#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ned s THR 2 N 0.00 -0.01 -0.03 1.09 2.01 -1.26 -0.45 115.64 116.99 1ned s THR 2 Ca 0.00 0.03 -0.02 0.00 0.31 0.00 0.00 61.69 62.01 1ned s THR 2 Cb 0.00 -0.57 0.01 0.00 0.01 0.00 0.00 72.50 71.95 1ned s THR 2 CO 0.00 0.01 0.07 -0.63 -0.69 0.00 0.00 174.62 173.38 1ned s ILE 3 N 0.53 -0.02 0.25 1.82 1.01 -0.27 -2.26 121.20 122.27 1ned s ILE 3 Ca -0.03 0.06 0.07 0.00 0.00 0.00 0.00 60.65 60.76 1ned s ILE 3 Cb -0.04 -0.12 -0.05 0.00 0.01 0.00 0.00 42.46 42.26 1ned s ILE 3 CO -0.03 0.03 -0.09 0.68 0.00 0.00 0.00 174.94 175.52 1ned s VAL 4 N 0.37 1.71 -0.02 2.92 -7.23 0.89 -1.37 120.40 117.68 1ned s VAL 4 Ca -0.03 -2.17 -0.14 0.00 -1.81 0.00 0.00 61.98 57.84 1ned s VAL 4 Cb -0.04 -2.31 0.02 0.00 0.56 0.00 0.00 36.38 34.61 1ned s VAL 4 CO -0.01 -0.40 0.29 -0.55 -0.31 0.00 0.00 175.10 174.11 1ned s SER 5 N -3.40 -0.17 0.09 4.85 0.15 0.22 -0.71 113.70 114.73 1ned s SER 5 Ca 0.27 0.07 -0.11 0.00 0.70 0.00 0.00 55.95 56.89 1ned s SER 5 Cb 0.02 0.31 0.01 0.00 -1.71 0.00 0.00 66.02 64.65 1ned s SER 5 CO 0.10 -0.42 0.25 -0.69 1.20 0.00 0.00 173.24 173.68 1ned s VAL 6 N -1.26 0.12 -0.12 4.45 1.01 -0.75 -1.99 120.40 121.85 1ned s VAL 6 Ca -0.13 -0.99 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ned s VAL 6 Cb -0.05 -1.26 0.05 0.00 0.00 0.00 0.00 36.38 35.12 1ned s VAL 6 CO 0.04 -0.55 0.10 -0.60 0.00 0.00 0.00 175.10 174.09 1ned s ARG 7 N -3.72 0.03 -0.06 2.72 3.52 -1.26 -1.32 118.95 118.86 1ned s ARG 7 Ca 0.03 0.18 -0.01 0.00 -0.13 0.00 0.00 55.73 55.81 1ned s ARG 7 Cb 0.04 -1.14 0.03 0.00 -1.56 0.00 0.00 34.95 32.31 1ned s ARG 7 CO -0.11 -0.51 -0.01 1.03 -0.81 0.00 0.00 175.30 174.89 1ned s ARG 8 N 2.19 0.61 6.52 5.12 1.81 -0.13 -5.00 118.95 130.07 1ned s ARG 8 Ca 0.04 0.06 0.00 0.00 -1.72 0.00 0.00 55.73 54.10 1ned s ARG 8 Cb -0.14 -0.86 0.00 0.00 -0.45 0.00 0.00 34.95 33.49 1ned s ARG 8 CO -0.07 -0.23 0.00 0.09 -0.68 0.00 0.00 175.30 174.41 1ned n ASN 9 N 4.75 0.00 -2.67 0.23 3.02 -1.26 -1.71 115.26 117.62 1ned n ASN 9 Ca -0.14 0.00 -0.37 0.00 -0.03 0.00 0.00 54.58 54.04 1ned n ASN 9 Cb 0.50 0.00 0.05 0.00 -0.61 0.00 0.00 39.78 39.72 1ned n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1ned n GLY 10 N 0.00 5.71 3.04 7.41 0.00 -1.26 -4.90 105.19 115.19 1ned n GLY 10 Ca 0.00 -2.47 -0.13 0.00 0.00 0.00 0.00 46.02 43.42 1ned n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1ned s HIS 11 N -3.94 -0.38 -0.06 1.61 3.76 -0.69 -1.64 115.29 113.95 1ned s HIS 11 Ca 0.55 0.88 0.06 0.00 -0.15 0.00 0.00 55.06 56.40 1ned s HIS 11 Cb 0.45 0.02 -0.01 0.00 1.11 0.00 0.00 32.58 34.15 1ned s HIS 11 CO -0.26 -0.29 -0.24 0.54 -0.85 0.00 0.00 174.74 173.64 1ned s VAL 12 N 1.76 2.00 0.06 -0.90 0.11 -0.85 -0.95 120.40 121.62 1ned s VAL 12 Ca -0.05 -1.03 0.04 0.00 -2.93 0.00 0.00 61.98 58.01 1ned s VAL 12 Cb -0.11 -1.70 -0.03 0.00 -1.53 0.00 0.00 36.38 33.02 1ned s VAL 12 CO -0.09 0.56 -0.12 -0.69 -3.33 0.00 0.00 175.10 171.43 1ned s VAL 13 N -0.10 0.88 -0.07 2.04 1.01 -0.43 -1.39 120.40 122.34 1ned s VAL 13 Ca -0.05 -1.18 0.02 0.00 0.00 0.00 0.00 61.98 60.77 1ned s VAL 13 Cb -0.14 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.38 1ned s VAL 13 CO 0.04 -0.26 -0.10 -0.63 0.00 0.00 0.00 175.10 174.15 1ned s ILE 14 N -1.26 0.98 -0.07 2.22 1.01 -0.38 -1.81 121.20 121.89 1ned s ILE 14 Ca -0.05 -0.37 -0.04 0.00 0.00 0.00 0.00 60.65 60.19 1ned s ILE 14 Cb -0.10 -0.93 0.03 0.00 0.01 0.00 0.00 42.46 41.48 1ned s ILE 14 CO 0.01 0.33 0.16 0.00 0.00 0.00 0.00 174.94 175.45 1ned s ALA 15 N 0.87 -0.34 0.19 9.38 0.00 0.11 -1.34 121.76 130.62 1ned s ALA 15 Ca -0.11 0.68 0.02 0.00 0.00 0.00 0.00 51.96 52.54 1ned s ALA 15 Cb -0.15 -0.44 -0.05 0.00 0.00 0.00 0.00 23.12 22.48 1ned s ALA 15 CO 0.01 -0.14 0.03 0.20 0.00 0.00 0.00 175.76 175.86 1ned s GLY 16 N 0.93 1.34 0.00 0.00 0.00 -0.82 -0.07 107.32 108.69 1ned s GLY 16 Ca -0.07 -1.65 0.00 0.00 0.00 0.00 0.00 44.72 43.00 1ned s GLY 16 CO -0.05 -1.54 0.00 2.09 0.00 0.00 0.00 173.10 173.61 1ned n ASP 17 N -0.29 0.00 -1.53 1.64 5.75 -0.96 -1.39 116.55 119.78 1ned n ASP 17 Ca -0.05 -0.13 0.02 0.00 -0.01 0.00 0.00 54.79 54.61 1ned n ASP 17 Cb 0.64 0.00 0.01 0.00 -1.03 0.00 0.00 41.12 40.74 1ned n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1ned n GLY 18 N 5.00 0.98 3.63 6.12 0.00 -1.13 -4.23 105.19 115.56 1ned n GLY 18 Ca 0.00 -0.70 -0.43 0.00 0.00 0.00 0.00 46.02 44.89 1ned n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1ned s GLN 19 N -0.27 4.03 -1.13 1.61 0.74 -1.26 0.49 119.66 123.88 1ned s GLN 19 Ca 0.27 0.89 -0.12 0.00 0.05 0.00 0.00 55.36 56.46 1ned s GLN 19 Cb 0.32 -3.73 0.22 0.00 1.10 0.00 0.00 33.01 30.92 1ned s GLN 19 CO -0.13 -0.79 1.23 0.00 -0.55 0.00 0.00 175.29 175.05 1ned s ALA 20 N 3.34 4.33 0.28 1.58 0.00 0.36 -4.51 121.76 127.14 1ned s ALA 20 Ca 0.40 -3.56 -0.15 0.00 0.00 0.00 0.00 51.96 48.64 1ned s ALA 20 Cb -0.13 -3.83 -0.09 0.00 0.00 0.00 0.00 23.12 19.08 1ned s ALA 20 CO 0.14 -2.49 0.70 -0.08 0.00 0.00 0.00 175.76 174.03 1ned s THR 21 N 0.21 4.69 -0.19 0.00 -1.32 -1.26 0.90 115.64 118.66 1ned s THR 21 Ca 0.35 0.96 -0.06 0.00 -1.21 0.00 0.00 61.69 61.73 1ned s THR 21 Cb -0.07 -3.67 0.09 0.00 -1.51 0.00 0.00 72.50 67.35 1ned s THR 21 CO -0.05 -0.07 0.40 -0.22 -2.21 0.00 0.00 174.62 172.47 1ned s LEU 22 N -2.70 -0.61 0.00 9.08 0.20 0.97 -4.83 118.68 120.79 1ned s LEU 22 Ca 0.50 0.90 0.00 0.00 0.69 0.00 0.00 54.13 56.22 1ned s LEU 22 Cb -0.12 1.27 0.00 0.00 -0.43 0.00 0.00 46.19 46.91 1ned s LEU 22 CO 0.19 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 1ned n GLY 23 N 5.39 0.91 0.73 7.98 0.00 -1.26 -0.34 105.19 118.60 1ned n GLY 23 Ca -0.08 0.58 -0.04 0.00 0.00 0.00 0.00 46.02 46.49 1ned n GLY 23 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ned n ASN 24 N 2.18 -0.52 -3.91 1.61 6.94 -1.26 -5.11 115.26 115.19 1ned n ASN 24 Ca 0.00 -1.37 -0.16 0.00 -0.02 0.00 0.00 54.58 53.03 1ned n ASN 24 Cb 0.00 0.16 -0.15 0.00 -2.36 0.00 0.00 39.78 37.43 1ned n ASN 24 CO 0.00 0.00 0.00 0.28 -1.03 0.00 0.00 177.26 176.51 1ned s THR 25 N 0.00 0.34 -0.32 5.53 -1.32 0.54 -5.11 115.64 115.30 1ned s THR 25 Ca 0.00 -0.12 -0.25 0.00 -1.21 0.00 0.00 61.69 60.11 1ned s THR 25 Cb 0.00 -0.33 0.01 0.00 -1.51 0.00 0.00 72.50 70.67 1ned s THR 25 CO 0.00 0.13 0.85 -0.69 -2.21 0.00 0.00 174.62 172.70 1ned s VAL 26 N 0.27 4.72 0.01 5.08 1.01 -1.26 -0.02 120.40 130.21 1ned s VAL 26 Ca -0.03 1.25 0.11 0.00 0.00 0.00 0.00 61.98 63.31 1ned s VAL 26 Cb -0.06 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.91 1ned s VAL 26 CO -0.00 -0.33 1.01 0.00 0.00 0.00 0.00 175.10 175.77 1ned h MET 27 N 8.18 0.00 -3.26 2.72 -0.00 0.19 -3.48 114.93 119.28 1ned h MET 27 Ca -0.24 0.00 -0.03 0.00 -0.00 0.00 0.00 59.70 59.44 1ned h MET 27 Cb 1.09 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.57 1ned h MET 27 CO 0.92 0.69 0.04 0.21 -0.00 0.00 0.00 176.91 178.77 1ned s LYS 28 N -2.71 1.27 -0.43 -0.10 2.20 -1.16 -5.02 119.74 113.79 1ned s LYS 28 Ca -0.01 -0.73 0.08 0.00 -0.36 0.00 0.00 55.97 54.95 1ned s LYS 28 Cb 0.09 0.52 0.33 0.00 -1.51 0.00 0.00 37.83 37.26 1ned s LYS 28 CO 0.82 -0.53 0.97 0.41 -0.36 0.00 0.00 175.35 176.65 1ned n GLY 29 N -0.31 1.74 0.86 5.54 0.00 -1.24 0.13 105.19 111.90 1ned n GLY 29 Ca -0.13 -0.63 -0.04 0.00 0.00 0.00 0.00 46.02 45.22 1ned n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1ned n ASN 30 N 0.34 -0.60 -4.73 1.61 0.23 0.18 -4.71 115.26 107.58 1ned n ASN 30 Ca 0.13 -1.19 -0.41 0.00 -0.53 0.00 0.00 54.58 52.58 1ned n ASN 30 Cb 0.68 0.19 -0.04 0.00 -2.08 0.00 0.00 39.78 38.53 1ned n ASN 30 CO 0.00 0.00 0.00 0.68 -0.93 0.00 0.00 177.26 177.01 1ned s VAL 31 N 0.00 3.92 -0.67 3.53 -7.23 -0.85 -4.94 120.40 114.16 1ned s VAL 31 Ca 0.00 1.58 -0.25 0.00 -1.81 0.00 0.00 61.98 61.50 1ned s VAL 31 Cb 0.01 -4.01 0.05 0.00 0.56 0.00 0.00 36.38 32.99 1ned s VAL 31 CO -0.00 0.23 1.12 -0.54 -0.31 0.00 0.00 175.10 175.60 1ned s LYS 32 N -0.00 3.21 0.22 4.82 3.01 -1.26 -4.14 119.74 125.60 1ned s LYS 32 Ca 0.52 -0.40 0.23 0.00 -1.01 0.00 0.00 55.97 55.31 1ned s LYS 32 Cb -0.29 -4.16 0.24 0.00 -1.01 0.00 0.00 37.83 32.60 1ned s LYS 32 CO 0.34 -1.91 1.30 0.87 0.51 0.00 0.00 175.35 176.46 1ned h LYS 33 N 9.74 0.00 -6.07 1.68 1.57 -1.90 -3.46 116.57 118.12 1ned h LYS 33 Ca -0.28 0.00 -0.68 0.00 -1.87 0.00 0.00 60.65 57.82 1ned h LYS 33 Cb 1.06 0.00 -0.19 0.00 0.08 0.00 0.00 32.23 33.18 1ned h LYS 33 CO 1.21 0.00 -0.69 0.08 -0.57 0.00 0.00 179.45 179.48 1ned s VAL 34 N -3.25 3.71 0.39 0.50 1.01 -1.26 -1.53 120.40 119.97 1ned s VAL 34 Ca 0.04 -0.47 -0.14 0.00 0.00 0.00 0.00 61.98 61.41 1ned s VAL 34 Cb 0.10 -2.53 0.05 0.00 0.00 0.00 0.00 36.38 34.01 1ned s VAL 34 CO 0.73 0.59 0.76 0.00 0.00 0.00 0.00 175.10 177.18 1ned s ARG 35 N -0.71 2.24 0.10 2.72 1.70 -0.26 -4.91 118.95 119.83 1ned s ARG 35 Ca 0.11 -1.52 0.10 0.00 -0.47 0.00 0.00 55.73 53.95 1ned s ARG 35 Cb -0.11 0.61 -0.04 0.00 -0.57 0.00 0.00 34.95 34.84 1ned s ARG 35 CO 0.02 -1.04 -0.27 -0.98 -1.08 0.00 0.00 175.30 171.95 1ned s ARG 36 N -2.27 1.52 0.07 3.89 1.70 -1.26 -1.01 118.95 121.59 1ned s ARG 36 Ca 0.18 -1.27 0.00 0.00 -0.47 0.00 0.00 55.73 54.17 1ned s ARG 36 Cb -0.04 -1.92 0.00 0.00 -0.57 0.00 0.00 34.95 32.42 1ned s ARG 36 CO 0.13 0.47 0.02 1.28 -1.08 0.00 0.00 175.30 176.11 1ned n LEU 37 N 1.19 0.00 -3.09 -1.89 4.77 0.56 -4.87 117.00 113.67 1ned n LEU 37 Ca -0.18 -0.40 -0.08 0.00 -0.03 0.00 0.00 56.01 55.32 1ned n LEU 37 Cb 0.53 0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.65 1ned n LEU 37 CO 0.23 -0.13 -0.06 0.00 -1.33 0.00 0.00 177.39 176.11 1ned n TYR 38 N -0.31 -0.45 -4.01 -1.77 4.19 -1.26 -1.95 117.16 111.60 1ned n TYR 38 Ca -0.02 0.15 -0.44 0.00 3.31 0.00 0.00 57.90 60.90 1ned n TYR 38 Cb 0.08 -0.67 0.02 0.00 0.49 0.00 0.00 39.34 39.27 1ned n TYR 38 CO 0.00 0.00 0.00 0.09 0.91 0.00 0.00 176.86 177.86 1ned n ASN 38 N -0.14 -4.34 -3.25 2.98 4.13 -1.26 -2.41 115.26 110.97 1ned n ASN 38 Ca -0.07 -1.25 -0.23 0.00 1.68 0.00 0.00 54.58 54.71 1ned n ASN 38 Cb 0.16 -1.89 0.04 0.00 -1.54 0.00 0.00 39.78 36.54 1ned n ASN 38 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1ned n ASP 39 N -2.23 -5.74 -0.02 6.41 9.92 -0.82 -4.86 116.55 119.21 1ned n ASP 39 Ca -0.12 -0.39 -0.02 0.00 -0.53 0.00 0.00 54.79 53.73 1ned n ASP 39 Cb 0.57 -4.62 -0.02 0.00 -0.64 0.00 0.00 41.12 36.41 1ned n ASP 39 CO 0.00 0.00 0.00 1.17 0.13 0.00 0.00 177.20 178.50 1ned n LYS 40 N -4.23 1.90 -5.13 -1.24 3.00 -1.01 -5.03 118.16 106.42 1ned n LYS 40 Ca -0.06 0.01 -0.30 0.00 -0.00 0.00 0.00 58.31 57.96 1ned n LYS 40 Cb 0.59 -1.08 -0.16 0.00 0.00 0.00 0.00 35.03 34.37 1ned n LYS 40 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.40 177.48 1ned s VAL 41 N -2.08 1.85 0.31 3.15 1.01 -1.25 -4.47 120.40 118.93 1ned s VAL 41 Ca -0.04 -0.96 0.08 0.00 0.00 0.00 0.00 61.98 61.07 1ned s VAL 41 Cb 0.01 -1.57 -0.03 0.00 0.00 0.00 0.00 36.38 34.79 1ned s VAL 41 CO 0.12 0.52 0.20 -0.63 0.00 0.00 0.00 175.10 175.31 1ned s ILE 42 N -0.12 3.54 0.19 2.22 1.01 0.11 -0.32 121.20 127.82 1ned s ILE 42 Ca -0.03 -1.53 -0.23 0.00 0.00 0.00 0.00 60.65 58.86 1ned s ILE 42 Cb -0.13 -3.13 0.05 0.00 0.01 0.00 0.00 42.46 39.27 1ned s ILE 42 CO 0.03 -0.23 0.68 0.00 0.00 0.00 0.00 174.94 175.42 1ned s ALA 43 N -2.31 -1.48 -0.04 9.38 0.00 -0.18 -1.23 121.76 125.90 1ned s ALA 43 Ca 0.37 0.21 -0.06 0.00 0.00 0.00 0.00 51.96 52.49 1ned s ALA 43 Cb -0.05 0.83 0.01 0.00 0.00 0.00 0.00 23.12 23.91 1ned s ALA 43 CO 0.24 -0.88 0.15 0.20 0.00 0.00 0.00 175.76 175.48 1ned s GLY 44 N -2.80 -0.07 0.17 0.00 0.00 0.23 -1.10 107.32 103.75 1ned s GLY 44 Ca 0.05 0.27 0.10 0.00 0.00 0.00 0.00 44.72 45.14 1ned s GLY 44 CO -0.05 0.18 -0.21 -0.11 0.00 0.00 0.00 173.10 172.92 1ned s PHE 45 N -0.39 1.99 -0.16 1.90 -0.12 -0.58 0.30 117.98 120.91 1ned s PHE 45 Ca -0.05 -0.42 0.01 0.00 -0.05 0.00 0.00 56.93 56.42 1ned s PHE 45 Cb -0.03 -1.00 0.01 0.00 -0.63 0.00 0.00 43.02 41.37 1ned s PHE 45 CO 0.01 0.38 -0.17 0.00 -0.05 0.00 0.00 175.22 175.38 1ned s ALA 46 N -1.84 2.41 0.00 1.99 0.00 0.46 -4.82 121.76 119.96 1ned s ALA 46 Ca 0.17 -1.10 0.00 0.00 0.00 0.00 0.00 51.96 51.03 1ned s ALA 46 Cb -0.07 -1.18 