#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1oql n ASP 2 N 0.00 -0.69 -4.63 -1.12 -0.08 -1.26 -4.93 116.55 103.84 1oql n ASP 2 Ca 0.00 0.07 -0.38 0.00 -1.51 0.00 0.00 54.79 52.97 1oql n ASP 2 Cb 0.00 -0.15 -0.10 0.00 2.34 0.00 0.00 41.12 43.21 1oql n ASP 2 CO 0.00 0.00 0.00 -0.69 0.12 0.00 0.00 177.20 176.63 1oql s VAL 3 N -0.05 5.29 0.18 5.18 1.01 -1.26 -5.08 120.40 125.67 1oql s VAL 3 Ca 0.00 0.33 0.06 0.00 0.00 0.00 0.00 61.98 62.37 1oql s VAL 3 Cb 0.00 -3.58 -0.05 0.00 0.00 0.00 0.00 36.38 32.75 1oql s VAL 3 CO 0.00 0.27 -0.11 0.42 0.00 0.00 0.00 175.10 175.68 1oql s THR 4 N 1.50 1.42 -0.23 3.92 -4.23 -1.26 -5.02 115.64 111.74 1oql s THR 4 Ca 0.10 -2.13 0.21 0.00 -1.18 0.00 0.00 61.69 58.70 1oql s THR 4 Cb -0.15 -1.99 0.47 0.00 1.34 0.00 0.00 72.50 72.17 1oql s THR 4 CO 0.08 -0.64 1.19 0.00 -0.54 0.00 0.00 174.62 174.71 1oql s SER 6 N -3.07 4.24 0.00 0.00 0.15 -1.26 -4.97 113.70 108.79 1oql s SER 6 Ca 0.24 2.24 0.00 0.00 0.70 0.00 0.00 55.95 59.13 1oql s SER 6 Cb 0.34 -2.58 0.00 0.00 -1.71 0.00 0.00 66.02 62.07 1oql s SER 6 CO -0.07 -2.23 0.00 0.00 1.20 0.00 0.00 173.24 172.14 1oql n ALA 7 N -2.87 0.00 -1.95 5.45 0.00 -1.26 -5.15 120.51 114.72 1oql n ALA 7 Ca 0.12 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.33 1oql n ALA 7 Cb 0.51 0.00 0.06 0.00 0.00 0.00 0.00 19.45 20.02 1oql n ALA 7 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1oql s SER 8 N -0.86 4.98 -0.44 0.00 0.15 -1.26 -5.04 113.70 111.23 1oql s SER 8 Ca 0.00 0.18 0.03 0.00 0.70 0.00 0.00 55.95 56.86 1oql s SER 8 Cb 0.00 -0.92 0.12 0.00 -1.71 0.00 0.00 66.02 63.52 1oql s SER 8 CO 0.00 -1.41 0.20 -1.61 1.20 0.00 0.00 173.24 171.62 1oql s GLU 9 N -5.02 1.57 0.48 5.44 2.02 -1.26 -4.87 118.70 117.06 1oql s GLU 9 Ca 0.59 -2.17 -0.24 0.00 0.02 0.00 0.00 54.97 53.17 1oql s GLU 9 Cb -0.10 -2.90 -0.07 0.00 0.10 0.00 0.00 34.13 31.16 1oql s GLU 9 CO 0.42 -1.08 1.35 -2.14 0.02 0.00 0.00 175.26 173.83 1oql s PRO 10 N 0.28 3.55 -0.19 0.39 0.02 -1.26 -4.66 135.00 133.13 1oql s PRO 10 Ca 0.15 2.24 -0.04 0.00 0.02 0.00 0.00 61.00 63.37 1oql s PRO 10 Cb -0.24 -2.51 -0.02 0.00 0.02 0.00 0.00 34.50 31.76 1oql s PRO 10 CO -0.04 -0.86 -0.03 0.99 -0.33 0.00 0.00 177.00 176.73 1oql s THR 11 N -1.28 3.66 0.16 0.99 2.01 -1.26 -0.54 115.64 119.38 1oql s THR 11 Ca 0.64 -0.41 -0.18 0.00 0.31 0.00 0.00 61.69 62.05 1oql s THR 11 Cb -0.40 -2.64 0.04 0.00 0.01 0.00 0.00 72.50 69.51 1oql s THR 11 CO 0.50 0.44 0.48 0.54 -0.69 0.00 0.00 174.62 175.89 1oql s VAL 12 N 1.00 0.04 0.70 3.82 0.11 0.18 -4.87 120.40 121.38 1oql s VAL 12 Ca 0.01 -0.56 -0.11 0.00 -2.93 0.00 0.00 61.98 58.39 1oql s VAL 12 Cb -0.15 -1.30 0.01 0.00 -1.53 0.00 0.00 36.38 33.42 1oql s VAL 12 CO 0.01 -0.18 1.08 -0.13 -3.33 0.00 0.00 175.10 172.55 1oql s ARG 13 N -3.82 2.90 -0.09 1.54 0.52 -1.25 -0.38 118.95 118.37 1oql s ARG 13 Ca 0.05 0.56 -0.00 0.00 -0.52 0.00 0.00 55.73 55.81 1oql s ARG 13 Cb 0.00 -2.02 0.02 0.00 0.52 0.00 0.00 34.95 33.48 1oql s ARG 13 CO -0.09 -1.02 -0.06 0.42 0.02 0.00 0.00 175.30 174.57 1oql s ILE 14 N -3.29 0.84 0.03 1.52 1.01 -1.26 -0.39 121.20 119.66 1oql s ILE 14 Ca 0.58 -0.20 0.02 0.00 0.00 0.00 0.00 60.65 61.05 1oql s ILE 14 Cb -0.12 -0.88 -0.04 0.00 0.01 0.00 0.00 42.46 41.44 1oql s ILE 14 CO 0.53 0.33 0.06 -0.69 0.00 0.00 0.00 174.94 175.16 1oql s VAL 15 N 1.57 4.49 0.00 2.92 1.01 -0.58 -1.20 120.40 128.60 1oql s VAL 15 Ca 0.01 -0.62 0.00 0.00 0.00 0.00 0.00 61.98 61.37 1oql s VAL 15 Cb -0.13 -3.09 0.00 0.00 0.00 0.00 0.00 36.38 33.16 1oql s VAL 15 CO -0.05 0.26 0.00 0.61 0.00 0.00 0.00 175.10 175.91 1oql n GLY 16 N 0.91 5.56 3.16 4.51 0.00 0.24 -0.34 105.19 119.23 1oql n GLY 16 Ca -0.11 -1.05 -0.52 0.00 0.00 0.00 0.00 46.02 44.34 1oql n GLY 16 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1oql n ARG 17 N 0.00 0.00 -2.00 1.61 0.63 -1.24 -0.98 116.66 114.68 1oql n ARG 17 Ca 0.00 0.00 -0.13 0.00 -0.92 0.00 0.00 57.85 56.80 1oql n ARG 17 Cb 0.00 -1.27 -0.03 0.00 0.45 0.00 0.00 32.46 31.61 1oql n ARG 17 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 1oql n ASN 18 N 1.45 -3.83 0.00 6.15 3.02 -1.26 -1.76 115.26 119.03 1oql n ASN 18 Ca 0.18 0.24 0.00 0.00 -0.03 0.00 0.00 54.58 54.97 1oql n ASN 18 Cb 0.10 -3.37 0.00 0.00 -0.61 0.00 0.00 39.78 35.90 1oql n ASN 18 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1oql n GLY 19 N -0.58 0.81 3.90 7.41 0.00 -0.15 -5.02 105.19 111.56 1oql n GLY 19 Ca -0.15 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.59 1oql n GLY 19 CO 0.00 0.00 0.00 1.06 0.00 0.00 0.00 173.32 174.38 1oql s MET 20 N -0.15 2.45 0.38 1.61 -1.94 -0.72 -4.68 119.30 116.25 1oql s MET 20 Ca 0.00 0.14 0.05 0.00 -1.71 0.00 0.00 55.69 54.17 1oql s MET 20 Cb 0.00 -2.06 -0.07 0.00 2.01 0.00 0.00 34.83 34.71 1oql s MET 20 CO 0.00 -1.21 0.04 0.00 -0.01 0.00 0.00 175.02 173.84 1oql s VAL 22 N -3.00 4.16 -0.03 0.00 1.01 -0.34 -1.26 120.40 120.94 1oql s VAL 22 Ca 0.33 1.39 0.03 0.00 0.00 0.00 0.00 61.98 63.73 1oql s VAL 22 Cb 0.09 -3.97 0.00 0.00 0.00 0.00 0.00 36.38 32.50 1oql s VAL 22 CO 0.16 -0.21 -0.10 -0.62 0.00 0.00 0.00 175.10 174.33 1oql s ASP 23 N 2.37 1.38 -0.45 3.32 -1.08 -0.14 -4.51 116.67 117.57 1oql s ASP 23 Ca 0.57 -0.22 -0.26 0.00 -0.52 0.00 0.00 52.55 52.13 1oql s ASP 23 Cb -0.22 -0.41 0.03 0.00 -1.46 0.00 0.00 42.92 40.86 1oql s ASP 23 CO 0.18 0.07 0.95 -0.69 0.52 0.00 0.00 175.17 176.20 1oql s VAL 24 N 0.24 4.46 -0.03 1.11 1.01 -0.78 0.43 120.40 126.83 1oql s VAL 24 Ca -0.05 0.86 -0.39 0.00 0.00 0.00 0.00 61.98 62.41 1oql s VAL 24 Cb -0.10 -4.44 -0.18 0.00 0.00 0.00 0.00 36.38 31.66 1oql s VAL 24 CO 0.01 -0.81 1.30 -1.14 0.00 0.00 0.00 175.10 174.46 1oql n ARG 25 N 7.19 0.62 -1.51 2.72 0.63 -1.12 -2.16 116.66 123.03 1oql n ARG 25 Ca 0.07 0.23 -0.16 0.00 -0.92 0.00 0.00 57.85 57.06 1oql n ARG 25 Cb 0.48 -1.81 -0.07 0.00 0.45 0.00 0.00 32.46 31.52 1oql n ARG 25 CO 0.00 0.00 0.00 -3.47 -2.51 0.00 0.00 177.63 171.65 1oql n ASP 26 N 2.57 -4.30 -0.43 6.15 2.03 -1.26 -1.20 116.55 120.11 1oql n ASP 26 Ca 0.21 0.39 -0.06 0.00 0.52 0.00 0.00 54.79 55.85 1oql n ASP 26 Cb 0.12 -3.89 -0.02 0.00 -0.72 0.00 0.00 41.12 36.61 1oql n ASP 26 CO 0.00 0.00 0.00 0.47 -1.92 0.00 0.00 177.20 175.75 1oql n ASP 27 N -0.89 -5.07 -4.62 1.67 8.00 -0.92 -4.94 116.55 109.77 1oql n ASP 27 Ca -0.16 0.14 -0.42 0.00 0.71 0.00 0.00 54.79 55.05 1oql n ASP 27 Cb 0.54 -3.06 -0.03 0.00 -0.02 0.00 0.00 41.12 38.54 1oql n ASP 27 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1oql s ASP 28 N -2.31 6.78 -0.10 -2.24 3.68 -0.34 -4.93 116.67 117.21 1oql s ASP 28 Ca 0.00 0.81 0.17 0.00 2.13 0.00 0.00 52.55 55.66 1oql s ASP 28 Cb 0.00 -2.47 0.62 0.00 -1.45 0.00 0.00 42.92 39.61 1oql s ASP 28 CO 0.00 -0.76 1.53 0.49 0.13 0.00 0.00 175.17 176.56 1oql n PHE 29 N 6.57 1.21 -2.13 -5.34 3.01 -1.26 -4.68 117.46 114.84 1oql n PHE 29 Ca 0.08 -0.63 -0.41 0.00 1.01 0.00 0.00 57.45 57.49 1oql n PHE 29 Cb 0.48 -0.22 -0.03 0.00 -0.01 0.00 0.00 39.48 39.70 1oql n PHE 29 CO 0.00 0.00 0.00 1.03 1.01 0.00 0.00 176.76 178.80 1oql s ARG 30 N -1.85 4.34 -0.25 -1.08 1.81 -1.26 -4.86 118.95 115.80 1oql s ARG 30 Ca 0.45 2.16 -0.42 0.00 -1.72 0.00 0.00 55.73 56.20 1oql s ARG 30 Cb 0.29 -3.15 -0.19 0.00 -0.45 0.00 0.00 34.95 31.46 1oql s ARG 30 CO 0.21 -0.30 1.46 -0.25 -0.68 0.00 0.00 175.30 175.74 1oql n ASP 31 N 2.25 1.23 0.00 0.23 8.00 -1.26 -1.93 116.55 125.06 1oql n ASP 31 Ca 0.05 1.15 0.00 0.00 0.71 0.00 0.00 54.79 56.70 1oql n ASP 31 Cb 0.42 -0.99 0.00 0.00 -0.02 0.00 0.00 41.12 40.53 1oql n ASP 31 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1oql n GLY 32 N 3.22 0.37 3.77 0.44 0.00 -0.13 -5.02 105.19 107.83 1oql n GLY 32 Ca 0.26 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.89 1oql n GLY 32 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 173.32 173.53 1oql s ASN 33 N -1.97 6.45 0.55 1.61 2.47 -0.81 -4.76 114.94 118.47 1oql s ASN 33 Ca 0.00 2.43 -0.19 0.00 0.42 0.00 0.00 52.86 55.53 1oql s ASN 33 Cb 0.00 -2.62 -0.06 0.00 -1.45 0.00 0.00 41.25 37.12 1oql s ASN 33 CO 0.00 -0.73 1.10 -1.10 -3.72 0.00 0.00 177.10 172.65 1oql s GLN 34 N -2.28 3.40 -0.10 0.43 -0.21 -1.26 -1.41 119.66 118.22 1oql s GLN 34 Ca 0.57 1.50 -0.05 0.00 0.02 0.00 0.00 55.36 57.39 1oql s GLN 34 Cb -0.33 -2.02 -0.04 0.00 1.00 0.00 0.00 33.01 31.62 1oql s GLN 34 CO 0.41 -0.79 0.13 0.42 -2.12 0.00 0.00 175.29 173.34 1oql s ILE 35 N -1.93 5.32 0.37 1.08 -1.09 -0.77 -2.79 121.20 121.39 1oql s ILE 35 Ca 0.70 0.08 0.06 0.00 -2.23 0.00 0.00 60.65 59.25 1oql s ILE 35 Cb -0.21 -3.34 -0.02 0.00 -1.58 0.00 0.00 42.46 37.31 