#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xyn n SER 2 N 0.00 0.00 -4.69 0.00 3.41 -1.26 -5.07 113.62 106.01 1xyn n SER 2 Ca 0.00 0.00 -0.43 0.00 -0.26 0.00 0.00 58.87 58.18 1xyn n SER 2 Cb 0.00 0.00 -0.03 0.00 -0.26 0.00 0.00 64.21 63.92 1xyn n SER 2 CO 0.00 0.00 0.00 -0.38 -0.16 0.00 0.00 175.04 174.50 1xyn n ILE 3 N 0.00 0.27 -1.16 -1.33 2.08 -1.26 -4.84 119.36 113.11 1xyn n ILE 3 Ca 0.00 -0.05 0.01 0.00 0.56 0.00 0.00 62.75 63.27 1xyn n ILE 3 Cb 0.00 -2.05 0.02 0.00 -0.75 0.00 0.00 39.64 36.86 1xyn n ILE 3 CO 0.00 0.00 0.00 -0.46 0.56 0.00 0.00 176.55 176.65 1xyn n ASN 4 N 5.15 0.58 -3.79 4.38 6.94 -0.42 -5.00 115.26 123.10 1xyn n ASN 4 Ca 0.18 -1.71 -0.13 0.00 -0.02 0.00 0.00 54.58 52.90 1xyn n ASN 4 Cb 0.36 -0.11 -0.14 0.00 -2.36 0.00 0.00 39.78 37.53 1xyn n ASN 4 CO 0.00 0.00 0.00 -0.47 -1.03 0.00 0.00 177.26 175.76 1xyn s TYR 5 N -0.48 -0.12 -0.25 -2.53 5.04 -0.92 -4.52 117.35 113.56 1xyn s TYR 5 Ca 0.04 0.35 0.02 0.00 -2.44 0.00 0.00 57.07 55.03 1xyn s TYR 5 Cb 0.03 -0.05 0.05 0.00 0.35 0.00 0.00 41.96 42.34 1xyn s TYR 5 CO 0.00 -0.11 -0.11 0.34 -1.34 0.00 0.00 175.55 174.34 1xyn s ASP 6 N 0.69 4.29 -0.39 4.32 2.15 -1.26 -0.81 116.67 125.66 1xyn s ASP 6 Ca -0.05 -1.23 -0.26 0.00 0.43 0.00 0.00 52.55 51.44 1xyn s ASP 6 Cb -0.07 -1.57 0.02 0.00 -0.30 0.00 0.00 42.92 41.00 1xyn s ASP 6 CO -0.03 -0.16 0.92 -1.58 -0.17 0.00 0.00 175.17 174.15 1xyn s GLN 7 N 1.16 3.77 -0.39 4.34 2.00 0.15 -4.97 119.66 125.73 1xyn s GLN 7 Ca -0.06 0.48 0.01 0.00 -2.00 0.00 0.00 55.36 53.79 1xyn s GLN 7 Cb -0.19 -3.83 0.14 0.00 0.80 0.00 0.00 33.01 29.93 1xyn s GLN 7 CO -0.06 -1.01 0.23 1.21 -0.50 0.00 0.00 175.29 175.16 1xyn s ASN 8 N 1.97 3.16 -0.05 6.67 3.84 -1.25 -0.94 114.94 128.33 1xyn s ASN 8 Ca 0.38 -2.39 0.05 0.00 0.21 0.00 0.00 52.86 51.11 1xyn s ASN 8 Cb -0.12 -0.64 -0.01 0.00 -0.55 0.00 0.00 41.25 39.94 1xyn s ASN 8 CO 0.20 -0.29 -0.21 -0.47 -2.79 0.00 0.00 177.10 173.54 1xyn s TYR 9 N 0.76 2.12 -0.22 0.43 5.04 -0.05 -5.00 117.35 120.43 1xyn s TYR 9 Ca 0.19 -0.65 -0.27 0.00 -2.44 0.00 0.00 57.07 53.90 1xyn s TYR 9 Cb -0.22 -1.41 0.10 0.00 0.35 0.00 0.00 41.96 40.78 1xyn s TYR 9 CO -0.00 -0.21 0.90 1.14 -1.34 0.00 0.00 175.55 176.04 1xyn s GLN 10 N -0.02 0.68 -0.01 4.97 -2.07 -1.26 -0.31 119.66 121.64 1xyn s GLN 10 Ca -0.05 0.53 0.10 0.00 -1.82 0.00 0.00 55.36 54.12 1xyn s GLN 10 Cb -0.13 0.33 -0.14 0.00 -1.09 0.00 0.00 33.01 31.98 1xyn s GLN 10 CO 0.03 -0.14 0.30 0.25 -1.32 0.00 0.00 175.29 174.41 1xyn n THR 11 N 1.78 0.00 0.00 3.63 -2.24 -1.05 -5.00 114.28 111.41 1xyn n THR 11 Ca -0.13 -0.25 0.00 0.00 -2.27 0.00 0.00 64.05 61.40 1xyn n THR 11 Cb 0.56 0.54 0.00 0.00 -2.10 0.00 0.00 70.33 69.33 1xyn n THR 11 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyn n GLY 12 N 1.67 -0.54 7.00 3.38 0.00 -1.26 -5.02 105.19 110.42 1xyn n GLY 12 Ca -0.00 -1.08 0.00 0.00 0.00 0.00 0.00 46.02 44.93 1xyn n GLY 12 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyn n GLY 13 N -0.38 -1.67 3.48 -0.02 0.00 -1.26 -4.57 105.19 100.78 1xyn n GLY 13 Ca 0.00 -1.27 -0.43 0.00 0.00 0.00 0.00 46.02 44.32 1xyn n GLY 13 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xyn s GLN 14 N 0.00 3.21 -0.23 1.61 0.74 -1.01 -4.96 119.66 119.02 1xyn s GLN 14 Ca 0.00 -0.59 -0.01 0.00 0.05 0.00 0.00 55.36 54.81 1xyn s GLN 14 Cb 0.00 -4.14 0.07 0.00 1.10 0.00 0.00 33.01 30.04 1xyn s GLN 14 CO 0.00 -1.61 0.01 0.08 -0.55 0.00 0.00 175.29 173.22 1xyn s VAL 15 N 3.87 0.93 -0.63 1.34 1.01 -1.26 -0.05 120.40 125.61 1xyn s VAL 15 Ca 0.25 -0.92 -0.12 0.00 0.00 0.00 0.00 61.98 61.19 1xyn s VAL 15 Cb -0.15 -1.39 0.16 0.00 0.00 0.00 0.00 36.38 34.99 1xyn s VAL 15 CO 0.14 -0.24 0.54 -0.44 0.00 0.00 0.00 175.10 175.10 1xyn s SER 16 N 1.66 6.14 -0.20 3.32 0.01 0.73 -4.98 113.70 120.39 1xyn s SER 16 Ca -0.01 -2.24 -0.09 0.00 1.31 0.00 0.00 55.95 54.92 1xyn s SER 16 Cb -0.18 -2.12 -0.05 0.00 0.21 0.00 0.00 66.02 63.89 1xyn s SER 16 CO -0.10 -0.67 0.11 -0.47 0.41 0.00 0.00 173.24 172.52 1xyn s TYR 17 N 0.88 3.36 -0.42 2.43 5.04 -1.26 -1.88 117.35 125.50 1xyn s TYR 17 Ca 0.10 0.24 0.02 0.00 -2.44 0.00 0.00 57.07 54.99 1xyn s TYR 17 Cb -0.21 -2.14 0.13 0.00 0.35 0.00 0.00 41.96 40.08 1xyn s TYR 17 CO -0.03 0.24 0.20 -1.12 -1.34 0.00 0.00 175.55 173.51 1xyn s SER 18 N 0.39 3.87 0.67 4.32 0.01 0.47 -4.99 113.70 118.44 1xyn s SER 18 Ca 0.06 -2.47 -0.13 0.00 1.31 0.00 0.00 55.95 54.73 1xyn s SER 18 Cb -0.12 -1.12 0.00 0.00 0.21 0.00 0.00 66.02 65.00 1xyn s SER 18 CO -0.01 -0.30 1.07 -2.16 0.41 0.00 0.00 173.24 172.26 1xyn s PRO 19 N 0.54 2.91 0.35 12.44 0.04 -1.26 -1.58 135.00 148.44 1xyn s PRO 19 Ca 0.16 1.15 -0.04 0.00 0.04 0.00 0.00 61.00 62.31 1xyn s PRO 19 Cb -0.23 -1.98 0.01 0.00 0.04 0.00 0.00 34.50 32.34 1xyn s PRO 19 CO -0.04 -1.13 0.52 -1.54 0.04 0.00 0.00 177.00 174.84 1xyn s SER 20 N -3.17 0.87 0.34 6.66 1.04 0.01 -4.93 113.70 114.51 1xyn s SER 20 Ca 0.62 -1.47 0.14 0.00 0.48 0.00 0.00 55.95 55.72 1xyn s SER 20 Cb -0.16 0.69 0.59 0.00 0.10 0.00 0.00 66.02 67.24 1xyn s SER 20 CO 0.47 -1.36 1.72 -0.55 0.98 0.00 0.00 173.24 174.50 1xyn h ASN 21 N 2.08 0.00 -0.08 7.02 -0.00 -1.97 -3.29 115.58 119.34 1xyn h ASN 21 Ca -0.29 0.00 0.00 0.00 -0.00 0.00 0.00 56.30 56.01 1xyn h ASN 21 Cb 1.24 0.00 0.00 0.00 -0.00 0.00 0.00 38.32 39.56 1xyn h ASN 21 CO 0.39 0.46 0.00 0.35 -0.00 0.00 0.00 177.43 178.63 1xyn n THR 22 N -3.78 1.19 0.00 6.14 -2.24 -1.26 -4.57 114.28 109.77 1xyn n THR 22 Ca -0.01 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.54 1xyn n THR 22 Cb 0.52 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 1xyn n THR 22 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1xyn n GLY 23 N -0.44 -0.58 3.72 3.38 0.00 -1.24 -1.45 105.19 108.59 1xyn n GLY 23 Ca 0.06 -0.61 -0.07 0.00 0.00 0.00 0.00 46.02 45.40 1xyn n GLY 23 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1xyn s PHE 24 N -4.00 -0.25 0.01 1.61 -0.71 -0.52 -0.81 117.98 113.31 1xyn s PHE 24 Ca 0.00 -0.09 0.00 0.00 -1.04 0.00 0.00 56.93 55.80 1xyn s PHE 24 Cb 0.00 0.65 -0.01 0.00 -1.21 0.00 0.00 43.02 42.45 1xyn s PHE 24 CO 0.00 -1.00 -0.02 0.45 -1.34 0.00 0.00 175.22 173.31 1xyn s SER 25 N -2.86 0.24 -0.14 1.98 0.15 -0.61 -1.28 113.70 111.17 1xyn s SER 25 Ca 0.09 -0.26 -0.13 0.00 0.70 0.00 0.00 55.95 56.35 1xyn s SER 25 Cb -0.03 0.04 0.04 0.00 -1.71 0.00 0.00 66.02 64.35 1xyn s SER 25 CO 0.01 -0.13 0.38 0.68 1.20 0.00 0.00 173.24 175.37 1xyn s VAL 26 N -0.73 -0.00 -0.04 4.45 -7.23 0.20 -0.39 120.40 116.65 1xyn s VAL 26 Ca -0.07 0.01 0.02 0.00 -1.81 0.00 0.00 61.98 60.13 1xyn s VAL 26 Cb -0.05 -0.53 0.01 0.00 0.56 0.00 0.00 36.38 36.36 1xyn s VAL 26 CO -0.00 0.00 -0.10 0.20 -0.31 0.00 0.00 175.10 174.89 1xyn s ASN 27 N 0.31 1.40 0.08 4.85 0.01 -0.79 -0.60 114.94 120.20 1xyn s ASN 27 Ca -0.01 -0.22 -0.06 0.00 -0.71 0.00 0.00 52.86 51.86 1xyn s ASN 27 Cb -0.03 -0.49 -0.02 0.00 0.41 0.00 0.00 41.25 41.12 1xyn s ASN 27 CO -0.01 0.05 0.11 -1.66 -1.51 0.00 0.00 177.10 174.08 1xyn s TRP 28 N 0.40 0.31 -0.49 2.20 -2.14 -0.40 -0.19 118.94 118.63 1xyn s TRP 28 Ca -0.07 -0.79 0.05 0.00 2.66 0.00 0.00 56.10 57.95 1xyn s TRP 28 Cb -0.12 -0.19 0.20 0.00 -3.10 0.00 0.00 33.47 30.26 1xyn s TRP 28 CO 0.01 -0.49 0.80 -1.71 -2.66 0.00 0.00 176.95 172.91 1xyn n ASN 29 N -0.00 -3.13 -4.04 -2.66 5.15 0.93 -2.05 115.26 109.47 1xyn n ASN 29 Ca -0.14 -2.66 -0.08 0.00 -0.60 0.00 0.00 54.58 51.10 1xyn n ASN 29 Cb 0.62 1.61 -0.09 0.00 -0.53 0.00 0.00 39.78 41.39 1xyn n ASN 29 CO 0.00 0.00 0.00 0.28 1.40 0.00 0.00 177.26 178.94 1xyn s THR 30 N 0.86 0.19 -0.36 -0.44 -1.32 -0.31 -2.41 115.64 111.86 1xyn s THR 30 Ca 0.29 -1.66 0.22 0.00 -1.21 0.00 0.00 61.69 59.33 1xyn s THR 30 Cb 0.04 -1.52 -0.27 0.00 -1.51 0.00 0.00 72.50 69.24 1xyn s THR 30 CO -0.07 -0.87 0.68 0.00 -2.21 0.00 0.00 174.62 172.15 1xyn n GLN 31 N 0.05 0.44 -3.91 7.08 1.13 -1.26 -1.05 117.38 119.86 1xyn n GLN 31 Ca -0.13 -0.11 -0.34 0.00 -1.94 0.00 0.00 57.00 54.48 1xyn n GLN 31 Cb 0.62 -1.54 -0.05 0.00 0.11 0.00 0.00 30.24 29.38 1xyn n GLN 31 CO 0.00 0.00 0.00 -0.51 -1.44 0.00 0.00 177.06 175.11 1xyn s ASP 32 N -4.09 6.35 0.43 1.08 1.01 -1.26 -3.48 116.67 116.72 1xyn s ASP 32 Ca -0.02 0.35 -0.25 0.00 0.71 0.00 0.00 52.55 53.34 1xyn s ASP 32 Cb 0.14 -2.00 -0.08 0.00 1.01 0.00 0.00 42.92 42.00 1xyn s ASP 32 CO 0.88 0.27 1.29 -0.62 0.21 0.00 0.00 175.17 177.20 1xyn s ASP 33 N -1.88 6.14 -0.07 0.27 2.15 -1.25 -4.49 116.67 117.53 1xyn s ASP 33 Ca 0.26 2.62 -0.16 0.00 0.43 0.00 0.00 52.55 55.70 1xyn s ASP 33 Cb -0.13 -2.63 0.04 0.00 -0.30 0.00 0.00 42.92 39.90 1xyn s ASP 33 CO 0.18 -0.97 0.39 0.72 -0.17 0.00 0.00 175.17 175.32 1xyn s PHE 34 N -1.31 -0.34 -0.23 -5.34 -0.71 -1.16 -2.52 117.98 106.38 1xyn s PHE 34 Ca 0.60 0.69 -0.01 0.00 -1.04 0.00 0.00 56.93 57.17 1xyn s PHE 34 Cb -0.37 0.15 0.07 0.00 -1.21 0.00 0.00 43.02 41.66 1xyn s PHE 34 CO 0.47 -0.35 0.02 0.08 -1.34 0.00 0.00 175.22 174.10 1xyn s VAL 35 N -0.70 0.88 0.11 -2.49 1.01 0.58 -2.93 120.40 116.85 1xyn s VAL 35 Ca -0.08 -0.90 0.07 0.00 0.00 0.00 0.00 61.98 61.07 1xyn s VAL 35 Cb -0.04 -1.37 -0.03 0.00 0.00 0.00 0.00 36.38 34.94 1xyn s VAL 35 CO 0.03 -0.26 -0.18 0.68 0.00 0.00 0.00 175.10 175.37 1xyn s VAL 36 N 1.68 1.56 0.00 2.92 -7.23 -0.93 -0.87 120.40 117.53 1xyn s VAL 36 Ca -0.00 -1.56 0.00 0.00 -1.81 0.00 0.00 61.98 58.61 1xyn s VAL 36 Cb -0.18 -1.49 0.00 0.00 0.56 0.00 0.00 36.38 35.28 1xyn s VAL 36 CO -0.10 -0.16 0.00 0.61 -0.31 0.00 0.00 175.10 175.13 1xyn n GLY 37 N 0.97 -0.73 3.24 2.32 0.00 -0.12 -0.97 105.19 109.90 1xyn n GLY 37 Ca -0.19 -1.24 -0.17 0.00 0.00 0.00 0.00 46.02 44.43 1xyn n GLY 37 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xyn s VAL 38 N -2.00 1.27 0.00 1.61 -7.23 -1.13 0.33 120.40 113.26 1xyn s VAL 38 Ca 0.00 -1.78 0.00 0.00 -1.81 0.00 0.00 61.98 58.39 1xyn s VAL 38 Cb 0.00 -1.57 0.00 0.00 0.56 0.00 0.00 36.38 35.37 1xyn s VAL 38 CO 0.00 -0.49 0.00 0.61 -0.31 0.00 0.00 175.10 174.91 1xyn n GLY 39 N 0.39 -0.41 3.12 2.32 0.00 0.01 -2.05 105.19 108.57 1xyn n GLY 39 Ca -0.14 0.40 -0.18 0.00 0.00 0.00 0.00 46.02 46.10 1xyn n GLY 39 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyn s TRP 40 N 0.00 1.07 0.46 1.61 0.51 -0.30 -1.30 118.94 120.98 1xyn s TRP 40 Ca 0.00 -0.39 0.14 0.00 -2.12 0.00 0.00 56.10 53.73 1xyn s TRP 40 Cb 0.00 -0.63 1.03 0.00 -0.81 0.00 0.00 33.47 33.07 1xyn s TRP 40 CO 0.00 0.02 2.03 1.15 -0.51 0.00 0.00 176.95 179.64 1xyn h THR 41 N 4.49 1.10 -3.19 2.01 2.02 -1.87 -1.38 112.91 116.09 1xyn h THR 41 Ca -0.38 -0.45 -0.46 0.00 0.77 0.00 0.00 66.41 65.90 1xyn h THR 41 Cb 1.19 1.17 -0.40 0.00 -1.74 0.00 0.00 68.15 68.37 1xyn h THR 41 CO 0.43 0.13 -0.76 0.42 0.37 0.00 0.00 175.52 176.12 1xyn s THR 42 N -4.83 0.17 0.75 3.16 -4.23 -1.26 -2.68 115.64 106.73 1xyn s THR 42 Ca -0.05 -0.15 -0.12 0.00 -1.18 0.00 0.00 61.69 60.19 1xyn s THR 42 Cb 0.16 -0.65 0.05 0.00 1.34 0.00 0.00 72.50 73.40 1xyn s THR 42 CO 0.70 -0.10 1.11 -0.83 -0.54 0.00 0.00 174.62 174.96 1xyn s GLY 43 N 2.03 1.88 0.00 3.99 0.00 0.33 -4.86 107.32 110.69 1xyn s GLY 43 Ca 0.02 0.44 0.00 0.00 0.00 0.00 0.00 44.72 45.18 1xyn s GLY 43 CO -0.07 0.80 0.00 -1.14 0.00 0.00 0.00 173.10 172.69 1xyn n SER 44 N -3.19 0.31 -0.72 1.64 3.41 -1.26 -4.86 113.62 108.95 1xyn n SER 44 Ca 0.10 -0.52 0.13 0.00 -0.26 0.00 0.00 58.87 58.32 1xyn n SER 44 Cb 0.52 0.00 0.32 0.00 -0.26 0.00 0.00 64.21 64.79 1xyn n SER 44 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1xyn n SER 45 N -1.41 2.24 -4.71 4.04 7.64 -1.26 -4.90 113.62 115.26 1xyn n SER 45 Ca 0.00 -1.75 -0.42 0.00 1.01 0.00 0.00 58.87 57.71 1xyn n SER 45 Cb 0.00 -0.01 -0.03 0.00 -1.01 0.00 0.00 64.21 63.16 1xyn n SER 45 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1xyn s ALA 46 N -1.98 3.72 0.05 -0.43 0.00 -1.26 -4.38 121.76 117.48 1xyn s ALA 46 Ca 0.33 1.28 -0.31 0.00 0.00 