0.00 0.00 0.00 0.00 0.00 23.12 21.88 1ned s ALA 46 CO 0.08 -0.11 0.00 0.41 0.00 0.00 0.00 175.76 176.13 1ned n GLY 47 N 4.21 0.26 3.43 0.00 0.00 -1.26 -2.87 105.19 108.96 1ned n GLY 47 Ca -0.20 -1.49 -0.37 0.00 0.00 0.00 0.00 46.02 43.96 1ned n GLY 47 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1ned s GLY 48 N 0.00 1.79 0.00 -0.02 0.00 -1.26 -5.00 107.32 102.82 1ned s GLY 48 Ca 0.00 -1.22 0.00 0.00 0.00 0.00 0.00 44.72 43.50 1ned s GLY 48 CO 0.00 0.58 0.00 2.41 0.00 0.00 0.00 173.10 176.09 1ned n THR 49 N 4.93 0.00 0.00 0.90 -1.04 -1.26 -1.68 114.28 116.13 1ned n THR 49 Ca -0.16 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 61.85 1ned n THR 49 Cb 0.51 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 69.02 1ned n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ned n ALA 50 N -3.68 -0.17 -0.34 2.41 0.00 -1.26 -0.77 120.51 116.69 1ned n ALA 50 Ca 0.00 0.00 0.14 0.00 0.00 0.00 0.00 53.44 53.58 1ned n ALA 50 Cb 0.00 0.07 0.28 0.00 0.00 0.00 0.00 19.45 19.79 1ned n ALA 50 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1ned h ASP 51 N 0.00 -0.53 0.10 0.00 3.32 -1.69 0.48 116.42 118.09 1ned h ASP 51 Ca 0.00 0.28 0.01 0.00 0.02 0.00 0.00 57.03 57.34 1ned h ASP 51 Cb 0.00 0.50 -0.03 0.00 0.22 0.00 0.00 39.33 40.02 1ned h ASP 51 CO 0.00 -0.36 -0.38 0.00 -1.72 0.00 0.00 179.24 176.78 1ned h ALA 52 N 1.99 -0.88 -0.77 3.45 0.00 -1.45 0.19 119.26 121.79 1ned h ALA 52 Ca 0.59 -0.08 0.17 0.00 0.00 0.00 0.00 54.91 55.58 1ned h ALA 52 Cb 1.19 0.77 -0.11 0.00 0.00 0.00 0.00 17.79 19.64 1ned h ALA 52 CO -0.94 -0.97 0.25 0.74 0.00 0.00 0.00 179.25 178.33 1ned h PHE 53 N -0.55 0.40 -0.31 0.00 -1.00 0.20 0.51 116.94 116.19 1ned h PHE 53 Ca -0.01 0.04 0.03 0.00 2.81 0.00 0.00 57.97 60.85 1ned h PHE 53 Cb 0.55 -0.06 -0.03 0.00 3.61 0.00 0.00 35.95 40.02 1ned h PHE 53 CO -0.40 -0.04 0.12 1.15 -1.61 0.00 0.00 178.31 177.52 1ned h THR 54 N 0.33 0.93 0.17 -1.55 2.02 -0.02 -0.97 112.91 113.83 1ned h THR 54 Ca 0.44 -0.09 -0.01 0.00 0.77 0.00 0.00 66.41 67.53 1ned h THR 54 Cb 0.76 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.82 1ned h THR 54 CO -0.49 0.05 -0.08 -0.07 0.37 0.00 0.00 175.52 175.29 1ned h LEU 55 N 0.26 -0.19 -0.53 2.58 4.07 0.20 -1.43 115.31 120.25 1ned h LEU 55 Ca 0.13 -0.20 0.10 0.00 0.08 0.00 0.00 57.88 57.99 1ned h LEU 55 Cb 0.09 0.05 -0.08 0.00 1.08 0.00 0.00 40.66 41.80 1ned h LEU 55 CO -0.13 0.10 0.08 -0.26 -1.08 0.00 0.00 178.44 177.15 1ned h PHE 56 N -0.50 0.13 0.39 1.13 0.04 -0.02 0.51 116.94 118.62 1ned h PHE 56 Ca -0.02 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.76 1ned h PHE 56 Cb 0.38 0.03 -0.00 0.00 2.20 0.00 0.00 35.95 38.56 1ned h PHE 56 CO 0.01 -0.04 -0.23 0.93 -0.60 0.00 0.00 178.31 178.38 1ned h GLU 57 N 0.21 -0.56 -0.96 1.51 5.08 -1.16 0.40 114.58 119.10 1ned h GLU 57 Ca 0.27 0.04 0.26 0.00 -1.00 0.00 0.00 59.36 58.93 1ned h GLU 57 Cb 0.39 0.13 -0.13 0.00 0.50 0.00 0.00 28.75 29.64 1ned h GLU 57 CO -0.38 -0.38 0.48 1.25 -1.00 0.00 0.00 179.01 178.99 1ned h LEU 58 N -0.58 0.45 -0.33 1.33 5.85 -0.93 0.42 115.31 121.51 1ned h LEU 58 Ca -0.05 0.16 -0.07 0.00 0.84 0.00 0.00 57.88 58.77 1ned h LEU 58 Cb 0.47 0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.60 1ned h LEU 58 CO 0.06 -0.03 -0.05 0.15 -0.34 0.00 0.00 178.44 178.23 1ned h PHE 59 N 0.41 0.69 0.00 1.25 3.57 0.20 0.16 116.94 123.22 1ned h PHE 59 Ca 0.63 -0.14 -0.02 0.00 3.53 0.00 0.00 57.97 61.98 1ned h PHE 59 Cb 1.29 -0.17 -0.00 0.00 2.79 0.00 0.00 35.95 39.85 1ned h PHE 59 CO -0.08 0.77 -0.08 1.49 -2.23 0.00 0.00 178.31 178.18 1ned h GLU 60 N 0.41 0.00 0.12 1.11 4.81 0.39 0.27 114.58 121.69 1ned h GLU 60 Ca 0.09 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.31 1ned h GLU 60 Cb 0.53 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.91 1ned h GLU 60 CO 0.03 0.08 -0.06 -0.09 -0.73 0.00 0.00 179.01 178.24 1ned h ARG 61 N 0.00 -0.15 0.00 1.92 2.43 -0.03 -2.00 114.38 116.54 1ned h ARG 61 Ca -0.00 0.01 0.00 0.00 -0.81 0.00 0.00 59.98 59.18 1ned h ARG 61 Cb 0.39 0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.97 1ned h ARG 61 CO 0.01 0.33 0.00 0.87 -1.51 0.00 0.00 179.97 179.67 1ned h LYS 62 N -0.81 0.00 0.17 0.20 1.79 -0.29 -1.25 116.57 116.38 1ned h LYS 62 Ca -0.02 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.45 1ned h LYS 62 Cb 0.56 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.21 1ned h LYS 62 CO 0.03 0.00 -0.08 1.25 -1.08 0.00 0.00 179.45 179.57 1ned h LEU 63 N 0.00 -0.19 -1.44 2.94 5.85 -0.20 -3.21 115.31 119.06 1ned h LEU 63 Ca 0.00 0.01 0.12 0.00 0.84 0.00 0.00 57.88 58.84 1ned h LEU 63 Cb 0.02 0.05 -0.05 0.00 0.37 0.00 0.00 40.66 41.05 1ned h LEU 63 CO 0.00 0.04 0.51 1.05 -0.34 0.00 0.00 178.44 179.70 1ned h GLU 64 N -0.58 0.58 0.00 1.25 4.11 -1.15 -0.09 114.58 118.70 1ned h GLU 64 Ca -0.02 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.37 1ned h GLU 64 Cb 0.17 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.29 1ned h GLU 64 CO 0.04 0.38 0.00 -0.12 0.07 0.00 0.00 179.01 179.38 1ned n MET 65 N -4.50 0.34 -0.82 1.06 1.56 -0.49 -1.41 117.12 112.86 1ned n MET 65 Ca 0.14 0.00 -0.01 0.00 -0.27 0.00 0.00 57.70 57.56 1ned n MET 65 Cb 0.41 -1.19 -0.01 0.00 2.15 0.00 0.00 33.22 34.57 1ned n MET 65 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1ned n HIS 66 N -0.69 0.00 0.00 1.12 8.25 -0.08 -5.01 115.22 118.80 1ned n HIS 66 Ca 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.28 1ned n HIS 66 Cb 0.01 0.14 0.00 0.00 1.12 0.00 0.00 29.99 31.26 1ned n HIS 66 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1ned n GLN 67 N 0.10 0.00 -0.59 -0.41 1.13 -0.50 -2.85 117.38 114.27 1ned n GLN 67 Ca -0.05 0.00 -0.01 0.00 -1.94 0.00 0.00 57.00 55.00 1ned n GLN 67 Cb 0.74 0.00 -0.01 0.00 0.11 0.00 0.00 30.24 31.08 1ned n GLN 67 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1ned n GLY 74 N 0.00 0.88 3.56 1.08 0.00 -1.26 -4.41 105.19 105.05 1ned n GLY 74 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.57 1ned n GLY 74 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1ned s HIS 