1oql s ILE 35 CO 0.28 0.57 0.21 0.00 -1.23 0.00 0.00 174.94 174.76 1oql n GLN 36 N 1.82 0.50 -3.64 2.79 10.64 0.17 -1.06 117.38 128.61 1oql n GLN 36 Ca -0.18 -3.39 -0.38 0.00 -1.83 0.00 0.00 57.00 51.22 1oql n GLN 36 Cb 0.54 2.26 -0.11 0.00 -0.86 0.00 0.00 30.24 32.07 1oql n GLN 36 CO 0.00 0.00 0.00 -1.17 -1.83 0.00 0.00 177.06 174.06 1oql s LEU 37 N 0.00 3.87 -0.01 2.61 2.96 -0.20 -0.96 118.68 126.95 1oql s LEU 37 Ca 0.29 -0.06 -0.07 0.00 -0.22 0.00 0.00 54.13 54.07 1oql s LEU 37 Cb 0.01 -2.07 0.00 0.00 0.50 0.00 0.00 46.19 44.64 1oql s LEU 37 CO 0.21 -0.04 0.15 0.86 -1.32 0.00 0.00 176.35 176.20 1oql s TRP 38 N 1.70 0.00 0.50 5.38 -0.11 -0.39 -0.94 118.94 125.08 1oql s TRP 38 Ca 0.07 -0.04 -0.23 0.00 1.22 0.00 0.00 56.10 57.11 1oql s TRP 38 Cb -0.16 -0.03 -0.06 0.00 -1.50 0.00 0.00 33.47 31.72 1oql s TRP 38 CO 0.09 -0.27 1.33 -1.25 -4.62 0.00 0.00 176.95 172.24 1oql s PRO 39 N -1.19 3.45 0.17 5.86 0.04 -1.26 -0.59 135.00 141.47 1oql s PRO 39 Ca -0.13 2.19 -0.32 0.00 0.04 0.00 0.00 61.00 62.78 1oql s PRO 39 Cb -0.07 -2.42 -0.10 0.00 0.04 0.00 0.00 34.50 31.95 1oql s PRO 39 CO 0.02 -0.93 1.62 0.45 0.04 0.00 0.00 177.00 178.19 1oql s SER 40 N -0.91 6.53 0.11 6.66 0.15 -1.26 -4.84 113.70 120.14 1oql s SER 40 Ca 0.66 2.68 0.25 0.00 0.70 0.00 0.00 55.95 60.25 1oql s SER 40 Cb -0.39 -2.59 0.56 0.00 -1.71 0.00 0.00 66.02 61.89 1oql s SER 40 CO 0.47 -0.87 1.49 0.29 1.20 0.00 0.00 173.24 175.83 1oql n LYS 41 N 4.07 0.21 -3.67 5.44 5.02 -1.26 -4.96 118.16 123.00 1oql n LYS 41 Ca 0.15 0.09 -0.23 0.00 -2.02 0.00 0.00 58.31 56.30 1oql n LYS 41 Cb 0.38 -1.66 0.03 0.00 -0.02 0.00 0.00 35.03 33.76 1oql n LYS 41 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 1oql n SER 42 N -1.98 -2.18 -0.51 4.39 7.64 -1.26 -4.98 113.62 114.75 1oql n SER 42 Ca 0.04 -0.85 0.00 0.00 1.01 0.00 0.00 58.87 59.07 1oql n SER 42 Cb 0.41 -3.99 0.00 0.00 -1.01 0.00 0.00 64.21 59.62 1oql n SER 42 CO 0.00 0.00 0.00 -0.46 -3.01 0.00 0.00 175.04 171.57 1oql n ASN 43 N -3.01 0.00 -1.51 6.43 0.23 -1.26 -5.06 115.26 111.08 1oql n ASN 43 Ca -0.25 -0.51 0.09 0.00 -0.53 0.00 0.00 54.58 53.38 1oql n ASN 43 Cb 0.66 0.00 0.35 0.00 -2.08 0.00 0.00 39.78 38.71 1oql n ASN 43 CO 0.00 0.00 0.00 0.59 -0.93 0.00 0.00 177.26 176.92 1oql n ASN 44 N -1.28 4.63 -4.69 0.53 4.13 -1.26 -4.95 115.26 112.37 1oql n ASN 44 Ca 0.00 -2.43 -0.42 0.00 1.68 0.00 0.00 54.58 53.41 1oql n ASN 44 Cb 0.00 -0.56 -0.03 0.00 -1.54 0.00 0.00 39.78 37.65 1oql n ASN 44 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1oql n ASP 45 N 1.06 4.11 0.30 6.41 8.00 -1.26 -4.85 116.55 130.32 1oql n ASP 45 Ca 0.25 0.98 0.19 0.00 0.71 0.00 0.00 54.79 56.92 1oql n ASP 45 Cb 0.86 -1.55 0.99 0.00 -0.02 0.00 0.00 41.12 41.40 1oql n ASP 45 CO 0.00 0.00 0.00 -0.65 -0.39 0.00 0.00 177.20 176.16 1oql h PRO 46 N 8.81 0.00 0.00 -0.24 0.11 -1.92 -3.03 132.00 135.73 1oql h PRO 46 Ca -0.47 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.64 1oql h PRO 46 Cb 1.22 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.33 1oql h PRO 46 CO 0.95 0.00 0.00 0.27 -0.21 0.00 0.00 178.00 179.01 1oql n ASN 47 N -3.27 0.00 0.00 -2.05 6.94 -1.26 -2.36 115.26 113.26 1oql n ASN 47 Ca -0.01 -0.65 0.00 0.00 -0.02 0.00 0.00 54.58 53.90 1oql n ASN 47 Cb 0.23 -0.04 0.00 0.00 -2.36 0.00 0.00 39.78 37.60 1oql n ASN 47 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1oql n GLN 48 N -1.04 -0.75 -4.28 -3.83 6.02 -1.14 -1.87 117.38 110.48 1oql n GLN 48 Ca 0.17 -0.45 -0.34 0.00 -0.01 0.00 0.00 57.00 56.37 1oql n GLN 48 Cb 0.10 -0.95 -0.13 0.00 1.02 0.00 0.00 30.24 30.28 1oql n GLN 48 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1oql s LEU 49 N -0.04 3.13 -0.06 1.08 2.01 -0.99 -4.09 118.68 119.72 1oql s LEU 49 Ca 0.00 -0.22 0.06 0.00 0.01 0.00 0.00 54.13 53.98 1oql s LEU 49 Cb 0.00 -1.77 -0.01 0.00 0.01 0.00 0.00 46.19 44.43 1oql s LEU 49 CO 0.00 0.11 -0.24 0.26 1.01 0.00 0.00 176.35 177.49 1oql s TRP 50 N 0.72 2.33 -0.29 0.29 0.52 0.49 -4.37 118.94 118.62 1oql s TRP 50 Ca -0.02 -0.69 -0.15 0.00 0.02 0.00 0.00 56.10 55.25 1oql s TRP 50 Cb -0.15 -1.53 -0.03 0.00 -1.15 0.00 0.00 33.47 30.61 1oql s TRP 50 CO 0.02 -0.21 0.39 0.99 0.02 0.00 0.00 176.95 178.16 1oql s THR 51 N -0.13 5.15 -1.03 2.01 2.01 0.01 0.48 115.64 124.15 1oql s THR 51 Ca -0.04 0.45 -0.23 0.00 0.31 0.00 0.00 61.69 62.19 1oql s THR 51 Cb -0.13 -3.76 0.05 0.00 0.01 0.00 0.00 72.50 68.66 1oql s THR 51 CO 0.04 0.06 1.48 -0.63 -0.69 0.00 0.00 174.62 174.88 1oql s ILE 52 N 2.11 3.91 0.67 1.82 1.09 0.30 -1.92 121.20 129.18 1oql s ILE 52 Ca 0.15 -0.79 -0.12 0.00 -1.10 0.00 0.00 60.65 58.79 1oql s ILE 52 Cb -0.16 -5.02 -0.00 0.00 -1.06 0.00 0.00 42.46 36.22 1oql s ILE 52 CO 0.11 -1.90 1.06 -0.54 -0.10 0.00 0.00 174.94 173.56 1oql s LYS 53 N 5.04 3.04 0.00 2.79 1.02 -1.01 -4.11 119.74 126.51 1oql s LYS 53 Ca 0.47 0.99 0.29 0.00 0.02 0.00 0.00 55.97 57.75 1oql s LYS 53 Cb -0.00 -2.00 1.30 0.00 -0.52 0.00 0.00 37.83 36.60 1oql s LYS 53 CO -0.09 -1.02 1.95 2.89 -0.92 0.00 0.00 175.35 178.17 1oql n ARG 54 N -2.91 0.09 -0.02 1.68 1.85 -1.26 -3.22 116.66 112.87 1oql n ARG 54 Ca 0.08 -0.00 0.13 0.00 -1.00 0.00 0.00 57.85 57.05 1oql n ARG 54 Cb 0.53 -1.50 0.57 0.00 -1.05 0.00 0.00 32.46 31.02 1oql n ARG 54 CO 0.00 0.00 0.00 -0.40 -0.01 0.00 0.00 177.63 177.22 1oql n ASP 55 N -1.46 1.00 0.00 2.89 5.75 -1.26 -4.89 116.55 118.58 1oql n ASP 55 Ca 0.08 -1.44 0.00 0.00 -0.01 0.00 0.00 54.79 53.42 1oql n ASP 55 Cb 0.32 -0.03 0.00 0.00 -1.03 0.00 0.00 41.12 40.38 1oql n ASP 55 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1oql n GLY 56 N 1.06 2.91 3.76 6.12 0.00 -1.20 -4.98 105.19 112.87 1oql n GLY 56 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 1oql n GLY 56 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1oql s THR 57 N -2.59 2.56 -0.16 2.61 -4.23 -1.26 -2.38 115.64 110.20 1oql s THR 57 Ca 0.00 0.18 -0.03 0.00 -1.18 0.00 0.00 61.69 60.66 1oql s THR 57 Cb 0.00 -2.84 0.05 0.00 1.34 0.00 0.00 72.50 71.06 1oql s THR 57 CO 0.00 -0.24 0.04 -0.63 -0.54 0.00 0.00 174.62 173.25 1oql s ILE 58 N -3.11 0.37 0.01 2.99 1.01 -1.26 -2.40 121.20 118.80 1oql s ILE 58 Ca 0.63 -0.33 0.07 0.00 0.00 0.00 0.00 60.65 61.03 1oql s ILE 58 Cb -0.16 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.46 1oql s ILE 58 CO 0.55 -0.12 -0.22 -0.13 0.00 0.00 0.00 174.94 175.02 1oql s ARG 59 N 1.94 2.08 -0.11 2.79 0.52 -0.81 -1.62 118.95 123.75 1oql s ARG 59 Ca 0.01 -0.96 0.03 0.00 -0.52 0.00 0.00 55.73 54.30 1oql s ARG 59 Cb -0.16 -2.12 0.00 0.00 0.52 0.00 0.00 34.95 33.20 1oql s ARG 59 CO -0.07 0.55 -0.22 0.45 0.02 0.00 0.00 175.30 176.03 1oql s SER 60 N -1.04 2.90 -1.41 0.23 0.15 -0.02 -0.81 113.70 113.71 1oql s SER 60 Ca 0.12 -0.53 -0.13 0.00 0.70 0.00 0.00 55.95 56.11 1oql s SER 60 Cb -0.10 -1.33 0.11 0.00 -1.71 0.00 0.00 66.02 62.99 1oql s SER 60 CO 0.02 0.12 0.60 -3.20 1.20 0.00 0.00 173.24 171.97 1oql n ASN 61 N 3.73 -3.46 0.00 5.45 5.15 -1.26 -0.46 115.26 124.41 1oql n ASN 61 Ca -0.20 -0.61 0.00 0.00 -0.60 0.00 0.00 54.58 53.17 1oql n ASN 61 Cb 0.52 -2.86 0.00 0.00 -0.53 0.00 0.00 39.78 36.91 1oql n ASN 61 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1oql n GLY 62 N -1.23 2.31 3.97 8.20 0.00 -1.26 -5.03 105.19 112.15 1oql n GLY 62 Ca 0.03 0.00 -0.21 0.00 0.00 0.00 0.00 46.02 45.84 1oql n GLY 62 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1oql s SER 63 N -2.68 5.83 -0.05 1.61 0.01 0.40 -4.57 113.70 114.24 1oql s SER 63 Ca 0.00 0.02 -0.06 0.00 1.31 0.00 0.00 55.95 57.22 1oql s SER 63 Cb 0.00 -1.30 -0.04 0.00 0.21 0.00 0.00 66.02 64.89 1oql s SER 63 CO 0.00 -0.63 0.20 0.00 0.41 0.00 0.00 173.24 173.22 1oql s LEU 65 N -1.51 3.45 0.07 0.00 2.96 -0.64 -0.61 118.68 122.40 1oql s LEU 65 Ca 0.22 0.28 0.08 0.00 -0.22 0.00 0.00 54.13 54.50 1oql s LEU 65 Cb -0.13 -3.17 -0.03 0.00 0.50 0.00 0.00 46.19 43.36 1oql s LEU 65 CO 0.12 -1.58 -0.20 -0.89 -1.32 0.00 0.00 176.35 172.48 1oql s THR 66 N 5.52 2.65 0.06 3.68 2.01 0.21 -4.57 115.64 125.19 1oql s THR 66 Ca 0.50 -1.38 -0.13 0.00 0.31 0.00 0.00 61.69 60.98 1oql s THR 66 Cb -0.10 -2.14 -0.06 0.00 0.01 0.00 0.00 72.50 70.21 1oql s THR 66 CO 0.26 0.24 0.44 0.28 -0.69 0.00 0.00 174.62 175.16 1oql s THR 67 N -0.99 5.00 0.19 -0.82 -1.32 -0.47 0.13 115.64 117.37 1oql s THR 67 Ca 0.15 0.72 0.27 0.00 -1.21 0.00 0.00 61.69 61.63 1oql s THR 67 Cb -0.10 -3.70 0.28 0.00 -1.51 0.00 0.00 72.50 67.47 1oql s THR 67 CO 0.06 0.41 1.92 0.22 -2.21 0.00 0.00 174.62 175.02 1oql h TYR 68 N 4.12 0.00 -0.18 9.09 3.20 -1.32 -3.46 116.97 128.42 1oql h TYR 68 Ca -0.50 0.00 0.00 