0.00 0.00 51.96 53.26 1xyn s ALA 46 Cb 0.20 -3.63 -0.10 0.00 0.00 0.00 0.00 23.12 19.59 1xyn s ALA 46 CO 0.32 -0.86 1.89 -2.30 0.00 0.00 0.00 175.76 174.81 1xyn n PRO 47 N 4.49 2.69 -3.21 0.00 -0.02 -1.26 -4.63 135.00 133.05 1xyn n PRO 47 Ca 0.14 0.98 -0.39 0.00 -2.02 0.00 0.00 63.50 62.21 1xyn n PRO 47 Cb 0.40 -2.89 -0.06 0.00 -0.02 0.00 0.00 33.50 30.93 1xyn n PRO 47 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 1xyn s ILE 48 N 3.60 5.10 -0.10 4.25 1.01 -0.79 -4.55 121.20 129.73 1xyn s ILE 48 Ca 0.87 1.07 -0.10 0.00 0.00 0.00 0.00 60.65 62.49 1xyn s ILE 48 Cb -0.51 -3.88 -0.05 0.00 0.01 0.00 0.00 42.46 38.03 1xyn s ILE 48 CO 0.42 0.22 0.23 0.20 0.00 0.00 0.00 174.94 176.01 1xyn s ASN 49 N 0.95 6.49 0.05 3.58 0.01 0.53 -0.53 114.94 126.03 1xyn s ASN 49 Ca 0.27 0.58 -0.05 0.00 -0.71 0.00 0.00 52.86 52.96 1xyn s ASN 49 Cb -0.16 -2.13 -0.02 0.00 0.41 0.00 0.00 41.25 39.35 1xyn s ASN 49 CO 0.11 0.32 0.07 0.72 -1.51 0.00 0.00 177.10 176.81 1xyn s PHE 50 N -0.70 0.30 -0.25 2.20 -0.71 -0.41 -1.95 117.98 116.47 1xyn s PHE 50 Ca 0.17 -0.71 -0.33 0.00 -1.04 0.00 0.00 56.93 55.02 1xyn s PHE 50 Cb -0.13 -0.21 0.16 0.00 -1.21 0.00 0.00 43.02 41.63 1xyn s PHE 50 CO 0.06 -0.41 1.29 0.20 -1.34 0.00 0.00 175.22 175.02 1xyn s GLY 51 N -2.54 -0.11 0.00 1.99 0.00 -0.98 -1.19 107.32 104.49 1xyn s GLY 51 Ca 0.01 2.22 0.00 0.00 0.00 0.00 0.00 44.72 46.95 1xyn s GLY 51 CO -0.08 0.84 0.00 0.61 0.00 0.00 0.00 173.10 174.47 1xyn n GLY 52 N 0.26 0.55 3.54 0.20 0.00 -1.15 -0.37 105.19 108.23 1xyn n GLY 52 Ca 0.00 -1.51 -0.25 0.00 0.00 0.00 0.00 46.02 44.26 1xyn n GLY 52 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyn s SER 53 N -4.00 3.80 -0.30 1.61 1.04 -0.35 -4.72 113.70 110.78 1xyn s SER 53 Ca 0.00 -1.10 0.00 0.00 0.48 0.00 0.00 55.95 55.33 1xyn s SER 53 Cb 0.00 -0.38 0.19 0.00 0.10 0.00 0.00 66.02 65.93 1xyn s SER 53 CO 0.00 -0.14 0.75 0.12 0.98 0.00 0.00 173.24 174.95 1xyn s PHE 54 N -2.56 -1.38 -0.09 5.02 5.36 -1.26 -2.33 117.98 120.74 1xyn s PHE 54 Ca 0.32 0.75 0.01 0.00 -0.96 0.00 0.00 56.93 57.05 1xyn s PHE 54 Cb -0.00 0.24 -0.02 0.00 -0.34 0.00 0.00 43.02 42.89 1xyn s PHE 54 CO 0.17 -0.81 -0.11 0.45 -1.46 0.00 0.00 175.22 173.45 1xyn s SER 55 N 2.79 4.26 -0.34 6.13 0.15 0.75 -5.00 113.70 122.43 1xyn s SER 55 Ca 0.16 -0.19 0.03 0.00 0.70 0.00 0.00 55.95 56.65 1xyn s SER 55 Cb -0.07 -1.27 0.10 0.00 -1.71 0.00 0.00 66.02 63.07 1xyn s SER 55 CO -0.24 0.27 0.07 -0.69 1.20 0.00 0.00 173.24 173.86 1xyn s VAL 56 N -0.28 1.93 0.25 4.45 1.01 -1.26 -1.08 120.40 125.42 1xyn s VAL 56 Ca 0.03 -2.14 -0.03 0.00 0.00 0.00 0.00 61.98 59.84 1xyn s VAL 56 Cb -0.13 -2.43 0.11 0.00 0.00 0.00 0.00 36.38 33.93 1xyn s VAL 56 CO 0.03 -0.63 1.76 0.78 0.00 0.00 0.00 175.10 177.03 1xyn h ASN 57 N 7.69 0.80 -5.06 3.32 4.21 -1.46 -3.47 115.58 121.60 1xyn h ASN 57 Ca -0.06 -0.19 0.10 0.00 1.21 0.00 0.00 56.30 57.35 1xyn h ASN 57 Cb 1.01 -0.21 -0.09 0.00 -1.12 0.00 0.00 38.32 37.92 1xyn h ASN 57 CO 0.51 0.85 0.35 -0.94 -1.29 0.00 0.00 177.43 176.91 1xyn s SER 58 N -6.62 -0.30 0.31 5.81 1.04 -1.12 -4.94 113.70 107.88 1xyn s SER 58 Ca -0.10 -0.36 0.00 0.00 0.48 0.00 0.00 55.95 55.97 1xyn s SER 58 Cb 0.15 0.58 0.00 0.00 0.10 0.00 0.00 66.02 66.85 1xyn s SER 58 CO 0.81 -1.04 0.00 0.61 0.98 0.00 0.00 173.24 174.60 1xyn n GLY 59 N -0.42 -1.35 3.77 7.32 0.00 -1.23 -3.32 105.19 109.95 1xyn n GLY 59 Ca -0.07 -1.24 -0.38 0.00 0.00 0.00 0.00 46.02 44.32 1xyn n GLY 59 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyn s THR 60 N 0.00 5.04 -0.09 2.61 2.01 -0.23 -4.47 115.64 120.51 1xyn s THR 60 Ca 0.00 1.03 -0.04 0.00 0.31 0.00 0.00 61.69 62.99 1xyn s THR 60 Cb 0.00 -3.83 0.04 0.00 0.01 0.00 0.00 72.50 68.72 1xyn s THR 60 CO 0.00 0.43 0.20 -0.83 -0.69 0.00 0.00 174.62 173.73 1xyn s GLY 61 N -0.12 -0.10 -0.04 4.40 0.00 -0.67 -2.31 107.32 108.47 1xyn s GLY 61 Ca 0.27 0.82 0.02 0.00 0.00 0.00 0.00 44.72 45.83 1xyn s GLY 61 CO 0.14 1.06 -0.09 1.08 0.00 0.00 0.00 173.10 175.29 1xyn s LEU 62 N 1.10 1.64 -0.25 0.66 1.43 -0.25 -0.46 118.68 122.54 1xyn s LEU 62 Ca -0.08 -0.20 -0.03 0.00 -1.03 0.00 0.00 54.13 52.79 1xyn s LEU 62 Cb -0.10 -0.59 0.02 0.00 0.03 0.00 0.00 46.19 45.55 1xyn s LEU 62 CO -0.07 0.03 -0.04 -0.22 0.23 0.00 0.00 176.35 176.29 1xyn s LEU 63 N 0.48 3.27 0.16 1.79 2.96 -0.27 -1.86 118.68 125.21 1xyn s LEU 63 Ca -0.08 -0.80 -0.23 0.00 -0.22 0.00 0.00 54.13 52.80 1xyn s LEU 63 Cb -0.12 -1.71 0.07 0.00 0.50 0.00 0.00 46.19 44.94 1xyn s LEU 63 CO 0.01 -0.13 0.60 -0.94 -1.32 0.00 0.00 176.35 174.58 1xyn s SER 64 N 1.37 -0.57 -0.05 3.68 1.04 -0.76 -0.85 113.70 117.56 1xyn s SER 64 Ca 0.01 -0.01 -0.30 0.00 0.48 0.00 0.00 55.95 56.14 1xyn s SER 64 Cb -0.16 0.60 -0.03 0.00 0.10 0.00 0.00 66.02 66.53 1xyn s SER 64 CO -0.03 -0.97 1.07 -0.69 0.98 0.00 0.00 173.24 173.59 1xyn s VAL 65 N -3.75 4.60 0.06 5.02 1.01 -0.78 -0.80 120.40 125.75 1xyn s VAL 65 Ca 0.01 1.88 0.07 0.00 0.00 0.00 0.00 61.98 63.94 1xyn s VAL 65 Cb -0.01 -4.20 -0.03 0.00 0.00 0.00 0.00 36.38 32.14 1xyn s VAL 65 CO -0.13 0.06 -0.19 -0.47 0.00 0.00 0.00 175.10 174.37 1xyn s TYR 66 N 1.68 1.63 0.14 5.22 5.04 0.77 -1.19 117.35 130.65 1xyn s TYR 66 Ca 0.52 -0.38 -0.17 0.00 -2.44 0.00 0.00 57.07 54.59 1xyn s TYR 66 Cb -0.22 -0.95 0.06 0.00 0.35 0.00 0.00 41.96 41.21 1xyn s TYR 66 CO 0.23 0.10 0.84 0.41 -1.34 0.00 0.00 175.55 175.79 1xyn n GLY 67 N 1.64 0.72 3.31 8.97 0.00 -0.87 -0.45 105.19 118.51 1xyn n GLY 67 Ca -0.18 -1.10 -0.16 0.00 0.00 0.00 0.00 46.02 44.58 1xyn n GLY 67 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1xyn s TRP 68 N -2.86 1.47 -0.01 1.61 0.52 -0.99 -1.50 118.94 117.18 1xyn s TRP 68 Ca 0.19 -1.07 -0.15 0.00 0.02 0.00 0.00 56.10 55.09 1xyn s TRP 68 Cb -0.02 -0.86 0.02 0.00 -1.15 0.00 0.00 33.47 31.46 1xyn s TRP 68 CO 0.04 -0.22 0.31 0.45 0.02 0.00 0.00 176.95 177.55 1xyn s SER 69 N -3.28 -0.19 0.08 2.95 0.15 -0.13 -2.37 113.70 110.91 