75 N 0.00 2.90 0.09 1.61 5.04 -1.13 -4.85 115.29 118.94 1ned s HIS 75 Ca 0.01 -1.70 -0.18 0.00 -1.54 0.00 0.00 55.06 51.65 1ned s HIS 75 Cb 0.01 -4.68 -0.04 0.00 0.04 0.00 0.00 32.58 27.90 1ned s HIS 75 CO -0.00 -1.74 1.07 -0.11 -2.34 0.00 0.00 174.74 171.62 1ned n LEU 76 N 7.95 -0.62 -0.11 8.88 7.94 -1.26 -1.48 117.00 138.30 1ned n LEU 76 Ca 0.47 1.21 -0.03 0.00 -1.11 0.00 0.00 56.01 56.55 1ned n LEU 76 Cb 0.46 -0.22 -0.03 0.00 0.53 0.00 0.00 43.42 44.16 1ned n LEU 76 CO 0.74 -0.93 0.46 0.52 -1.11 0.00 0.00 177.39 177.07 1ned n VAL 77 N -4.44 -0.18 0.01 1.96 0.31 -1.26 -0.95 118.33 113.78 1ned n VAL 77 Ca 0.01 1.64 -0.12 0.00 -0.01 0.00 0.00 64.34 65.86 1ned n VAL 77 Cb 0.15 -2.13 -0.06 0.00 -0.91 0.00 0.00 33.84 30.89 1ned n VAL 77 CO 0.00 0.00 0.00 0.50 -1.32 0.00 0.00 176.83 176.01 1ned h LYS 78 N 0.00 -0.48 -0.77 5.55 1.63 -1.68 0.22 116.57 121.04 1ned h LYS 78 Ca 0.04 0.03 0.14 0.00 -0.85 0.00 0.00 60.65 60.01 1ned h LYS 78 Cb 0.11 0.11 -0.14 0.00 -0.60 0.00 0.00 32.23 31.71 1ned h LYS 78 CO -0.25 -0.32 -0.30 0.00 -3.45 0.00 0.00 179.45 175.14 1ned h ALA 79 N 0.12 0.22 -0.07 5.00 0.00 -0.63 0.82 119.26 124.72 1ned h ALA 79 Ca 0.07 0.25 0.02 0.00 0.00 0.00 0.00 54.91 55.25 1ned h ALA 79 Cb 0.62 0.77 -0.02 0.00 0.00 0.00 0.00 17.79 19.16 1ned h ALA 79 CO -0.38 -0.56 -0.05 0.00 0.00 0.00 0.00 179.25 178.27 1ned h ALA 80 N 1.40 0.02 0.03 0.00 0.00 -0.07 -0.95 119.26 119.70 1ned h ALA 80 Ca 0.32 0.03 0.02 0.00 0.00 0.00 0.00 54.91 55.28 1ned h ALA 80 Cb 0.58 0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.45 1ned h ALA 80 CO -0.81 -0.52 -0.16 0.28 0.00 0.00 0.00 179.25 178.04 1ned h VAL 81 N -0.05 0.63 -0.63 0.00 2.07 0.35 0.04 116.25 118.66 1ned h VAL 81 Ca 0.05 0.00 0.10 0.00 0.82 0.00 0.00 66.70 67.66 1ned h VAL 81 Cb 0.12 0.63 -0.07 0.00 -1.52 0.00 0.00 31.29 30.44 1ned h VAL 81 CO -0.11 0.00 0.24 -0.08 0.02 0.00 0.00 177.57 177.64 1ned h GLU 82 N -0.28 0.40 0.81 1.57 4.57 0.52 -1.99 114.58 120.19 1ned h GLU 82 Ca 0.04 -0.02 -0.04 0.00 -1.18 0.00 0.00 59.36 58.16 1ned h GLU 82 Cb 0.32 -0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.82 1ned h GLU 82 CO -0.13 0.27 -0.46 1.25 -1.18 0.00 0.00 179.01 178.76 1ned h LEU 83 N 0.42 -1.13 -1.77 1.64 5.85 -0.49 -2.33 115.31 117.49 1ned h LEU 83 Ca 0.32 0.06 0.30 0.00 0.84 0.00 0.00 57.88 59.39 1ned h LEU 83 Cb 0.40 0.32 -0.06 0.00 0.37 0.00 0.00 40.66 41.69 1ned h LEU 83 CO -0.32 -0.73 0.75 0.00 -0.34 0.00 0.00 178.44 177.80 1ned h ALA 84 N -1.07 2.76 -0.84 1.25 0.00 -0.74 0.33 119.26 120.95 1ned h ALA 84 Ca -0.11 -0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.80 1ned h ALA 84 Cb 0.93 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1ned h ALA 84 CO 0.14 -1.10 0.00 1.17 0.00 0.00 0.00 179.25 179.45 1ned n LYS 85 N -4.35 0.00 -0.32 0.00 4.81 -0.77 -1.25 118.16 116.27 1ned n LYS 85 Ca 0.24 0.36 0.22 0.00 -0.87 0.00 0.00 58.31 58.26 1ned n LYS 85 Cb 1.06 -1.28 0.44 0.00 0.02 0.00 0.00 35.03 35.27 1ned n LYS 85 CO 0.00 0.00 0.00 -0.44 1.17 0.00 0.00 177.40 178.13 1ned h ASP 86 N 0.00 0.29 0.35 3.14 5.19 -0.97 0.32 116.42 124.73 1ned h ASP 86 Ca 0.00 0.21 -0.02 0.00 -0.62 0.00 0.00 57.03 56.61 1ned h ASP 86 Cb 0.00 0.22 -0.00 0.00 0.18 0.00 0.00 39.33 39.73 1ned h ASP 86 CO 0.00 -0.22 -0.20 -0.25 -3.12 0.00 0.00 179.24 175.45 1ned h TRP 87 N 0.21 -0.54 0.00 4.55 7.01 -0.98 -2.14 115.95 124.07 1ned h TRP 87 Ca 0.71 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.70 1ned h TRP 87 Cb 1.63 0.19 0.00 0.00 -2.10 0.00 0.00 29.16 28.87 1ned h TRP 87 CO -0.10 -0.31 0.00 -2.13 -2.79 0.00 0.00 178.44 173.11 1ned n ARG 88 N -3.54 0.93 0.00 2.65 3.00 -0.19 -3.49 116.66 116.02 1ned n ARG 88 Ca -0.06 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.79 1ned n ARG 88 Cb 0.21 -1.16 0.00 0.00 0.00 0.00 0.00 32.46 31.51 1ned n ARG 88 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.63 180.04 1ned n THR 89 N 0.39 0.00 -1.64 5.15 -1.04 -0.07 -4.92 114.28 112.15 1ned n THR 89 Ca 0.00 0.00 -0.51 0.00 -2.04 0.00 0.00 64.05 61.50 1ned n THR 89 Cb 0.40 -0.02 -0.06 0.00 -1.82 0.00 0.00 70.33 68.84 1ned n THR 89 CO 0.00 0.00 0.00 -0.90 -0.64 0.00 0.00 175.07 173.53 1ned n ASP 90 N 0.00 2.34 -0.25 8.00 5.68 -1.03 -4.72 116.55 126.57 1ned n ASP 90 Ca 0.00 1.09 0.10 0.00 -0.50 0.00 0.00 54.79 55.48 1ned n ASP 90 Cb 0.00 -1.26 0.20 0.00 -1.14 0.00 0.00 41.12 38.92 1ned n ASP 90 CO 0.00 0.00 0.00 -1.14 -1.33 0.00 0.00 177.20 174.73 1ned n ARG 92 N 3.67 -0.06 0.22 0.11 0.00 -1.26 -1.00 116.66 118.34 1ned n ARG 92 Ca 0.20 1.07 -0.14 0.00 -0.00 0.00 0.00 57.85 58.99 1ned n ARG 92 Cb 0.22 -1.70 -0.07 0.00 0.00 0.00 0.00 32.46 30.90 1ned n ARG 92 CO 0.00 0.00 0.00 1.98 0.00 0.00 0.00 177.63 179.61 1ned h MET 93 N 0.00 -0.73 -0.20 -0.14 4.05 -1.95 -2.38 114.93 113.59 1ned h MET 93 Ca 0.43 0.05 0.06 0.00 -0.28 0.00 0.00 59.70 59.96 1ned h MET 93 Cb 0.87 0.17 -0.01 0.00 -0.80 0.00 0.00 31.60 31.82 1ned h MET 93 CO -0.68 -0.49 0.17 -0.07 0.23 0.00 0.00 176.91 176.08 1ned h LEU 93 N -0.76 0.00 -0.33 3.39 -0.00 -1.33 -0.55 115.31 115.73 1ned h LEU 93 Ca -0.05 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.83 1ned h LEU 93 Cb 0.65 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.31 1ned h LEU 93 CO -0.04 0.00 0.04 -1.14 -0.00 0.00 0.00 178.44 177.30 1ned n ARG 93 N -4.15 0.03 -0.04 1.13 0.00 -0.88 -0.91 116.66 111.83 1ned n ARG 93 Ca 0.02 0.50 -0.21 0.00 -0.00 0.00 0.00 57.85 58.16 1ned n ARG 93 Cb 0.31 -1.65 -0.13 0.00 0.00 0.00 0.00 32.46 30.99 1ned n ARG 93 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1ned n LYS 94 N -1.65 0.70 -2.11 -0.14 5.02 -0.21 -4.86 118.16 114.91 1ned n LYS 94 Ca -0.00 0.29 -0.42 0.00 -2.02 0.00 0.00 58.31 56.15 1ned n LYS 94 Cb 0.05 -1.67 -0.03 0.00 -0.02 0.00 0.00 35.03 33.37 1ned n LYS 94 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 1ned s LEU 95 N -7.09 4.35 0.04 -0.35 1.02 -0.09 -5.00 118.68 111.56 1ned s LEU 95 Ca -0.27 2.32 0.07 0.00 0.02 0.00 0.00 54.13 56.28 1ned s LEU 95 Cb 0.07 -3.57 -0.02 0.00 0.02 0.00 0.00 46.19 42.69 1ned s LEU 95 CO 