0.00 3.14 0.00 0.00 58.73 61.37 1oql h TYR 68 Cb 1.20 0.00 0.00 0.00 1.54 0.00 0.00 36.73 39.47 1oql h TYR 68 CO 0.68 0.15 0.00 0.41 -1.64 0.00 0.00 178.16 177.76 1oql n GLY 69 N -0.06 1.90 1.72 1.82 0.00 -1.26 -5.02 105.19 104.29 1oql n GLY 69 Ca -0.00 -0.47 -0.04 0.00 0.00 0.00 0.00 46.02 45.51 1oql n GLY 69 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1oql n TYR 70 N 0.00 1.02 -4.46 1.61 4.01 -1.26 -4.95 117.16 113.13 1oql n TYR 70 Ca 0.00 -1.60 -0.22 0.00 -0.16 0.00 0.00 57.90 55.92 1oql n TYR 70 Cb 0.00 -0.25 -0.16 0.00 -0.31 0.00 0.00 39.34 38.63 1oql n TYR 70 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1oql s THR 71 N -2.96 0.90 -0.01 -0.72 2.01 -1.26 -4.97 115.64 108.62 1oql s THR 71 Ca 0.38 -0.41 -0.35 0.00 0.31 0.00 0.00 61.69 61.62 1oql s THR 71 Cb 0.37 -0.80 -0.13 0.00 0.01 0.00 0.00 72.50 71.95 1oql s THR 71 CO -0.06 0.28 1.72 0.00 -0.69 0.00 0.00 174.62 175.87 1oql n ALA 72 N 3.37 0.75 0.00 7.40 0.00 -1.26 -2.09 120.51 128.68 1oql n ALA 72 Ca -0.19 0.37 0.00 0.00 0.00 0.00 0.00 53.44 53.62 1oql n ALA 72 Cb 0.54 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.60 1oql n ALA 72 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1oql n GLY 73 N 3.88 2.01 3.80 0.00 0.00 -0.27 -5.00 105.19 109.60 1oql n GLY 73 Ca 0.21 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.88 1oql n GLY 73 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1oql s VAL 74 N -2.21 4.03 0.69 1.61 -7.23 -0.89 -4.84 120.40 111.57 1oql s VAL 74 Ca 0.00 1.41 -0.12 0.00 -1.81 0.00 0.00 61.98 61.46 1oql s VAL 74 Cb 0.00 -3.65 0.01 0.00 0.56 0.00 0.00 36.38 33.30 1oql s VAL 74 CO 0.00 -0.14 1.07 -0.72 -0.31 0.00 0.00 175.10 175.00 1oql s TYR 75 N -1.90 2.94 -0.07 2.82 -0.85 -1.26 -2.33 117.35 116.70 1oql s TYR 75 Ca 0.60 1.48 -0.04 0.00 -0.52 0.00 0.00 57.07 58.58 1oql s TYR 75 Cb -0.16 -2.96 -0.04 0.00 0.38 0.00 0.00 41.96 39.18 1oql s TYR 75 CO 0.20 -1.37 0.14 0.08 -1.52 0.00 0.00 175.55 173.08 1oql s VAL 76 N -2.87 5.30 0.31 -3.49 1.01 -0.60 -0.89 120.40 119.17 1oql s VAL 76 Ca 0.60 -0.02 0.06 0.00 0.00 0.00 0.00 61.98 62.62 1oql s VAL 76 Cb -0.15 -3.37 -0.03 0.00 0.00 0.00 0.00 36.38 32.82 1oql s VAL 76 CO 0.51 0.49 0.24 0.00 0.00 0.00 0.00 175.10 176.34 1oql s MET 77 N -1.40 1.66 -0.04 2.72 0.23 0.35 -1.85 119.30 120.97 1oql s MET 77 Ca 0.20 -1.95 -0.13 0.00 -1.03 0.00 0.00 55.69 52.78 1oql s MET 77 Cb -0.12 0.26 -0.05 0.00 -1.53 0.00 0.00 34.83 33.39 1oql s MET 77 CO 0.10 -0.59 0.34 -1.50 -2.03 0.00 0.00 175.02 171.34 1oql s ILE 78 N -3.57 5.15 0.03 3.16 1.10 -0.50 0.65 121.20 127.23 1oql s ILE 78 Ca 0.40 0.68 -0.26 0.00 -0.51 0.00 0.00 60.65 60.96 1oql s ILE 78 Cb 0.03 -3.64 0.06 0.00 0.15 0.00 0.00 42.46 39.07 1oql s ILE 78 CO 0.24 0.58 0.61 0.12 -2.11 0.00 0.00 174.94 174.37 1oql s PHE 79 N -0.98 -0.55 0.06 3.50 5.36 0.22 -0.96 117.98 124.62 1oql s PHE 79 Ca 0.21 0.71 -0.31 0.00 -0.96 0.00 0.00 56.93 56.59 1oql s PHE 79 Cb -0.15 0.43 -0.10 0.00 -0.34 0.00 0.00 43.02 42.85 1oql s PHE 79 CO 0.11 -0.68 1.93 -3.47 -1.46 0.00 0.00 175.22 171.65 1oql n ASP 80 N 0.43 4.09 0.25 6.13 -0.08 -1.26 0.39 116.55 126.50 1oql n ASP 80 Ca -0.18 0.93 0.08 0.00 -1.51 0.00 0.00 54.79 54.11 1oql n ASP 80 Cb 0.60 -1.52 0.63 0.00 2.34 0.00 0.00 41.12 43.17 1oql n ASP 80 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1oql h ASN 82 N 0.00 0.00 0.00 0.00 2.35 -1.94 -3.37 115.58 112.62 1oql h ASN 82 Ca -0.00 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.75 1oql h ASN 82 Cb 0.12 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.49 1oql h ASN 82 CO 0.01 0.26 -0.69 0.35 -1.65 0.00 0.00 177.43 175.71 1oql n THR 83 N -2.93 0.00 -1.85 2.81 -2.24 -1.06 -5.01 114.28 104.00 1oql n THR 83 Ca -0.02 -0.21 -0.32 0.00 -2.27 0.00 0.00 64.05 61.24 1oql n THR 83 Cb 0.67 0.93 0.03 0.00 -2.10 0.00 0.00 70.33 69.85 1oql n THR 83 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oql s ALA 84 N -2.27 2.74 -0.11 6.98 0.00 -0.32 -4.93 121.76 123.85 1oql s ALA 84 Ca 0.04 0.23 -0.29 0.00 0.00 0.00 0.00 51.96 51.94 1oql s ALA 84 Cb 0.10 -3.20 -0.06 0.00 0.00 0.00 0.00 23.12 19.96 1oql s ALA 84 CO 0.53 -0.96 1.98 0.08 0.00 0.00 0.00 175.76 177.39 1oql s VAL 85 N -2.75 3.17 0.26 0.00 1.01 -1.26 -4.87 120.40 115.97 1oql s VAL 85 Ca 0.61 0.19 -0.07 0.00 0.00 0.00 0.00 61.98 62.71 1oql s VAL 85 Cb -0.15 -3.17 0.34 0.00 0.00 0.00 0.00 36.38 33.41 1oql s VAL 85 CO 0.45 -0.07 1.60 -0.09 0.00 0.00 0.00 175.10 177.00 1oql h ARG 86 N 12.26 0.04 -0.07 2.72 9.65 -1.91 0.90 114.38 137.96 1oql h ARG 86 Ca -0.43 -0.00 0.02 0.00 -1.10 0.00 0.00 59.98 58.47 1oql h ARG 86 Cb 1.22 -0.01 -0.00 0.00 -1.39 0.00 0.00 29.97 29.79 1oql h ARG 86 CO 0.96 0.03 0.06 0.93 2.80 0.00 0.00 179.97 184.75 1oql h GLU 87 N 0.04 0.00 0.00 0.20 3.07 -1.97 -0.49 114.58 115.43 1oql h GLU 87 Ca 0.45 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.31 1oql h GLU 87 Cb 0.78 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.69 1oql h GLU 87 CO -0.80 0.00 0.00 0.00 -1.40 0.00 0.00 179.01 176.81 1oql n ALA 88 N -2.47 2.36 0.39 3.43 0.00 0.31 -3.23 120.51 121.28 1oql n ALA 88 Ca -0.01 -0.13 0.05 0.00 0.00 0.00 0.00 53.44 53.35 1oql n ALA 88 Cb 0.17 -1.44 0.06 0.00 0.00 0.00 0.00 19.45 18.23 1oql n ALA 88 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oql n THR 89 N -1.28 0.11 -3.60 0.00 -2.24 -0.19 -1.37 114.28 105.70 1oql n THR 89 Ca 0.13 -0.55 -0.38 0.00 -2.27 0.00 0.00 64.05 60.98 1oql n THR 89 Cb 0.21 1.15 -0.06 0.00 -2.10 0.00 0.00 70.33 69.53 1oql n THR 89 CO 0.00 0.00 0.00 -0.76 -0.57 0.00 0.00 175.07 173.74 1oql s LEU 90 N -0.92 4.44 0.06 3.22 1.43 -1.20 -4.06 118.68 121.66 1oql s LEU 90 Ca 0.14 0.81 -0.06 0.00 -1.03 0.00 0.00 54.13 54.00 1oql s LEU 90 Cb 0.09 -2.44 -0.01 0.00 0.03 0.00 0.00 46.19 43.86 1oql s LEU 90 CO 0.14 0.34 0.10 0.26 0.23 0.00 0.00 176.35 177.42 1oql s TRP 91 N -1.00 0.26 -0.14 0.29 0.52 -1.00 -4.23 118.94 113.64 1oql s TRP 91 Ca 0.21 -0.68 0.01 0.00 0.02 0.00 0.00 56.10 55.66 1oql s TRP 91 Cb -0.15 -0.17 0.02 0.00 -1.15 0.00 0.00 33.47 32.01 1oql s TRP 91 CO 0.10 -0.44 -0.15 -0.65 0.02 0.00 0.00 176.95 175.83 1oql s GLN 92 N -3.47 2.37 -0.39 4.98 -0.21 -0.10 -4.81 119.66 118.04 1oql s GLN 92 Ca 0.02 -0.60 -0.18 0.00 0.02 0.00 0.00 55.36 54.63 1oql s GLN 92 Cb 0.04 -2.10 0.01 0.00 1.00 0.00 0.00 33.01 31.96 1oql s GLN 92 CO -0.09 -0.17 0.47 0.42 -2.12 0.00 0.00 175.29 173.81 1oql s ILE 93 N 1.28 5.05 0.35 1.08 1.01 -1.26 -1.22 121.20 127.49 1oql s ILE 93 Ca 0.01 -0.03 -0.10 0.00 0.00 0.00 0.00 60.65 60.52 1oql s ILE 93 Cb -0.14 -4.00 -0.07 0.00 0.01 0.00 0.00 42.46 38.26 1oql s ILE 93 CO -0.08 -0.33 0.71 0.26 0.00 0.00 0.00 174.94 175.50 1oql s TRP 94 N 2.28 3.45 0.47 3.97 0.51 -0.08 -4.99 118.94 124.54 1oql s TRP 94 Ca 0.15 1.00 0.15 0.00 -2.12 0.00 0.00 56.10 55.29 1oql s TRP 94 Cb -0.16 -2.39 1.14 0.00 -0.81 0.00 0.00 33.47 31.25 1oql s TRP 94 CO 0.14 0.02 2.05 0.78 -0.51 0.00 0.00 176.95 179.42 1oql h GLY 95 N 1.65 0.30 -1.32 0.98 0.00 -1.97 -1.08 103.07 101.63 1oql h GLY 95 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 47.33 46.76 1oql h GLY 95 CO 0.65 0.07 0.00 1.16 0.00 0.00 0.00 176.54 178.42 1oql n ASN 96 N -4.47 1.92 0.00 0.19 0.23 -1.26 -4.92 115.26 106.94 1oql n ASN 96 Ca 0.05 -2.07 0.00 0.00 -0.53 0.00 0.00 54.58 52.03 1oql n ASN 96 Cb 0.28 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.71 1oql n ASN 96 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 1oql n GLY 97 N 0.88 0.26 3.72 4.83 0.00 -0.41 -4.85 105.19 109.62 1oql n GLY 97 Ca 0.11 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.72 1oql n GLY 97 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1oql s THR 98 N -2.07 4.92 -0.27 2.61 2.01 -1.26 -0.33 115.64 121.25 1oql s THR 98 Ca 0.00 1.69 -0.06 0.00 0.31 0.00 0.00 61.69 63.63 1oql s THR 98 Cb 0.00 -4.15 0.01 0.00 0.01 0.00 0.00 72.50 68.37 1oql s THR 98 CO 0.00 0.24 0.04 -0.63 -0.69 0.00 0.00 174.62 173.59 1oql s ILE 99 N 0.69 3.76 0.02 1.82 1.01 -1.26 -0.90 121.20 126.34 1oql s ILE 99 Ca 0.43 -0.67 0.05 0.00 0.00 0.00 0.00 60.65 60.45 1oql s ILE 99 Cb -0.19 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.35 1oql s ILE 99 CO 0.22 0.16 -0.10 -0.51 0.00 0.00 0.00 174.94 174.71 1oql s ILE 100 N 1.48 3.37 -0.50 2.92 2.07 -0.36 -1.34 121.20 128.84 1oql s ILE 100 Ca 0.03 -0.93 -0.17 0.00 -1.41 0.00 0.00 60.65 58.17 1oql s ILE 100 Cb -0.17 -2.46 0.08 0.00 0.13 0.00 0.00 42.46 40.05 1oql s ILE 100 CO 0.01 0.36 0.50 0.21 -1.91 0.00 0.00 174.94 174.11 1oql s ASN 101 N -1.47 6.18 0.21 4.50 3.84 0.48 -0.92 