#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 0.02 -0.11 1.09 2.01 -1.26 -0.63 115.64 116.76 1ned s THR 2 Ca 0.00 -0.15 -0.09 0.00 0.31 0.00 0.00 61.69 61.76 1ned s THR 2 Cb 0.00 -0.54 0.03 0.00 0.01 0.00 0.00 72.50 72.00 1ned s THR 2 CO 0.00 -0.08 0.27 -0.63 -0.69 0.00 0.00 174.62 173.49 1ned s ILE 3 N -0.30 -0.01 0.31 1.82 1.01 -0.88 -2.17 121.20 120.99 1ned s ILE 3 Ca -0.04 0.03 0.05 0.00 0.00 0.00 0.00 60.65 60.68 1ned s ILE 3 Cb -0.03 -0.39 -0.06 0.00 0.01 0.00 0.00 42.46 41.98 1ned s ILE 3 CO 0.02 0.01 0.02 0.68 0.00 0.00 0.00 174.94 175.68 1ned s VAL 4 N 0.41 1.33 -0.02 2.92 -7.23 0.49 -1.81 120.40 116.48 1ned s VAL 4 Ca -0.02 -2.03 -0.22 0.00 -1.81 0.00 0.00 61.98 57.90 1ned s VAL 4 Cb -0.04 -2.70 0.04 0.00 0.56 0.00 0.00 36.38 34.25 1ned s VAL 4 CO -0.02 -0.09 0.47 -0.55 -0.31 0.00 0.00 175.10 174.60 1ned s SER 5 N -3.48 -0.39 0.15 4.85 0.15 0.64 -0.81 113.70 114.82 1ned s SER 5 Ca 0.34 0.34 -0.13 0.00 0.70 0.00 0.00 55.95 57.20 1ned s SER 5 Cb 0.08 0.41 0.01 0.00 -1.71 0.00 0.00 66.02 64.81 1ned s SER 5 CO 0.14 -0.53 0.37 -0.69 1.20 0.00 0.00 173.24 173.73 1ned s VAL 6 N -1.35 0.07 -0.20 4.45 1.01 -0.79 -2.44 120.40 121.15 1ned s VAL 6 Ca -0.12 -1.00 -0.04 0.00 0.00 0.00 0.00 61.98 60.82 1ned s VAL 6 Cb -0.03 -1.54 0.09 0.00 0.00 0.00 0.00 36.38 34.90 1ned s VAL 6 CO 0.06 -0.30 0.22 -0.60 0.00 0.00 0.00 175.10 174.48 1ned s ARG 7 N -3.89 0.19 -0.06 2.72 3.52 -1.26 -1.12 118.95 119.04 1ned s ARG 7 Ca 0.10 0.20 0.00 0.00 -0.13 0.00 0.00 55.73 55.90 1ned s ARG 7 Cb 0.02 -1.22 0.02 0.00 -1.56 0.00 0.00 34.95 32.22 1ned s ARG 7 CO -0.05 -0.65 -0.04 1.03 -0.81 0.00 0.00 175.30 174.78 1ned s ARG 8 N 2.32 0.94 5.77 5.12 1.81 -0.34 -4.99 118.95 129.58 1ned s ARG 8 Ca 0.07 -0.09 0.00 0.00 -1.72 0.00 0.00 55.73 53.99 1ned s ARG 8 Cb -0.16 -1.03 0.00 0.00 -0.45 0.00 0.00 34.95 33.32 1ned s ARG 8 CO -0.12 -0.16 0.00 0.09 -0.68 0.00 0.00 175.30 174.43 1ned n ASN 9 N 4.46 0.00 -2.78 0.23 3.02 -1.26 -1.73 115.26 117.20 1ned n ASN 9 Ca -0.18 0.00 -0.38 0.00 -0.03 0.00 0.00 54.58 53.99 1ned n ASN 9 Cb 0.51 0.00 0.04 0.00 -0.61 0.00 0.00 39.78 39.71 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 5.64 3.13 7.41 0.00 -1.26 -4.78 105.19 115.33 1ned n GLY 10 Ca 0.00 -2.50 -0.12 0.00 0.00 0.00 0.00 46.02 43.41 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 -3.98 -0.51 -0.05 1.61 3.76 -0.70 -1.63 115.29 113.79 1ned s HIS 11 Ca 0.53 1.09 0.06 0.00 -0.15 0.00 0.00 55.06 56.60 1ned s HIS 11 Cb 0.44 0.12 -0.01 0.00 1.11 0.00 0.00 32.58 34.25 1ned s HIS 11 CO -0.34 -0.34 -0.24 0.54 -0.85 0.00 0.00 174.74 173.51 1ned s VAL 12 N 1.86 2.00 0.08 -0.90 0.11 -0.76 -1.20 120.40 121.59 1ned s VAL 12 Ca -0.05 -1.04 0.04 0.00 -2.93 0.00 0.00 61.98 58.00 1ned s VAL 12 Cb -0.11 -1.69 -0.03 0.00 -1.53 0.00 0.00 36.38 33.02 1ned s VAL 12 CO -0.10 0.56 -0.11 -0.69 -3.33 0.00 0.00 175.10 171.42 1ned s VAL 13 N -0.19 0.98 -0.05 2.04 1.01 -0.28 -1.48 120.40 122.44 1ned s VAL 13 Ca -0.02 -1.48 0.01 0.00 0.00 0.00 0.00 61.98 60.49 1ned s VAL 13 Cb -0.13 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.07 1ned s VAL 13 CO 0.03 -0.42 -0.07 -0.63 0.00 0.00 0.00 175.10 174.01 1ned s ILE 14 N -1.93 0.70 -0.07 2.22 1.01 -0.46 -1.89 121.20 120.79 1ned s ILE 14 Ca 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 60.65 60.41 1ned s ILE 14 Cb -0.06 -0.69 0.04 0.00 0.01 0.00 0.00 42.46 41.75 1ned s ILE 14 CO 0.01 0.26 0.15 0.00 0.00 0.00 0.00 174.94 175.36 1ned s ALA 15 N 0.82 -0.30 0.10 9.38 0.00 0.01 -1.70 121.76 130.07 1ned s ALA 15 Ca -0.13 0.66 0.01 0.00 0.00 0.00 0.00 51.96 52.50 1ned s ALA 15 Cb -0.15 -0.43 -0.04 0.00 0.00 0.00 0.00 23.12 22.50 1ned s ALA 15 CO 0.01 -0.15 -0.04 0.20 0.00 0.00 0.00 175.76 175.79 1ned s GLY 16 N 1.01 0.79 0.00 0.00 0.00 -0.73 -0.38 107.32 108.01 1ned s GLY 16 Ca -0.08 -1.37 0.00 0.00 0.00 0.00 0.00 44.72 43.28 1ned s GLY 16 CO -0.05 -1.43 0.00 2.09 0.00 0.00 0.00 173.10 173.71 1ned n ASP 17 N -0.04 0.00 -1.39 1.64 5.75 -0.92 -1.62 116.55 119.97 1ned n ASP 17 