1xyn s SER 69 Ca 0.32 0.07 0.09 0.00 0.70 0.00 0.00 55.95 57.13 1xyn s SER 69 Cb 0.07 0.31 -0.03 0.00 -1.71 0.00 0.00 66.02 64.66 1xyn s SER 69 CO 0.10 -0.45 -0.24 0.42 1.20 0.00 0.00 173.24 174.27 1xyn s THR 70 N -1.36 1.95 -0.73 6.45 -4.23 0.03 -1.44 115.64 116.30 1xyn s THR 70 Ca -0.13 -1.45 -0.04 0.00 -1.18 0.00 0.00 61.69 58.88 1xyn s THR 70 Cb -0.05 -1.70 0.01 0.00 1.34 0.00 0.00 72.50 72.09 1xyn s THR 70 CO 0.04 0.17 0.65 -3.20 -0.54 0.00 0.00 174.62 171.74 1xyn n ASN 71 N 1.45 -6.39 -4.84 3.99 5.15 -1.26 0.04 115.26 113.40 1xyn n ASN 71 Ca -0.18 -0.41 -0.31 0.00 -0.60 0.00 0.00 54.58 53.07 1xyn n ASN 71 Cb 0.53 -3.50 0.02 0.00 -0.53 0.00 0.00 39.78 36.30 1xyn n ASN 71 CO 0.00 0.00 0.00 -2.16 1.40 0.00 0.00 177.26 176.50 1xyn s PRO 72 N -3.76 3.37 -0.25 1.20 0.04 -1.26 -4.28 135.00 130.05 1xyn s PRO 72 Ca 0.05 0.91 -0.29 0.00 0.04 0.00 0.00 61.00 61.71 1xyn s PRO 72 Cb -0.01 -2.05 0.00 0.00 0.04 0.00 0.00 34.50 32.49 1xyn s PRO 72 CO 0.82 -0.75 1.16 -1.17 0.04 0.00 0.00 177.00 177.10 1xyn s LEU 73 N -5.08 4.04 -0.03 -3.56 2.96 -1.26 -4.17 118.68 111.59 1xyn s LEU 73 Ca 0.58 1.35 0.01 0.00 -0.22 0.00 0.00 54.13 55.84 1xyn s LEU 73 Cb -0.13 -3.54 0.02 0.00 0.50 0.00 0.00 46.19 43.05 1xyn s LEU 73 CO 0.49 -0.82 -0.01 -0.69 -1.32 0.00 0.00 176.35 174.00 1xyn s VAL 74 N 3.61 0.27 -0.23 1.68 1.01 -0.52 -3.85 120.40 122.37 1xyn s VAL 74 Ca 0.49 0.02 -0.07 0.00 0.00 0.00 0.00 61.98 62.43 1xyn s VAL 74 Cb -0.16 -0.34 -0.03 0.00 0.00 0.00 0.00 36.38 35.85 1xyn s VAL 74 CO 0.14 0.16 0.05 -0.70 0.00 0.00 0.00 175.10 174.75 1xyn s GLU 75 N 0.93 3.71 0.17 2.72 2.12 -0.97 -0.95 118.70 126.43 1xyn s GLU 75 Ca -0.10 -0.46 0.10 0.00 0.36 0.00 0.00 54.97 54.87 1xyn s GLU 75 Cb -0.13 -3.25 -0.04 0.00 0.26 0.00 0.00 34.13 30.96 1xyn s GLU 75 CO -0.01 -0.05 -0.20 1.52 -0.54 0.00 0.00 175.26 175.97 1xyn s TYR 76 N 1.24 1.99 0.03 5.30 -0.85 -0.56 -2.03 117.35 122.46 1xyn s TYR 76 Ca 0.04 -0.43 0.01 0.00 -0.52 0.00 0.00 57.07 56.18 1xyn s TYR 76 Cb -0.14 -0.99 -0.02 0.00 0.38 0.00 0.00 41.96 41.19 1xyn s TYR 76 CO 0.03 0.39 -0.06 0.71 -1.52 0.00 0.00 175.55 175.10 1xyn s TYR 77 N -1.90 0.50 -0.44 -3.49 1.51 -0.67 -2.05 117.35 110.80 1xyn s TYR 77 Ca 0.17 -0.43 0.03 0.00 -1.01 0.00 0.00 57.07 55.84 1xyn s TYR 77 Cb -0.07 -0.31 0.16 0.00 -0.11 0.00 0.00 41.96 41.63 1xyn s TYR 77 CO 0.08 -0.10 0.33 0.42 -1.11 0.00 0.00 175.55 175.17 1xyn s ILE 78 N -1.17 0.78 -0.09 2.71 1.01 -0.33 -1.12 121.20 122.99 1xyn s ILE 78 Ca -0.10 -2.69 -0.30 0.00 0.00 0.00 0.00 60.65 57.57 1xyn s ILE 78 Cb -0.08 -1.54 -0.04 0.00 0.01 0.00 0.00 42.46 40.81 1xyn s ILE 78 CO -0.00 -1.12 1.47 -0.04 0.00 0.00 0.00 174.94 175.25 1xyn s MET 79 N 0.07 4.22 0.03 2.79 -1.94 0.31 -1.87 119.30 122.91 1xyn s MET 79 Ca 0.27 1.95 0.22 0.00 -1.71 0.00 0.00 55.69 56.43 1xyn s MET 79 Cb -0.05 -3.84 -0.11 0.00 2.01 0.00 0.00 34.83 32.83 1xyn s MET 79 CO -0.13 -0.75 0.85 0.39 -0.01 0.00 0.00 175.02 175.36 1xyn n GLU 80 N 6.67 0.38 -3.55 2.03 -0.58 -0.03 -1.12 120.64 124.44 1xyn n GLU 80 Ca 0.15 -0.05 -0.16 0.00 -0.42 0.00 0.00 57.16 56.68 1xyn n GLU 80 Cb 0.44 -1.58 -0.06 0.00 -0.57 0.00 0.00 31.44 29.67 1xyn n GLU 80 CO 0.00 0.00 0.00 0.34 -0.48 0.00 0.00 177.13 176.99 1xyn s ASP 81 N -4.07 -0.63 -0.20 1.62 2.15 -1.00 -0.30 116.67 114.24 1xyn s ASP 81 Ca 0.01 0.80 -0.28 0.00 0.43 0.00 0.00 52.55 53.51 1xyn s ASP 81 Cb 0.14 0.67 0.10 0.00 -0.30 0.00 0.00 42.92 43.53 1xyn s ASP 81 CO 0.84 -0.51 0.88 0.54 -0.17 0.00 0.00 175.17 176.76 1xyn s ASN 82 N -0.89 -0.54 -0.02 -0.34 2.20 -1.26 -1.11 114.94 112.98 1xyn s ASN 82 Ca -0.08 0.85 0.01 0.00 -0.94 0.00 0.00 52.86 52.70 1xyn s ASN 82 Cb -0.01 0.79 0.01 0.00 -2.00 0.00 0.00 41.25 40.04 1xyn s ASN 82 CO 0.07 -0.32 -0.04 -1.00 -2.94 0.00 0.00 177.10 172.88 1xyn s HIS 83 N -0.37 0.53 -1.50 1.54 3.76 0.39 -4.85 115.29 114.79 1xyn s HIS 83 Ca -0.02 -0.11 -0.06 0.00 -0.15 0.00 0.00 55.06 54.73 1xyn s HIS 83 Cb -0.03 -0.44 0.05 0.00 1.11 0.00 0.00 32.58 33.27 1xyn s HIS 83 CO 0.01 -0.09 0.54 0.09 -0.85 0.00 0.00 174.74 174.43 1xyn n ASN 84 N 3.55 -1.33 -4.49 1.40 3.02 -1.26 -1.68 115.26 114.46 1xyn n ASN 84 Ca -0.20 -1.00 -0.42 0.00 -0.03 0.00 0.00 54.58 52.93 1xyn n ASN 84 Cb 0.54 -2.99 -0.09 0.00 -0.61 0.00 0.00 39.78 36.63 1xyn n ASN 84 CO 0.00 0.00 0.00 -0.47 -2.62 0.00 0.00 177.26 174.17 1xyn s TYR 85 N -3.76 3.21 -0.96 3.10 5.04 -1.26 -4.35 117.35 118.36 1xyn s TYR 85 Ca 0.24 -0.34 -0.25 0.00 -2.44 0.00 0.00 57.07 54.27 1xyn s TYR 85 Cb -0.13 -2.71 -0.14 0.00 0.35 0.00 0.00 41.96 39.33 1xyn s TYR 85 CO 0.90 -0.57 2.16 -2.14 -1.34 0.00 0.00 175.55 174.55 1xyn s PRO 86 N 1.93 1.79 -0.77 4.97 0.02 -1.26 -4.86 135.00 136.82 1xyn s PRO 86 Ca 0.09 -0.21 -0.27 0.00 0.02 0.00 0.00 61.00 60.64 1xyn s PRO 86 Cb -0.18 -4.97 -0.16 0.00 0.02 0.00 0.00 34.50 29.21 1xyn s PRO 86 CO 0.12 -4.50 2.52 0.00 -0.33 0.00 0.00 177.00 174.80 1xyn n ALA 87 N 17.43 0.56 -2.83 -1.55 0.00 -1.26 -4.91 120.51 127.95 1xyn n ALA 87 Ca 0.44 -0.68 -0.35 0.00 0.00 0.00 0.00 53.44 52.84 1xyn n ALA 87 Cb 0.46 -2.75 -0.07 0.00 0.00 0.00 0.00 19.45 17.09 1xyn n ALA 87 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.50 176.85 1xyn s GLN 88 N 8.55 3.29 0.00 0.00 -1.52 -1.26 -5.01 119.66 123.71 1xyn s GLN 88 Ca 1.17 -0.29 0.00 0.00 -1.95 0.00 0.00 55.36 54.29 1xyn s GLN 88 Cb -0.69 -3.04 0.00 0.00 -0.22 0.00 0.00 33.01 29.06 1xyn s GLN 88 CO 0.37 0.72 0.00 0.41 -0.25 0.00 0.00 175.29 176.54 1xyn n GLY 89 N 1.63 0.00 3.19 3.09 0.00 -1.26 -4.72 105.19 107.12 1xyn n GLY 89 Ca -0.16 -1.96 -0.31 0.00 0.00 0.00 0.00 46.02 43.59 1xyn n GLY 89 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyn s THR 90 N 0.00 1.89 0.22 2.61 2.01 -0.10 -4.95 115.64 117.31 1xyn s THR 90 Ca 0.00 -0.93 -0.30 0.00 0.31 0.00 0.00 61.69 60.78 1xyn s THR 90 Cb 0.00 -1.64 -0.08 0.00 0.01 0.00 0.00 72.50 70.78 1xyn s THR 90 CO 0.00 0.52 1.10 -0.69 -0.69 0.00 0.00 