114.94 127.76 1oql s ASN 101 Ca 0.17 -1.30 -0.09 0.00 0.21 0.00 0.00 52.86 51.85 1oql s ASN 101 Cb -0.11 -2.23 0.27 0.00 -0.55 0.00 0.00 41.25 38.63 1oql s ASN 101 CO 0.07 -0.79 1.76 1.55 -2.79 0.00 0.00 177.10 176.90 1oql h PRO 102 N 8.88 0.45 -0.75 0.43 0.13 -1.83 0.21 132.00 139.51 1oql h PRO 102 Ca -0.29 -0.03 0.04 0.00 -0.87 0.00 0.00 66.00 64.86 1oql h PRO 102 Cb 1.10 -0.10 -0.05 0.00 0.13 0.00 0.00 31.00 32.08 1oql h PRO 102 CO 0.95 0.30 0.46 -0.09 -0.23 0.00 0.00 178.00 179.39 1oql h ARG 103 N 0.46 0.85 0.00 0.86 9.65 -1.89 -2.86 114.38 121.46 1oql h ARG 103 Ca 0.30 -0.05 0.00 0.00 -1.10 0.00 0.00 59.98 59.13 1oql h ARG 103 Cb 0.34 -0.19 0.00 0.00 -1.39 0.00 0.00 29.97 28.73 1oql h ARG 103 CO -0.28 0.56 -0.89 -1.13 2.80 0.00 0.00 179.97 181.03 1oql n SER 104 N -4.66 0.70 -2.50 -3.80 3.41 -1.12 -4.95 113.62 100.70 1oql n SER 104 Ca 0.09 0.08 -0.21 0.00 -0.26 0.00 0.00 58.87 58.58 1oql n SER 104 Cb 0.12 0.48 0.00 0.00 -0.26 0.00 0.00 64.21 64.56 1oql n SER 104 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1oql n ASN 105 N -2.24 -5.85 -4.55 4.04 5.15 0.70 -4.98 115.26 107.54 1oql n ASN 105 Ca 0.02 -0.10 -0.26 0.00 -0.60 0.00 0.00 54.58 53.64 1oql n ASN 105 Cb 0.47 -4.80 -0.09 0.00 -0.53 0.00 0.00 39.78 34.83 1oql n ASN 105 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1oql s LEU 106 N -6.03 2.90 0.18 1.20 1.02 -1.16 -4.68 118.68 112.12 1oql s LEU 106 Ca 0.09 -0.66 0.10 0.00 0.02 0.00 0.00 54.13 53.68 1oql s LEU 106 Cb -0.04 -1.55 -0.04 0.00 0.02 0.00 0.00 46.19 44.57 1oql s LEU 106 CO 0.11 0.09 -0.18 0.68 0.02 0.00 0.00 176.35 177.07 1oql s VAL 107 N -1.84 2.70 0.21 -1.59 -7.23 0.50 -0.38 120.40 112.77 1oql s VAL 107 Ca 0.25 -1.85 -0.31 0.00 -1.81 0.00 0.00 61.98 58.26 1oql s VAL 107 Cb -0.08 -2.31 -0.10 0.00 0.56 0.00 0.00 36.38 34.45 1oql s VAL 107 CO 0.15 -0.10 1.54 -0.22 -0.31 0.00 0.00 175.10 176.17 1oql s LEU 108 N -2.69 4.37 0.06 1.32 2.96 -0.45 -1.07 118.68 123.18 1oql s LEU 108 Ca 0.22 2.70 -0.10 0.00 -0.22 0.00 0.00 54.13 56.73 1oql s LEU 108 Cb -0.08 -3.61 0.00 0.00 0.50 0.00 0.00 46.19 43.00 1oql s LEU 108 CO 0.12 -0.81 0.21 0.00 -1.32 0.00 0.00 176.35 174.55 1oql s ALA 109 N 0.62 -0.36 -0.58 5.97 0.00 0.61 -4.56 121.76 123.45 1oql s ALA 109 Ca 0.66 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 52.31 1oql s ALA 109 Cb -0.44 0.35 0.14 0.00 0.00 0.00 0.00 23.12 23.17 1oql s ALA 109 CO 0.37 -0.41 0.34 0.00 0.00 0.00 0.00 175.76 176.06 1oql s ALA 110 N -2.96 3.38 0.46 0.00 0.00 -0.60 -0.77 121.76 121.27 1oql s ALA 110 Ca -0.02 -3.42 0.34 0.00 0.00 0.00 0.00 51.96 48.87 1oql s ALA 110 Cb 0.01 -2.13 1.50 0.00 0.00 0.00 0.00 23.12 22.49 1oql s ALA 110 CO -0.06 -2.05 1.61 0.66 0.00 0.00 0.00 175.76 175.92 1oql h SER 111 N 6.11 0.18 -2.92 0.00 4.64 -1.86 -3.41 113.55 116.29 1oql h SER 111 Ca 0.01 0.11 -0.49 0.00 -0.47 0.00 0.00 61.79 60.95 1oql h SER 111 Cb 0.85 0.11 -0.14 0.00 -0.31 0.00 0.00 62.40 62.90 1oql h SER 111 CO 0.68 -0.16 -0.70 -0.44 -0.87 0.00 0.00 176.83 175.34 1oql s SER 112 N -4.36 2.81 0.00 4.97 0.01 -1.26 -5.02 113.70 110.84 1oql s SER 112 Ca -0.07 -1.12 0.22 0.00 1.31 0.00 0.00 55.95 56.29 1oql s SER 112 Cb 0.29 -0.18 0.49 0.00 0.21 0.00 0.00 66.02 66.84 1oql s SER 112 CO 0.84 -0.25 1.43 0.61 0.41 0.00 0.00 173.24 176.28 1oql n GLY 113 N -0.53 2.04 3.84 3.44 0.00 -1.26 -4.90 105.19 107.82 1oql n GLY 113 Ca -0.06 -0.73 -0.35 0.00 0.00 0.00 0.00 46.02 44.88 1oql n GLY 113 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1oql s ILE 114 N -1.26 4.77 0.48 -0.61 -4.36 -1.26 -4.86 121.20 114.10 1oql s ILE 114 Ca 0.41 0.92 -0.24 0.00 -0.26 0.00 0.00 60.65 61.48 1oql s ILE 114 Cb 0.23 -3.74 -0.07 0.00 1.25 0.00 0.00 42.46 40.12 1oql s ILE 114 CO 0.31 0.16 1.36 2.29 0.24 0.00 0.00 174.94 179.30 1oql n LYS 115 N 0.57 1.96 0.00 0.37 2.85 -1.26 -2.23 118.16 120.42 1oql n LYS 115 Ca -0.03 0.71 0.00 0.00 -1.05 0.00 0.00 58.31 57.94 1oql n LYS 115 Cb 0.52 -2.55 0.00 0.00 -0.65 0.00 0.00 35.03 32.35 1oql n LYS 115 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 177.40 177.76 1oql n GLY 116 N 0.71 1.79 3.71 2.58 0.00 -0.11 -5.01 105.19 108.86 1oql n GLY 116 Ca 0.07 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.66 1oql n GLY 116 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1oql n THR 117 N -2.00 0.60 -3.05 2.61 -1.04 -0.95 -4.69 114.28 105.76 1oql n THR 117 Ca 0.00 -0.15 -0.40 0.00 -2.04 0.00 0.00 64.05 61.46 1oql n THR 117 Cb 0.00 -1.82 -0.05 0.00 -1.82 0.00 0.00 70.33 66.64 1oql n THR 117 CO 0.00 0.00 0.00 -0.89 -0.64 0.00 0.00 175.07 173.54 1oql s THR 118 N 0.42 5.01 0.47 12.58 2.01 -1.26 -1.04 115.64 133.84 1oql s THR 118 Ca 0.70 1.38 -0.23 0.00 0.31 0.00 0.00 61.69 63.85 1oql s THR 118 Cb -0.55 -4.02 -0.07 0.00 0.01 0.00 0.00 72.50 67.87 1oql s THR 118 CO 0.43 0.17 1.27 -0.76 -0.69 0.00 0.00 174.62 175.04 1oql s LEU 119 N 1.37 4.02 0.24 4.42 1.02 -0.22 -4.65 118.68 124.88 1oql s LEU 119 Ca 0.35 2.56 -0.00 0.00 0.02 0.00 0.00 54.13 57.05 1oql s LEU 119 Cb -0.17 -4.15 -0.03 0.00 0.02 0.00 0.00 46.19 41.85 1oql s LEU 119 CO 0.14 -1.11 0.20 0.42 0.02 0.00 0.00 176.35 176.02 1oql s THR 120 N -1.39 0.00 -0.17 5.49 -4.23 0.05 -1.56 115.64 113.83 1oql s THR 120 Ca 0.64 -1.94 -0.08 0.00 -1.18 0.00 0.00 61.69 59.13 1oql s THR 120 Cb -0.35 -2.48 -0.04 0.00 1.34 0.00 0.00 72.50 70.96 1oql s THR 120 CO 0.43 0.00 0.11 0.68 -0.54 0.00 0.00 174.62 175.30 1oql s VAL 121 N -3.96 5.22 0.25 2.29 -7.23 -0.99 -0.28 120.40 115.70 1oql s VAL 121 Ca 0.38 0.11 0.01 0.00 -1.81 0.00 0.00 61.98 60.68 1oql s VAL 121 Cb 0.05 -3.34 -0.04 0.00 0.56 0.00 0.00 36.38 33.61 1oql s VAL 121 CO 0.15 0.50 0.15 -1.10 -0.31 0.00 0.00 175.10 174.50 1oql s GLN 122 N -0.06 1.38 0.35 4.82 -1.52 -0.23 -1.12 119.66 123.28 1oql s GLN 122 Ca 0.09 -1.76 -0.28 0.00 -1.95 0.00 0.00 55.36 51.46 1oql s GLN 122 Cb -0.12 0.13 -0.10 0.00 -0.22 0.00 0.00 33.01 32.71 1oql s GLN 122 CO 0.00 -0.43 1.30 0.99 -0.25 0.00 0.00 175.29 176.91 1oql s THR 123 N -3.90 2.72 -0.12 -0.19 2.01 -1.26 -0.37 115.64 114.52 1oql s THR 123 Ca 0.38 0.70 -0.29 0.00 0.31 0.00 0.00 61.69 62.80 1oql s THR 123 Cb 0.06 -3.44 -0.06 0.00 0.01 0.00 0.00 72.50 69.07 1oql s THR 123 CO 0.16 0.15 2.09 -0.22 -0.69 0.00 0.00 174.62 176.11 1oql s LEU 124 N -1.96 3.84 -0.01 4.42 2.96 -1.26 -4.82 118.68 121.86 1oql s LEU 124 Ca 0.51 2.17 0.01 0.00 -0.22 0.00 0.00 54.13 56.60 1oql s LEU 124 Cb -0.39 -3.52 0.01 0.00 0.50 0.00 0.00 46.19 42.80 1oql s LEU 124 CO 0.51 -1.58 0.73 -0.90 -1.32 0.00 0.00 176.35 173.79 1oql n ASP 125 N 9.96 0.72 -3.04 3.68 5.68 -1.26 -5.04 116.55 127.26 1oql n ASP 125 Ca 0.25 -1.50 -0.20 0.00 -0.50 0.00 0.00 54.79 52.85 1oql n ASP 125 Cb 0.44 -0.04 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1oql n ASP 125 CO 0.00 0.00 0.00 -1.22 -1.33 0.00 0.00 177.20 174.65 1oql n TYR 126 N -0.22 -1.72 -2.73 2.11 4.02 -1.26 -4.74 117.16 112.62 1oql n TYR 126 Ca 0.01 0.35 -0.21 0.00 -0.01 0.00 0.00 57.90 58.04 1oql n TYR 126 Cb 0.45 -3.26 0.06 0.00 -0.02 0.00 0.00 39.34 36.56 1oql n TYR 126 CO 0.00 0.00 0.00 0.95 -1.01 0.00 0.00 176.86 176.80 1oql s THR 127 N -2.91 2.49 0.22 -0.72 -4.23 -1.26 -4.17 115.64 105.05 1oql s THR 127 Ca 0.27 -0.74 -0.08 0.00 -1.18 0.00 0.00 61.69 59.97 1oql s THR 127 Cb -0.14 -2.75 0.17 0.00 1.34 0.00 0.00 72.50 71.12 1oql s THR 127 CO 0.33 0.00 1.80 -0.07 -0.54 0.00 0.00 174.62 176.14 1oql h LEU 128 N -0.01 1.10 -1.47 4.79 3.38 -1.37 -1.13 115.31 120.61 1oql h LEU 128 Ca -0.38 -0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.43 1oql h LEU 128 Cb 1.29 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.75 1oql h LEU 128 CO 0.46 0.95 0.02 1.23 0.09 0.00 0.00 178.44 181.20 1oql h GLY 129 N 1.18 0.00 -1.93 0.83 0.00 -1.79 0.71 103.07 102.08 1oql h GLY 129 Ca 0.28 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.61 1oql h GLY 129 CO -0.03 0.00 0.00 -1.06 0.00 0.00 0.00 176.54 175.45 1oql n GLN 130 N -2.28 2.56 -3.89 4.80 6.02 -0.43 -1.56 117.38 122.60 1oql n GLN 130 Ca -0.01 -2.23 -0.35 0.00 -0.01 0.00 0.00 57.00 54.39 1oql n GLN 130 Cb 0.06 -1.41 -0.10 0.00 1.02 0.00 0.00 30.24 29.81 1oql n GLN 130 CO 0.00 0.00 0.00 0.20 -1.01 0.00 0.00 177.06 176.25 1oql s GLY 131 N -1.09 1.91 0.21 1.08 0.00 0.24 -4.12 107.32 105.56 1oql s GLY 131 Ca 0.34 -0.82 0.06 0.00 0.00 0.00 0.00 44.72 44.30 1oql s GLY 131 CO 0.25 0.19 -0.11 -0.98 0.00 0.00 0.00 173.10 172.45 1oql s TRP 132 N 0.67 1.63 -0.20 1.90 0.52 0.55 -3.69 118.94 120.33 1oql s TRP 132 Ca 0.05 -0.67 -0.04 0.00 0.02 0.00 0.00 56.10 55.45 1oql s TRP 132 Cb -0.13 -0.82 