Ca -0.11 -0.04 0.01 0.00 -0.01 0.00 0.00 54.79 54.63 1ned n ASP 17 Cb 0.61 0.00 -0.00 0.00 -1.03 0.00 0.00 41.12 40.70 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 0.88 3.64 6.12 0.00 -1.17 -4.26 105.19 115.39 1ned n GLY 18 Ca 0.00 -0.61 -0.43 0.00 0.00 0.00 0.00 46.02 44.98 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 -0.06 4.07 -1.10 1.61 0.74 -1.26 0.10 119.66 123.77 1ned s GLN 19 Ca 0.24 1.02 -0.12 0.00 0.05 0.00 0.00 55.36 56.55 1ned s GLN 19 Cb 0.28 -3.72 0.23 0.00 1.10 0.00 0.00 33.01 30.90 1ned s GLN 19 CO -0.12 -0.82 1.17 0.00 -0.55 0.00 0.00 175.29 174.97 1ned s ALA 20 N 3.45 4.36 0.24 1.58 0.00 0.21 -4.54 121.76 127.06 1ned s ALA 20 Ca 0.43 -3.57 -0.16 0.00 0.00 0.00 0.00 51.96 48.65 1ned s ALA 20 Cb -0.13 -3.76 -0.08 0.00 0.00 0.00 0.00 23.12 19.15 1ned s ALA 20 CO 0.13 -2.43 0.68 -0.08 0.00 0.00 0.00 175.76 174.06 1ned s THR 21 N 0.00 4.68 -0.19 0.00 -1.32 -1.26 0.87 115.64 118.43 1ned s THR 21 Ca 0.33 1.03 -0.06 0.00 -1.21 0.00 0.00 61.69 61.78 1ned s THR 21 Cb -0.08 -3.74 0.09 0.00 -1.51 0.00 0.00 72.50 67.26 1ned s THR 21 CO -0.06 0.07 0.38 -0.22 -2.21 0.00 0.00 174.62 172.58 1ned s LEU 22 N -2.35 -0.57 0.00 9.08 0.20 0.82 -4.84 118.68 121.02 1ned s LEU 22 Ca 0.46 0.86 0.00 0.00 0.69 0.00 0.00 54.13 56.13 1ned s LEU 22 Cb -0.14 1.19 0.00 0.00 -0.43 0.00 0.00 46.19 46.81 1ned s LEU 22 CO 0.20 -0.24 0.00 0.61 -0.29 0.00 0.00 176.35 176.63 1ned n GLY 23 N 5.38 0.94 0.70 7.98 0.00 -1.26 -0.91 105.19 118.02 1ned n GLY 23 Ca -0.08 0.55 -0.03 0.00 0.00 0.00 0.00 46.02 46.47 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 2.47 -0.44 -3.89 1.61 6.94 -1.26 -5.11 115.26 115.57 1ned n ASN 24 Ca 0.00 -1.35 -0.16 0.00 -0.02 0.00 0.00 54.58 53.05 1ned n ASN 24 Cb 0.00 0.13 -0.15 0.00 -2.36 0.00 0.00 39.78 37.40 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 0.28 -0.30 5.53 -1.32 -0.09 -5.11 115.64 114.63 1ned s THR 25 Ca 0.00 -0.08 -0.25 0.00 -1.21 0.00 0.00 61.69 60.15 1ned s THR 25 Cb 0.00 -0.29 0.00 0.00 -1.51 0.00 0.00 72.50 70.71 1ned s THR 25 CO 0.00 0.11 0.88 -0.69 -2.21 0.00 0.00 174.62 172.72 1ned s VAL 26 N 0.35 4.72 0.00 5.08 1.01 -1.26 -0.13 120.40 130.16 1ned s VAL 26 Ca -0.03 1.42 0.11 0.00 0.00 0.00 0.00 61.98 63.47 1ned s VAL 26 Cb -0.06 -4.22 -0.19 0.00 0.00 0.00 0.00 36.38 31.90 1ned s VAL 26 CO -0.01 -0.29 0.96 0.00 0.00 0.00 0.00 175.10 175.76 1ned h MET 27 N 8.03 0.00 -3.42 2.72 -0.00 0.15 -3.48 114.93 118.92 1ned h MET 27 Ca -0.23 0.00 -0.04 0.00 -0.00 0.00 0.00 59.70 59.43 1ned h MET 27 Cb 1.08 0.00 -0.11 0.00 -0.00 0.00 0.00 31.60 32.57 1ned h MET 27 CO 0.93 0.66 -0.05 0.21 -0.00 0.00 0.00 176.91 178.65 1ned s LYS 28 N -2.70 1.27 -0.42 -0.10 2.20 -1.15 -5.03 119.74 113.82 1ned s LYS 28 Ca -0.02 -0.88 0.09 0.00 -0.36 0.00 0.00 55.97 54.80 1ned s LYS 28 Cb 0.09 0.49 0.35 0.00 -1.51 0.00 0.00 37.83 37.25 1ned s LYS 28 CO 0.82 -0.52 1.11 0.41 -0.36 0.00 0.00 175.35 176.81 1ned n GLY 29 N -0.29 1.33 1.25 5.54 0.00 -1.24 0.68 105.19 112.45 1ned n GLY 29 Ca -0.11 -0.38 -0.04 0.00 0.00 0.00 0.00 46.02 45.48 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 0.06 -0.83 -4.72 1.61 0.23 0.11 -4.71 115.26 107.01 1ned n ASN 30 Ca 0.07 -1.60 -0.42 0.00 -0.53 0.00 0.00 54.58 52.10 1ned n ASN 30 Cb 0.74 0.30 -0.03 0.00 -2.08 0.00 0.00 39.78 38.71 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 0.02 4.37 -0.66 3.53 -7.23 -0.81 -4.96 120.40 114.65 1ned s VAL 31 Ca 0.02 1.79 -0.25 0.00 -1.81 0.00 0.00 61.98 61.73 1ned s VAL 31 Cb 0.08 -4.15 0.04 0.00 0.56 0.00 0.00 36.38 32.92 1ned s VAL 31 CO -0.02 0.19 1.12 -0.54 -0.31 0.00 0.00 175.10 175.54 1ned s LYS 32 N 0.61 3.24 0.21 4.82 3.01 -1.26 -4.10 119.74 126.26 1ned s LYS 32 Ca 0.53 -0.34 0.23 0.00 -1.01 0.00 0.00 55.97 55.37 1ned s LYS 32 Cb -0.26 -4.15 0.10 0.00 -1.01 0.00 0.00 37.83 32.51 1ned s LYS 32 CO 0.30 -1.88 1.15 0.87 0.51 0.00 0.00 175.35 176.30 1ned h LYS 33 N 9.71 0.00 -6.12 1.68 1.57 -1.89 -3.46 116.57 118.05 1ned h LYS 33 Ca -0.27 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 -0.18 0.00 0.08 0.00 0.00 32.23 33.19 1ned h LYS 33 CO 1.21 0.00 -0.68 0.08 -0.57 0.00 0.00 179.45 179.49 1ned s VAL 34 N -3.31 3.81 0.34 0.50 1.01 -1.26 -1.67 120.40 119.82 1ned s VAL 34 Ca 0.01 -0.46 -0.11 0.00 0.00 0.00 0.00 61.98 61.43 1ned s VAL 34 Cb 0.10 -2.57 0.04 0.00 0.00 0.00 0.00 36.38 33.95 1ned s VAL 34 CO 0.77 0.59 0.64 -2.11 0.00 0.00 0.00 175.10 174.98 1ned n ARG 35 N 2.16 0.92 -4.34 2.72 1.85 -0.47 -4.91 116.66 114.60 1ned n ARG 35 Ca -0.18 -2.02 -0.26 0.00 -1.00 0.00 0.00 57.85 54.39 1ned n ARG 35 Cb 0.53 2.40 -0.13 0.00 -1.05 0.00 0.00 32.46 34.21 1ned n ARG 35 CO 0.00 0.00 0.00 -0.98 -0.01 0.00 0.00 177.63 176.64 1ned s ARG 36 N -2.18 1.28 0.19 2.89 1.70 -1.26 -1.02 118.95 120.55 1ned s ARG 36 Ca 0.16 -1.28 0.00 0.00 -0.47 0.00 0.00 55.73 54.13 1ned s ARG 36 Cb -0.04 -1.63 -0.00 0.00 -0.57 0.00 0.00 34.95 32.71 1ned s ARG 36 CO 0.12 0.38 0.00 1.28 -1.08 0.00 0.00 175.30 176.00 1ned n LEU 37 N 0.90 0.00 -3.07 -1.89 4.77 0.56 -4.90 117.00 113.37 1ned n LEU 37 Ca -0.18 -1.22 -0.09 0.00 -0.03 0.00 0.00 56.01 54.49 1ned n LEU 37 Cb 0.54 0.14 0.00 0.00 -2.33 0.00 0.00 43.42 41.77 1ned n LEU 37 CO 0.23 -0.17 -0.08 0.00 -1.33 0.00 0.00 177.39 176.04 1ned n TYR 38 N -0.48 -0.64 -4.05 -1.77 4.19 -1.26 -2.17 117.16 110.97 1ned n TYR 38 Ca -0.08 0.24 -0.44 0.00 3.31 0.00 0.00 57.90 60.92 1ned n TYR 38 Cb 0.25 -0.91 0.02 0.00 0.49 0.00 0.00 39.34 39.18 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 -0.48 -4.20 -3.37 2.98 4.13 -1.26 -2.28 115.26 110.79 1ned n ASN 38 Ca -0.10 -1.27 -0.24 0.00 1.68 0.00 0.00 54.58 54.65 1ned n ASN 38 Cb 0.23 -1.58 0.04 0.00 -1.54 0.00 0.00 39.78 36.92 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 -2.20 -5.57 -0.02 6.41 9.92 -0.92 -4.85 116.55 119.31 1ned n ASP 39 Ca -0.14 -0.45 -0.02 0.00 -0.53 0.00 0.00 54.79 53.65 1ned n ASP 39 Cb 0.58 -4.47 -0.02 0.00 -0.64 0.00 0.00 41.12 36.57 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 -4.33 2.12 -5.09 -1.24 3.00 -0.96 -5.03 118.16 106.63 1ned n LYS 40 Ca -0.04 0.01 -0.29 0.00 -0.00 0.00 0.00 58.31 57.99 1ned n LYS 40 Cb 0.58 -1.07 -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 -2.07 1.79 0.30 3.15 1.01 -1.24 -4.46 120.40 118.88 1ned s VAL 41 Ca -0.03 -0.92 0.08 0.00 0.00 0.00 0.00 61.98 61.11 1ned s VAL 41 Cb 0.01 -1.52 -0.03 0.00 0.00 0.00 0.00 36.38 34.84 1ned s VAL 41 CO 0.10 0.50 0.21 -0.63 0.00 0.00 0.00 175.10 175.29 1ned s ILE 42 N -0.10 3.82 0.24 2.22 1.01 0.20 -0.33 121.20 128.26 1ned s ILE 42 Ca -0.03 -1.47 -0.21 0.00 0.00 0.00 0.00 60.65 58.94 1ned s ILE 42 Cb -0.13 -3.22 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1ned s ILE 42 CO 0.03 -0.26 0.67 0.00 0.00 0.00 0.00 174.94 175.38 1ned s ALA 43 N -2.26 -1.28 -0.08 9.38 0.00 -0.19 -1.31 121.76 126.03 1ned s ALA 43 Ca 0.37 -0.10 -0.09 0.00 0.00 0.00 0.00 51.96 52.14 1ned s ALA 43 Cb -0.06 0.87 0.02 0.00 0.00 0.00 0.00 23.12 23.95 1ned s ALA 43 CO 0.25 -0.94 0.25 0.20 0.00 0.00 0.00 175.76 175.52 1ned s GLY 44 N -2.87 -0.17 0.21 0.00 0.00 0.12 -1.37 107.32 103.24 1ned s GLY 44 Ca 0.08 0.60 0.10 0.00 0.00 0.00 0.00 44.72 45.50 1ned s GLY 44 CO 0.01 0.49 -0.18 -0.11 0.00 0.00 0.00 173.10 173.30 1ned s PHE 45 N -0.16 1.97 -0.14 1.90 -0.71 -0.67 -0.09 117.98 120.08 1ned s PHE 45 Ca -0.03 -0.45 0.02 0.00 -1.04 0.00 0.00 56.93 55.44 1ned s PHE 45 Cb -0.03 -0.93 0.01 0.00 -1.21 0.00 0.00 43.02 40.86 1ned s PHE 45 CO 0.01 0.46 -0.21 0.00 -1.34 0.00 0.00 175.22 174.14 1ned s ALA 46 N -2.34 2.15 0.00 1.99 0.00 0.00 -4.82 121.76 118.74 1ned s ALA 46 Ca 0.22 -1.03 0.00 0.00 0.00 0.00 0.00 51.96 51.14 1ned s ALA 46 Cb -0.05 -0.97 0.00 0.00 0.00 0.00 0.00 23.12 22.10 1ned s ALA 46 CO 0.09 -0.05 0.00 0.41 0.00 0.00 0.00 175.76 176.21 1ned n GLY 47 N 4.12 0.28 3.42 0.00 0.00 -1.26 -2.81 105.19 108.94 1ned n GLY 47 Ca -0.20 -1.44 -0.36 0.00 0.00 0.00 0.00 46.02 44.02 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 1.74 0.01 -0.02 0.00 -1.26 -5.01 107.32 102.78 1ned s GLY 48 Ca 0.00 -1.17 -0.00 0.00 