174.62 174.86 1xyn s VAL 91 N 0.36 3.72 -0.10 3.82 1.01 -1.26 -0.64 120.40 127.30 1xyn s VAL 91 Ca -0.17 1.57 0.06 0.00 0.00 0.00 0.00 61.98 63.45 1xyn s VAL 91 Cb -0.17 -4.00 -0.10 0.00 0.00 0.00 0.00 36.38 32.10 1xyn s VAL 91 CO 0.08 0.31 -0.00 0.29 0.00 0.00 0.00 175.10 175.77 1xyn n LYS 92 N 1.93 1.91 0.00 2.72 4.76 0.84 -4.91 118.16 125.41 1xyn n LYS 92 Ca 0.01 0.01 0.00 0.00 -2.87 0.00 0.00 58.31 55.47 1xyn n LYS 92 Cb 0.46 -1.24 0.00 0.00 -1.84 0.00 0.00 35.03 32.41 1xyn n LYS 92 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 1xyn n GLY 93 N 2.56 -0.62 3.35 0.72 0.00 -1.23 -5.00 105.19 104.98 1xyn n GLY 93 Ca -0.17 -0.51 -0.12 0.00 0.00 0.00 0.00 46.02 45.22 1xyn n GLY 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyn s THR 94 N -4.00 0.00 -0.24 2.61 -4.23 -1.26 -1.02 115.64 107.50 1xyn s THR 94 Ca 0.00 -1.80 -0.15 0.00 -1.18 0.00 0.00 61.69 58.57 1xyn s THR 94 Cb 0.00 -2.44 0.07 0.00 1.34 0.00 0.00 72.50 71.47 1xyn s THR 94 CO 0.00 0.00 0.59 0.54 -0.54 0.00 0.00 174.62 175.21 1xyn s VAL 95 N -3.90 -0.01 -0.26 2.29 0.11 -0.93 -4.92 120.40 112.78 1xyn s VAL 95 Ca 0.34 0.03 -0.13 0.00 -2.93 0.00 0.00 61.98 59.29 1xyn s VAL 95 Cb 0.04 -0.85 -0.04 0.00 -1.53 0.00 0.00 36.38 33.99 1xyn s VAL 95 CO 0.14 0.01 0.26 -0.89 -3.33 0.00 0.00 175.10 171.29 1xyn s THR 96 N 1.33 5.27 -0.17 5.04 2.01 -1.26 -0.27 115.64 127.58 1xyn s THR 96 Ca -0.08 0.35 -0.16 0.00 0.31 0.00 0.00 61.69 62.10 1xyn s THR 96 Cb -0.06 -3.59 0.05 0.00 0.01 0.00 0.00 72.50 68.90 1xyn s THR 96 CO -0.14 0.24 0.47 -0.55 -0.69 0.00 0.00 174.62 173.95 1xyn s SER 97 N 1.50 -0.49 -1.44 3.53 0.15 0.37 -4.98 113.70 112.34 1xyn s SER 97 Ca 0.11 0.93 -0.04 0.00 0.70 0.00 0.00 55.95 57.65 1xyn s SER 97 Cb -0.15 0.95 0.03 0.00 -1.71 0.00 0.00 66.02 65.14 1xyn s SER 97 CO 0.09 -0.17 0.57 0.47 1.20 0.00 0.00 173.24 175.40 1xyn n ASP 98 N 2.79 -1.28 0.00 5.45 8.00 -1.26 -2.48 116.55 127.76 1xyn n ASP 98 Ca -0.13 -0.95 0.00 0.00 0.71 0.00 0.00 54.79 54.42 1xyn n ASP 98 Cb 0.57 -3.30 0.00 0.00 -0.02 0.00 0.00 41.12 38.37 1xyn n ASP 98 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1xyn n GLY 99 N -1.80 0.72 3.83 0.44 0.00 -1.26 -4.96 105.19 102.16 1xyn n GLY 99 Ca -0.23 0.00 -0.06 0.00 0.00 0.00 0.00 46.02 45.73 1xyn n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xyn s ALA 100 N -2.75 -1.31 0.09 4.61 0.00 -1.04 -5.03 121.76 116.34 1xyn s ALA 100 Ca 0.00 -0.23 -0.01 0.00 0.00 0.00 0.00 51.96 51.72 1xyn s ALA 100 Cb 0.00 0.78 -0.04 0.00 0.00 0.00 0.00 23.12 23.86 1xyn s ALA 100 CO 0.00 -1.04 0.27 0.99 0.00 0.00 0.00 175.76 175.98 1xyn s THR 101 N -3.63 5.31 -0.04 0.00 2.01 -1.26 -0.48 115.64 117.56 1xyn s THR 101 Ca 0.12 -0.27 0.05 0.00 0.31 0.00 0.00 61.69 61.90 1xyn s THR 101 Cb -0.05 -3.63 -0.01 0.00 0.01 0.00 0.00 72.50 68.82 1xyn s THR 101 CO 0.06 0.09 -0.20 -0.31 -0.69 0.00 0.00 174.62 173.57 1xyn s TYR 102 N -1.58 1.88 -0.19 4.92 1.51 0.63 -0.55 117.35 123.96 1xyn s TYR 102 Ca 0.37 -0.48 -0.17 0.00 -1.01 0.00 0.00 57.07 55.78 1xyn s TYR 102 Cb -0.13 -1.24 -0.04 0.00 -0.11 0.00 0.00 41.96 40.45 1xyn s TYR 102 CO 0.27 -0.12 0.47 0.95 -1.11 0.00 0.00 175.55 176.01 1xyn s THR 103 N -0.19 5.15 0.00 -0.71 -4.23 -0.66 -2.18 115.64 112.82 1xyn s THR 103 Ca 0.01 0.86 -0.19 0.00 -1.18 0.00 0.00 61.69 61.19 1xyn s THR 103 Cb -0.10 -3.80 -0.06 0.00 1.34 0.00 0.00 72.50 69.88 1xyn s THR 103 CO 0.01 0.22 0.53 -0.63 -0.54 0.00 0.00 174.62 174.21 1xyn s ILE 104 N 1.44 4.92 0.12 2.99 1.01 -0.19 -1.62 121.20 129.88 1xyn s ILE 104 Ca 0.22 1.11 0.06 0.00 0.00 0.00 0.00 60.65 62.04 1xyn s ILE 104 Cb -0.15 -3.86 -0.04 0.00 0.01 0.00 0.00 42.46 38.42 1xyn s ILE 104 CO 0.09 0.48 -0.13 0.26 0.00 0.00 0.00 174.94 175.64 1xyn s TRP 105 N -0.54 1.36 -0.03 3.97 0.52 0.03 -0.11 118.94 124.13 1xyn s TRP 105 Ca 0.28 -0.57 0.03 0.00 0.02 0.00 0.00 56.10 55.86 1xyn s TRP 105 Cb -0.18 -0.71 -0.00 0.00 -1.15 0.00 0.00 33.47 31.43 1xyn s TRP 105 CO 0.16 0.13 -0.13 -2.00 0.02 0.00 0.00 176.95 175.13 1xyn s GLU 106 N -2.73 1.33 0.15 4.98 2.12 0.18 -1.57 118.70 123.17 1xyn s GLU 106 Ca 0.09 -0.45 -0.03 0.00 0.36 0.00 0.00 54.97 54.94 1xyn s GLU 106 Cb -0.04 -1.20 -0.03 0.00 0.26 0.00 0.00 34.13 33.12 1xyn s GLU 106 CO 0.03 0.18 0.12 1.21 -0.54 0.00 0.00 175.26 176.26 1xyn s ASN 107 N 0.10 0.22 -0.03 -1.70 2.47 -0.79 -0.93 114.94 114.29 1xyn s ASN 107 Ca -0.03 -1.17 0.04 0.00 0.42 0.00 0.00 52.86 52.11 1xyn s ASN 107 Cb -0.10 0.34 -0.00 0.00 -1.45 0.00 0.00 41.25 40.04 1xyn s ASN 107 CO 0.01 -0.79 -0.13 -0.89 -3.72 0.00 0.00 177.10 171.58 1xyn s THR 108 N -4.05 1.08 -0.30 -5.21 2.01 -1.26 -0.04 115.64 107.87 1xyn s THR 108 Ca 0.25 -0.54 -0.01 0.00 0.31 0.00 0.00 61.69 61.70 1xyn s THR 108 Cb 0.06 -0.93 0.05 0.00 0.01 0.00 0.00 72.50 71.70 1xyn s THR 108 CO 0.03 0.32 -0.00 -0.13 -0.69 0.00 0.00 174.62 174.15 1xyn s ARG 109 N -0.03 2.37 -0.12 4.92 1.81 0.09 -4.98 118.95 123.01 1xyn s ARG 109 Ca -0.00 -1.31 -0.19 0.00 -1.72 0.00 0.00 55.73 52.50 1xyn s ARG 109 Cb -0.08 -3.16 -0.04 0.00 -0.45 0.00 0.00 34.95 31.22 1xyn s ARG 109 CO 0.01 -0.64 0.53 0.08 -0.68 0.00 0.00 175.30 174.60 1xyn s VAL 110 N 1.22 5.15 -1.34 3.52 1.01 -1.26 -1.58 120.40 127.11 1xyn s VAL 110 Ca -0.05 1.05 -0.03 0.00 0.00 0.00 0.00 61.98 62.96 1xyn s VAL 110 Cb -0.20 -3.87 -0.00 0.00 0.00 0.00 0.00 36.38 32.31 1xyn s VAL 110 CO -0.02 0.28 0.53 0.59 0.00 0.00 0.00 175.10 176.49 1xyn n ASN 111 N 3.89 -1.19 -4.62 3.32 3.02 -1.04 -4.92 115.26 113.73 1xyn n ASN 111 Ca -0.05 -0.97 -0.29 0.00 -0.03 0.00 0.00 54.58 53.24 1xyn n ASN 111 Cb 0.51 -3.33 -0.09 0.00 -0.61 0.00 0.00 39.78 36.27 1xyn n ASN 111 CO 0.00 0.00 0.00 -1.61 -2.62 0.00 0.00 177.26 173.03 1xyn s GLU 112 N -6.34 2.25 0.34 3.52 0.41 0.14 -4.73 118.70 114.28 1xyn s GLU 112 Ca 0.07 -1.04 -0.29 0.00 -0.41 0.00 0.00 54.97 53.30 1xyn s GLU 112 Cb -0.02 -2.34 -0.11 0.00 -1.78 0.00 0.00 34.13 29.88 1xyn s GLU 112 CO 0.87 0.49 