0.10 0.00 -1.15 0.00 0.00 33.47 31.47 1oql s TRP 132 CO 0.01 0.24 0.27 -1.17 0.02 0.00 0.00 176.95 176.32 1oql s LEU 133 N -3.30 -0.28 -0.25 2.99 2.96 0.53 -4.40 118.68 116.94 1oql s LEU 133 Ca 0.23 0.03 -0.27 0.00 -0.22 0.00 0.00 54.13 53.90 1oql s LEU 133 Cb 0.01 0.63 0.00 0.00 0.50 0.00 0.00 46.19 47.33 1oql s LEU 133 CO 0.06 -0.31 0.94 0.00 -1.32 0.00 0.00 176.35 175.72 1oql s ALA 134 N 2.40 3.65 0.00 5.97 0.00 -1.26 -1.53 121.76 130.99 1oql s ALA 134 Ca 0.07 -0.01 0.00 0.00 0.00 0.00 0.00 51.96 52.02 1oql s ALA 134 Cb -0.15 -3.43 0.00 0.00 0.00 0.00 0.00 23.12 19.54 1oql s ALA 134 CO -0.12 -1.04 0.00 0.41 0.00 0.00 0.00 175.76 175.01 1oql n GLY 135 N 3.60 2.40 0.18 0.00 0.00 0.48 -4.99 105.19 106.87 1oql n GLY 135 Ca 0.09 -0.51 0.14 0.00 0.00 0.00 0.00 46.02 45.74 1oql n GLY 135 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 1oql h ASN 136 N 0.00 0.00 -1.91 1.61 2.35 -1.91 -3.31 115.58 112.40 1oql h ASN 136 Ca 0.00 0.00 -0.66 0.00 -0.55 0.00 0.00 56.30 55.09 1oql h ASN 136 Cb 0.00 0.00 -0.15 0.00 0.05 0.00 0.00 38.32 38.22 1oql h ASN 136 CO 0.00 0.00 1.12 -0.62 -1.65 0.00 0.00 177.43 176.28 1oql s ASP 137 N -4.75 6.61 0.25 5.81 -1.08 -1.26 -4.83 116.67 117.43 1oql s ASP 137 Ca 0.03 -1.91 0.24 0.00 -0.52 0.00 0.00 52.55 50.40 1oql s ASP 137 Cb 0.09 -2.46 0.95 0.00 -1.46 0.00 0.00 42.92 40.04 1oql s ASP 137 CO 0.45 -1.20 1.73 0.35 0.52 0.00 0.00 175.17 177.02 1oql n THR 138 N 5.94 0.78 -2.63 1.71 -2.24 -1.26 -4.80 114.28 111.78 1oql n THR 138 Ca 0.28 0.12 -0.40 0.00 -2.27 0.00 0.00 64.05 61.79 1oql n THR 138 Cb 0.49 -1.04 -0.05 0.00 -2.10 0.00 0.00 70.33 67.63 1oql n THR 138 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1oql s ALA 139 N -3.28 3.34 0.66 6.98 0.00 -1.26 -4.95 121.76 123.26 1oql s ALA 139 Ca 0.05 0.73 -0.17 0.00 0.00 0.00 0.00 51.96 52.58 1oql s ALA 139 Cb 0.10 -3.26 0.00 0.00 0.00 0.00 0.00 23.12 19.96 1oql s ALA 139 CO 0.44 0.03 1.22 -2.14 0.00 0.00 0.00 175.76 175.31 1oql s PRO 140 N -1.43 2.52 -0.34 0.00 0.02 -1.26 -4.95 135.00 129.57 1oql s PRO 140 Ca 0.44 1.84 -0.25 0.00 0.02 0.00 0.00 61.00 63.05 1oql s PRO 140 Cb -0.28 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.38 1oql s PRO 140 CO 0.35 -1.56 0.87 1.03 -0.33 0.00 0.00 177.00 177.36 1oql s ARG 141 N -3.61 3.88 -0.24 5.54 1.81 -0.66 -4.79 118.95 120.89 1oql s ARG 141 Ca 0.77 0.57 -0.24 0.00 -1.72 0.00 0.00 55.73 55.12 1oql s ARG 141 Cb -0.31 -3.77 -0.01 0.00 -0.45 0.00 0.00 34.95 30.41 1oql s ARG 141 CO 0.40 -0.84 0.79 -1.21 -0.68 0.00 0.00 175.30 173.76 1oql s GLU 142 N 3.25 4.18 0.20 3.54 0.41 -1.26 0.57 118.70 129.60 1oql s GLU 142 Ca 0.36 0.87 0.00 0.00 -0.41 0.00 0.00 54.97 55.78 1oql s GLU 142 Cb -0.13 -3.64 -0.04 0.00 -1.78 0.00 0.00 34.13 28.54 1oql s GLU 142 CO 0.16 -0.47 0.08 0.14 -0.49 0.00 0.00 175.26 174.68 1oql s VAL 143 N 2.67 0.32 -0.13 2.63 -7.23 0.12 -4.55 120.40 114.22 1oql s VAL 143 Ca 0.33 -1.98 -0.00 0.00 -1.81 0.00 0.00 61.98 58.52 1oql s VAL 143 Cb -0.15 -2.39 -0.02 0.00 0.56 0.00 0.00 36.38 34.38 1oql s VAL 143 CO 0.08 -0.17 -0.12 -0.89 -0.31 0.00 0.00 175.10 173.69 1oql s THR 144 N -3.92 3.16 -0.46 5.32 2.01 -0.08 -0.07 115.64 121.60 1oql s THR 144 Ca 0.33 -0.63 -0.14 0.00 0.31 0.00 0.00 61.69 61.56 1oql s THR 144 Cb 0.07 -2.33 0.07 0.00 0.01 0.00 0.00 72.50 70.32 1oql s THR 144 CO 0.09 0.52 0.36 -0.63 -0.69 0.00 0.00 174.62 174.28 1oql s ILE 145 N 0.32 5.03 0.04 1.82 1.01 -1.26 -1.06 121.20 127.09 1oql s ILE 145 Ca -0.10 -1.12 -0.30 0.00 0.00 0.00 0.00 60.65 59.14 1oql s ILE 145 Cb -0.16 -4.01 -0.04 0.00 0.01 0.00 0.00 42.46 38.27 1oql s ILE 145 CO 0.05 -0.55 1.01 -0.31 0.00 0.00 0.00 174.94 175.14 1oql s TYR 146 N 1.60 3.66 0.00 3.97 1.51 0.05 -1.60 117.35 126.54 1oql s TYR 146 Ca 0.04 1.66 0.00 0.00 -1.01 0.00 0.00 57.07 57.76 1oql s TYR 146 Cb -0.24 -3.15 0.00 0.00 -0.11 0.00 0.00 41.96 38.46 1oql s TYR 146 CO 0.06 -0.15 0.00 0.41 -1.11 0.00 0.00 175.55 174.75 1oql n GLY 147 N 2.78 7.64 3.65 0.71 0.00 0.27 -1.20 105.19 119.03 1oql n GLY 147 Ca 0.06 -2.00 -0.52 0.00 0.00 0.00 0.00 46.02 43.55 1oql n GLY 147 CO 0.00 0.00 0.00 0.33 0.00 0.00 0.00 173.32 173.65 1oql n PHE 148 N 0.00 1.90 -3.36 1.61 7.35 -1.24 -1.75 117.46 121.97 1oql n PHE 148 Ca 0.00 0.46 -0.19 0.00 -0.76 0.00 0.00 57.45 56.96 1oql n PHE 148 Cb 0.00 -2.45 0.06 0.00 0.35 0.00 0.00 39.48 37.45 1oql n PHE 148 CO 0.00 0.00 0.00 0.54 -0.76 0.00 0.00 176.76 176.54 1oql n ARG 149 N 3.88 -6.29 -2.47 -4.13 1.74 -1.26 -2.83 116.66 105.30 1oql n ARG 149 Ca 0.21 0.66 -0.08 0.00 -0.77 0.00 0.00 57.85 57.86 1oql n ARG 149 Cb 0.21 -5.19 -0.00 0.00 -1.02 0.00 0.00 32.46 26.46 1oql n ARG 149 CO 0.00 0.00 0.00 -0.25 -1.52 0.00 0.00 177.63 175.86 1oql n ASP 150 N -2.12 -2.90 -4.93 0.55 8.00 -0.72 -4.96 116.55 109.47 1oql n ASP 150 Ca -0.01 0.30 -0.26 0.00 0.71 0.00 0.00 54.79 55.53 1oql n ASP 150 Cb 0.55 -2.52 0.06 0.00 -0.02 0.00 0.00 41.12 39.19 1oql n ASP 150 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1oql s LEU 151 N -5.41 2.94 0.02 0.64 1.43 -1.13 -4.56 118.68 112.60 1oql s LEU 151 Ca 0.00 0.50 0.06 0.00 -1.03 0.00 0.00 54.13 53.66 1oql s LEU 151 Cb -0.00 -3.20 -0.03 0.00 0.03 0.00 0.00 46.19 42.99 1oql s LEU 151 CO 0.00 -1.45 -0.18 0.00 0.23 0.00 0.00 176.35 174.96 1oql s MET 153 N -1.22 4.02 -0.01 0.00 1.75 -0.63 -0.85 119.30 122.37 1oql s MET 153 Ca 0.14 1.53 0.08 0.00 -1.25 0.00 0.00 55.69 56.18 1oql s MET 153 Cb -0.10 -3.87 -0.02 0.00 2.84 0.00 0.00 34.83 33.67 1oql s MET 153 CO 0.04 -0.99 -0.26 -2.00 -0.65 0.00 0.00 175.02 171.16 1oql s GLU 154 N 4.01 2.05 -0.32 4.11 2.12 0.14 -4.50 118.70 126.31 1oql s GLU 154 Ca 0.59 -0.97 -0.10 0.00 0.36 0.00 0.00 54.97 54.85 1oql s GLU 154 Cb -0.21 -2.04 -0.01 0.00 0.26 0.00 0.00 34.13 32.13 1oql s GLU 154 CO 0.22 0.55 0.17 -1.54 -0.54 0.00 0.00 175.26 174.12 1oql s SER 155 N -0.77 5.67 -0.94 -1.70 1.04 0.43 -1.82 113.70 115.63 1oql s SER 155 Ca 0.10 -0.48 -0.00 0.00 0.48 0.00 0.00 55.95 56.05 1oql s SER 155 Cb -0.10 -2.04 0.30 0.00 0.10 0.00 0.00 66.02 64.29 1oql s SER 155 CO -0.00 -0.20 1.38 0.59 0.98 0.00 0.00 173.24 175.99 1oql n ASN 156 N 5.01 5.97 -1.31 7.02 4.13 -0.25 -4.87 115.26 130.96 1oql n ASN 156 Ca -0.14 -3.52 0.00 0.00 1.68 0.00 0.00 54.58 52.61 1oql n ASN 156 Cb 0.49 -1.06 0.00 0.00 -1.54 0.00 0.00 39.78 37.67 1oql n ASN 156 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1oql n GLY 157 N 0.74 0.00 1.55 7.41 0.00 -1.26 -2.53 105.19 111.09 1oql n GLY 157 Ca 0.32 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.34 1oql n GLY 157 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1oql n GLY 158 N 1.71 2.31 3.53 -0.02 0.00 -1.26 -4.97 105.19 106.49 1oql n GLY 158 Ca 0.00 -0.54 -0.29 0.00 0.00 0.00 0.00 46.02 45.19 1oql n GLY 158 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1oql s SER 159 N 0.00 4.11 -0.03 1.61 0.15 -1.05 -0.56 113.70 117.93 1oql s SER 159 Ca 0.00 -0.53 0.01 0.00 0.70 0.00 0.00 55.95 56.13 1oql s SER 159 Cb 0.00 -0.66 0.02 0.00 -1.71 0.00 0.00 66.02 63.67 1oql s SER 159 CO 0.00 0.16 -0.04 0.54 1.20 0.00 0.00 173.24 175.10 1oql s VAL 160 N -1.33 0.42 0.35 4.45 0.11 -1.26 -1.09 120.40 122.05 1oql s VAL 160 Ca 0.21 -0.10 -0.03 0.00 -2.93 0.00 0.00 61.98 59.12 1oql s VAL 160 Cb -0.10 -0.44 0.01 0.00 -1.53 0.00 0.00 36.38 34.32 1oql s VAL 160 CO 0.12 0.18 0.51 -1.66 -3.33 0.00 0.00 175.10 170.92 1oql s TRP 161 N 0.65 0.99 -0.29 1.54 -2.14 -0.75 -4.20 118.94 114.74 1oql s TRP 161 Ca -0.08 -1.26 -0.10 0.00 2.66 0.00 0.00 56.10 57.32 1oql s TRP 161 Cb -0.11 -0.00 -0.03 0.00 -3.10 0.00 0.00 33.47 30.23 1oql s TRP 161 CO -0.00 -1.18 0.15 0.54 -2.66 0.00 0.00 176.95 173.80 1oql s VAL 162 N -2.96 4.84 0.14 -0.66 0.11 -1.26 0.23 120.40 120.85 1oql s VAL 162 Ca 0.29 -0.12 0.00 0.00 -2.93 0.00 0.00 61.98 59.23 1oql s VAL 162 Cb -0.01 -3.36 0.00 0.00 -1.53 0.00 0.00 36.38 31.49 1oql s VAL 162 CO 0.20 0.20 0.04 1.21 -3.33 0.00 0.00 175.10 173.42 1oql n GLU 163 N 5.01 1.52 -2.73 1.54 2.13 -0.03 -4.85 120.64 123.22 1oql n GLU 163 Ca -0.14 -1.00 -0.42 0.00 0.66 0.00 0.00 57.16 56.26 1oql n GLU 163 Cb 0.51 0.21 -0.03 0.00 0.27 0.00 0.00 31.44 32.40 1oql n GLU 163 CO 0.00 0.00 0.00 0.99 -0.41 0.00 0.00 177.13 177.71 1oql s THR 164 N -1.23 4.83 -0.00 6.31 2.01 -1.26 -0.40 115.64 125.90 1oql s THR 164 Ca 0.03 1.99 -0.32 0.00 0.31 0.00 0.00 61.69 63.70 1oql s THR 164 Cb -0.00 -4.29 -0.10 0.00 0.01 0.00 0.00 72.50 68.12 1oql s THR 164 CO 0.02 0.07 1.93 0.00 -0.69 0.00 0.00 174.62 175.95 1oql s VAL 166 N 4.22 2.80 0.34 0.00 1.01 -1.26 -5.04 120.40 122.47 1oql s VAL 166 Ca 0.90 -0.98 -0.27 0.00 0.00 0.00 0.00 61.98 61.62 1oql s VAL 166 Cb -0.53 -2.39 -0.12 0.00 0.00 0.00 0.00 36.38 33.34 1oql s VAL 166 CO 0.45 0.25 1.19 -0.24 0.00 0.00 0.00 175.10 176.76 1oql n SER 167 N 4.67 2.25 0.00 3.32 2.88 -1.26 -2.33 113.62 123.15 1oql n SER 167 Ca -0.17 1.18 0.00 0.00 -1.33 0.00 0.00 58.87 58.55 1oql n SER 167 Cb 0.48 -1.43 0.00 0.00 -0.75 0.00 0.00 64.21 62.51 1oql n SER 167 CO 0.00 0.00 0.00 -1.20 -1.23 0.00 0.00 175.04 172.61 1oql n SER 168 N 0.80 -5.78 -4.67 -3.46 7.64 -1.26 -4.93 113.62 101.96 1oql n SER 168 Ca 0.06 0.00 -0.43 0.00 1.01 0.00 0.00 58.87 59.52 1oql n SER 168 Cb 0.36 -3.39 -0.02 0.00 -1.01 0.00 0.00 64.21 60.15 1oql n SER 168 CO 0.00 0.00 0.00 -1.58 -3.01 0.00 0.00 175.04 170.45 1oql s GLN 169 N -1.92 4.32 0.48 1.43 0.74 -0.98 -4.93 119.66 118.80 1oql s GLN 169 Ca 0.00 1.46 0.23 0.00 0.05 0.00 0.00 55.36 57.11 1oql s GLN 169 Cb 0.00 -3.62 1.22 0.00 1.10 0.00 0.00 33.01 31.71 1oql s GLN 169 CO 0.00 -0.52 2.00 0.87 -0.55 0.00 0.00 175.29 177.08 1oql h LYS 170 N 7.47 0.00 -0.73 1.67 1.79 -1.91 -2.78 116.57 122.08 1oql h LYS 170 Ca -0.26 0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.21 1oql h LYS 170 Cb 1.11 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.76 1oql h LYS 170 CO 0.93 0.18 0.00 0.27 -1.08 0.00 0.00 179.45 179.75 1oql n ASN 171 N -3.77 1.36 -0.22 0.86 6.94 -1.26 -2.17 115.26 117.01 1oql n ASN 171 Ca -0.02 -2.09 0.04 0.00 -0.02 0.00 0.00 54.58 52.49 1oql n ASN 171 Cb 0.29 -0.41 0.06 0.00 -2.36 0.00 0.00 39.78 37.35 1oql n ASN 171 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1oql n GLN 172 N 0.01 0.85 -4.54 -3.83 6.02 -1.05 -0.43 117.38 114.41 1oql n GLN 172 Ca 0.04 -1.62 -0.34 0.00 -0.01 0.00 0.00 57.00 55.07 1oql n GLN 172 Cb 0.30 -0.95 -0.12 0.00 1.02 0.00 0.00 30.24 30.49 1oql n GLN 172 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1oql s ARG 173 N -1.25 3.32 -0.02 -1.09 6.06 -0.92 -4.34 118.95 120.71 1oql s ARG 173 Ca 0.13 -0.56 0.04 0.00 -2.50 0.00 0.00 55.73 52.84 1oql s ARG 173 Cb 0.11 -2.76 -0.01 0.00 0.06 0.00 0.00 34.95 32.36 1oql s ARG 173 CO 0.01 0.38 -0.13 -1.58 -2.50 0.00 0.00 175.30 171.48 1oql s TRP 174 N -0.04 1.23 -0.32 5.12 0.52 0.90 -1.89 118.94 124.46 1oql s TRP 174 Ca 0.00 -0.26 -0.12 0.00 0.02 0.00 0.00 56.10 55.74 1oql s TRP 174 Cb -0.13 -0.81 -0.03 0.00 -1.15 0.00 0.00 33.47 31.35 1oql s TRP 174 CO 0.03 -0.05 0.23 0.00 0.02 0.00 0.00 176.95 177.18 1oql s ALA 175 N -0.19 3.51 -0.57 0.98 0.00 0.89 0.12 121.76 126.50 1oql s ALA 175 Ca 0.03 -1.29 -0.23 0.00 0.00 0.00 0.00 51.96 50.47 1oql s ALA 175 Cb -0.07 -2.63 0.05 0.00 0.00 0.00 0.00 23.12 20.48 1oql s ALA 175 CO -0.00 -0.86 0.90 -0.51 0.00 0.00 0.00 175.76 175.29 1oql s LEU 176 N 1.75 4.28 0.60 0.00 1.43 0.19 -1.47 118.68 125.47 1oql s LEU 176 Ca 0.07 -0.56 -0.14 0.00 -1.03 0.00 0.00 54.13 52.47 1oql s LEU 176 Cb -0.17 -2.69 -0.04 0.00 0.03 0.00 0.00 46.19 43.32 1oql s LEU 176 CO 0.11 -1.22 1.04 -0.31 0.23 0.00 0.00 176.35 176.19 1oql s TYR 177 N 3.78 3.22 0.28 0.29 1.51 -0.65 -1.65 117.35 124.13 1oql s TYR 177 Ca 0.27 1.45 -0.01 0.00 -1.01 0.00 0.00 57.07 57.76 1oql s TYR 177 Cb -0.14 -2.88 0.40 0.00 -0.11 0.00 0.00 41.96 39.22 1oql s TYR 177 CO 0.16 -0.91 1.84 0.78 -1.11 0.00 0.00 175.55 176.32 1oql h GLY 178 N 0.15 0.93 0.54 0.71 0.00 -1.87 -1.50 103.07 102.03 1oql h GLY 178 Ca -0.46 -0.51 0.00 0.00 0.00 0.00 0.00 47.33 46.36 1oql h GLY 178 CO 0.59 0.48 0.00 2.09 0.00 0.00 0.00 176.54 179.70 1oql n ASP 179 N -4.29 0.00 0.00 0.19 5.68 -1.25 -4.23 116.55 112.64 1oql n ASP 179 Ca 0.04 -0.52 0.00 0.00 -0.50 0.00 0.00 54.79 53.82 1oql n ASP 179 Cb 0.20 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.18 1oql n ASP 179 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1oql n GLY 180 N -0.22 0.72 3.90 6.12 0.00 -0.56 -4.52 105.19 110.62 1oql n GLY 180 Ca 0.05 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.78 1oql n GLY 180 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oql s SER 181 N -2.38 6.43 -0.26 1.61 1.04 -1.25 -0.60 113.70 118.28 1oql s SER 181 Ca 0.00 0.90 0.01 0.00 0.48 0.00 0.00 55.95 57.34 1oql s SER 181 Cb 0.00 -2.22 0.05 0.00 0.10 0.00 0.00 66.02 63.95 1oql s SER 181 CO 0.00 -0.35 -0.08 -0.63 0.98 0.00 0.00 173.24 173.16 1oql s ILE 182 N -2.33 2.45 0.08 -1.02 1.01 -1.26 -1.64 121.20 118.49 1oql s ILE 182 Ca 0.47 -1.45 0.08 0.00 0.00 0.00 0.00 60.65 59.75 1oql s ILE 182 Cb -0.10 -2.38 -0.04 0.00 0.01 0.00 0.00 42.46 39.95 1oql s ILE 182 CO 0.33 0.02 -0.18 -0.13 0.00 0.00 0.00 174.94 174.99 1oql s ARG 183 N 1.18 1.91 0.10 2.79 0.52 -0.54 -1.47 118.95 123.43 1oql s ARG 183 Ca -0.06 -1.09 -0.31 0.00 -0.52 0.00 0.00 55.73 53.75 1oql s ARG 183 Cb -0.19 -2.15 -0.09 0.00 0.52 0.00 0.00 34.95 33.05 1oql s ARG 183 CO -0.05 0.51 1.61 -2.14 0.02 0.00 0.00 175.30 175.25 1oql s PRO 184 N -1.83 4.21 0.33 3.54 0.02 -1.25 -0.08 135.00 139.93 1oql s PRO 184 Ca 0.16 2.32 0.11 0.00 0.02 0.00 0.00 61.00 63.61 1oql s PRO 184 Cb -0.11 -3.45 0.96 0.00 0.02 0.00 0.00 34.50 31.92 1oql s PRO 184 CO 0.08 -0.68 1.71 -0.22 -0.33 0.00 0.00 177.00 177.56 1oql h LYS 185 N 7.79 0.48 -0.06 5.54 3.64 -1.66 -1.32 116.57 130.97 1oql h LYS 185 Ca -0.42 -0.03 -0.14 0.00 -1.27 0.00 0.00 60.65 58.79 1oql h LYS 185 Cb 1.20 -0.11 -0.01 0.00 -0.41 0.00 0.00 32.23 32.90 1oql h LYS 185 CO 0.92 0.31 -0.59 1.96 -2.27 0.00 0.00 179.45 179.79 1oql h GLN 186 N 0.49 0.20 -2.99 1.90 4.20 -1.83 -3.38 115.11 113.70 1oql h GLN 186 Ca 0.68 -0.13 -0.60 0.00 0.06 0.00 0.00 58.65 58.65 1oql h GLN 186 Cb 1.38 0.02 -0.40 0.00 0.30 0.00 0.00 27.48 28.78 1oql h GLN 186 CO -0.52 0.73 -0.76 -0.80 -0.67 0.00 0.00 178.83 176.80 1oql s ASN 187 N -6.89 3.57 0.00 1.46 -0.87 -0.50 -4.97 114.94 106.73 1oql s ASN 187 Ca -0.04 -2.36 0.00 0.00 -1.57 0.00 0.00 52.86 48.89 1oql s ASN 187 Cb 0.12 -0.87 0.00 0.00 -0.02 0.00 0.00 41.25 40.48 1oql s ASN 187 CO 0.79 -0.30 0.57 0.00 -2.57 0.00 0.00 177.10 175.58 1oql n GLN 188 N 3.88 0.98 -0.10 -0.60 6.02 -1.18 -2.65 117.38 123.73 1oql n GLN 188 Ca 0.07 0.00 0.05 0.00 -0.01 0.00 0.00 57.00 57.12 1oql n GLN 188 Cb 0.36 -1.42 0.10 0.00 1.02 0.00 0.00 30.24 30.31 1oql n GLN 188 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.06 175.65 1oql n ASP 189 N -0.07 2.46 -4.54 1.08 3.85 -1.26 -4.97 116.55 113.09 1oql n ASP 189 Ca 0.00 -2.54 -0.25 0.00 -0.71 0.00 0.00 54.79 51.29 1oql n ASP 189 Cb 0.21 -0.25 -0.09 0.00 -1.35 0.00 0.00 41.12 39.63 1oql n ASP 189 CO 0.00 0.00 0.00 -1.10 -1.01 0.00 0.00 177.20 175.09 1oql s GLN 190 N -1.94 1.95 -0.06 0.11 -1.52 -1.08 -1.70 119.66 115.42 1oql s GLN 190 Ca 0.20 -1.43 -0.07 0.00 -1.95 0.00 0.00 55.36 52.10 1oql s GLN 190 Cb 0.16 -2.04 0.02 0.00 -0.22 0.00 0.00 33.01 30.93 1oql s GLN 190 CO 0.04 0.39 0.19 0.00 -0.25 0.00 0.00 175.29 175.66 1oql s LEU 192 N -0.11 4.39 -0.01 0.00 1.43 -0.54 -2.08 118.68 121.75 1oql s LEU 192 Ca -0.02 2.51 -0.07 0.00 -1.03 0.00 0.00 54.13 55.52 1oql s LEU 192 Cb -0.02 -3.61 0.01 0.00 0.03 0.00 0.00 46.19 42.60 1oql s LEU 192 CO 0.01 -0.65 0.16 -0.89 0.23 0.00 0.00 176.35 175.20 1oql s THR 193 N 0.38 0.06 -0.44 5.49 2.01 0.17 -4.45 115.64 118.86 1oql s THR 193 Ca 0.61 -0.51 -0.00 0.00 0.31 0.00 0.00 61.69 62.09 1oql s THR 193 Cb -0.39 -0.40 0.12 0.00 0.01 0.00 0.00 72.50 71.83 1oql s THR 193 CO 0.38 -0.28 0.20 0.00 -0.69 0.00 0.00 174.62 174.23 1oql n GLY 195 N 4.14 -0.06 3.47 0.00 0.00 -1.26 -4.45 105.19 107.01 1oql n GLY 195 Ca 0.02 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.93 1oql n GLY 195 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1oql s ARG 196 N -2.00 1.38 -0.03 1.61 0.52 -1.26 -5.07 118.95 114.10 1oql s ARG 196 Ca 0.03 -1.24 0.12 0.00 -0.52 0.00 0.00 55.73 54.11 1oql s ARG 196 Cb 0.01 0.42 0.35 0.00 0.52 0.00 0.00 34.95 36.26 1oql s ARG 196 CO 0.02 -0.55 1.29 -0.25 0.02 0.00 0.00 175.30 175.84 1oql n ASP 197 N -0.32 3.12 -4.85 0.23 8.00 -1.26 -4.96 116.55 116.51 1oql n ASP 197 Ca -0.03 -2.16 -0.35 0.00 0.71 0.00 0.00 54.79 52.95 1oql n ASP 197 Cb 0.63 -0.29 -0.06 0.00 -0.02 0.00 0.00 41.12 41.38 1oql n ASP 197 CO 0.00 0.00 0.00 -0.94 -0.39 0.00 0.00 177.20 175.87 1oql s SER 198 N -1.14 6.74 0.26 -2.24 1.04 -1.26 -5.01 113.70 112.08 1oql s SER 198 Ca 0.27 0.95 -0.28 0.00 0.48 0.00 0.00 55.95 57.37 1oql s SER 198 Cb 0.16 -2.24 -0.15 0.00 0.10 0.00 0.00 66.02 63.89 1oql s SER 198 CO 0.15 0.13 0.78 0.52 0.98 0.00 0.00 173.24 175.80 1oql n VAL 199 N 0.84 1.99 -1.94 5.02 0.31 -1.26 -2.65 118.33 120.62 1oql n VAL 199 Ca -0.06 -0.50 -0.11 0.00 -0.01 0.00 0.00 64.34 63.65 1oql n VAL 199 Cb 0.52 -0.55 -0.02 0.00 -0.91 0.00 0.00 33.84 32.88 1oql n VAL 199 CO 0.00 0.00 0.00 -1.20 -1.32 0.00 0.00 176.83 174.31 1oql n SER 200 N 1.56 -3.85 -4.74 4.52 7.64 0.68 -4.99 113.62 114.43 1oql n SER 200 Ca 0.13 0.08 -0.40 0.00 1.01 0.00 0.00 58.87 59.68 1oql n SER 200 Cb 0.29 -2.86 -0.05 0.00 -1.01 0.00 0.00 64.21 60.58 1oql n SER 200 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1oql s THR 201 N -2.51 4.20 -0.03 0.44 2.01 -1.09 -4.79 115.64 113.87 1oql s THR 201 Ca 0.00 2.06 -0.30 0.00 0.31 0.00 0.00 61.69 63.76 1oql s THR 201 Cb 0.00 -4.31 -0.03 0.00 0.01 0.00 0.00 72.50 68.17 1oql s THR 201 CO 0.00 0.43 1.06 -0.69 -0.69 0.00 0.00 174.62 174.73 1oql s VAL 202 N -0.75 4.60 0.18 3.82 1.01 -1.26 -1.86 120.40 126.14 1oql s VAL 202 Ca 0.43 1.87 -0.30 0.00 0.00 0.00 0.00 61.98 63.99 1oql s VAL 202 Cb -0.25 -4.20 -0.07 0.00 0.00 0.00 0.00 36.38 31.85 1oql s VAL 202 CO 0.31 0.08 1.03 -0.63 0.00 0.00 0.00 175.10 175.89 1oql s ILE 203 N 1.51 4.07 0.36 2.22 1.01 -0.11 -4.67 121.20 125.58 1oql s ILE 203 Ca 0.53 1.84 0.05 0.00 0.00 0.00 0.00 60.65 63.07 1oql s ILE 203 Cb -0.22 -4.17 -0.02 0.00 0.01 0.00 0.00 42.46 38.06 1oql s ILE 203 CO 0.24 0.34 0.19 -0.46 0.00 0.00 0.00 174.94 175.25 1oql n ASN 204 N 2.24 0.46 -4.16 3.58 6.94 -0.36 -4.43 115.26 119.52 1oql n ASN 204 Ca 0.01 -3.10 -0.34 0.00 -0.02 0.00 0.00 54.58 51.14 1oql n ASN 204 Cb 0.47 1.24 -0.14 0.00 -2.36 0.00 0.00 39.78 38.99 1oql n ASN 204 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 1oql s ILE 205 N -3.14 2.79 0.43 1.53 1.01 0.28 -0.65 121.20 123.45 1oql s ILE 205 Ca 0.27 -1.29 0.03 0.00 0.00 0.00 0.00 60.65 59.66 1oql s ILE 205 Cb 0.01 -2.54 -0.03 0.00 0.01 0.00 0.00 42.46 39.92 1oql s ILE 205 CO 0.19 0.03 0.07 0.68 0.00 0.00 0.00 174.94 175.91 1oql s VAL 206 N 1.25 0.95 0.53 2.92 -7.23 -0.88 -4.33 120.40 113.61 1oql s VAL 206 Ca -0.04 -2.00 -0.21 0.00 -1.81 0.00 0.00 61.98 57.92 1oql s VAL 206 Cb -0.19 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.32 1oql s VAL 206 CO -0.03 0.00 1.24 -0.55 -0.31 0.00 0.00 175.10 175.45 1oql s SER 207 N -3.69 5.54 0.10 4.85 0.15 -1.26 0.66 113.70 120.04 1oql s SER 207 Ca 0.20 2.49 0.27 0.00 0.70 0.00 0.00 55.95 59.61 1oql s SER 207 Cb 0.03 -2.61 0.92 0.00 -1.71 0.00 0.00 66.02 62.65 1oql s SER 207 CO 0.11 -1.37 1.76 0.00 1.20 0.00 0.00 173.24 174.95 1oql n SER 209 N -1.87 -0.21 -0.18 0.00 7.64 -1.26 -0.25 113.62 117.49 1oql n SER 209 Ca 0.06 0.79 0.26 0.00 1.01 0.00 0.00 58.87 60.99 1oql n SER 209 Cb 0.39 -0.26 0.67 0.00 -1.01 0.00 0.00 64.21 63.99 1oql n SER 209 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1oql h ALA 210 N -0.34 2.66 -6.36 -0.43 0.00 -2.00 -3.45 119.26 109.33 1oql h ALA 210 Ca 0.03 -0.02 -0.48 0.00 0.00 0.00 0.00 54.91 54.45 1oql h ALA 210 Cb 0.08 0.04 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1oql h ALA 210 CO -0.19 -0.92 -0.82 0.41 0.00 0.00 0.00 179.25 177.74 1oql n GLY 211 N -1.66 -0.37 3.71 0.00 0.00 0.65 -4.90 105.19 102.63 1oql n GLY 211 Ca 0.18 0.16 -0.30 0.00 0.00 0.00 0.00 46.02 46.06 1oql n GLY 211 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1oql s SER 212 N -3.84 3.38 0.48 1.61 1.04 -1.26 -1.29 113.70 113.82 1oql s SER 212 Ca 0.34 1.45 0.22 0.00 0.48 0.00 0.00 55.95 58.45 1oql s SER 212 Cb -0.18 -2.13 1.21 0.00 0.10 0.00 0.00 66.02 65.02 1oql s SER 212 CO 0.85 -2.69 2.00 0.77 0.98 0.00 0.00 173.24 175.16 1oql h SER 213 N -1.58 0.00 0.31 7.02 4.64 -1.85 -1.59 113.55 120.49 1oql h SER 213 Ca -0.50 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 60.82 1oql h SER 213 Cb 1.29 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.38 1oql h SER 213 CO 0.55 0.18 0.00 0.61 -0.87 0.00 0.00 176.83 177.30 1oql n GLY 214 N -0.67 -0.85 0.36 -0.77 0.00 -1.26 -2.07 105.19 99.94 1oql n GLY 214 Ca -0.02 -0.08 0.10 0.00 0.00 0.00 0.00 46.02 46.01 1oql n GLY 214 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1oql n GLN 215 N -1.27 1.28 -3.66 1.61 6.02 -0.60 -2.01 117.38 118.76 1oql n GLN 215 Ca 0.09 -0.75 -0.38 0.00 -0.01 0.00 0.00 57.00 55.94 1oql n GLN 215 Cb 0.13 -1.40 -0.12 0.00 1.02 0.00 0.00 30.24 29.88 1oql n GLN 215 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 1oql s ARG 216 N -2.35 3.38 0.29 -1.09 3.52 -0.88 -4.07 118.95 117.75 1oql s ARG 216 Ca 0.15 -0.69 0.09 0.00 -0.13 0.00 0.00 55.73 55.15 1oql s ARG 216 Cb 0.16 -3.55 -0.04 0.00 -1.56 0.00 0.00 34.95 29.95 1oql s ARG 216 CO 0.56 -0.39 0.02 -1.58 -0.81 0.00 0.00 175.30 173.10 1oql s TRP 217 N 1.62 2.68 -0.09 5.12 0.52 0.23 -1.09 118.94 127.92 1oql s TRP 217 Ca 0.05 -0.27 0.01 0.00 0.02 0.00 0.00 56.10 55.90 1oql s TRP 217 Cb -0.17 -1.30 0.02 0.00 -1.15 0.00 0.00 33.47 30.87 1oql s TRP 217 CO 0.06 0.56 -0.10 0.08 0.02 0.00 0.00 176.95 177.58 1oql s VAL 218 N -2.37 1.06 -0.04 4.03 1.01 0.17 -4.77 120.40 119.51 1oql s VAL 218 Ca 0.33 -0.37 -0.20 0.00 0.00 0.00 0.00 61.98 61.74 1oql s VAL 218 Cb -0.05 -1.03 -0.05 0.00 0.00 0.00 0.00 36.38 35.25 1oql s VAL 218 CO 0.20 0.36 0.56 -0.36 0.00 0.00 0.00 175.10 175.86 1oql s PHE 219 N 1.25 3.64 0.10 5.22 0.40 -1.26 -0.96 117.98 126.35 1oql s PHE 219 Ca -0.04 1.11 0.04 0.00 -0.60 0.00 0.00 56.93 57.45 1oql s PHE 219 Cb -0.14 -2.59 -0.04 0.00 0.51 0.00 0.00 43.02 40.76 1oql s PHE 219 CO -0.03 0.31 0.04 0.95 0.70 0.00 0.00 175.22 177.19 1oql s THR 220 N 0.01 4.24 -0.06 0.64 -4.23 -0.52 -5.00 115.64 110.73 1oql s THR 220 Ca 0.30 -0.93 0.28 0.00 -1.18 0.00 0.00 61.69 60.16 1oql s THR 220 Cb -0.17 -3.05 0.29 0.00 1.34 0.00 0.00 72.50 70.91 1oql s THR 220 CO 0.15 0.10 1.86 -1.13 -0.54 0.00 0.00 174.62 175.06 1oql h ASN 221 N 3.27 0.00 -0.53 3.99 -0.73 -1.98 -0.55 115.58 119.05 1oql h ASN 221 Ca -0.47 0.00 0.00 0.00 1.87 0.00 0.00 56.30 57.70 1oql h ASN 221 Cb 1.17 0.00 0.00 0.00 0.27 0.00 0.00 38.32 39.76 1oql h ASN 221 CO 0.62 0.00 0.00 -0.62 -0.37 0.00 0.00 177.43 177.06 1oql n GLU 222 N -2.52 2.86 -0.60 6.67 -0.58 -1.26 -4.95 120.64 120.25 1oql n GLU 222 Ca -0.01 -2.16 0.00 0.00 -0.42 0.00 0.00 57.16 54.57 1oql n GLU 222 Cb 0.13 -1.65 0.00 0.00 -0.57 0.00 0.00 31.44 29.35 1oql n GLU 222 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1oql n GLY 223 N 1.11 0.89 3.93 0.62 0.00 -0.21 -4.97 105.19 106.55 1oql n GLY 223 Ca 0.20 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.97 1oql n GLY 223 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1oql s ALA 224 N -3.25 3.54 -0.23 4.61 0.00 -1.26 -0.89 121.76 124.29 1oql s ALA 224 Ca 0.00 -0.82 0.01 0.00 0.00 0.00 0.00 51.96 51.16 1oql s ALA 224 Cb 0.00 -2.37 0.05 0.00 0.00 0.00 0.00 23.12 20.81 1oql s ALA 224 CO 0.00 -0.45 -0.09 0.42 0.00 0.00 0.00 175.76 175.65 1oql s ILE 225 N -2.69 1.74 0.13 0.00 1.01 -1.26 -1.44 121.20 118.69 1oql s ILE 225 Ca 0.49 -1.26 0.07 0.00 0.00 0.00 0.00 60.65 59.95 1oql s ILE 225 Cb -0.10 -1.90 -0.04 0.00 0.01 0.00 0.00 42.46 40.43 1oql s ILE 225 CO 0.41 0.01 -0.05 -0.76 0.00 0.00 0.00 174.94 174.56 1oql s LEU 226 N 1.32 3.22 -0.04 2.97 1.43 -0.14 -1.01 118.68 126.43 1oql s LEU 226 Ca -0.05 -0.35 -0.29 0.00 -1.03 0.00 0.00 54.13 52.41 1oql s LEU 226 Cb -0.18 -1.95 -0.03 0.00 0.03 0.00 0.00 46.19 44.06 1oql s LEU 226 CO -0.07 0.15 0.93 0.21 0.23 0.00 0.00 176.35 177.80 1oql s ASN 227 N -2.49 7.27 0.15 2.29 3.84 -0.67 0.45 114.94 125.78 1oql s ASN 227 Ca 0.24 1.54 -0.23 0.00 0.21 0.00 0.00 52.86 54.63 1oql s ASN 227 Cb -0.11 -2.54 0.03 0.00 -0.55 0.00 0.00 41.25 38.08 1oql s ASN 227 CO 0.16 -0.28 1.63 0.25 -2.79 0.00 0.00 177.10 176.07 1oql h LEU 228 N 7.08 -0.82 0.33 3.21 5.85 -1.38 -0.80 115.31 128.79 1oql h LEU 228 Ca -0.39 0.14 -0.02 0.00 0.84 0.00 0.00 57.88 58.46 1oql h LEU 228 Cb 1.20 0.38 0.00 0.00 0.37 0.00 0.00 40.66 42.61 1oql h LEU 228 CO 0.77 -0.29 -0.16 0.50 -0.34 0.00 0.00 178.44 178.92 1oql h LYS 229 N -0.26 -0.43 0.00 1.25 3.64 -1.83 -3.34 116.57 115.60 1oql h LYS 229 Ca 0.14 0.03 0.00 0.00 -1.27 0.00 0.00 60.65 59.54 1oql h LYS 229 Cb 0.47 0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.39 1oql h LYS 229 CO -0.39 -0.29 0.00 -2.95 -2.27 0.00 0.00 179.45 173.55 1oql h ASN 230 N -0.85 0.00 0.00 4.20 7.08 -1.93 -3.47 115.58 120.61 1oql h ASN 230 Ca -0.05 0.00 0.00 0.00 -3.08 0.00 0.00 56.30 53.17 1oql h ASN 230 Cb 0.34 0.00 0.00 0.00 -2.08 0.00 0.00 38.32 36.58 1oql h ASN 230 CO 0.08 0.00 0.00 0.61 -2.08 0.00 0.00 177.43 176.04 1oql n GLY 231 N 0.21 0.54 3.87 9.14 0.00 -0.30 -4.99 105.19 113.65 1oql n GLY 231 Ca 0.02 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.74 1oql n GLY 231 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1oql s LEU 232 N 0.00 3.72 