0.00 0.00 0.00 44.72 43.55 1ned s GLY 48 CO 0.00 0.53 0.03 -1.30 0.00 0.00 0.00 173.10 172.36 1ned n THR 49 N 4.90 -0.01 0.00 0.90 -2.24 -1.26 -2.01 114.28 114.57 1ned n THR 49 Ca -0.16 0.04 0.00 0.00 -2.27 0.00 0.00 64.05 61.66 1ned n THR 49 Cb 0.51 -0.06 0.00 0.00 -2.10 0.00 0.00 70.33 68.68 1ned n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1ned n ALA 50 N -3.99 -0.09 -0.35 6.98 0.00 -1.26 -0.81 120.51 120.99 1ned n ALA 50 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 53.44 53.53 1ned n ALA 50 Cb 0.01 0.12 0.19 0.00 0.00 0.00 0.00 19.45 19.76 1ned n ALA 50 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 1ned n ASP 51 N -1.16 -0.27 0.06 0.00 8.00 -0.85 0.68 116.55 123.02 1ned n ASP 51 Ca 0.00 1.67 -0.16 0.00 0.71 0.00 0.00 54.79 57.01 1ned n ASP 51 Cb 0.00 -0.54 -0.10 0.00 -0.02 0.00 0.00 41.12 40.46 1ned n ASP 51 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1ned h ALA 52 N 1.95 -0.95 -0.68 2.24 0.00 -1.44 0.24 119.26 120.62 1ned h ALA 52 Ca 0.51 -0.09 0.13 0.00 0.00 0.00 0.00 54.91 55.46 1ned h ALA 52 Cb 0.88 0.94 -0.09 0.00 0.00 0.00 0.00 17.79 19.52 1ned h ALA 52 CO -0.97 -1.11 0.20 0.74 0.00 0.00 0.00 179.25 178.11 1ned h PHE 53 N -0.67 0.33 -0.43 0.00 -1.00 0.23 0.47 116.94 115.87 1ned h PHE 53 Ca 0.01 0.04 0.04 0.00 2.81 0.00 0.00 57.97 60.86 1ned h PHE 53 Cb 0.71 -0.04 -0.04 0.00 3.61 0.00 0.00 35.95 40.20 1ned h PHE 53 CO -0.51 -0.00 0.21 1.15 -1.61 0.00 0.00 178.31 177.55 1ned h THR 54 N 0.33 0.96 0.12 -1.55 2.02 0.36 -0.67 112.91 114.47 1ned h THR 54 Ca 0.36 -0.14 -0.01 0.00 0.77 0.00 0.00 66.41 67.40 1ned h THR 54 Cb 0.56 0.51 0.00 0.00 -1.74 0.00 0.00 68.15 67.47 1ned h THR 54 CO -0.42 0.08 -0.06 -0.07 0.37 0.00 0.00 175.52 175.42 1ned h LEU 55 N 0.42 -0.13 -0.50 2.58 4.07 0.22 -1.43 115.31 120.53 1ned h LEU 55 Ca 0.18 -0.23 0.08 0.00 0.08 0.00 0.00 57.88 58.00 1ned h LEU 55 Cb 0.10 0.03 -0.07 0.00 1.08 0.00 0.00 40.66 41.80 1ned h LEU 55 CO -0.14 0.16 0.10 -0.26 -1.08 0.00 0.00 178.44 177.22 1ned h PHE 56 N -0.43 0.15 0.53 1.13 0.04 -0.03 0.76 116.94 119.10 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 0.35 0.01 -0.00 0.00 2.20 0.00 0.00 35.95 38.51 1ned h PHE 56 CO 0.02 -0.01 -0.33 0.93 -0.60 0.00 0.00 178.31 178.32 1ned h GLU 57 N 0.23 -0.78 -0.99 1.51 5.08 -1.09 0.47 114.58 119.02 1ned h GLU 57 Ca 0.25 0.05 0.23 0.00 -1.00 0.00 0.00 59.36 58.89 1ned h GLU 57 Cb 0.33 0.18 -0.12 0.00 0.50 0.00 0.00 28.75 29.64 1ned h GLU 57 CO -0.33 -0.52 0.57 1.25 -1.00 0.00 0.00 179.01 178.98 1ned h LEU 58 N -0.81 0.65 -0.40 1.33 5.85 -0.81 0.40 115.31 121.53 1ned h LEU 58 Ca -0.07 0.13 -0.09 0.00 0.84 0.00 0.00 57.88 58.69 1ned h LEU 58 Cb 0.65 0.03 -0.01 0.00 0.37 0.00 0.00 40.66 41.69 1ned h LEU 58 CO 0.07 0.13 -0.11 0.15 -0.34 0.00 0.00 178.44 178.34 1ned h PHE 59 N 0.60 0.89 0.00 1.25 3.57 0.81 -0.75 116.94 123.31 1ned h PHE 59 Ca 0.62 -0.19 -0.06 0.00 3.53 0.00 0.00 57.97 61.86 1ned h PHE 59 Cb 1.12 -0.21 -0.01 0.00 2.79 0.00 0.00 35.95 39.64 1ned h PHE 59 CO -0.02 0.92 -0.30 1.49 -2.23 0.00 0.00 178.31 178.17 1ned h GLU 60 N 0.60 0.00 0.21 1.11 4.81 0.35 0.15 114.58 121.81 1ned h GLU 60 Ca 0.10 0.00 -0.01 0.00 -0.13 0.00 0.00 59.36 59.32 1ned h GLU 60 Cb 0.64 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.02 1ned h GLU 60 CO 0.04 0.30 -0.10 -0.09 -0.73 0.00 0.00 179.01 178.43 1ned h ARG 61 N 0.00 -0.28 0.00 1.92 9.65 0.00 -1.54 114.38 124.13 1ned h ARG 61 Ca -0.00 0.02 0.00 0.00 -1.10 0.00 0.00 59.98 58.90 1ned h ARG 61 Cb 0.61 0.06 0.00 0.00 -1.39 0.00 0.00 29.97 29.26 1ned h ARG 61 CO 0.04 0.06 0.01 0.87 2.80 0.00 0.00 179.97 183.75 1ned h LYS 62 N -0.65 0.00 0.23 0.20 1.79 -0.71 -1.04 116.57 116.38 1ned h LYS 62 Ca -0.03 0.00 -0.01 0.00 -2.18 0.00 0.00 60.65 58.43 1ned h LYS 62 Cb 0.46 0.00 0.00 0.00 -1.58 0.00 0.00 32.23 31.12 1ned h LYS 62 CO 0.05 0.00 -0.11 1.25 -1.08 0.00 0.00 179.45 179.56 1ned h LEU 63 N 0.00 -0.26 -1.00 2.94 5.85 -0.03 -3.19 115.31 119.62 1ned h LEU 63 Ca 0.00 0.01 0.10 0.00 0.84 0.00 0.00 57.88 58.82 