1pqz s ARG 163 Ca 0.06 -0.60 -0.13 0.00 -0.13 0.00 0.00 55.73 54.93 1pqz s ARG 163 Cb -0.15 -3.08 -0.04 0.00 -1.56 0.00 0.00 34.95 30.11 1pqz s ARG 163 CO 0.05 -0.20 0.29 0.00 -0.81 0.00 0.00 175.30 174.62 1pqz s PHE 165 N 1.73 2.60 -0.24 0.00 0.08 0.92 -1.74 117.98 121.34 1pqz s PHE 165 Ca 0.12 -0.51 0.02 0.00 0.12 0.00 0.00 56.93 56.68 1pqz s PHE 165 Cb -0.15 -1.66 0.05 0.00 -0.57 0.00 0.00 43.02 40.69 1pqz s PHE 165 CO 0.09 -0.08 -0.13 0.00 -0.10 0.00 0.00 175.22 175.01 1pqz s ALA 166 N -0.26 2.52 0.32 5.36 0.00 -0.01 -1.31 121.76 128.38 1pqz s ALA 166 Ca 0.00 -1.63 0.09 0.00 0.00 0.00 0.00 51.96 50.42 1pqz s ALA 166 Cb -0.13 -1.50 -0.05 0.00 0.00 0.00 0.00 23.12 21.44 1pqz s ALA 166 CO 0.03 -0.99 -0.02 1.03 0.00 0.00 0.00 175.76 175.81 1pqz s ARG 167 N 1.15 2.06 -1.42 0.00 0.52 0.36 -1.57 118.95 120.04 1pqz s ARG 167 Ca -0.05 -1.71 -0.07 0.00 -0.52 0.00 0.00 55.73 53.38 1pqz s ARG 167 Cb -0.18 -1.94 0.01 0.00 0.52 0.00 0.00 34.95 33.35 1pqz s ARG 167 CO -0.07 0.19 0.29 -0.25 0.02 0.00 0.00 175.30 175.49 1pqz n ASP 168 N -0.90 -0.63 -4.48 0.23 10.43 -0.41 -1.04 116.55 119.76 1pqz n ASP 168 Ca -0.05 -1.17 -0.24 0.00 2.57 0.00 0.00 54.79 55.90 1pqz n ASP 168 Cb 0.62 -2.22 -0.10 0.00 1.84 0.00 0.00 41.12 41.25 1pqz n ASP 168 CO 0.00 0.00 0.00 -0.72 -1.07 0.00 0.00 177.20 175.41 1pqz s TYR 169 N -4.06 2.22 -0.27 1.24 -0.85 -0.91 -4.60 117.35 110.13 1pqz s TYR 169 Ca 0.10 -0.46 -0.24 0.00 -0.52 0.00 0.00 57.07 55.94 1pqz s TYR 169 Cb -0.05 -1.12 0.07 0.00 0.38 0.00 0.00 41.96 41.24 1pqz s TYR 169 CO 0.95 0.57 0.73 -0.47 -1.52 0.00 0.00 175.55 175.81 1pqz s TYR 170 N -2.66 -0.79 1.08 -3.49 5.04 -0.59 -0.63 117.35 115.31 1pqz s TYR 170 Ca 0.30 1.91 -0.18 0.00 -2.44 0.00 0.00 57.07 56.66 1pqz s TYR 170 Cb -0.01 0.29 0.26 0.00 0.35 0.00 0.00 41.96 42.85 1pqz s TYR 170 CO 0.14 -0.38 1.28 -1.25 -1.34 0.00 0.00 175.55 174.00 1pqz s PRO 171 N 0.45 -0.30 0.10 4.97 0.04 -1.26 0.80 135.00 139.79 1pqz s PRO 171 Ca -0.00 -0.44 -0.27 0.00 0.04 0.00 0.00 61.00 60.33 1pqz s PRO 171 Cb -0.05 -1.74 -0.13 0.00 0.04 0.00 0.00 34.50 32.63 1pqz s PRO 171 CO -0.00 -3.04 1.67 0.00 0.04 0.00 0.00 177.00 175.67 1pqz h ALA 172 N -2.09 -0.37 -1.24 8.56 0.00 -1.96 -3.43 119.26 118.72 1pqz h ALA 172 Ca -0.43 -0.06 -0.62 0.00 0.00 0.00 0.00 54.91 53.80 1pqz h ALA 172 Cb 1.23 0.24 -0.02 0.00 0.00 0.00 0.00 17.79 19.25 1pqz h ALA 172 CO 0.30 -0.73 1.48 -3.47 0.00 0.00 0.00 179.25 176.83 1pqz n ASP 173 N -5.30 2.24 -3.74 0.00 4.64 -1.26 -4.86 116.55 108.27 1pqz n ASP 173 Ca -0.08 0.25 -0.14 0.00 -1.38 0.00 0.00 54.79 53.44 1pqz n ASP 173 