0.01 0.99 1.02 -1.26 -4.68 118.68 118.48 1oql s LEU 232 Ca 0.00 1.24 -0.07 0.00 0.02 0.00 0.00 54.13 55.32 1oql s LEU 232 Cb 0.00 -4.15 -0.05 0.00 0.02 0.00 0.00 46.19 42.01 1oql s LEU 232 CO 0.00 -0.50 0.28 0.00 0.02 0.00 0.00 176.35 176.15 1oql s ALA 233 N -2.53 3.84 0.18 4.21 0.00 0.07 -1.67 121.76 125.86 1oql s ALA 233 Ca 0.53 -0.57 -0.31 0.00 0.00 0.00 0.00 51.96 51.61 1oql s ALA 233 Cb -0.10 -2.07 -0.09 0.00 0.00 0.00 0.00 23.12 20.85 1oql s ALA 233 CO 0.34 0.65 1.45 -1.64 0.00 0.00 0.00 175.76 176.56 1oql s MET 234 N -1.79 4.28 -0.04 0.00 -1.94 -0.18 -1.66 119.30 117.97 1oql s MET 234 Ca 0.28 2.22 0.01 0.00 -1.71 0.00 0.00 55.69 56.50 1oql s MET 234 Cb -0.13 -3.17 0.02 0.00 2.01 0.00 0.00 34.83 33.55 1oql s MET 234 CO 0.16 -0.47 -0.05 0.34 -0.01 0.00 0.00 175.02 175.00 1oql s ASP 235 N 0.83 0.92 -0.60 3.03 -1.08 0.25 -4.48 116.67 115.55 1oql s ASP 235 Ca 0.64 -0.13 -0.28 0.00 -0.52 0.00 0.00 52.55 52.26 1oql s ASP 235 Cb -0.40 -0.45 0.03 0.00 -1.46 0.00 0.00 42.92 40.64 1oql s ASP 235 CO 0.35 -0.05 1.19 -0.69 0.52 0.00 0.00 175.17 176.49 1oql s VAL 236 N 0.88 4.00 -0.34 1.11 1.01 0.10 0.15 120.40 127.31 1oql s VAL 236 Ca -0.12 0.81 -0.31 0.00 0.00 0.00 0.00 61.98 62.36 1oql s VAL 236 Cb -0.14 -4.74 -0.13 0.00 0.00 0.00 0.00 36.38 31.36 1oql s VAL 236 CO 0.00 -1.40 1.22 0.00 0.00 0.00 0.00 175.10 174.93 1oql n ALA 237 N 8.51 -0.55 -2.71 5.51 0.00 -0.98 -1.39 120.51 128.89 1oql n ALA 237 Ca 0.07 0.27 -0.15 0.00 0.00 0.00 0.00 53.44 53.63 1oql n ALA 237 Cb 0.49 -1.35 -0.00 0.00 0.00 0.00 0.00 19.45 18.59 1oql n ALA 237 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1oql n GLN 238 N 3.56 -2.69 -2.68 0.00 6.02 -1.26 -0.73 117.38 119.60 1oql n GLN 238 Ca 0.27 0.56 -0.13 0.00 -0.01 0.00 0.00 57.00 57.69 1oql n GLN 238 Cb -0.04 -5.20 -0.00 0.00 1.02 0.00 0.00 30.24 26.02 1oql n GLN 238 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1oql n ALA 239 N -2.63 -0.88 -3.81 -1.58 0.00 -0.49 -4.91 120.51 106.21 1oql n ALA 239 Ca -0.11 0.08 -0.30 0.00 0.00 0.00 0.00 53.44 53.11 1oql n ALA 239 Cb 0.59 -1.66 -0.14 0.00 0.00 0.00 0.00 19.45 18.24 1oql n ALA 239 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1oql s ASN 240 N -2.20 4.06 0.55 0.00 3.04 0.09 -4.97 114.94 115.50 1oql s ASN 240 Ca 0.10 -2.33 0.31 0.00 0.04 0.00 0.00 52.86 50.98 1oql s ASN 240 Cb -0.05 -1.19 1.47 0.00 -1.54 0.00 0.00 41.25 39.94 1oql s ASN 240 CO 0.12 -0.32 1.88 -0.65 -3.04 0.00 0.00 177.10 175.09 1oql h PRO 241 N 7.22 0.00 -0.82 0.43 0.11 -1.90 -1.70 132.00 135.34 1oql h PRO 241 Ca -0.06 0.00 0.04 0.00 0.11 0.00 0.00 66.00 66.09 1oql h PRO 241 Cb 0.96 0.00 -0.05 0.00 0.11 0.00 0.00 31.00 32.02 1oql h PRO 241 CO 0.52 0.00 0.54 0.87 -0.21 0.00 0.00 178.00 179.71 1oql h LYS 242 N 0.00 0.95 0.00 1.05 1.79 -1.92 -1.89 116.57 116.55 1oql h LYS 242 Ca 0.39 -0.06 0.00 0.00 -2.18 0.00 0.00 60.65 58.80 1oql h LYS 242 Cb 1.63 -0.21 0.00 0.00 -1.58 0.00 0.00 32.23 32.07 1oql h LYS 242 CO -0.00 0.63 0.00 -0.07 -1.08 0.00 0.00 179.45 178.93 1oql h LEU 243 N 0.98 0.00 -1.40 2.94 3.38 -1.62 -3.46 115.31 116.13 1oql h LEU 243 Ca 0.33 0.00 -0.38 0.00 0.09 0.00 0.00 57.88 57.92 1oql h LEU 243 Cb 0.09 0.00 0.12 0.00 0.09 0.00 0.00 40.66 40.96 1oql h LEU 243 CO -0.10 0.00 -0.76 0.54 0.09 0.00 0.00 178.44 178.21 1oql n ARG 244 N -3.01 -6.51 -3.74 1.13 1.74 -0.71 -5.01 116.66 100.55 1oql n ARG 244 Ca -0.03 0.77 -0.12 0.00 -0.77 0.00 0.00 57.85 57.70 1oql n ARG 244 Cb 0.09 -5.69 -0.11 0.00 -1.02 0.00 0.00 32.46 25.73 1oql n ARG 244 CO 0.00 0.00 0.00 1.03 -1.52 0.00 0.00 177.63 177.14 1oql s ARG 245 N -5.87 0.37 -0.08 5.56 0.52 -1.26 -4.74 118.95 113.44 1oql s ARG 245 Ca 0.23 0.54 -0.01 0.00 -0.52 0.00 0.00 55.73 55.97 1oql s ARG 245 Cb -0.10 0.11 -0.03 0.00 0.52 0.00 0.00 34.95 35.44 1oql s ARG 245 CO 0.76 -0.08 -0.04 0.42 0.02 0.00 0.00 175.30 176.37 1oql s ILE 246 N 0.56 3.90 0.33 1.52 1.01 -1.26 -2.32 121.20 124.94 1oql s ILE 246 Ca -0.03 -0.40 0.03 0.00 0.00 0.00 0.00 60.65 60.25 1oql s ILE 246 Cb -0.05 -2.62 -0.05 0.00 0.01 0.00 0.00 42.46 39.75 1oql s ILE 246 CO -0.03 0.59 0.10 0.27 0.00 0.00 0.00 174.94 175.86 1oql s ILE 247 N -0.67 0.78 0.00 2.92 -4.36 0.12 -0.94 121.20 119.05 1oql s ILE 247 Ca 0.10 -2.00 -0.15 0.00 -0.26 0.00 0.00 60.65 58.34 1oql s ILE 247 Cb -0.12 -2.60 -0.06 0.00 1.25 0.00 0.00 42.46 40.93 1oql s ILE 247 CO 0.02 0.00 0.42 -0.63 0.24 0.00 0.00 174.94 174.99 1oql s ILE 248 N -3.42 5.01 -0.20 8.37 -1.09 -0.78 0.88 121.20 129.97 1oql s ILE 248 Ca 0.33 0.86 -0.28 0.00 -2.23 0.00 0.00 60.65 59.33 1oql s ILE 248 Cb 0.06 -3.72 0.12 0.00 -1.58 0.00 0.00 42.46 37.34 1oql s ILE 248 CO 0.15 0.58 0.98 -0.47 -1.23 0.00 0.00 174.94 174.95 1oql s TYR 249 N -1.08 -0.44 0.00 3.97 5.04 -0.66 -0.23 117.35 123.96 1oql s TYR 249 Ca 0.24 0.88 -0.38 0.00 -2.44 0.00 0.00 57.07 55.38 1oql s TYR 249 Cb -0.17 0.41 -0.17 0.00 0.35 0.00 0.00 41.96 42.38 1oql s TYR 249 CO 0.14 -0.32 1.39 -2.30 -1.34 0.00 0.00 175.55 173.12 1oql n PRO 250 N 1.33 1.02 -1.73 4.97 -0.02 -1.26 -0.75 135.00 138.56 1oql n PRO 250 Ca -0.12 0.37 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1oql n PRO 250 Cb 0.57 -2.00 -0.01 0.00 -0.02 0.00 0.00 33.50 32.04 1oql n PRO 250 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1oql n ALA 251 N 2.95 1.80 0.00 3.55 0.00 -1.26 -4.77 120.51 122.77 1oql n ALA 251 Ca 0.20 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.00 1oql n ALA 251 Cb 0.17 -2.34 0.00 0.00 0.00 0.00 0.00 19.45 17.28 1oql n ALA 251 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1oql n THR 252 N 0.75 0.00 -0.46 0.00 -2.24 -1.26 -5.01 114.28 106.06 1oql n THR 252 Ca 0.05 -0.10 0.00 0.00 -2.27 0.00 0.00 64.05 61.73 1oql n THR 252 Cb 0.37 0.80 0.00 0.00 -2.10 0.00 0.00 70.33 69.40 1oql n THR 252 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1oql n GLY 253 N 0.33 1.54 3.74 3.38 0.00 -1.26 -4.98 105.19 107.94 1oql n GLY 253 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1oql n GLY 253 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1oql s LYS 254 N -0.11 2.22 0.52 1.61 -0.14 -1.26 -4.91 119.74 117.67 1oql s LYS 254 Ca 0.00 1.52 0.33 0.00 -1.36 0.00 0.00 55.97 56.46 1oql s LYS 254 Cb 0.00 -1.87 1.48 0.00 -1.68 0.00 0.00 37.83 35.76 1oql s LYS 254 CO 0.00 -1.72 1.81 -1.35 -0.76 0.00 0.00 175.35 173.32 1oql h PRO 255 N -0.53 0.06 -0.04 -1.68 0.11 -1.97 -1.25 132.00 126.69 1oql h PRO 255 Ca -0.46 -0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.65 1oql h PRO 255 Cb 1.27 -0.01 0.00 0.00 0.11 0.00 0.00 31.00 32.36 1oql h PRO 255 CO 0.50 0.04 0.00 0.27 -0.21 0.00 0.00 178.00 178.60 1oql n ASN 256 N -4.26 0.42 -1.11 -2.05 6.94 -1.26 -3.04 115.26 110.90 1oql n ASN 256 Ca 0.25 -1.52 -0.00 0.00 -0.02 0.00 0.00 54.58 53.29 1oql n ASN 256 Cb 1.17 -0.03 0.14 0.00 -2.36 0.00 0.00 39.78 38.70 1oql n ASN 256 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1oql n GLN 257 N -0.49 1.70 -4.90 -3.83 6.02 -0.47 -0.72 117.38 114.69 1oql n GLN 257 Ca 0.14 -3.26 -0.28 0.00 -0.01 0.00 0.00 57.00 53.59 1oql n GLN 257 Cb 0.13 -1.47 -0.17 0.00 1.02 0.00 0.00 30.24 29.75 1oql n GLN 257 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1oql s MET 258 N -2.80 2.22 0.24 -1.09 -1.94 -1.17 -4.23 119.30 110.52 1oql s MET 258 Ca 0.39 -0.65 0.01 0.00 -1.71 0.00 0.00 55.69 53.73 1oql s MET 258 Cb 0.38 -1.78 -0.04 0.00 2.01 0.00 0.00 34.83 35.39 1oql s MET 258 CO -0.07 0.16 0.14 -1.58 -0.01 0.00 0.00 175.02 173.66 1oql s TRP 259 N 0.34 1.35 -0.28 -0.03 0.52 -0.07 -3.68 118.94 117.09 1oql s TRP 259 Ca -0.13 -1.35 -0.02 0.00 0.02 0.00 0.00 56.10 54.63 1oql s TRP 259 Cb -0.15 -0.69 0.17 0.00 -1.15 0.00 0.00 33.47 31.65 1oql s TRP 259 CO 0.05 -0.57 0.53 -1.17 0.02 0.00 0.00 176.95 175.81 1oql s LEU 260 N -3.24 -1.14 0.16 2.99 2.96 -0.34 -4.72 118.68 115.35 1oql s LEU 260 Ca 0.38 0.69 -0.26 0.00 -0.22 0.00 0.00 54.13 54.72 1oql s LEU 260 Cb 0.07 1.83 -0.08 0.00 0.50 0.00 0.00 46.19 48.51 1oql s LEU 260 CO 0.14 -0.27 0.80 -2.16 -1.32 0.00 0.00 176.35 173.54 1oql s PRO 261 N 2.76 4.60 -0.02 0.98 0.04 -1.26 -0.77 135.00 141.33 1oql s PRO 261 Ca 0.18 1.20 0.01 0.00 0.04 0.00 0.00 61.00 62.42 1oql s PRO 261 Cb -0.15 -3.28 0.02 0.00 0.04 0.00 0.00 34.50 31.13 1oql s PRO 261 CO -0.19 0.52 -0.02 0.08 0.04 0.00 0.00 177.00 177.43 1oql s VAL 262 N -0.99 0.29 -2.00 -0.36 1.01 -0.22 -4.93 120.40 113.20 1oql s VAL 262 Ca 0.37 -0.04 0.06 0.00 0.00 0.00 0.00 61.98 62.37 1oql s VAL 262 Cb -0.23 -0.32 0.16 0.00 0.00 0.00 0.00 36.38 35.99 1oql s VAL 262 CO 0.27 0.14 0.81 -2.65 0.00 0.00 0.00 175.10 173.67