0.70 -0.75 -0.20 -0.70 0.02 0.00 0.00 176.35 175.42 1ned s GLU 96 N 1.90 1.41 0.00 1.70 2.12 -1.26 -4.90 118.70 119.66 1ned s GLU 96 Ca 0.67 -0.91 0.00 0.00 0.36 0.00 0.00 54.97 55.09 1ned s GLU 96 Cb -0.36 -1.50 0.00 0.00 0.26 0.00 0.00 34.13 32.53 1ned s GLU 96 CO 0.30 0.39 0.00 0.00 -0.54 0.00 0.00 175.26 175.40 1ned n ALA 97 N 1.93 0.00 -3.57 6.30 0.00 -1.26 -4.69 120.51 119.22 1ned n ALA 97 Ca -0.17 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.14 1ned n ALA 97 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.85 1ned n ALA 97 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1ned s LEU 98 N 0.00 0.77 -0.17 0.00 1.43 -1.14 -3.34 118.68 116.23 1ned s LEU 98 Ca 0.00 0.39 0.00 0.00 -1.03 0.00 0.00 54.13 53.49 1ned s LEU 98 Cb 0.00 0.55 0.01 0.00 0.03 0.00 0.00 46.19 46.78 1ned s LEU 98 CO 0.00 -0.13 -0.17 -0.76 0.23 0.00 0.00 176.35 175.51 1ned s LEU 99 N 0.94 2.30 -0.29 1.79 1.02 0.57 -0.41 118.68 124.60 1ned s LEU 99 Ca -0.07 -0.57 -0.10 0.00 0.02 0.00 0.00 54.13 53.41 1ned s LEU 99 Cb -0.09 -1.53 -0.03 0.00 0.02 0.00 0.00 46.19 44.57 1ned s LEU 99 CO -0.05 0.03 0.17 0.00 0.02 0.00 0.00 176.35 176.51 1ned s ALA 100 N 1.12 3.39 0.03 4.21 0.00 0.15 0.56 121.76 131.22 1ned s ALA 100 Ca 0.01 -1.22 0.04 0.00 0.00 0.00 0.00 51.96 50.78 1ned s ALA 100 Cb -0.14 -2.41 -0.02 0.00 0.00 0.00 0.00 23.12 20.55 1ned s ALA 100 CO -0.07 -0.70 -0.12 0.08 0.00 0.00 0.00 175.76 174.95 1ned s VAL 101 N 1.69 0.95 0.25 0.00 1.01 -0.48 0.77 120.40 124.58 1ned s VAL 101 Ca 0.06 -0.93 -0.19 0.00 0.00 0.00 0.00 61.98 60.91 1ned s VAL 101 Cb -0.16 -0.88 0.02 0.00 0.00 0.00 0.00 36.38 35.36 1ned s VAL 101 CO 0.08 -0.04 0.64 0.00 0.00 0.00 0.00 175.10 175.78 1ned s ALA 102 N -0.86 -1.07 0.00 5.51 0.00 -0.37 0.11 121.76 125.08 1ned s ALA 102 Ca -0.00 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.67 1ned s ALA 102 Cb -0.08 0.89 0.00 0.00 0.00 0.00 0.00 23.12 23.93 1ned s ALA 102 CO 0.01 -0.94 0.00 -0.40 0.00 0.00 0.00 175.76 174.43 1ned n ASP 103 N -0.42 0.00 -0.28 0.00 5.75 0.04 -0.71 116.55 120.93 1ned n ASP 103 Ca -0.06 -0.73 0.06 0.00 -0.01 0.00 0.00 54.79 54.06 1ned n ASP 103 Cb 0.61 0.00 0.21 0.00 -1.03 0.00 0.00 41.12 40.91 1ned n ASP 103 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1ned h GLU 104 N 0.00 0.52 0.00 0.11 5.08 -1.96 -3.01 114.58 115.32 1ned h GLU 104 Ca 0.00 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.33 1ned h GLU 104 Cb 0.00 -0.12 0.00 0.00 0.50 0.00 0.00 28.75 29.13 1ned h GLU 104 CO 0.00 0.34 0.00 2.41 -1.00 0.00 0.00 179.01 180.76 1ned n THR 105 N -4.93 0.00 -2.53 1.13 -1.04 -1.26 -5.01 114.28 100.63 1ned n THR 105 Ca 0.16 0.93 0.00 0.00 -2.04 0.00 0.00 64.05 63.10 1ned n THR 105 Cb 0.43 -1.72 0.00 0.00 -1.82 0.00 0.00 70.33 67.22 1ned n THR 105 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1ned n ALA 109 N -1.04 0.00 -2.68 2.41 0.00 -1.14 -5.13 120.51 112.92 1ned n ALA 109 Ca 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 53.44 53.26 1ned n ALA 109 Cb 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 19.45 19.31 1ned n ALA 109 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1ned s SER 110 N 0.89 1.20 -0.27 0.00 0.01 -1.26 -0.78 113.70 113.49 1ned s SER 110 Ca 0.00 -0.27 -0.23 0.00 1.31 0.00 0.00 55.95 56.76 1ned s SER 110 Cb 0.00 -0.10 0.07 0.00 0.21 0.00 0.00 66.02 66.20 1ned s SER 110 CO 0.00 0.06 0.71 -1.48 0.41 0.00 0.00 173.24 172.95 1ned s LEU 111 N -0.56 -0.80 0.12 2.44 0.05 0.30 -4.39 118.68 115.83 1ned s LEU 111 Ca 0.02 1.47 -0.28 0.00 0.05 0.00 0.00 54.13 55.39 1ned s LEU 111 Cb -0.05 2.45 -0.07 0.00 -2.05 0.00 0.00 46.19 46.47 1ned s LEU 111 CO 0.00 -0.25 0.87 -0.63 -0.55 0.00 0.00 176.35 175.79 1ned s ILE 112 N 0.72 4.48 -0.11 1.48 1.01 0.13 -1.39 121.20 127.51 1ned s ILE 112 Ca -0.03 1.87 0.00 0.00 0.00 0.00 0.00 60.65 62.50 1ned s ILE 112 Cb -0.05 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.21 1ned s ILE 112 CO -0.05 0.40 -0.10 -0.63 0.00 0.00 0.00 174.94 174.56 1ned s ILE 113 N -0.41 1.16 0.17 2.92 1.01 0.19 0.18 121.20 126.42 1ned s ILE 113 Ca 0.41 -0.39 0.06 0.00 0.00 0.00 0.00 60.65 60.73 1ned s ILE 113 Cb -0.23 -1.13 -0.04 0.00 0.01 0.00 0.00 42.46 41.07 1ned s ILE 113 CO 0.27 0.39 0.09 0.42 0.00 0.00 0.00 174.94 176.11 1ned s THR 114 N 1.48 4.22 0.27 2.92 -4.23 -0.49 -0.31 115.64 119.49 1ned s THR 114 Ca 0.01 -1.22 -0.00 0.00 -1.18 0.00 0.00 61.69 59.30 1ned s THR 114 Cb -0.13 -3.15 0.09 0.00 1.34 0.00 0.00 72.50 70.65 1ned s THR 114 CO -0.07 -0.13 1.74 1.23 -0.54 0.00 0.00 174.62 176.86 1ned h GLY 115 N 2.45 0.70 -0.51 3.99 0.00 -1.88 -2.99 103.07 104.83 1ned h GLY 115 Ca -0.47 -0.51 0.34 0.00 0.00 0.00 0.00 47.33 46.68 1ned h GLY 115 CO 0.61 0.47 0.78 -0.57 0.00 0.00 0.00 176.54 177.84 1ned h ASN 116 N 0.59 0.28 0.00 0.19 -1.24 -1.94 -3.18 115.58 110.28 1ned h ASN 116 Ca 0.10 0.08 0.00 0.00 0.71 0.00 0.00 56.30 57.19 1ned h ASN 116 Cb 0.56 0.04 0.00 0.00 0.73 0.00 0.00 38.32 39.65 1ned h ASN 116 CO 0.03 -0.01 0.00 0.61 -1.29 0.00 0.00 177.43 176.78 1ned n GLY 117 N -1.57 0.86 3.33 1.57 0.00 -1.13 -4.76 105.19 103.50 1ned n GLY 117 Ca 0.29 -0.66 0.02 0.00 0.00 0.00 0.00 46.02 45.68 1ned n GLY 117 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1ned s ASP 118 N 0.00 -0.56 -0.14 1.61 1.01 -1.25 -4.98 116.67 112.36 1ned s ASP 118 Ca 0.00 0.67 -0.00 0.00 0.71 0.00 0.00 52.55 53.92 1ned s ASP 118 Cb 0.00 1.59 -0.01 0.00 1.01 0.00 0.00 42.92 45.51 1ned s ASP 118 CO 0.00 -0.11 -0.13 -0.69 0.21 0.00 0.00 175.17 174.45 1ned s VAL 119 N 2.53 2.93 -0.02 -1.27 1.01 -1.26 -1.40 120.40 122.93 1ned s VAL 119 Ca -0.01 -0.69 0.00 0.00 0.00 0.00 0.00 61.98 61.28 1ned s VAL 119 Cb -0.07 -2.24 0.01 0.00 0.00 0.00 0.00 36.38 34.09 1ned s VAL 119 CO -0.16 0.52 -0.01 -0.69 0.00 0.00 0.00 175.10 174.75 1ned s VAL 120 N 0.56 0.15 -0.31 2.92 1.01 0.13 -4.96 120.40 119.90 1ned s VAL 120 Ca -0.08 0.02 -0.12 0.00 0.00 0.00 0.00 61.98 61.79 1ned s VAL 120 Cb -0.16 -0.20 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1ned s VAL 120 CO 0.04 0.10 0.23 -1.10 0.00 0.00 0.00 