1.46 -1.25 -0.49 0.00 0.00 175.26 176.34 1xyn s PRO 113 N -2.48 4.19 0.35 0.39 0.04 -1.26 0.15 135.00 136.38 1xyn s PRO 113 Ca 0.24 2.46 -0.01 0.00 0.04 0.00 0.00 61.00 63.73 1xyn s PRO 113 Cb -0.10 -3.02 -0.00 0.00 0.04 0.00 0.00 34.50 31.42 1xyn s PRO 113 CO 0.16 -0.45 0.45 -1.54 0.04 0.00 0.00 177.00 175.66 1xyn s SER 114 N -0.05 1.08 0.00 6.66 1.04 0.21 -4.83 113.70 117.81 1xyn s SER 114 Ca 0.54 -1.55 0.13 0.00 0.48 0.00 0.00 55.95 55.56 1xyn s SER 114 Cb -0.45 0.66 0.60 0.00 0.10 0.00 0.00 66.02 66.93 1xyn s SER 114 CO 0.56 -1.28 1.41 2.30 0.98 0.00 0.00 173.24 177.20 1xyn n ILE 115 N -0.59 0.98 -0.41 -1.02 -5.35 -1.26 -1.47 119.36 110.24 1xyn n ILE 115 Ca 0.02 0.24 0.06 0.00 -0.27 0.00 0.00 62.75 62.80 1xyn n ILE 115 Cb 0.62 -1.02 0.17 0.00 -1.74 0.00 0.00 39.64 37.67 1xyn n ILE 115 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 1xyn n GLN 116 N -1.45 2.87 0.00 6.28 6.02 -1.26 -5.09 117.38 124.75 1xyn n GLN 116 Ca 0.04 -2.25 0.00 0.00 -0.01 0.00 0.00 57.00 54.78 1xyn n GLN 116 Cb 0.14 -1.42 0.00 0.00 1.02 0.00 0.00 30.24 29.99 1xyn n GLN 116 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1xyn n GLY 117 N 0.13 -1.71 3.68 1.08 0.00 -0.54 -4.87 105.19 102.96 1xyn n GLY 117 Ca 0.14 -2.00 -0.42 0.00 0.00 0.00 0.00 46.02 43.73 1xyn n GLY 117 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1xyn s THR 118 N 0.00 4.02 0.33 2.61 -4.23 -1.26 -0.62 115.64 116.49 1xyn s THR 118 Ca 0.00 1.33 -0.03 0.00 -1.18 0.00 0.00 61.69 61.81 1xyn s THR 118 Cb 0.00 -3.86 0.00 0.00 1.34 0.00 0.00 72.50 69.99 1xyn s THR 118 CO 0.00 -0.04 0.47 0.00 -0.54 0.00 0.00 174.62 174.51 1xyn s ALA 119 N 2.73 0.70 -0.14 3.99 0.00 0.12 -4.82 121.76 124.34 1xyn s ALA 119 Ca 0.60 -1.47 -0.01 0.00 0.00 0.00 0.00 51.96 51.07 1xyn s ALA 119 Cb -0.27 1.15 -0.02 0.00 0.00 0.00 0.00 23.12 23.98 1xyn s ALA 119 CO 0.22 -0.79 -0.10 0.99 0.00 0.00 0.00 175.76 176.09 1xyn s THR 120 N -3.14 3.34 0.27 0.00 2.01 -1.26 0.25 115.64 117.11 1xyn s THR 120 Ca 0.30 -0.56 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1xyn s THR 120 Cb -0.00 -2.43 0.02 0.00 0.01 0.00 0.00 72.50 70.09 1xyn s THR 120 CO 0.19 0.51 0.65 0.72 -0.69 0.00 0.00 174.62 176.01 1xyn s PHE 121 N 0.36 -0.07 0.35 4.92 -0.71 -0.61 -4.95 117.98 117.26 1xyn s PHE 121 Ca -0.08 -0.36 0.05 0.00 -1.04 0.00 0.00 56.93 55.50 1xyn s PHE 121 Cb -0.15 0.57 -0.01 0.00 -1.21 0.00 0.00 43.02 42.22 1xyn s PHE 121 CO 0.05 -1.16 0.50 -0.80 -1.34 0.00 0.00 175.22 172.47 1xyn s ASN 122 N -2.94 6.00 -0.05 1.98 0.01 -1.25 -0.73 114.94 117.96 1xyn s ASN 122 Ca 0.13 -0.03 0.04 0.00 -0.71 0.00 0.00 52.86 52.30 1xyn s ASN 122 Cb -0.04 -1.41 -0.00 0.00 0.41 0.00 0.00 41.25 40.20 1xyn s ASN 122 CO 0.07 -0.44 -0.18 -1.10 -1.51 0.00 0.00 177.10 173.94 1xyn s GLN 123 N -4.23 1.90 -0.31 -0.60 -0.21 0.95 -2.29 119.66 114.87 1xyn s GLN 123 Ca 0.44 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 55.15 1xyn s GLN 123 Cb -0.10 -1.63 0.04 0.00 1.00 0.00 0.00 33.01 32.33 1xyn s GLN 123 CO 0.32 0.24 0.03 0.71 -2.12 0.00 0.00 175.29 174.47 1xyn s TYR 124 N 0.07 3.24 -0.05 0.91 2.02 -0.86 -1.88 117.35 120.79 1xyn s TYR 124 Ca -0.05 -1.69 0.04 0.00 -0.37 0.00 0.00 57.07 55.00 1xyn s TYR 124 Cb -0.12 -2.15 -0.02 0.00 -0.40 0.00 0.00 41.96 39.26 1xyn s TYR 124 CO 0.03 -0.77 -0.18 0.42 -1.57 0.00 0.00 175.55 173.48 1xyn s ILE 125 N 1.31 2.76 -0.27 2.71 1.01 -0.61 -1.67 121.20 126.44 1xyn s ILE 125 Ca -0.04 -0.83 0.03 0.00 0.00 0.00 0.00 60.65 59.81 1xyn s ILE 125 Cb -0.19 -2.06 0.07 0.00 0.01 0.00 0.00 42.46 40.28 1xyn s ILE 125 CO -0.00 0.58 -0.07 -0.44 0.00 0.00 0.00 174.94 175.01 1xyn s SER 126 N -0.54 4.36 -0.34 3.58 0.01 -0.28 -0.79 113.70 119.70 1xyn s SER 126 Ca 0.07 -1.48 -0.11 0.00 1.31 0.00 0.00 55.95 55.74 1xyn s SER 126 Cb -0.11 -1.46 -0.01 0.00 0.21 0.00 0.00 66.02 64.65 1xyn s SER 126 CO 0.01 -0.24 0.20 -0.69 0.41 0.00 0.00 173.24 172.94 1xyn s VAL 127 N 1.15 4.91 0.19 3.43 1.01 -0.64 -0.53 120.40 129.93 1xyn s VAL 127 Ca -0.05 -0.41 -0.32 0.00 0.00 0.00 0.00 61.98 61.21 1xyn s VAL 127 Cb -0.20 -3.56 -0.12 0.00 0.00 0.00 0.00 36.38 32.51 1xyn s VAL 127 CO -0.06 -0.03 1.74 -0.60 0.00 0.00 0.00 175.10 176.15 1xyn s ARG 128 N 1.65 4.13 0.48 2.72 3.52 -0.28 -1.65 118.95 129.53 1xyn s ARG 128 Ca 0.05 2.60 0.28 0.00 -0.13 0.00 0.00 55.73 58.52 1xyn s ARG 128 Cb -0.18 -3.17 0.90 0.00 -1.56 0.00 0.00 34.95 30.95 1xyn s ARG 128 CO 0.08 -0.76 1.81 -0.91 -0.81 0.00 0.00 175.30 174.71 1xyn h ASN 129 N 7.12 0.00 -3.98 -2.12 2.35 -1.17 -3.36 115.58 114.42 1xyn h ASN 129 Ca -0.44 0.00 -0.63 0.00 -0.55 0.00 0.00 56.30 54.69 1xyn h ASN 129 Cb 1.20 0.00 -0.41 0.00 0.05 0.00 0.00 38.32 39.17 1xyn h ASN 129 CO 0.95 0.06 -0.67 -0.44 -1.65 0.00 0.00 177.43 175.68 1xyn s SER 130 N -5.98 4.04 0.30 5.81 0.01 -1.26 -5.04 113.70 111.59 1xyn s SER 130 Ca 0.03 -2.88 -0.28 0.00 1.31 0.00 0.00 55.95 54.13 1xyn s SER 130 Cb 0.08 -1.39 -0.14 0.00 0.21 0.00 0.00 66.02 64.79 1xyn s SER 130 CO 0.61 -0.24 1.09 -2.65 0.41 0.00 0.00 173.24 172.46 1xyn n PRO 131 N 3.25 1.58 -3.96 12.44 -0.02 -1.26 -4.99 135.00 142.04 1xyn n PRO 131 Ca 0.07 0.55 -0.09 0.00 -2.02 0.00 0.00 63.50 62.01 1xyn n PRO 131 Cb 0.33 -1.99 -0.07 0.00 -0.02 0.00 0.00 33.50 31.75 1xyn n PRO 131 CO 0.00 0.00 0.00 -0.98 1.98 0.00 0.00 175.50 176.50 1xyn s ARG 132 N -1.63 1.04 0.00 -0.52 1.70 0.58 -4.99 118.95 115.14 1xyn s ARG 132 Ca 0.58 -1.16 0.00 0.00 -0.47 0.00 0.00 55.73 54.68 1xyn s ARG 132 Cb -0.66 0.35 0.00 0.00 -0.57 0.00 0.00 34.95 34.07 1xyn s ARG 132 CO 0.61 -0.36 0.73 0.25 -1.08 0.00 0.00 175.30 175.45 1xyn n THR 133 N -0.16 0.49 -3.76 4.99 -2.24 -1.26 -4.13 114.28 108.22 1xyn n THR 133 Ca -0.09 -0.71 -0.13 0.00 -2.27 0.00 0.00 64.05 60.85 1xyn n THR 133 Cb 0.63 0.78 -0.13 0.00 -2.10 0.00 0.00 70.33 69.52 1xyn n THR 133 CO 0.00 0.00 0.00 -0.44 -0.57 0.00 0.00 175.07 174.06 1xyn s SER 134 N -0.49 -0.24 0.00 3.42 0.01 -1.26 -2.92 