Cb 0.21 -1.33 -0.14 0.00 -1.04 0.00 0.00 41.12 38.81 1pqz n ASP 173 CO 0.00 0.00 0.00 -0.22 -0.82 0.00 0.00 177.20 176.16 1pqz s LEU 174 N 8.21 0.66 -0.09 -2.67 2.96 -1.26 -4.31 118.68 122.18 1pqz s LEU 174 Ca 1.08 0.30 -0.27 0.00 -0.22 0.00 0.00 54.13 55.02 1pqz s LEU 174 Cb -0.70 0.36 -0.02 0.00 0.50 0.00 0.00 46.19 46.32 1pqz s LEU 174 CO 0.44 -0.16 0.89 -0.70 -1.32 0.00 0.00 176.35 175.50 1pqz s GLU 175 N 1.25 4.43 -0.06 1.98 2.12 -0.07 -4.95 118.70 123.39 1pqz s GLU 175 Ca -0.08 1.19 -0.03 0.00 0.36 0.00 0.00 54.97 56.41 1pqz s GLU 175 Cb -0.12 -3.51 0.04 0.00 0.26 0.00 0.00 34.13 30.80 1pqz s GLU 175 CO -0.06 -0.17 0.11 -1.50 -0.54 0.00 0.00 175.26 173.10 1pqz s ILE 176 N 1.55 -0.17 -0.04 -3.70 2.07 -1.26 -1.82 121.20 117.83 1pqz s ILE 176 Ca 0.44 0.36 -0.11 0.00 -1.41 0.00 0.00 60.65 59.93 1pqz s ILE 176 Cb -0.18 -0.22 0.02 0.00 0.13 0.00 0.00 42.46 42.21 1pqz s ILE 176 CO 0.19 0.15 0.26 -0.13 -1.91 0.00 0.00 174.94 173.50 1pqz s ARG 177 N 2.05 0.50 0.06 3.50 0.52 -0.79 -4.96 118.95 119.84 1pqz s ARG 177 Ca 0.02 -0.03 -0.19 0.00 -0.52 0.00 0.00 55.73 55.01 1pqz s ARG 177 Cb -0.12 0.23 -0.07 0.00 0.52 0.00 0.00 34.95 35.51 1pqz s ARG 177 CO -0.04 -0.12 0.55 -1.58 0.02 0.00 0.00 175.30 174.13 1pqz s TRP 178 N -0.81 3.80 0.09 -0.53 0.52 -1.26 -1.22 118.94 119.52 1pqz s TRP 178 Ca -0.09 1.24 0.06 0.00 0.02 0.00 0.00 56.10 57.33 1pqz s TRP 178 Cb -0.05 -2.47 -0.03 0.00 -1.15 0.00 0.00 33.47 29.77 1pqz s TRP 178 CO 0.02 0.60 -0.16 -1.58 0.02 0.00 0.00 176.95 175.85 1pqz s TRP 179 N -1.11 1.39 -0.11 -1.98 0.52 0.10 -1.24 118.94 116.52 1pqz s TRP 179 Ca 0.28 -0.46 0.01 0.00 0.02 0.00 0.00 56.10 55.95 1pqz s TRP 179 Cb -0.19 -0.77 0.02 0.00 -1.15 0.00 0.00 33.47 31.38 1pqz s TRP 179 CO 0.18 0.11 -0.12 0.21 0.02 0.00 0.00 176.95 177.35 1pqz s LYS 180 N -1.89 1.91 0.35 4.98 2.20 -0.22 -0.45 119.74 126.63 1pqz s LYS 180 Ca 0.01 -0.44 -0.28 0.00 -0.36 0.00 0.00 55.97 54.91 1pqz s LYS 180 Cb -0.09 -1.73 -0.10 0.00 -1.51 0.00 0.00 37.83 34.39 1pqz s LYS 180 CO 0.03 -0.14 1.37 -0.51 -0.36 0.00 0.00 175.35 175.74 1pqz s ASP 181 N 1.23 6.58 0.00 1.43 -0.00 -0.73 -0.85 116.67 124.33 1pqz s ASP 181 Ca -0.03 2.82 0.23 0.00 -0.00 0.00 0.00 52.55 55.57 1pqz s ASP 181 Cb -0.14 -2.66 0.48 0.00 -0.00 0.00 0.00 42.92 40.60 1pqz s ASP 181 CO -0.04 -0.68 1.43 -0.90 -0.00 0.00 0.00 175.17 174.98 1pqz n ASP 182 N 0.62 3.60 0.00 0.27 5.68 -1.15 -4.92 116.55 120.65 1pqz n ASP 182 Ca 0.01 -1.99 0.00 0.00 -0.50 0.00 0.00 54.79 52.30 1pqz n ASP 182 Cb 0.41 -0.31 0.00 0.00 -1.14 0.00 0.00 41.12 40.08 1pqz n ASP 182 