175.10 174.36 1ned s GLN 121 N 0.54 3.74 1.47 2.72 1.11 -1.26 0.17 119.66 128.15 1ned s GLN 121 Ca -0.05 -0.44 -0.24 0.00 0.01 0.00 0.00 55.36 54.64 1ned s GLN 121 Cb -0.08 -3.73 0.38 0.00 -1.01 0.00 0.00 33.01 28.57 1ned s GLN 121 CO -0.01 -0.31 0.91 -1.25 0.01 0.00 0.00 175.29 174.63 1ned s PRO 122 N 1.78 -3.28 0.00 2.91 0.04 -1.26 -4.87 135.00 130.32 1ned s PRO 122 Ca 0.07 0.06 0.17 0.00 0.04 0.00 0.00 61.00 61.35 1ned s PRO 122 Cb -0.17 -1.34 1.03 0.00 0.04 0.00 0.00 34.50 34.06 1ned s PRO 122 CO 0.11 -5.08 1.44 0.39 0.04 0.00 0.00 177.00 173.89 1ned n GLU 123 N -5.77 0.58 -0.79 4.56 1.02 -1.26 -3.79 120.64 115.19 1ned n GLU 123 Ca 0.14 0.00 -0.03 0.00 -0.02 0.00 0.00 57.16 57.25 1ned n GLU 123 Cb 0.61 -1.46 -0.03 0.00 -0.02 0.00 0.00 31.44 30.54 1ned n GLU 123 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1ned n ASN 12 N -0.96 -0.47 -1.78 1.62 5.03 -1.26 -4.91 115.26 112.53 1ned n ASN 12 Ca 0.13 -0.95 -0.17 0.00 0.87 0.00 0.00 54.58 54.46 1ned n ASN 12 Cb 0.06 0.15 -0.05 0.00 -1.02 0.00 0.00 39.78 38.91 1ned n ASN 12 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1ned n ASP 12 N -0.03 -4.54 -4.28 6.41 8.00 -1.25 -4.63 116.55 116.24 1ned n ASP 12 Ca -0.13 0.31 -0.44 0.00 0.71 0.00 0.00 54.79 55.24 1ned n ASP 12 Cb 0.47 -4.01 -0.03 0.00 -0.02 0.00 0.00 41.12 37.52 1ned n ASP 12 CO 0.00 0.00 0.00 -0.22 -0.39 0.00 0.00 177.20 176.59 1ned s LEU 124 N -4.71 6.38 -0.23 0.64 2.96 -1.26 -3.45 118.68 119.01 1ned s LEU 124 Ca 0.00 -2.92 -0.16 0.00 -0.22 0.00 0.00 54.13 50.83 1ned s LEU 124 Cb 0.00 -2.13 -0.04 0.00 0.50 0.00 0.00 46.19 44.52 1ned s LEU 124 CO 0.00 -0.47 0.41 -0.63 -1.32 0.00 0.00 176.35 174.34 1ned s ILE 125 N -0.19 5.17 -0.12 6.68 1.01 -0.84 -4.70 121.20 128.20 1ned s ILE 125 Ca 0.20 0.70 -0.02 0.00 0.00 0.00 0.00 60.65 61.54 1ned s ILE 125 Cb -0.12 -3.74 0.04 0.00 0.01 0.00 0.00 42.46 38.66 1ned s ILE 125 CO -0.08 0.20 0.01 0.00 0.00 0.00 0.00 174.94 175.06 1ned s ALA 126 N 1.69 0.89 0.18 9.38 0.00 -1.25 0.73 121.76 133.38 1ned s ALA 126 Ca 0.18 -0.40 -0.01 0.00 0.00 0.00 0.00 51.96 51.74 1ned s ALA 126 Cb -0.15 -0.93 -0.04 0.00 0.00 0.00 0.00 23.12 22.00 1ned s ALA 126 CO 0.09 -0.73 0.10 0.96 0.00 0.00 0.00 175.76 176.18 1ned s ILE 127 N 1.90 0.07 0.00 0.00 -4.36 -0.47 -4.65 121.20 113.68 1ned s ILE 127 Ca 0.03 -1.97 0.00 0.00 -0.26 0.00 0.00 60.65 58.44 1ned s ILE 127 Cb -0.14 -2.37 0.00 0.00 1.25 0.00 0.00 42.46 41.20 1ned s ILE 127 CO -0.07 -0.14 0.00 0.61 0.24 0.00 0.00 174.94 175.58 1ned n GLY 128 N -0.23 0.76 0.32 6.27 0.00 -1.26 -1.12 105.19 109.93 1ned n GLY 128 Ca -0.00 -1.92 0.06 0.00 0.00 0.00 0.00 46.02 44.16 1ned n GLY 128 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1ned h SER 129 N 0.00 -0.68 0.51 1.61 4.64 -1.16 0.82 113.55 119.29 1ned h SER 129 Ca 0.00 0.25 0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1ned h SER 129 Cb 0.00 0.50 0.00 0.00 -0.31 0.00 0.00 62.40 62.59 1ned h SER 129 CO 0.00 -0.28 -0.33 0.61 -0.87 0.00 0.00 176.83 175.95 1ned n GLY 130 N -1.53 -1.14 0.28 -0.77 0.00 -1.23 -4.52 105.19 96.29 1ned n GLY 130 Ca 0.15 -0.31 -0.06 0.00 0.00 0.00 0.00 46.02 45.80 1ned n GLY 130 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ned n GLY 131 N 1.45 -1.70 0.23 -0.02 0.00 0.28 0.57 105.19 106.00 1ned n GLY 131 Ca 0.08 0.81 -0.06 0.00 0.00 0.00 0.00 46.02 46.85 1ned n GLY 131 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1ned h PRO 132 N 0.00 -0.12 0.34 1.61 0.11 -1.79 0.13 132.00 132.28 1ned h PRO 132 Ca 0.15 0.01 -0.00 0.00 0.11 0.00 0.00 66.00 66.26 1ned h PRO 132 Cb 0.32 0.03 -0.03 0.00 0.11 0.00 0.00 31.00 31.43 1ned h PRO 132 CO -0.66 -0.08 -0.49 1.88 -0.21 0.00 0.00 178.00 178.44 1ned h TYR 133 N -0.13 -1.38 -0.29 0.65 0.05 -0.19 -1.02 116.97 114.65 1ned h TYR 133 Ca 0.17 0.02 0.06 0.00 0.05 0.00 0.00 58.73 59.04 1ned h TYR 133 Cb 0.39 0.56 -0.07 0.00 1.01 0.00 0.00 36.73 38.63 1ned h TYR 133 CO -0.39 -0.61 -0.14 0.00 -1.05 0.00 0.00 178.16 175.96 1ned h ALA 134 N -0.82 0.09 -0.89 3.88 0.00 -0.96 -1.55 119.26 119.01 1ned h ALA 134 Ca -0.04 0.11 0.11 0.00 0.00 0.00 0.00 54.91 55.09 1ned h ALA 134 Cb 0.79 0.34 -0.13 0.00 0.00 0.00 0.00 17.79 18.79 1ned h ALA 134 CO -0.14 -0.54 -0.50 0.37 0.00 0.00 0.00 179.25 178.45 1ned h GLN 135 N -0.10 -0.06 -0.08 0.00 4.15 -0.24 0.60 115.11 119.38 1ned h GLN 135 Ca 0.15 0.00 0.01 0.00 0.77 0.00 0.00 58.65 59.59 1ned h GLN 135 Cb 0.33 0.01 -0.02 0.00 0.21 0.00 0.00 27.48 28.01 1ned h GLN 135 CO -0.35 -0.04 -0.19 0.00 -1.93 0.00 0.00 178.83 176.31 1ned h ALA 136 N 0.78 -0.55 -0.07 3.38 0.00 -0.22 0.85 119.26 123.42 1ned h ALA 136 Ca 0.22 -0.01 0.02 0.00 0.00 0.00 0.00 54.91 55.14 1ned h ALA 136 Cb 0.51 0.77 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1ned h ALA 136 CO -0.89 -0.63 -0.44 0.00 0.00 0.00 0.00 179.25 177.29 1ned h ALA 137 N -0.98 -0.83 -0.48 0.00 0.00 -0.48 0.18 119.26 116.67 1ned h ALA 137 Ca 0.02 -0.06 0.05 0.00 0.00 0.00 0.00 54.91 54.91 1ned h ALA 137 Cb 0.23 0.91 -0.06 0.00 0.00 0.00 0.00 17.79 18.87 1ned h ALA 137 CO -0.17 -0.98 -0.34 0.00 0.00 0.00 0.00 179.25 177.76 1ned h ALA 138 N -0.55 -0.40 -0.51 0.00 0.00 0.46 0.86 119.26 119.12 1ned h ALA 138 Ca 0.02 0.05 0.05 0.00 0.00 0.00 0.00 54.91 55.02 1ned h ALA 138 Cb 0.57 1.14 -0.06 0.00 0.00 0.00 0.00 17.79 19.43 1ned h ALA 138 CO -0.33 -0.62 -0.32 -0.09 0.00 0.00 0.00 179.25 177.89 1ned h ARG 139 N -0.07 -0.02 -0.89 0.00 9.65 0.15 0.25 114.38 123.44 1ned h ARG 139 Ca 0.08 0.00 0.22 0.00 -1.10 0.00 0.00 59.98 59.18 1ned h ARG 139 Cb 0.27 0.01 -0.16 0.00 -1.39 0.00 0.00 29.97 28.70 1ned h ARG 139 CO -0.49 -0.02 -0.01 0.00 2.80 0.00 0.00 179.97 182.26 1ned h ALA 140 N -0.23 0.95 0.23 2.80 0.00 0.10 0.51 119.26 123.62 1ned h ALA 140 Ca 0.08 0.30 -0.01 0.00 0.00 0.00 0.00 54.91 55.28 1ned h ALA 140 Cb 0.23 0.53 0.00 0.00 0.00 0.00 0.00 17.79 18.56 1ned h ALA 140 CO -0.49 -0.48 -0.11 -0.07 0.00 0.00 0.00 179.25 178.10 1ned h LEU 141 N 0.05 -0.27 -1.63 0.00 4.07 0.17 -0.15 115.31 117.55 1ned h LEU 141 Ca 0.51 0.01 0.47 0.00 0.08 0.00 0.00 57.88 58.94 1ned h LEU 