113.70 112.21 1xyn s SER 134 Ca 0.00 0.48 0.00 0.00 1.31 0.00 0.00 55.95 57.74 1xyn s SER 134 Cb 0.00 0.43 0.00 0.00 0.21 0.00 0.00 66.02 66.66 1xyn s SER 134 CO 0.00 -0.12 0.00 0.61 0.41 0.00 0.00 173.24 174.14 1xyn n GLY 135 N 3.64 -1.22 3.24 3.44 0.00 -0.33 -4.97 105.19 108.98 1xyn n GLY 135 Ca -0.19 -1.20 -0.26 0.00 0.00 0.00 0.00 46.02 44.36 1xyn n GLY 135 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xyn s THR 136 N -3.00 1.66 -0.31 2.61 2.01 -1.26 -1.28 115.64 116.07 1xyn s THR 136 Ca 0.00 -1.05 0.03 0.00 0.31 0.00 0.00 61.69 60.97 1xyn s THR 136 Cb 0.00 -1.41 0.09 0.00 0.01 0.00 0.00 72.50 71.19 1xyn s THR 136 CO 0.00 0.33 0.01 -0.69 -0.69 0.00 0.00 174.62 173.58 1xyn s VAL 137 N -0.65 2.00 -1.00 3.82 1.01 0.31 -4.84 120.40 121.04 1xyn s VAL 137 Ca 0.08 -1.97 -0.23 0.00 0.00 0.00 0.00 61.98 59.85 1xyn s VAL 137 Cb -0.08 -2.38 -0.01 0.00 0.00 0.00 0.00 36.38 33.90 1xyn s VAL 137 CO 0.01 -0.45 1.76 -0.89 0.00 0.00 0.00 175.10 175.53 1xyn s THR 138 N 1.08 3.67 0.51 3.92 2.01 -1.26 -1.89 115.64 123.68 1xyn s THR 138 Ca 0.05 -0.67 0.26 0.00 0.31 0.00 0.00 61.69 61.64 1xyn s THR 138 Cb -0.19 -4.51 0.42 0.00 0.01 0.00 0.00 72.50 68.23 1xyn s THR 138 CO -0.09 -1.36 1.94 -0.37 -0.69 0.00 0.00 174.62 174.04 1xyn h VAL 139 N 6.87 0.68 -0.67 3.82 -1.51 -1.82 -2.49 116.25 121.13 1xyn h VAL 139 Ca 0.17 -0.03 -0.05 0.00 -1.23 0.00 0.00 66.70 65.57 1xyn h VAL 139 Cb 0.99 0.59 -0.03 0.00 -2.13 0.00 0.00 31.29 30.71 1xyn h VAL 139 CO 1.30 0.01 0.23 1.56 -1.23 0.00 0.00 177.57 179.45 1xyn h GLN 140 N 0.08 1.01 -0.60 5.19 1.08 -1.89 -1.74 115.11 118.25 1xyn h GLN 140 Ca 0.34 -0.19 0.07 0.00 -1.45 0.00 0.00 58.65 57.42 1xyn h GLN 140 Cb 1.23 -0.16 -0.04 0.00 -0.05 0.00 0.00 27.48 28.47 1xyn h GLN 140 CO -0.03 0.85 0.40 -0.91 -0.95 0.00 0.00 178.83 178.18 1xyn h ASN 141 N 0.98 0.47 0.10 1.46 2.35 -1.84 0.17 115.58 119.26 1xyn h ASN 141 Ca 0.22 0.00 -0.29 0.00 -0.55 0.00 0.00 56.30 55.68 1xyn h ASN 141 Cb 0.25 -0.10 0.03 0.00 0.05 0.00 0.00 38.32 38.55 1xyn h ASN 141 CO -0.01 0.30 -1.20 0.45 -1.65 0.00 0.00 177.43 175.32 1xyn h HIS 142 N 0.53 1.02 -0.44 1.19 3.86 -1.52 -2.22 115.15 117.58 1xyn h HIS 142 Ca 0.26 -0.62 -0.08 0.00 -1.16 0.00 0.00 60.37 58.77 1xyn h HIS 142 Cb 0.35 -0.09 -0.02 0.00 1.06 0.00 0.00 27.41 28.71 1xyn h HIS 142 CO -0.00 1.46 -0.07 0.74 0.86 0.00 0.00 177.93 180.92 1xyn h PHE 143 N 0.31 0.81 -0.03 2.45 0.04 -0.53 0.68 116.94 120.66 1xyn h PHE 143 Ca -0.17 -0.13 -0.01 0.00 2.80 0.00 0.00 57.97 60.46 1xyn h PHE 143 Cb 1.87 -0.22 -0.00 0.00 2.20 0.00 0.00 35.95 39.80 1xyn h PHE 143 CO 0.11 0.79 -0.01 -0.91 -0.60 0.00 0.00 178.31 177.69 1xyn h ASN 144 N 0.69 0.07 -0.90 2.17 2.35 -0.74 -1.44 115.58 117.78 1xyn h ASN 144 Ca 0.13 -0.38 0.01 0.00 -0.55 0.00 0.00 56.30 55.50 1xyn h ASN 144 Cb 0.52 -0.02 -0.04 0.00 0.05 0.00 0.00 38.32 38.83 1xyn h ASN 144 CO 0.03 0.44 0.58 0.00 -1.65 0.00 0.00 177.43 176.83 1xyn h ALA 145 N 0.63 1.33 -0.14 -0.83 0.00 -1.24 -0.75 119.26 118.26 1xyn h ALA 145 Ca 0.01 -0.07 -0.02 0.00 0.00 0.00 0.00 54.91 54.83 1xyn h ALA 145 Cb 0.41 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1xyn h ALA 145 CO 0.00 0.61 0.02 -1.49 0.00 0.00 0.00 179.25 178.39 1xyn h TRP 146 N 1.22 0.26 -0.85 0.00 6.55 -0.82 -2.86 115.95 119.46 1xyn h TRP 146 Ca 0.33 -0.04 0.01 0.00 0.95 0.00 0.00 58.89 60.14 1xyn h TRP 146 Cb -0.12 -0.07 -0.04 0.00 -0.86 0.00 0.00 29.16 28.07 1xyn h TRP 146 CO 0.00 0.44 0.56 0.00 -1.05 0.00 0.00 178.44 178.39 1xyn h ALA 147 N 0.79 1.08 0.00 1.49 0.00 -0.83 0.32 119.26 122.11 1xyn h ALA 147 Ca 0.04 -0.06 -0.01 0.00 0.00 0.00 0.00 54.91 54.88 1xyn h ALA 147 Cb 0.32 -0.35 -0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xyn h ALA 147 CO 0.00 0.49 -0.06 0.66 0.00 0.00 0.00 179.25 180.34 1xyn h SER 148 N 1.16 0.00 -0.62 0.00 4.64 -1.06 -1.58 113.55 116.08 1xyn h SER 148 Ca 0.31 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.63 1xyn h SER 148 Cb -0.13 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 61.96 1xyn h SER 148 CO -0.07 0.06 0.00 0.18 -0.87 0.00 0.00 176.83 176.13 1xyn n LEU 149 N -3.33 3.73 0.00 5.97 4.77 -0.88 -4.93 117.00 122.33 1xyn n LEU 149 Ca -0.01 -1.80 0.00 0.00 -0.03 0.00 0.00 56.01 54.17 1xyn n LEU 149 Cb 0.23 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 40.90 1xyn n LEU 149 CO 0.27 0.90 0.00 0.61 -1.33 0.00 0.00 177.39 177.84 1xyn n GLY 150 N 1.61 0.75 3.47 -0.72 0.00 -0.59 -5.00 105.19 104.71 1xyn n GLY 150 Ca 0.23 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.82 1xyn n GLY 150 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1xyn s LEU 151 N 0.00 4.70 -0.13 0.99 1.43 0.11 -4.97 118.68 120.82 1xyn s LEU 151 Ca 0.00 -1.88 -0.27 0.00 -1.03 0.00 0.00 54.13 50.95 1xyn s LEU 151 Cb 0.00 -2.44 -0.02 0.00 0.03 0.00 0.00 46.19 43.77 1xyn s LEU 151 CO 0.00 -1.17 0.91 -2.28 0.23 0.00 0.00 176.35 174.04 1xyn s HIS 152 N 3.22 3.48 0.21 0.29 2.46 -1.26 -2.92 115.29 120.76 1xyn s HIS 152 Ca 0.35 1.43 0.05 0.00 0.47 0.00 0.00 55.06 57.36 1xyn s HIS 152 Cb -0.04 -3.08 -0.03 0.00 -0.13 0.00 0.00 32.58 29.29 1xyn s HIS 152 CO -0.09 -0.20 0.25 -0.51 -2.47 0.00 0.00 174.74 171.72 1xyn s LEU 153 N 1.95 4.07 0.00 8.88 1.43 -1.26 -4.83 118.68 128.92 1xyn s LEU 153 Ca 0.43 -0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1xyn s LEU 153 Cb -0.18 -2.63 0.00 0.00 0.03 0.00 0.00 46.19 43.41 1xyn s LEU 153 CO 0.16 -0.00 0.00 0.61 0.23 0.00 0.00 176.35 177.34 1xyn n GLY 154 N -0.92 3.87 3.73 -3.19 0.00 -1.26 -4.74 105.19 102.68 1xyn n GLY 154 Ca -0.08 -1.68 -0.41 0.00 0.00 0.00 0.00 46.02 43.84 1xyn n GLY 154 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1xyn s GLN 155 N 4.75 4.45 0.12 1.61 -0.21 0.11 -4.74 119.66 125.74 1xyn s GLN 155 Ca 0.00 1.93 -0.31 0.00 0.02 0.00 0.00 55.36 57.00 1xyn s GLN 155 Cb 0.00 -3.23 -0.08 0.00 1.00 0.00 0.00 33.01 30.70 1xyn s GLN 155 CO 0.00 -0.16 1.38 -1.64 -2.12 0.00 0.00 175.29 172.75 1xyn s MET 156 N -0.06 4.33 0.00 2.91 -1.94 -1.26 -0.79 119.30 122.49 1xyn s MET 156 Ca 0.55 2.07 0.00 0.00 -1.71 0.00 0.00 55.69 56.60 1xyn s MET 156 Cb -0.34 -3.24 0.00 0.00 2.01 0.00 0.00 34.83 33.26 1xyn s MET 156 CO 0.36 -0.42 0.00 -1.71 -0.01 0.00 0.00 175.02 173.24 1xyn n ASN 157 N 3.84 0.00 -4.75 3.03 2.85 -1.00 -4.58 115.26 114.65 1xyn n ASN 157 Ca 0.11 0.00 -0.33 0.00 -0.11 0.00 0.00 54.58 54.25 1xyn n ASN 157 Cb 0.42 0.00 0.08 0.00 1.24 0.00 0.00 39.78 41.52 1xyn n ASN 157 CO 0.00 0.00 0.00 -0.72 -2.11 0.00 0.00 177.26 174.43 1xyn s TYR 158 N 3.00 2.35 -0.18 1.20 -0.85 -1.09 -0.51 117.35 121.27 1xyn s TYR 158 Ca 0.00 1.59 -0.04 0.00 -0.52 0.00 0.00 57.07 58.10 1xyn s TYR 158 Cb 0.00 -3.27 0.09 0.00 0.38 0.00 0.00 41.96 39.16 1xyn s TYR 158 CO 0.00 -2.08 0.25 -1.14 -1.52 0.00 0.00 175.55 171.06 1xyn s GLN 159 N -4.16 0.19 0.34 -3.49 0.74 -0.52 -2.36 119.66 110.40 1xyn s GLN 159 Ca 0.69 0.44 0.04 0.00 0.05 0.00 0.00 55.36 56.57 1xyn s GLN 159 Cb -0.23 -0.69 -0.06 0.00 1.10 0.00 0.00 33.01 33.13 1xyn s GLN 159 CO 0.45 -0.52 0.07 0.14 -0.55 0.00 0.00 175.29 174.88 1xyn s VAL 160 N 2.39 1.07 -0.32 1.34 -7.23 0.41 -1.15 120.40 116.90 1xyn s VAL 160 Ca 0.06 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.14 1xyn s VAL 160 Cb -0.14 -2.72 0.01 0.00 0.56 0.00 0.00 36.38 34.09 1xyn s VAL 160 CO -0.11 0.00 0.15 -0.69 -0.31 0.00 0.00 175.10 174.13 1xyn s VAL 161 N -3.31 4.41 0.19 1.32 1.01 -0.87 -0.16 120.40 122.99 1xyn s VAL 161 Ca 0.34 -0.62 0.08 0.00 0.00 0.00 0.00 61.98 61.78 1xyn s VAL 161 Cb 0.08 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 33.10 1xyn s VAL 161 CO 0.15 -0.01 -0.15 0.00 0.00 0.00 0.00 175.10 175.08 1xyn s ALA 162 N 1.56 1.97 -0.09 5.51 0.00 0.02 -2.82 121.76 127.92 1xyn s ALA 162 Ca 0.03 -1.59 0.02 0.00 0.00 0.00 0.00 51.96 50.43 1xyn s ALA 162 Cb -0.18 -0.11 -0.02 0.00 0.00 0.00 0.00 23.12 22.82 1xyn s ALA 162 CO 0.05 0.11 -0.17 0.08 0.00 0.00 0.00 175.76 175.84 1xyn s VAL 163 N -2.67 2.77 0.00 0.00 1.01 -0.14 -1.82 120.40 119.56 1xyn s VAL 163 Ca 0.20 -0.79 0.02 0.00 0.00 0.00 0.00 61.98 61.41 1xyn s VAL 163 Cb -0.02 -2.11 -0.01 0.00 0.00 0.00 0.00 36.38 34.24 1xyn s VAL 163 CO 0.06 0.55 -0.08 -0.70 0.00 0.00 0.00 175.10 174.94 1xyn s GLU 164 N -0.04 0.62 0.23 2.72 2.12 -0.78 -2.19 118.70 121.39 1xyn s GLU 164 Ca -0.04 -0.37 -0.21 0.00 0.36 0.00 0.00 54.97 54.70 1xyn s GLU 164 Cb -0.14 -0.57 0.06 0.00 0.26 0.00 0.00 34.13 33.73 1xyn s GLU 164 CO 0.04 0.15 0.92 0.20 -0.54 0.00 0.00 175.26 176.04 1xyn s GLY 165 N -0.44 0.05 -0.19 -1.50 0.00 -1.15 -1.10 107.32 103.00 1xyn s GLY 165 Ca 0.01 -0.29 -0.35 0.00 0.00 0.00 0.00 44.72 44.08 1xyn s GLY 165 CO -0.00 0.77 1.31 0.66 0.00 0.00 0.00 173.10 175.84 1xyn s TRP 166 N -2.73 -0.06 -0.70 1.90 -2.14 -0.98 -2.96 118.94 111.27 1xyn s TRP 166 Ca 0.16 0.02 0.00 0.00 2.66 0.00 0.00 56.10 58.94 1xyn s TRP 166 Cb -0.03 0.51 0.00 0.00 -3.10 0.00 0.00 33.47 30.85 1xyn s TRP 166 CO 0.06 -0.12 0.00 0.41 -2.66 0.00 0.00 176.95 174.64 1xyn n GLY 167 N -0.18 0.86 0.00 3.67 0.00 -0.24 -1.07 105.19 108.23 1xyn n GLY 167 Ca -0.00 -0.41 0.00 0.00 0.00 0.00 0.00 46.02 45.60 1xyn n GLY 167 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1xyn n GLY 168 N -1.61 -0.60 3.48 -0.02 0.00 -0.22 -3.56 105.19 102.67 1xyn n GLY 168 Ca -0.07 -0.60 -0.23 0.00 0.00 0.00 0.00 46.02 45.12 1xyn n GLY 168 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyn s SER 169 N -4.00 2.98 0.00 1.61 1.04 -1.21 -1.16 113.70 112.96 1xyn s SER 169 Ca 0.00 -1.28 0.00 0.00 0.48 0.00 0.00 55.95 55.15 1xyn s SER 169 Cb 0.00 -0.21 0.00 0.00 0.10 0.00 0.00 66.02 65.91 1xyn s SER 169 CO 0.00 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 174.41 1xyn n GLY 170 N -0.71 -1.89 3.33 7.32 0.00 -0.87 -1.04 105.19 111.33 1xyn n GLY 170 Ca -0.04 -1.15 -0.11 0.00 0.00 0.00 0.00 46.02 44.72 1xyn n GLY 170 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1xyn s SER 171 N -1.21 -0.29 -0.24 1.61 1.04 -0.24 -1.28 113.70 113.09 1xyn s SER 171 Ca 0.00 -0.19 -0.19 0.00 0.48 0.00 0.00 55.95 56.05 1xyn s SER 171 Cb 0.00 0.48 0.07 0.00 0.10 0.00 0.00 66.02 66.66 1xyn s SER 171 CO 0.00 -0.82 0.62 0.00 0.98 0.00 0.00 173.24 174.02 1xyn s ALA 172 N -3.43 -1.58 -0.25 5.32 0.00 0.23 -0.18 121.76 121.87 1xyn s ALA 172 Ca 0.01 1.89 -0.01 0.00 0.00 0.00 0.00 51.96 53.85 1xyn s ALA 172 Cb 0.01 -1.11 0.08 0.00 0.00 0.00 0.00 23.12 22.10 1xyn s ALA 172 CO -0.09 -0.31 0.04 -1.12 0.00 0.00 0.00 175.76 174.28 1xyn s SER 173 N 0.73 3.58 0.04 0.00 0.01 -0.98 -0.63 113.70 116.44 1xyn s SER 173 Ca -0.03 -1.24 0.08 0.00 1.31 0.00 0.00 55.95 56.07 1xyn s SER 173 Cb -0.05 -0.84 -0.03 0.00 0.21 0.00 0.00 66.02 65.32 1xyn s SER 173 CO -0.05 -0.34 -0.24 -1.10 0.41 0.00 0.00 173.24 171.92 1xyn s GLN 174 N 1.65 1.68 -0.18 12.44 -1.52 -0.41 -1.21 119.66 132.12 1xyn s GLN 174 Ca 0.02 -1.03 -0.07 0.00 -1.95 0.00 0.00 55.36 52.33 1xyn s GLN 174 Cb -0.18 -1.81 -0.04 0.00 -0.22 0.00 0.00 33.01 30.76 1xyn s GLN 174 CO -0.14 0.47 0.05 -1.12 -0.25 0.00 0.00 175.29 174.30 1xyn s SER 175 N -1.15 5.57 -0.03 5.90 0.01 0.50 -1.44 113.70 123.07 1xyn s SER 175 Ca 0.10 0.08 0.06 0.00 1.31 0.00 0.00 55.95 57.50 1xyn s SER 175 Cb -0.10 -1.94 -0.01 0.00 0.21 0.00 0.00 66.02 64.18 1xyn s SER 175 CO 0.02 0.19 -0.22 -0.69 0.41 0.00 0.00 173.24 172.94 1xyn s VAL 176 N 0.30 1.76 0.05 3.43 1.01 -0.53 -2.32 120.40 124.10 1xyn s VAL 176 Ca 0.03 -0.94 -0.28 0.00 0.00 0.00 0.00 61.98 60.79 1xyn s VAL 176 Cb -0.12 -1.47 0.10 0.00 0.00 0.00 0.00 36.38 34.88 1xyn s VAL 176 CO 0.00 0.50 1.16 -0.94 0.00 0.00 0.00 175.10 175.82 1xyn s SER 177 N -0.41 -0.10 0.00 3.32 1.04 -0.82 -4.58 113.70 112.15 1xyn s SER 177 Ca 0.05 -0.24 0.00 0.00 0.48 0.00 0.00 55.95 56.24 1xyn s SER 177 Cb -0.10 0.29 0.00 0.00 0.10 0.00 0.00 66.02 66.31 1xyn s SER 177 CO 0.00 -0.53 0.00 -0.46 0.98 0.00 0.00 173.24 173.23