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1pqz n GLY 183 N 1.54 1.45 1.50 6.12 0.00 -1.26 -4.90 105.19 109.63 1pqz n GLY 183 Ca 0.21 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.21 1pqz n GLY 183 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqz n GLY 184 N -2.00 3.59 1.37 -0.02 0.00 -1.26 -4.93 105.19 101.94 1pqz n GLY 184 Ca 0.00 -1.38 0.00 0.00 0.00 0.00 0.00 46.02 44.64 1pqz n GLY 184 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqz n GLY 185 N -0.47 0.75 3.89 -0.02 0.00 -1.26 -5.05 105.19 103.02 1pqz n GLY 185 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1pqz n GLY 185 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1pqz s GLY 186 N -1.66 1.64 -0.34 -0.02 0.00 -1.26 -4.96 107.32 100.72 1pqz s GLY 186 Ca 0.00 -0.30 -0.00 0.00 0.00 0.00 0.00 44.72 44.42 1pqz s GLY 186 CO 0.00 -0.10 0.24 0.00 0.00 0.00 0.00 173.10 173.24 1pqz s ALA 187 N -2.82 0.46 -0.09 3.20 0.00 -1.26 -2.94 121.76 118.31 1pqz s ALA 187 Ca 0.51 -1.39 -0.27 0.00 0.00 0.00 0.00 51.96 50.81 1pqz s ALA 187 Cb -0.10 -1.67 -0.02 0.00 0.00 0.00 0.00 23.12 21.32 1pqz s ALA 187 CO 0.45 -1.99 0.87 -0.51 0.00 0.00 0.00 175.76 174.57 1pqz s LEU 188 N 1.46 4.27 0.15 0.00 1.43 -0.03 -4.79 118.68 121.17 1pqz s LEU 188 Ca 0.15 1.36 -0.31 0.00 -1.03 0.00 0.00 54.13 54.30 1pqz s LEU 188 Cb -0.19 -3.34 -0.10 0.00 0.03 0.00 0.00 46.19 42.59 1pqz s LEU 188 CO -0.10 -0.31 1.64 -2.84 0.23 0.00 0.00 176.35 174.97 1pqz s PRO 189 N 1.55 4.19 -0.22 1.29 0.02 -1.26 -1.05 135.00 139.51 1pqz s PRO 189 Ca 0.43 2.42 -0.10 0.00 0.02 0.00 0.00 61.00 63.77 1pqz s PRO 189 Cb -0.18 -3.27 -0.05 0.00 0.02 0.00 0.00 34.50 31.02 1pqz s PRO 189 CO 0.18 -0.68 0.15 -0.65 -0.33 0.00 0.00 177.00 175.68 1pqz s GLN 190 N 1.59 4.12 0.01 5.54 -1.52 -0.37 -4.92 119.66 124.11 1pqz s GLN 190 Ca 0.73 -0.24 -0.19 0.00 -1.95 0.00 0.00 55.36 53.71 1pqz s GLN 190 Cb -0.44 -3.49 -0.06 0.00 -0.22 0.00 0.00 33.01 28.80 1pqz s GLN 190 CO 0.32 0.15 0.55 0.99 -0.25 0.00 0.00 175.29 177.06 1pqz s THR 191 N 0.79 4.89 -0.12 -0.19 2.01 -1.26 -4.46 115.64 117.30 1pqz s THR 191 Ca 0.08 1.16 -0.08 0.00 0.31 0.00 0.00 61.69 63.16 1pqz s THR 191 Cb -0.13 -3.88 -0.04 0.00 0.01 0.00 0.00 72.50 68.46 1pqz s THR 191 CO 0.02 0.48 0.17 -0.94 -0.69 0.00 0.00 174.62 173.66 1pqz s SER 192 N -0.56 6.41 0.17 3.53 1.04 -1.26 -4.98 113.70 118.06 1pqz s SER 192 Ca 0.29 0.49 -0.08 0.00 0.48 0.00 0.00 55.95 57.13 1pqz s SER 192 Cb -0.18 -2.09 0.06 0.00 0.10 0.00 0.00 66.02 63.90 1pqz s SER 192 CO 0.17 0.37 1.56 0.50 0.98 0.00 0.00 173.24 176.82 1pqz h LYS 193 N 5.20 0.92 0.00 4.02 3.64 -1.98 -3.44 116.57 124.94 1pqz h LYS 193 Ca -0.53 -0.40 0.00 0.00 -1.27 0.00 0.00 60.65 58.45 1pqz h LYS 193 Cb 1.22 -0.03 0.00 0.00 -0.41 0.00 0.00 32.23 33.01 1pqz h LYS 193 CO 0.61 1.06 0.00 1.04 -2.27 0.00 0.00 179.45 179.89 1pqz n GLN 194 N -4.10 3.49 0.00 1.90 6.02 -1.26 -5.08 117.38 118.35 1pqz n GLN 194 Ca -0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1pqz n GLN 194 Cb 0.47 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.73 1pqz n GLN 194 CO 0.00 0.00 0.00 1.58 -1.01 0.00 0.00 177.06 177.63 1pqz n HIS 195 N 0.00 0.00 -1.91 1.08 -0.00 -1.26 -5.13 115.22 108.00 1pqz n HIS 195 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.72 1pqz n HIS 195 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 29.99 1pqz n HIS 195 CO 0.00 0.00 0.00 0.72 -0.00 0.00 0.00 176.34 177.06 1pqz n HIS 196 N 0.00 -3.61 -0.94 1.57 8.25 -1.26 -4.85 115.22 114.39 1pqz n HIS 196 Ca 0.00 2.16 -0.29 0.00 -0.26 0.00 0.00 57.72 59.32 1pqz n HIS 196 Cb 0.00 -3.34 0.23 0.00 1.12 0.00 0.00 29.99 28.00 1pqz n HIS 196 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1pqz s ASP 197 N -0.43 1.25 0.54 0.41 1.01 -1.26 -4.76 116.67 113.43 1pqz s ASP 197 Ca 0.00 0.99 -0.20 0.00 0.71 0.00 0.00 52.55 54.05 1pqz s ASP 197 Cb 0.00 -1.50 -0.06 0.00 1.01 0.00 0.00 42.92 42.37 1pqz s ASP 197 CO 0.00 -3.96 1.16 -2.16 0.21 0.00 0.00 175.17 170.41 1pqz s PRO 198 N -5.04 3.32 -0.09 8.23 0.04 -1.26 -4.88 135.00 135.32 1pqz s PRO 198 Ca 0.68 1.70 0.01 0.00 0.04 0.00 0.00 61.00 63.43 1pqz s PRO 198 Cb -0.16 -2.05 -0.03 0.00 0.04 0.00 0.00 34.50 32.31 1pqz s PRO 198 CO 0.58 -0.89 -0.09 -0.51 0.04 0.00 0.00 177.00 176.12 1pqz s LEU 199 N -3.75 2.99 0.24 -3.56 1.43 0.54 -4.93 118.68 111.65 1pqz s LEU 199 Ca 0.73 -0.13 -0.30 0.00 -1.03 0.00 0.00 54.13 53.39 1pqz s LEU 199 Cb -0.26 -1.65 -0.09 0.00 0.03 0.00 0.00 46.19 44.21 1pqz s LEU 199 CO 0.30 0.30 1.33 -2.16 0.23 0.00 0.00 176.35 176.34 1pqz s PRO 200 N -0.43 4.37 0.00 1.29 0.04 -1.26 -1.45 135.00 137.55 1pqz s PRO 200 Ca 0.06 2.13 0.27 0.00 0.04 0.00 0.00 61.00 63.50 1pqz s PRO 200 Cb -0.12 -3.15 1.17 0.00 0.04 0.00 0.00 34.50 32.44 1pqz s PRO 200 CO 0.02 -0.25 1.81 0.43 0.04 0.00 0.00 177.00 179.05 1pqz n SER 201 N 2.07 1.17 0.00 6.66 7.64 -0.36 -4.89 113.62 125.91 1pqz n SER 201 Ca 0.04 -1.43 0.00 0.00 1.01 0.00 0.00 58.87 58.49 1pqz n SER 201 Cb 0.42 -0.02 0.00 0.00 -1.01 0.00 0.00 64.21 63.60 1pqz n SER 201 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1pqz n GLY 202 N 1.12 0.72 2.06 0.23 0.00 -1.26 -4.89 105.19 103.16 1pqz n GLY 202 Ca 0.19 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.22 