141 Cb 0.95 0.07 -0.11 0.00 1.08 0.00 0.00 40.66 42.66 1ned h LEU 141 CO -0.82 -0.18 1.02 0.25 -1.08 0.00 0.00 178.44 177.62 1ned h LEU 142 N -0.32 0.15 0.09 1.67 5.85 0.71 0.16 115.31 123.62 1ned h LEU 142 Ca -0.03 0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.77 1ned h LEU 142 Cb 0.24 0.08 0.00 0.00 0.37 0.00 0.00 40.66 41.35 1ned h LEU 142 CO 0.05 -0.11 -0.04 -0.33 -0.34 0.00 0.00 178.44 177.67 1ned h GLU 143 N 0.05 -0.12 -1.00 1.25 4.39 0.20 -3.39 114.58 115.98 1ned h GLU 143 Ca 0.83 0.01 -0.36 0.00 0.34 0.00 0.00 59.36 60.18 1ned h GLU 143 Cb 2.89 0.03 -0.22 0.00 -0.10 0.00 0.00 28.75 31.35 1ned h GLU 143 CO -0.27 -0.08 0.46 0.09 -1.16 0.00 0.00 179.01 178.06 1ned n ASN 144 N -3.18 3.54 -3.65 1.42 4.13 -0.09 -4.93 115.26 112.49 1ned n ASN 144 Ca -0.01 -3.13 -0.00 0.00 1.68 0.00 0.00 54.58 53.12 1ned n ASN 144 Cb 0.05 -0.74 -0.00 0.00 -1.54 0.00 0.00 39.78 37.55 1ned n ASN 144 CO 0.00 0.00 0.00 0.28 0.28 0.00 0.00 177.26 177.82 1ned s THR 145 N -2.32 0.00 0.00 3.41 -1.32 0.48 -4.97 115.64 110.92 1ned s THR 145 Ca 0.40 -0.37 0.00 0.00 -1.21 0.00 0.00 61.69 60.51 1ned s THR 145 Cb 0.34 -2.16 0.00 0.00 -1.51 0.00 0.00 72.50 69.16 1ned s THR 145 CO 0.08 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.65 1ned n GLU 146 N -0.54 0.00 -0.88 7.08 0.28 -1.26 -4.36 120.64 120.96 1ned n GLU 146 Ca -0.06 0.00 0.12 0.00 -0.16 0.00 0.00 57.16 57.06 1ned n GLU 146 Cb 0.62 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 33.46 1ned n GLU 146 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1ned n LEU 147 N 0.00 0.00 -4.98 -1.84 4.77 -1.26 -4.72 117.00 108.97 1ned n LEU 147 Ca 0.00 0.95 -0.19 0.00 -0.03 0.00 0.00 56.01 56.73 1ned n LEU 147 Cb 0.00 -2.66 -0.01 0.00 -2.33 0.00 0.00 43.42 38.43 1ned n LEU 147 CO 0.00 -1.79 0.05 -0.94 -1.33 0.00 0.00 177.39 173.38 1ned s SER 150 N -5.25 5.89 0.16 -1.43 1.04 -1.26 -4.95 113.70 107.90 1ned s SER 150 Ca 0.00 -0.23 -0.16 0.00 0.48 0.00 0.00 55.95 56.04 1ned s SER 150 Cb 0.00 -1.19 0.10 0.00 0.10 0.00 0.00 66.02 65.03 1ned s SER 150 CO 0.00 -0.43 1.69 0.00 0.98 0.00 0.00 173.24 175.48 1ned h ALA 151 N 0.93 0.32 -0.01 5.32 0.00 -1.88 -0.75 119.26 123.19 1ned h ALA 151 Ca -0.45 0.12 0.00 0.00 0.00 0.00 0.00 54.91 54.58 1ned h ALA 151 Cb 1.26 0.22 -0.00 0.00 0.00 0.00 0.00 17.79 19.27 1ned h ALA 151 CO 0.53 -0.42 -0.04 -0.09 0.00 0.00 0.00 179.25 179.24 1ned h ARG 152 N 0.07 -0.04 -0.78 0.00 9.65 -1.93 -0.14 114.38 121.20 1ned h ARG 152 Ca 0.19 0.00 0.15 0.00 -1.10 0.00 0.00 59.98 59.22 1ned h ARG 152 Cb 0.28 0.01 -0.15 0.00 -1.39 0.00 0.00 29.97 28.72 1ned h ARG 152 CO -0.34 -0.03 -0.23 0.93 2.80 0.00 0.00 179.97 183.09 1ned h GLU 153 N -0.04 -0.02 0.56 0.20 5.08 -1.87 -0.07 114.58 118.42 1ned h GLU 153 Ca 0.00 0.00 -0.02 0.00 -1.00 0.00 0.00 59.36 58.34 1ned h GLU 153 Cb 0.05 0.01 -0.01 0.00 0.50 0.00 0.00 28.75 29.29 1ned h GLU 153 CO -0.03 -0.02 -0.41 0.82 -1.00 0.00 0.00 179.01 178.37 1ned h ILE 154 N -0.03 0.16 -0.09 3.13 2.04 -0.67 0.32 117.51 122.37 1ned h ILE 154 Ca 0.36 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.25 1ned h ILE 154 Cb 0.58 0.16 -0.06 0.00 -0.74 0.00 0.00 36.82 36.76 1ned h ILE 154 CO -0.81 0.00 -0.49 0.00 0.00 0.00 0.00 178.15 176.84 1ned h ALA 155 N -0.67 -0.79 -0.27 1.87 0.00 -0.24 0.55 119.26 119.70 1ned h ALA 155 Ca -0.07 -0.05 0.03 0.00 0.00 0.00 0.00 54.91 54.83 1ned h ALA 155 Cb 0.80 0.91 -0.05 0.00 0.00 0.00 0.00 17.79 19.44 1ned h ALA 155 CO 0.02 -1.03 -0.33 1.49 0.00 0.00 0.00 179.25 179.39 1ned h GLU 156 N -0.58 -0.21 -0.49 0.00 4.81 -0.86 0.47 114.58 117.71 1ned h GLU 156 Ca 0.04 0.01 0.05 0.00 -0.13 0.00 0.00 59.36 59.34 1ned h GLU 156 Cb 0.68 0.05 -0.08 0.00 0.63 0.00 0.00 28.75 30.02 1ned h GLU 156 CO -0.40 -0.14 -0.52 0.87 -0.73 0.00 0.00 179.01 178.09 1ned h LYS 157 N -0.22 -0.28 0.43 1.92 6.56 0.46 0.58 116.57 126.02 1ned h LYS 157 Ca 0.05 0.02 -0.01 0.00 -1.06 0.00 0.00 60.65 59.65 1ned h LYS 157 Cb 0.35 0.06 -0.01 0.00 -0.57 0.00 0.00 32.23 32.05 1ned h LYS 157 CO -0.37 -0.19 -0.34 0.00 -2.06 0.00 0.00 179.45 176.49 1ned h ALA 158 N -0.03 -0.78 -0.27 3.86 0.00 0.10 -1.76 119.26 120.39 1ned h ALA 158 Ca 0.08 -0.14 0.08 0.00 0.00 0.00 0.00 54.91 54.93 1ned h ALA 158 Cb 0.51 0.46 -0.01 0.00 0.00 0.00 0.00 17.79 18.75 1ned h ALA 158 CO -0.62 -0.97 0.42 1.25 0.00 0.00 0.00 179.25 179.33 1ned h LEU 159 N -0.76 0.00 0.18 0.00 5.85 0.44 0.44 115.31 121.45 1ned h LEU 159 Ca -0.04 0.00 -0.01 0.00 0.84 0.00 0.00 57.88 58.67 1ned h LEU 159 Cb 0.66 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.69 1ned h LEU 159 CO -0.01 0.00 -0.08 0.44 -0.34 0.00 0.00 178.44 178.45 1ned h ASP 160 N 0.00 -0.20 -1.01 1.25 3.32 -0.27 -3.32 116.42 116.19 1ned h ASP 160 Ca 0.13 0.01 0.32 0.00 0.02 0.00 0.00 57.03 57.50 1ned h ASP 160 Cb 0.96 0.05 -0.14 0.00 0.22 0.00 0.00 39.33 40.42 1ned h ASP 160 CO -0.00 0.11 0.59 0.40 -1.72 0.00 0.00 179.24 178.62 1ned h ILE 161 N -0.74 0.33 -0.21 0.35 2.04 0.24 0.19 117.51 119.71 1ned h ILE 161 Ca -0.02 -0.12 0.03 0.00 1.00 0.00 0.00 64.86 65.74 1ned h ILE 161 Cb 0.18 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.16 1ned h ILE 161 CO 0.04 0.06 -0.31 0.00 0.00 0.00 0.00 178.15 177.95 1ned h ALA 162 N 1.82 -0.58 -0.19 1.87 0.00 -0.41 0.13 119.26 121.91 1ned h ALA 162 Ca 0.72 -0.00 0.06 0.00 0.00 0.00 0.00 54.91 55.68 1ned h ALA 162 Cb 1.65 0.93 -0.01 0.00 0.00 0.00 0.00 17.79 20.36 1ned h ALA 162 CO -0.58 -0.72 0.24 0.78 0.00 0.00 0.00 179.25 178.98 1ned h GLY 163 N -0.23 0.00 2.00 0.00 0.00 -1.06 0.56 103.07 104.35 1ned h GLY 163 Ca 0.04 0.00 -0.04 0.00 0.00 0.00 0.00 47.33 47.33 1ned h GLY 163 CO -0.32 0.00 -0.17 -0.55 0.00 0.00 0.00 176.54 175.50 1ned h ASP 164 N 0.00 0.00 0.00 0.19 3.32 -0.58 -3.36 116.42 115.99 1ned h ASP 164 Ca 0.09 0.00 -0.17 0.00 0.02 0.00 0.00 57.03 56.97 1ned h ASP 164 Cb 0.57 0.00 -0.03 0.00 0.22 0.00 0.00 39.33 40.09 1ned h ASP 164 CO -0.00 0.17 -1.42 -0.38 -1.72 0.00 0.00 179.24 175.89 1ned n ILE 165 N -3.48 1.26 -2.65 0.35 5.41 0.18 -4.93 119.36 115.50 1ned n ILE 165 Ca -0.01 -0.03 -0.43 0.00 