1ned h LEU 63 Cb 0.03 0.07 -0.08 0.00 0.37 0.00 0.00 40.66 41.05 1ned h LEU 63 CO 0.00 0.07 0.64 -0.33 -0.34 0.00 0.00 178.44 178.47 1ned h GLU 64 N -0.80 1.04 0.00 1.25 4.39 -0.91 -0.14 114.58 119.40 1ned h GLU 64 Ca -0.03 -0.06 0.00 0.00 0.34 0.00 0.00 59.36 59.61 1ned h GLU 64 Cb 0.23 -0.23 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 1ned h GLU 64 CO 0.05 0.69 0.00 -0.12 -1.16 0.00 0.00 179.01 178.47 1ned n MET 65 N -4.57 0.17 -0.86 2.33 1.56 -0.43 -0.97 117.12 114.35 1ned n MET 65 Ca 0.17 0.00 -0.00 0.00 -0.27 0.00 0.00 57.70 57.60 1ned n MET 65 Cb 0.28 -1.32 -0.01 0.00 2.15 0.00 0.00 33.22 34.32 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 -0.82 0.00 0.00 1.12 8.25 -0.11 -5.01 115.22 118.64 1ned n HIS 66 Ca 0.03 -0.22 0.00 0.00 -0.26 0.00 0.00 57.72 57.27 1ned n HIS 66 Cb 0.01 0.07 0.00 0.00 1.12 0.00 0.00 29.99 31.19 1ned n HIS 66 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1ned n GLN 67 N 0.14 0.00 -0.64 -0.41 -0.06 -0.14 -2.66 117.38 113.62 1ned n GLN 67 Ca -0.03 0.00 -0.02 0.00 -2.00 0.00 0.00 57.00 54.96 1ned n GLN 67 Cb 0.78 0.00 -0.02 0.00 -4.06 0.00 0.00 30.24 26.95 1ned n GLN 67 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1ned n GLY 74 N 0.00 0.86 3.54 1.69 0.00 -1.26 -4.38 105.19 105.64 1ned n GLY 74 Ca 0.00 -0.01 -0.43 0.00 0.00 0.00 0.00 46.02 45.58 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 2.91 0.09 1.61 2.46 -1.09 -4.86 115.29 116.41 1ned s HIS 75 Ca 0.00 -1.56 -0.17 0.00 0.47 0.00 0.00 55.06 53.80 1ned s HIS 75 Cb 0.01 -4.62 -0.04 0.00 -0.13 0.00 0.00 32.58 27.80 1ned s HIS 75 CO -0.00 -1.72 1.11 -0.11 -2.47 0.00 0.00 174.74 171.55 1ned n LEU 76 N 7.77 -0.59 -0.05 8.88 7.94 -1.26 -1.40 117.00 138.29 1ned n LEU 76 Ca 0.41 1.24 -0.01 0.00 -1.11 0.00 0.00 56.01 56.54 1ned n LEU 76 Cb 0.47 -0.26 -0.01 0.00 0.53 0.00 0.00 43.42 44.15 1ned n LEU 76 CO 0.70 -0.93 0.40 0.52 -1.11 0.00 0.00 177.39 176.96 1ned n VAL 77 N -4.32 -0.08 -0.01 1.96 0.31 -1.26 -0.42 118.33 114.50 1ned n VAL 77 Ca 0.01 1.31 -0.14 0.00 -0.01 0.00 0.00 64.34 65.51 1ned n VAL 77 Cb 0.14 -1.72 -0.09 0.00 -0.91 0.00 0.00 33.84 31.26 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 -0.50 -0.85 5.55 1.63 -1.65 0.24 116.57 120.98 1ned h LYS 78 Ca 0.02 0.03 0.17 0.00 -0.85 0.00 0.00 60.65 60.02 1ned h LYS 78 Cb 0.05 0.11 -0.16 0.00 -0.60 0.00 0.00 32.23 31.63 1ned h LYS 78 CO -0.11 -0.34 -0.22 0.00 -3.45 0.00 0.00 179.45 175.33 1ned h ALA 79 N -0.39 0.55 -0.02 5.00 0.00 -0.22 0.58 119.26 124.75 1ned h ALA 79 Ca 0.03 0.33 0.02 0.00 0.00 0.00 0.00 54.91 55.29 1ned h ALA 79 Cb 0.62 0.65 -0.02 0.00 0.00 0.00 0.00 17.79 19.04 1ned h ALA 79 CO -0.41 -0.41 -0.08 0.00 0.00 0.00 0.00 179.25 178.36 1ned h ALA 80 N 1.83 -0.07 -0.04 0.00 0.00 0.10 -0.36 119.26 120.73 1ned h ALA 80 Ca 0.40 0.01 0.03 0.00 0.00 0.00 0.00 54.91 55.36 1ned h ALA 80 Cb 0.62 0.14 -0.04 0.00 0.00 0.00 0.00 17.79 18.51 1ned h ALA 80 CO -0.88 -0.57 -0.20 0.28 0.00 0.00 0.00 179.25 177.89 1ned h VAL 81 N -0.13 0.51 -0.62 0.00 2.07 0.31 0.12 116.25 118.52 1ned h VAL 81 Ca 0.04 0.00 0.08 0.00 0.82 0.00 0.00 66.70 67.64 1ned h VAL 81 Cb 0.18 0.51 -0.06 0.00 -1.52 0.00 0.00 31.29 30.39 1ned h VAL 81 CO -0.09 0.00 0.28 -0.08 0.02 0.00 0.00 177.57 177.70 1ned h GLU 82 N -0.30 0.50 0.69 1.57 4.57 0.07 -1.91 114.58 119.77 1ned h GLU 82 Ca 0.07 -0.03 -0.03 0.00 -1.18 0.00 0.00 59.36 58.19 1ned h GLU 82 Cb 0.40 -0.11 0.00 0.00 -0.16 0.00 0.00 28.75 28.88 1ned h GLU 82 CO -0.22 0.33 -0.37 1.25 -1.18 0.00 0.00 179.01 178.82 1ned h LEU 83 N 0.51 -0.90 -1.42 1.64 5.85 0.04 -2.49 115.31 118.54 1ned h LEU 83 Ca 0.30 0.04 0.30 0.00 0.84 0.00 0.00 57.88 59.36 1ned h LEU 83 Cb 0.30 0.25 -0.10 0.00 0.37 0.00 0.00 40.66 41.48 1ned h LEU 83 CO -0.25 -0.60 0.71 0.00 -0.34 0.00 0.00 178.44 177.96 1ned h ALA 84 N -0.70 2.38 -2.19 1.25 0.00 -0.48 0.63 119.26 120.15 1ned h ALA 84 Ca -0.09 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.88 1ned h ALA 84 Cb 0.77 0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.62 