1pqz n GLY 202 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqz n GLN 203 N -2.00 0.76 -0.19 1.61 -0.00 -1.26 -4.99 117.38 111.32 1pqz n GLN 203 Ca 0.00 -2.44 0.00 0.00 -0.00 0.00 0.00 57.00 54.56 1pqz n GLN 203 Cb 0.00 -0.55 0.00 0.00 -0.00 0.00 0.00 30.24 29.69 1pqz n GLN 203 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1pqz n GLY 204 N -0.11 1.83 1.44 2.61 0.00 -1.26 -5.03 105.19 104.67 1pqz n GLY 204 Ca 0.02 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.95 1pqz n GLY 204 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pqz n LEU 205 N 0.00 0.00 -4.19 0.99 4.77 -1.26 -4.94 117.00 112.37 1pqz n LEU 205 Ca 0.00 -1.03 -0.11 0.00 -0.03 0.00 0.00 56.01 54.84 1pqz n LEU 205 Cb 0.00 -0.06 -0.10 0.00 -2.33 0.00 0.00 43.42 40.93 1pqz n LEU 205 CO 0.00 -0.44 -0.30 -0.31 -1.33 0.00 0.00 177.39 175.00 1pqz s TYR 206 N -0.80 1.02 0.01 -1.77 2.02 0.20 -1.22 117.35 116.81 1pqz s TYR 206 Ca 0.15 -1.16 -0.01 0.00 -0.37 0.00 0.00 57.07 55.69 1pqz s TYR 206 Cb -0.01 -0.58 -0.01 0.00 -0.40 0.00 0.00 41.96 40.96 1pqz s TYR 206 CO 0.10 -0.40 -0.00 1.14 -1.57 0.00 0.00 175.55 174.81 1pqz s GLN 207 N -4.00 0.23 -0.09 -0.62 -2.07 -0.53 -1.28 119.66 111.30 1pqz s GLN 207 Ca 0.25 -0.38 -0.22 0.00 -1.82 0.00 0.00 55.36 53.18 1pqz s GLN 207 Cb 0.07 0.08 0.05 0.00 -1.09 0.00 0.00 33.01 32.12 1pqz s GLN 207 CO 0.03 -0.04 0.53 0.21 -1.32 0.00 0.00 175.29 174.70 1pqz s LYS 208 N -0.97 0.82 0.13 9.60 2.20 -0.61 -0.34 119.74 130.57 1pqz s LYS 208 Ca -0.11 0.27 -0.07 0.00 -0.36 0.00 0.00 55.97 55.70 1pqz s LYS 208 Cb -0.07 0.38 -0.01 0.00 -1.51 0.00 0.00 37.83 36.62 1pqz s LYS 208 CO -0.00 -0.21 0.19 -3.38 -0.36 0.00 0.00 175.35 171.59 1pqz s HIS 209 N -0.80 0.42 -0.03 4.03 -3.43 -1.26 -0.83 115.29 113.39 1pqz s HIS 209 Ca -0.09 -0.82 -0.16 0.00 -0.80 0.00 0.00 55.06 53.19 1pqz s HIS 209 Cb -0.03 -0.16 0.03 0.00 -1.43 0.00 0.00 32.58 30.99 1pqz s HIS 209 CO 0.05 -0.61 0.35 0.96 -2.00 0.00 0.00 174.74 173.50 1pqz s ILE 210 N -3.95 0.05 0.20 -5.38 -4.36 -0.71 -4.90 121.20 102.15 1pqz s ILE 210 Ca 0.14 -0.38 0.10 0.00 -0.26 0.00 0.00 60.65 60.25 1pqz s ILE 210 Cb 0.05 -0.65 -0.04 0.00 1.25 0.00 0.00 42.46 43.07 1pqz s ILE 210 CO -0.03 -0.21 -0.21 -1.81 0.24 0.00 0.00 174.94 172.92 1pqz s ASP 211 N -1.17 3.16 0.07 4.36 1.01 -1.26 -0.51 116.67 122.32 1pqz s ASP 211 Ca -0.12 -0.90 0.03 0.00 0.71 0.00 0.00 52.55 52.27 1pqz s ASP 211 Cb -0.04 -0.22 -0.03 0.00 1.01 0.00 0.00 42.92 43.63 1pqz s ASP 211 CO 0.04 0.04 -0.09 0.68 0.21 0.00 0.00 175.17 176.05 1pqz s VAL 212 N -2.03 0.77 -0.19 -1.27 -7.23 -0.28 -4.80 120.40 105.37 1pqz s VAL 212 Ca 0.21 -1.36 -0.02 0.00 -1.81 0.00 0.00 61.98 59.00 1pqz s VAL 212 Cb -0.06 -1.00 -0.00 0.00 0.56 0.00 0.00 36.38 35.87 1pqz s VAL 212 CO 0.10 -0.45 -0.10 -0.31 -0.31 0.00 0.00 175.10 174.03 1pqz s TYR 213 N -1.87 2.89 0.28 2.82 2.02 -1.26 -0.60 117.35 121.63 1pqz s TYR 213 Ca -0.02 -1.02 0.05 0.00 -0.37 0.00 0.00 57.07 55.70 1pqz s TYR 213 Cb -0.07 -2.01 -0.06 0.00 -0.40 0.00 0.00 41.96 39.43 1pqz s TYR 213 CO 0.00 -0.53 -0.01 0.14 -1.57 0.00 0.00 175.55 173.58 1pqz s VAL 214 N 1.19 1.39 0.22 0.71 -7.23 0.08 -4.97 120.40 111.78 1pqz s VAL 214 Ca 0.02 -2.07 -0.24 0.00 -1.81 0.00 0.00 61.98 57.88 1pqz s VAL 214 Cb -0.14 -2.52 -0.09 0.00 0.56 0.00 0.00 36.38 34.19 1pqz s VAL 214 CO -0.03 -0.23 0.81 -1.81 -0.31 0.00 0.00 175.10 173.53 1pqz s ASP 215 N -3.42 7.31 0.40 4.85 1.01 -1.26 -0.58 116.67 124.97 1pqz s ASP 215 Ca 0.31 1.65 -0.25 0.00 0.71 0.00 0.00 52.55 54.98 1pqz s ASP 215 Cb 0.06 -2.50 -0.11 0.00 1.01 0.00 0.00 42.92 41.37 1pqz s ASP 215 CO 0.12 0.09 0.95 0.61 0.21 0.00 0.00 175.17 177.16 1pqz n GLY 216 N 1.10 -0.38 2.15 0.21 0.00 -1.10 -1.57 105.19 105.61 1pqz n GLY 216 Ca -0.03 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.16 1pqz n GLY 216 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1pqz n GLY 217 N 1.27 3.10 1.48 -0.02 0.00 -1.26 -4.84 105.19 104.92 1pqz n GLY 217 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.21 1pqz n GLY 217 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pqz n LEU 218 N 0.00 4.53 -0.20 0.99 4.77 -0.61 -4.58 117.00 121.91 1pqz n LEU 218 Ca 0.00 -2.37 -0.03 0.00 -0.03 0.00 0.00 56.01 53.58 1pqz n LEU 218 Cb 0.00 -0.55 0.07 0.00 -2.33 0.00 0.00 43.42 40.61 1pqz n LEU 218 CO 0.00 0.84 1.05 -0.33 -1.33 0.00 0.00 177.39 177.62 1pqz h GLU 219 N 3.96 0.57 0.00 3.23 3.07 -1.89 -2.73 114.58 120.79 1pqz h GLU 219 Ca 0.00 -0.03 0.00 0.00 -0.50 0.00 0.00 59.36 58.83 1pqz h GLU 219 Cb 1.35 -0.13 0.00 0.00 -0.84 0.00 0.00 28.75 29.13 1pqz h GLU 219 CO 0.18 0.38 0.04 0.72 -1.40 0.00 0.00 179.01 178.93 1pqz n HIS 220 N -4.84 0.63 0.27 4.33 8.25 -1.26 -1.84 115.22 120.75 1pqz n HIS 220 Ca 0.06 0.33 0.12 0.00 -0.26 0.00 0.00 57.72 57.97 1pqz n HIS 220 Cb 0.15 -1.00 0.16 0.00 1.12 0.00 0.00 29.99 30.42 1pqz n HIS 220 CO 0.00 0.00 0.00 0.28 0.64 0.00 0.00 176.34 177.26 1pqz h VAL 221 N 0.00 0.00 -3.16 1.59 2.07 -1.84 -3.46 116.25 111.45 1pqz h VAL 221 Ca 0.00 -0.90 -0.58 0.00 0.82 0.00 0.00 66.70 66.03 1pqz h VAL 221 Cb 0.07 1.77 -0.04 0.00 -1.52 0.00 0.00 31.29 31.57 1pqz h VAL 221 CO 0.00 0.00 -0.20 -0.31 0.02 0.00 