1.00 0.00 0.00 62.75 63.28 1ned n ILE 165 Cb 0.34 -1.95 -0.02 0.00 -0.71 0.00 0.00 39.64 37.29 1ned n ILE 165 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1ned h ILE 167 N 5.90 1.01 0.00 0.00 -0.00 -1.88 -1.20 117.51 121.35 1ned h ILE 167 Ca -0.22 -0.32 0.00 0.00 -0.00 0.00 0.00 64.86 64.33 1ned h ILE 167 Cb 1.06 0.01 0.00 0.00 -0.00 0.00 0.00 36.82 37.89 1ned h ILE 167 CO 1.06 0.17 0.00 -1.22 -0.00 0.00 0.00 178.15 178.16 1ned n TYR 168 N -4.51 0.00 -4.43 0.16 4.01 -1.26 -4.67 117.16 106.46 1ned n TYR 168 Ca 0.14 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.54 1ned n TYR 168 Cb 0.25 -0.02 -0.10 0.00 -0.31 0.00 0.00 39.34 39.16 1ned n TYR 168 CO 0.00 0.00 0.00 0.99 -0.46 0.00 0.00 176.86 177.39 1ned s THR 169 N -2.04 4.14 -0.04 -0.72 2.01 -0.45 0.90 115.64 119.43 1ned s THR 169 Ca 0.13 -0.34 -0.17 0.00 0.31 0.00 0.00 61.69 61.62 1ned s THR 169 Cb 0.06 -2.74 -0.10 0.00 0.01 0.00 0.00 72.50 69.73 1ned s THR 169 CO 0.10 0.58 0.71 -1.13 -0.69 0.00 0.00 174.62 174.20 1ned h ASN 170 N 5.11 -0.41 0.00 3.53 -0.73 -1.86 -3.42 115.58 117.79 1ned h ASN 170 Ca -0.50 -0.06 0.00 0.00 1.87 0.00 0.00 56.30 57.61 1ned h ASN 170 Cb 1.19 0.11 0.00 0.00 0.27 0.00 0.00 38.32 39.88 1ned h ASN 170 CO 0.54 0.04 0.00 1.41 -0.37 0.00 0.00 177.43 179.05 1ned n HIS 171 N -5.11 0.00 -2.69 0.67 8.25 -1.26 -4.90 115.22 110.17 1ned n HIS 171 Ca -0.07 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.96 1ned n HIS 171 Cb 0.23 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.32 1ned n HIS 171 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1ned s PHE 172 N -2.70 3.18 -0.34 4.41 5.36 -1.26 -5.00 117.98 121.62 1ned s PHE 172 Ca 0.00 1.16 -0.13 0.00 -0.96 0.00 0.00 56.93 56.99 1ned s PHE 172 Cb 0.00 -3.57 -0.02 0.00 -0.34 0.00 0.00 43.02 39.10 1ned s PHE 172 CO 0.00 -0.70 0.28 -1.01 -1.46 0.00 0.00 175.22 172.32 1ned s HIS 173 N 3.49 3.22 -0.25 10.12 3.76 -1.26 -2.84 115.29 131.53 1ned s HIS 173 Ca 0.43 -0.13 -0.10 0.00 -0.15 0.00 0.00 55.06 55.11 1ned s HIS 173 Cb -0.13 -2.53 -0.05 0.00 1.11 0.00 0.00 32.58 30.98 1ned s HIS 173 CO 0.14 -0.37 0.16 0.99 -0.85 0.00 0.00 174.74 174.81 1ned s THR 174 N 1.82 5.23 0.07 1.30 2.01 -0.49 -4.99 115.64 120.59 1ned s THR 174 Ca 0.08 0.14 0.04 0.00 0.31 0.00 0.00 61.69 62.26 1ned s THR 174 Cb -0.17 -3.46 -0.03 0.00 0.01 0.00 0.00 72.50 68.85 1ned s THR 174 CO 0.11 0.32 -0.11 0.27 -0.69 0.00 0.00 174.62 174.52 1ned s ILE 175 N 1.31 0.88 -0.10 1.82 -5.25 -1.26 -1.95 121.20 116.65 1ned s ILE 175 Ca 0.07 -1.31 -0.04 0.00 -0.99 0.00 0.00 60.65 58.39 1ned s ILE 175 Cb -0.14 -0.98 0.05 0.00 2.95 0.00 0.00 42.46 44.34 1ned s ILE 175 CO 0.06 -0.35 0.20 -1.61 -1.79 0.00 0.00 174.94 171.45 1ned s GLU 176 N -1.92 0.09 -0.03 0.37 0.41 -0.45 -5.02 118.70 112.15 1ned s GLU 176 Ca -0.03 0.58 0.02 0.00 -0.41 0.00 0.00 54.97 55.14 1ned s GLU 176 Cb -0.08 -0.17 0.00 0.00 -1.78 0.00 0.00 34.13 32.10 1ned s GLU 176 CO 0.01 -0.26 -0.09 -1.83 -0.49 0.00 0.00 175.26 172.60 1ned s GLU 177 N 2.04 0.97 -0.10 1.61 -1.05 -1.26 -1.25 118.70 119.66 1ned s GLU 177 Ca -0.01 -0.30 0.03 0.00 -0.15 0.00 0.00 54.97 54.55 1ned s GLU 177 Cb -0.12 -0.91 0.01 0.00 -0.44 0.00 0.00 34.13 32.67 1ned s GLU 177 CO -0.07 0.10 -0.19 -0.48 0.95 0.00 0.00 175.26 175.57 1ned s LEU 178 N 0.24 1.92 0.35 1.83 0.05 -0.49 -4.98 118.68 117.60 1ned s LEU 178 Ca -0.04 -0.48 -0.03 0.00 0.05 0.00 0.00 54.13 53.63 1ned s LEU 178 Cb -0.09 -1.22 -0.04 0.00 -2.05 0.00 0.00 46.19 42.79 1ned s LEU 178 CO 0.01 0.09 0.59 -0.44 -0.55 0.00 0.00 176.35 176.05 1ned s SER 179 N 0.62 6.35 -0.13 1.48 0.01 -1.25 -2.01 113.70 118.75 1ned s SER 179 Ca -0.14 0.64 0.16 0.00 1.31 0.00 0.00 55.95 57.92 1ned s SER 179 Cb -0.17 -2.11 0.33 0.00 0.21 0.00 0.00 66.02 64.28 1ned s SER 179 CO 0.04 -0.31 1.19 0.00 0.41 0.00 0.00 173.24 174.57 1ned n TYR 180 N -1.54 -0.15 -3.11 2.43 4.11 -0.65 -4.97 117.16 113.28 1ned n TYR 180 Ca -0.03 -1.15 0.00 0.00 -0.00 0.00 0.00 57.90 56.73 1ned n TYR 180 Cb 0.55 0.37 0.00 0.00 -0.00 0.00 0.00 39.34 40.26 1ned n TYR 180 CO 0.00 0.00 0.00 0.36 -0.00 0.00 0.00 176.86 177.22 1ned n LYS 181 N -0.33 -0.78 -0.68 -3.48 2.85 -1.26 -5.05 118.16 109.42 1ned n LYS 181 Ca -0.08 0.00 0.09 0.00 -1.05 0.00 0.00 58.31 57.27 1ned n LYS 181 Cb 0.89 0.00 -0.03 0.00 -0.65 0.00 0.00 35.03 35.24 1ned n LYS 181 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 177.40 177.35 1ned n ALA 182 N 0.00 -1.76 -2.71 0.58 0.00 -1.26 -4.96 120.51 110.40 1ned n ALA 182 Ca 0.00 0.28 -0.06 0.00 0.00 0.00 0.00 53.44 53.65 1ned n ALA 182 Cb 0.00 -0.65 0.06 0.00 0.00 0.00 0.00 19.45 18.86 1ned n ALA 182 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1ned n GLU 183 N -2.96 0.45 -2.07 0.00 4.71 -1.26 -5.16 120.64 114.36 1ned n GLU 183 Ca -0.01 -1.27 -0.40 0.00 -0.01 0.00 0.00 57.16 55.47 1ned n GLU 183 Cb 0.31 -0.87 -0.01 0.00 -1.01 0.00 0.00 31.44 29.87 1ned n GLU 183 CO 0.00 0.00 0.00 -0.06 0.09 0.00 0.00 177.13 177.16 1ned s PHE 184 N 0.49 2.92 0.43 -0.32 0.08 -1.26 -5.06 117.98 115.25 1ned s PHE 184 Ca 0.29 1.39 0.06 0.00 0.12 0.00 0.00 56.93 58.79 1ned s PHE 184 Cb 0.20 -3.70 -0.07 0.00 -0.57 0.00 0.00 43.02 38.88 1ned s PHE 184 CO -0.16 -2.04 0.01 -1.01 -0.10 0.00 0.00 175.22 171.92 1ned s HIS 185 N -1.19 2.39 -0.11 0.36 3.76 -1.26 -5.16 115.29 114.07 1ned s HIS 185 Ca 0.52 -0.73 -0.04 0.00 -0.15 0.00 0.00 55.06 54.66 1ned s HIS 185 Cb -0.40 -1.74 0.06 0.00 1.11 0.00 0.00 32.58 31.62 1ned s HIS 185 CO 0.52 0.40 0.23 -1.01 -0.85 0.00 0.00 174.74 174.02 1ned s HIS 186 N -2.76 -0.33 -0.38 1.40 3.76 -1.26 -5.13 115.29 110.60 1ned s HIS 186 Ca 0.30 0.83 -0.06 0.00 -0.15 0.00 0.00 55.06 55.98 1ned s HIS 186 Cb 0.08 -0.10 0.07 0.00 1.11 0.00 0.00 32.58 33.74 1ned s HIS 186 CO 0.15 -0.31 0.16 -1.01 -0.85 0.00 0.00 174.74 172.88 1ned s HIS 187 N 2.27 3.37 -2.35 1.40 3.76 -1.26 -5.38 115.29 117.10 1ned s HIS 187 Ca 0.01 -1.79 0.29 0.00 -0.15 0.00 0.00 55.06 53.42 1ned s HIS 187 Cb -0.12 -2.72 1.30 0.00 1.11 0.00 0.00 32.58 32.15 1ned s HIS 187 CO -0.08 -0.85 1.89 0.72 -0.85 0.00 0.00 174.74 175.58