1ned h ALA 84 CO 0.13 -0.82 0.00 1.17 0.00 0.00 0.00 179.25 179.73 1ned n LYS 85 N -4.60 0.00 -0.33 0.00 4.81 -0.75 -1.08 118.16 116.22 1ned n LYS 85 Ca 0.27 0.20 0.24 0.00 -0.87 0.00 0.00 58.31 58.15 1ned n LYS 85 Cb 0.99 -1.13 0.48 0.00 0.02 0.00 0.00 35.03 35.38 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 0.44 0.40 3.14 5.19 -1.06 -0.70 116.42 123.82 1ned h ASP 86 Ca 0.00 0.20 -0.02 0.00 -0.62 0.00 0.00 57.03 56.59 1ned h ASP 86 Cb 0.00 0.17 0.00 0.00 0.18 0.00 0.00 39.33 39.68 1ned h ASP 86 CO 0.00 -0.18 -0.22 -0.25 -3.12 0.00 0.00 179.24 175.46 1ned h TRP 87 N 0.27 -0.59 0.00 4.55 7.01 -0.85 -2.17 115.95 124.17 1ned h TRP 87 Ca 0.74 -0.01 0.00 0.00 2.11 0.00 0.00 58.89 61.73 1ned h TRP 87 Cb 1.71 0.20 0.00 0.00 -2.10 0.00 0.00 29.16 28.98 1ned h TRP 87 CO -0.03 -0.34 0.00 -2.13 -2.79 0.00 0.00 178.44 173.14 1ned n ARG 88 N -3.68 0.94 0.00 2.65 3.00 -0.24 -3.34 116.66 115.99 1ned n ARG 88 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.78 1ned n ARG 88 Cb 0.23 -1.13 0.00 0.00 0.00 0.00 0.00 32.46 31.57 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 0.42 0.00 -1.63 5.15 -1.04 -0.38 -4.91 114.28 111.88 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 0.42 -0.00 -0.06 0.00 -1.82 0.00 0.00 70.33 68.87 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 2.12 -0.32 8.00 5.68 -1.04 -4.69 116.55 126.30 1ned n ASP 90 Ca 0.00 1.10 0.30 0.00 -0.50 0.00 0.00 54.79 55.69 1ned n ASP 90 Cb 0.00 -1.24 0.56 0.00 -1.14 0.00 0.00 41.12 39.29 1ned n ASP 90 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1ned h ARG 92 N 5.39 0.01 0.51 0.11 9.65 -1.91 -1.31 114.38 126.82 1ned h ARG 92 Ca -0.47 -0.00 -0.02 0.00 -1.10 0.00 0.00 59.98 58.39 1ned h ARG 92 Cb 1.31 -0.00 -0.01 0.00 -1.39 0.00 0.00 29.97 29.88 1ned h ARG 92 CO 0.83 0.01 -0.40 1.98 2.80 0.00 0.00 179.97 185.19 1ned h MET 93 N 0.01 -0.84 -0.22 0.20 4.05 -1.95 -2.54 114.93 113.64 1ned h MET 93 Ca 0.82 0.06 0.06 0.00 -0.28 0.00 0.00 59.70 60.36 1ned h MET 93 Cb 2.13 0.19 -0.01 0.00 -0.80 0.00 0.00 31.60 33.11 1ned h MET 93 CO -0.78 -0.56 0.17 -0.07 0.23 0.00 0.00 176.91 175.90 1ned h LEU 93 N -0.87 0.00 0.00 3.39 -0.00 -1.52 -0.57 115.31 115.74 1ned h LEU 93 Ca -0.07 0.00 0.00 0.00 -0.00 0.00 0.00 57.88 57.81 1ned h LEU 93 Cb 0.72 0.00 0.00 0.00 -0.00 0.00 0.00 40.66 41.38 1ned h LEU 93 CO 0.01 0.00 0.01 -1.14 -0.00 0.00 0.00 178.44 177.32 1ned n ARG 93 N -4.31 0.00 -0.04 1.13 0.63 -0.82 -1.37 116.66 111.87 1ned n ARG 93 Ca 0.02 0.43 -0.22 0.00 -0.92 0.00 0.00 57.85 57.17 1ned n ARG 93 Cb 0.32 -1.51 -0.13 0.00 0.45 0.00 0.00 32.46 31.59 1ned n ARG 93 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1ned n LYS 94 N -1.43 0.70 -2.07 -0.14 5.02 -0.22 -4.86 118.16 115.16 1ned n LYS 94 Ca 0.00 0.31 -0.42 0.00 -2.02 0.00 0.00 58.31 56.18 1ned n LYS 94 Cb 0.01 -1.68 -0.03 0.00 -0.02 0.00 0.00 35.03 33.31 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 -7.17 4.34 0.04 -0.35 1.02 -0.47 -5.00 118.68 111.09 1ned s LEU 95 Ca -0.26 2.30 0.08 0.00 0.02 0.00 0.00 54.13 56.27 1ned s LEU 95 Cb 0.07 -3.56 -0.03 0.00 0.02 0.00 0.00 46.19 42.70 1ned s LEU 95 CO 0.69 -0.81 -0.23 -0.70 0.02 0.00 0.00 176.35 175.32 1ned s GLU 96 N 2.61 1.61 -0.00 1.70 2.12 -1.26 -4.90 118.70 120.59 1ned s GLU 96 Ca 0.69 -1.00 -0.01 0.00 0.36 0.00 0.00 54.97 55.02 1ned s GLU 96 Cb -0.36 -1.73 0.00 0.00 0.26 0.00 0.00 34.13 32.30 1ned s GLU 96 CO 0.29 0.45 0.04 0.00 -0.54 0.00 0.00 175.26 175.50 1ned n ALA 97 N 1.90 -0.11 -3.43 6.30 0.00 -1.26 -4.71 120.51 119.21 1ned n ALA 97 Ca -0.17 -0.02 -0.13 0.00 0.00 0.00 0.00 53.44 53.12 1ned n ALA 97 Cb 0.53 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.84 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 1.00 -0.13 0.00 1.43 -1.12 -3.39 118.68 116.47 1ned s LEU 98 Ca 0.01 0.32 0.03 0.00 -1.03 0.00 0.00 54.13 53.46 1ned s LEU 98 Cb -0.00 0.47 0.00 0.00 0.03 0.00 0.00 46.19 46.69 1ned s LEU 98 CO -0.00 -0.11 -0.22 -0.76 0.23 0.00 0.00 176.35 175.49 1ned s LEU 99 N 0.70 2.14 -0.25 1.79 1.02 0.10 -0.82 118.68 123.37 1ned s LEU 99 Ca -0.05 -0.57 -0.08 0.00 0.02 0.00 0.00 54.13 53.45 1ned s LEU 99 Cb -0.07 -1.44 -0.03 0.00 0.02 0.00 0.00 46.19 44.67 1ned s LEU 99 CO -0.04 0.11 0.08 0.00 0.02 0.00 0.00 176.35 176.53 1ned s ALA 100 N 0.62 3.22 0.05 4.21 0.00 0.87 0.95 121.76 131.68 1ned s ALA 100 Ca -0.12 -1.10 0.03 0.00 0.00 0.00 0.00 51.96 50.78 1ned s ALA 100 Cb -0.16 -2.11 -0.02 0.00 0.00 0.00 0.00 23.12 20.82 1ned s ALA 100 CO 0.03 -0.44 -0.10 0.08 0.00 0.00 0.00 175.76 175.32 1ned s VAL 101 N 1.54 0.76 0.22 0.00 1.01 -0.57 0.12 120.40 123.48 1ned s VAL 101 Ca 0.06 -1.07 -0.22 0.00 0.00 0.00 0.00 61.98 60.75 1ned s VAL 101 Cb -0.15 -0.77 0.04 0.00 0.00 0.00 0.00 36.38 35.50 1ned s VAL 101 CO 0.04 -0.25 0.72 0.00 0.00 0.00 0.00 175.10 175.61 1ned s ALA 102 N -1.19 -1.39 0.00 5.51 0.00 -0.42 0.77 121.76 125.03 1ned s ALA 102 Ca -0.05 0.01 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1ned s ALA 102 Cb -0.09 0.82 0.00 0.00 0.00 0.00 0.00 23.12 23.85 1ned s ALA 102 CO 0.01 -0.95 0.00 -0.40 0.00 0.00 0.00 175.76 174.42 1ned n ASP 103 N -0.43 0.00 -0.28 0.00 5.75 -0.38 -0.63 116.55 120.58 1ned n ASP 103 Ca -0.08 -0.76 0.06 0.00 -0.01 0.00 0.00 54.79 53.99 1ned n ASP 103 Cb 0.61 0.00 0.20 0.00 -1.03 0.00 0.00 41.12 40.90 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 0.60 0.00 0.11 5.08 -1.96 -3.01 114.58 115.40 1ned h GLU 104 Ca 0.00 -0.04 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1ned h GLU 104 Cb 0.00 -0.14 0.00 0.00 0.50 0.00 0.00 28.75 29.11 1ned h GLU 104 CO 0.00 0.40 0.00 2.41 -1.00 0.00 0.00 179.01 180.82 1ned n THR 105 N -4.87 0.00 -2.56 1.13 -1.04 -1.26 -5.02 114.28 100.67 1ned n THR 105 Ca 0.16 0.91 0.00 0.00 -2.04 0.00 0.00 64.05 63.08 1ned n THR 105 Cb 0.39 -1.73 0.00 0.00 -1.82 0.00 0.00 70.33 67.17 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 -1.08 0.00 -2.67 2.41 0.00 -1.14 -5.13 120.51 112.90 1ned n ALA 109 Ca 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 53.44 53.25 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 0.76 1.45 -0.28 0.00 0.01 -1.26 -1.25 113.70 113.14 1ned s SER 110 Ca 0.00 -0.39 -0.21 0.00 1.31 0.00 0.00 55.95 56.66 1ned s SER 110 Cb 0.00 -0.10 0.08 0.00 0.21 0.00 0.00 66.02 66.21 1ned s SER 110 CO 0.00 0.04 0.74 -1.48 0.41 0.00 0.00 173.24 172.94 1ned s LEU 111 N -0.93 -0.81 0.18 2.44 0.05 0.23 -4.46 118.68 115.38 1ned s LEU 111 Ca 0.01 1.42 -0.28 0.00 0.05 0.00 0.00 54.13 55.33 1ned s LEU 111 Cb -0.07 2.37 -0.08 0.00 -2.05 0.00 0.00 46.19 46.36 1ned s LEU 111 CO 0.01 -0.23 0.86 -0.63 -0.55 0.00 0.00 176.35 175.80 1ned s ILE 112 N 0.95 4.30 -0.09 1.48 1.01 0.57 -1.52 121.20 127.90 1ned s ILE 112 Ca -0.04 1.88 -0.00 0.00 0.00 0.00 0.00 60.65 62.49 1ned s ILE 112 Cb -0.05 -4.23 0.02 0.00 0.01 0.00 0.00 42.46 38.22 1ned s ILE 112 CO -0.09 0.48 -0.05 -0.63 0.00 0.00 0.00 174.94 174.65 1ned s ILE 113 N -0.94 0.77 0.22 2.92 1.01 0.27 -0.19 121.20 125.26 1ned s ILE 113 Ca 0.39 -0.15 0.07 0.00 0.00 0.00 0.00 60.65 60.96 1ned s ILE 113 Cb -0.24 -0.83 -0.04 0.00 0.01 0.00 0.00 42.46 41.37 1ned s ILE 113 CO 0.29 0.32 0.16 0.42 0.00 0.00 0.00 174.94 176.12 1ned s THR 114 N 1.64 4.37 0.20 2.92 -4.23 -0.48 0.01 115.64 120.08 1ned s THR 114 Ca 0.02 -1.34 -0.06 0.00 -1.18 0.00 0.00 61.69 59.13 1ned s THR 114 Cb -0.13 -3.31 0.03 0.00 1.34 0.00 0.00 72.50 70.42 1ned s THR 114 CO -0.06 -0.27 1.61 1.23 -0.54 0.00 0.00 174.62 176.59 1ned h GLY 115 N 1.84 0.89 -0.88 3.99 0.00 -1.89 -2.97 103.07 104.05 1ned h GLY 115 Ca -0.48 -0.78 0.40 0.00 0.00 0.00 0.00 47.33 46.47 1ned h GLY 115 CO 0.61 0.71 0.86 -0.57 0.00 0.00 0.00 176.54 178.15 1ned h ASN 116 N 0.71 0.24 0.00 0.19 -1.24 -1.94 -3.16 115.58 110.38 1ned h ASN 116 Ca 0.09 0.10 0.00 0.00 0.71 0.00 0.00 56.30 57.20 1ned h ASN 116 Cb 0.76 0.08 0.00 0.00 0.73 0.00 0.00 38.32 39.89 1ned h ASN 116 CO 0.06 -0.09 0.00 0.61 -1.29 0.00 0.00 177.43 176.72 1ned n GLY 117 N -1.57 0.94 3.25 1.57 0.00 -1.12 -4.74 105.19 103.52 1ned n GLY 117 Ca 0.34 -0.70 0.04 