0.00 177.57 177.08 1pqz s TYR 222 N -3.23 3.60 0.01 1.57 1.51 -0.77 -1.77 117.35 118.28 1pqz s TYR 222 Ca 0.06 0.88 0.02 0.00 -1.01 0.00 0.00 57.07 57.02 1pqz s TYR 222 Cb 0.07 -2.23 -0.01 0.00 -0.11 0.00 0.00 41.96 39.69 1pqz s TYR 222 CO 0.69 0.50 -0.07 -1.54 -1.11 0.00 0.00 175.55 174.02 1pqz s SER 223 N -1.71 0.80 -0.22 2.29 1.04 0.40 -4.59 113.70 111.72 1pqz s SER 223 Ca 0.34 -0.28 -0.08 0.00 0.48 0.00 0.00 55.95 56.41 1pqz s SER 223 Cb -0.14 -0.04 -0.04 0.00 0.10 0.00 0.00 66.02 65.90 1pqz s SER 223 CO 0.18 -0.03 0.08 0.00 0.98 0.00 0.00 173.24 174.45 1pqz s ARG 225 N 0.95 3.05 -0.01 0.00 0.52 -0.36 -0.96 118.95 122.14 1pqz s ARG 225 Ca 0.04 -0.87 0.03 0.00 -0.52 0.00 0.00 55.73 54.41 1pqz s ARG 225 Cb -0.14 -2.33 -0.01 0.00 0.52 0.00 0.00 34.95 32.99 1pqz s ARG 225 CO 0.03 0.15 -0.09 0.14 0.02 0.00 0.00 175.30 175.55 1pqz s VAL 226 N 0.42 0.72 -0.10 3.52 -7.23 -0.19 -1.88 120.40 115.67 1pqz s VAL 226 Ca -0.17 -0.39 -0.16 0.00 -1.81 0.00 0.00 61.98 59.46 1pqz s VAL 226 Cb -0.18 -0.61 0.04 0.00 0.56 0.00 0.00 36.38 36.19 1pqz s VAL 226 CO 0.07 0.21 0.39 -0.75 -0.31 0.00 0.00 175.10 174.71 1pqz s LYS 227 N -0.19 0.59 0.00 4.82 2.20 -0.75 -0.64 119.74 125.77 1pqz s LYS 227 Ca 0.03 0.28 0.00 0.00 -0.36 0.00 0.00 55.97 55.92 1pqz s LYS 227 Cb -0.04 0.27 0.00 0.00 -1.51 0.00 0.00 37.83 36.56 1pqz s LYS 227 CO -0.00 -0.12 0.00 0.41 -0.36 0.00 0.00 175.35 175.28 1pqz n GLY 228 N 2.16 0.27 0.34 5.54 0.00 -1.26 -0.90 105.19 111.34 1pqz n GLY 228 Ca -0.17 -1.01 0.17 0.00 0.00 0.00 0.00 46.02 45.01 1pqz n GLY 228 CO 0.00 0.00 0.00 -2.22 0.00 0.00 0.00 173.32 171.10 1pqz h ILE 229 N 0.95 0.52 -0.76 -0.61 2.04 -1.92 0.92 117.51 118.64 1pqz h ILE 229 Ca 0.00 -0.18 0.20 0.00 1.00 0.00 0.00 64.86 65.88 1pqz h ILE 229 Cb 0.00 -0.06 -0.04 0.00 -0.74 0.00 0.00 36.82 35.98 1pqz h ILE 229 CO 0.00 0.10 0.53 0.00 0.00 0.00 0.00 178.15 178.78 1pqz h ALA 230 N 1.73 2.49 -0.52 1.87 0.00 -1.82 0.26 119.26 123.27 1pqz h ALA 230 Ca 0.63 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.51 1pqz h ALA 230 Cb 1.20 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1pqz h ALA 230 CO -0.49 -0.71 0.02 0.25 0.00 0.00 0.00 179.25 178.32 1pqz n THR 231 N -4.39 2.44 -1.72 0.00 -2.24 0.31 -2.90 114.28 105.78 1pqz n THR 231 Ca 0.15 -1.24 -0.17 0.00 -2.27 0.00 0.00 64.05 60.52 1pqz n THR 231 Cb 0.73 -0.32 -0.06 0.00 -2.10 0.00 0.00 70.33 68.59 1pqz n THR 231 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1pqz n GLY 232 N 0.49 1.13 2.46 3.38 0.00 0.90 -1.84 105.19 111.72 1pqz n GLY 232 Ca 0.25 -0.20 -0.12 0.00 0.00 0.00 0.00 46.02 45.96 1pqz n GLY 232 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1pqz n LEU 233 N -2.08 -0.77 -4.58 0.99 4.77 -0.68 -4.99 117.00 109.66 1pqz n LEU 233 Ca -0.18 0.30 -0.30 0.00 -0.03 0.00 0.00 56.01 55.80 1pqz n LEU 233 Cb 0.59 -2.09 -0.10 0.00 -2.33 0.00 0.00 43.42 39.49 1pqz n LEU 233 CO 0.25 -0.74 -0.41 -1.83 -1.33 0.00 0.00 177.39 173.33 1pqz s GLU 234 N -2.92 2.23 0.17 3.23 -1.05 -0.77 -4.81 118.70 114.79 1pqz s GLU 234 Ca 0.00 -0.95 -0.30 0.00 -0.15 0.00 0.00 54.97 53.57 1pqz s GLU 234 Cb 0.00 -2.35 -0.08 0.00 -0.44 0.00 0.00 34.13 31.26 1pqz s GLU 234 CO 0.00 0.53 1.33 -1.17 0.95 0.00 0.00 175.26 176.90 1pqz s LEU 235 N -1.98 4.40 0.08 1.83 2.96 -1.26 -4.58 118.68 120.13 1pqz s LEU 235 Ca 0.20 2.38 0.10 0.00 -0.22 0.00 0.00 54.13 56.58 1pqz s LEU 235 Cb -0.11 -3.60 -0.03 0.00 0.50 0.00 0.00 46.19 42.94 1pqz s LEU 235 CO 0.12 -0.56 -0.26 -1.10 -1.32 0.00 0.00 176.35 173.23 1pqz s GLN 236 N 0.24 1.55 -0.03 1.98 -0.21 0.19 -4.97 119.66 118.41 1pqz s GLN 236 Ca 0.59 -1.19 0.02 0.00 0.02 0.00 0.00 55.36 54.80 1pqz s GLN 236 Cb -0.36 -1.85 0.01 0.00 1.00 0.00 0.00 33.01 31.81 1pqz s GLN 236 CO 0.36 0.46 -0.07 0.42 -2.12 0.00 0.00 175.29 174.34 1pqz s ILE 237 N -0.93 0.65 0.05 1.08 1.01 -1.26 -1.02 121.20 120.78 1pqz s ILE 237 Ca 0.12 -0.26 0.03 0.00 0.00 0.00 0.00 60.65 60.53 1pqz s ILE 237 Cb -0.10 -0.61 -0.02 0.00 0.01 0.00 0.00 42.46 41.74 1pqz s ILE 237 CO 0.04 0.22 -0.09 0.68 0.00 0.00 0.00 174.94 175.79 1pqz s VAL 238 N 0.39 0.65 0.22 2.92 -7.23 -0.13 -4.96 120.40 112.25 1pqz s VAL 238 Ca -0.06 -1.08 0.04 0.00 -1.81 0.00 0.00 61.98 59.07 1pqz s VAL 238 Cb -0.10 -0.69 -0.05 0.00 0.56 0.00 0.00 36.38 36.10 1pqz s VAL 238 CO 0.00 -0.33 -0.02 -0.13 -0.31 0.00 0.00 175.10 174.31 1pqz s ARG 239 N -1.54 1.29 0.00 4.82 0.52 -1.26 0.09 118.95 122.87 1pqz s ARG 239 Ca -0.08 -1.63 -0.30 0.00 -0.52 0.00 0.00 55.73 53.20 1pqz s ARG 239 Cb -0.10 -0.63 -0.07 0.00 0.52 0.00 0.00 34.95 34.67 1pqz s ARG 239 CO 0.01 -0.06 1.75 -0.46 0.02 0.00 0.00 175.30 176.55 1pqz s TRP 240 N -3.39 1.87 -0.62 -0.53 -0.00 -1.26 -4.69 118.94 110.32 1pqz s TRP 240 Ca 0.26 0.03 0.24 0.00 -0.00 0.00 0.00 56.10 56.63 1pqz s TRP 240 Cb 0.05 -4.02 0.26 0.00 -0.00 0.00 0.00 33.47 29.76 1pqz s TRP 240 CO 0.07 -4.36 1.24 0.87 -0.00 0.00 0.00 176.95 174.77 1pqz h LYS 241 N 9.57 0.00 0.00 5.86 1.57 -1.99 -3.47 116.57 128.11 1pqz h LYS 241 Ca -0.43 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.35 1pqz h LYS 241 Cb 1.20 0.00 0.00 0.00 0.08 0.00 0.00 32.23 33.51 1pqz h LYS 241 CO 0.94 0.00 0.00 0.41 -0.57 0.00 0.00 179.45 180.23