0.00 0.00 0.00 0.00 46.02 45.70 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 -0.43 -0.17 1.61 1.01 -1.25 -4.96 116.67 112.49 1ned s ASP 118 Ca 0.00 0.44 -0.02 0.00 0.71 0.00 0.00 52.55 53.68 1ned s ASP 118 Cb 0.00 1.43 -0.01 0.00 1.01 0.00 0.00 42.92 45.35 1ned s ASP 118 CO 0.00 -0.08 -0.10 -0.69 0.21 0.00 0.00 175.17 174.51 1ned s VAL 119 N 2.58 3.11 -0.01 -1.27 1.01 -1.26 -1.38 120.40 123.18 1ned s VAL 119 Ca -0.01 -0.61 0.01 0.00 0.00 0.00 0.00 61.98 61.37 1ned s VAL 119 Cb -0.07 -2.35 0.01 0.00 0.00 0.00 0.00 36.38 33.97 1ned s VAL 119 CO -0.15 0.49 -0.03 -0.69 0.00 0.00 0.00 175.10 174.72 1ned s VAL 120 N 0.87 0.30 -0.32 2.92 1.01 0.73 -4.96 120.40 120.95 1ned s VAL 120 Ca -0.03 -0.11 -0.15 0.00 0.00 0.00 0.00 61.98 61.70 1ned s VAL 120 Cb -0.15 -0.29 -0.02 0.00 0.00 0.00 0.00 36.38 35.92 1ned s VAL 120 CO 0.00 0.11 0.35 0.00 0.00 0.00 0.00 175.10 175.57 1ned s GLN 121 N 0.25 3.68 1.40 2.72 -2.07 -1.26 -0.31 119.66 124.07 1ned s GLN 121 Ca -0.02 -0.31 -0.23 0.00 -1.82 0.00 0.00 55.36 52.97 1ned s GLN 121 Cb -0.06 -3.76 0.36 0.00 -1.09 0.00 0.00 33.01 28.46 1ned s GLN 121 CO -0.00 -0.45 0.97 -1.25 -1.32 0.00 0.00 175.29 173.24 1ned s PRO 122 N 2.02 -2.78 0.00 9.60 0.04 -1.26 -4.87 135.00 137.75 1ned s PRO 122 Ca 0.12 -0.03 0.17 0.00 0.04 0.00 0.00 61.00 61.30 1ned s PRO 122 Cb -0.16 -1.41 1.04 0.00 0.04 0.00 0.00 34.50 34.01 1ned s PRO 122 CO 0.11 -4.74 1.45 0.39 0.04 0.00 0.00 177.00 174.25 1ned n GLU 123 N -5.50 0.59 -0.95 4.56 1.02 -1.26 -3.82 120.64 115.27 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 -1.47 -0.02 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 -0.97 -0.53 -1.66 1.62 5.03 -1.26 -4.92 115.26 112.58 1ned n ASN 12 Ca 0.13 -1.09 -0.16 0.00 0.87 0.00 0.00 54.58 54.34 1ned n ASN 12 Cb 0.06 0.18 -0.06 0.00 -1.02 0.00 0.00 39.78 38.94 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 -0.12 -4.32 -4.32 6.41 8.00 -1.25 -4.65 116.55 116.31 1ned n ASP 12 Ca -0.13 0.34 -0.46 0.00 0.71 0.00 0.00 54.79 55.25 1ned n ASP 12 Cb 0.51 -3.87 -0.02 0.00 -0.02 0.00 0.00 41.12 37.72 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 -4.45 6.52 -0.20 0.64 2.96 -1.26 -3.47 118.68 119.42 1ned s LEU 124 Ca 0.00 -3.04 -0.18 0.00 -0.22 0.00 0.00 54.13 50.69 1ned s LEU 124 Cb 0.00 -2.19 -0.03 0.00 0.50 0.00 0.00 46.19 44.47 1ned s LEU 124 CO 0.00 -0.45 0.50 -0.63 -1.32 0.00 0.00 176.35 174.44 1ned s ILE 125 N -0.38 5.12 -0.10 6.68 1.01 -1.02 -4.72 121.20 127.79 1ned s ILE 125 Ca 0.23 0.90 -0.01 0.00 0.00 0.00 0.00 60.65 61.77 1ned s ILE 125 Cb -0.10 -3.82 0.03 0.00 0.01 0.00 0.00 42.46 38.58 1ned s ILE 125 CO -0.09 0.18 -0.02 0.00 0.00 0.00 0.00 174.94 175.02 1ned s ALA 126 N 1.63 0.95 0.28 9.38 0.00 -1.26 -0.26 121.76 132.49 1ned s ALA 126 Ca 0.23 -0.35 0.04 0.00 0.00 0.00 0.00 51.96 51.87 1ned s ALA 126 Cb -0.15 -0.87 -0.03 0.00 0.00 0.00 0.00 23.12 22.06 1ned s ALA 126 CO 0.09 -0.56 0.21 0.96 0.00 0.00 0.00 175.76 176.46 1ned s ILE 127 N 1.87 0.06 0.00 0.00 -4.36 -0.75 -4.65 121.20 113.36 1ned s ILE 127 Ca 0.04 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.43 1ned s ILE 127 Cb -0.13 -2.50 0.00 0.00 1.25 0.00 0.00 42.46 41.08 1ned s ILE 127 CO -0.07 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.72 1ned n GLY 128 N -0.49 -0.58 0.36 6.27 0.00 -1.26 -2.07 105.19 107.41 1ned n GLY 128 Ca 0.04 -1.70 0.04 0.00 0.00 0.00 0.00 46.02 44.40 1ned n GLY 128 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 1ned n SER 129 N -1.44 -0.43 -0.10 1.61 3.41 0.20 0.12 113.62 116.98 1ned n SER 129 Ca 0.00 1.69 0.13 0.00 -0.26 0.00 0.00 58.87 60.43 1ned n SER 129 Cb 0.00 -0.48 0.37 0.00 -0.26 0.00 0.00 64.21 63.84 1ned n SER 129 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1ned n GLY 130 N -1.57 -1.02 0.24 5.00 0.00 -1.23 -4.48 105.19 102.13 1ned n GLY 130 Ca 0.14 -0.34 -0.03 0.00 0.00 0.00 0.00 46.02 45.79 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 1.42 -1.37 0.17 -0.02 0.00 0.12 0.14 105.19 105.64 1ned n GLY 131 Ca 0.09 0.69 -0.06 0.00 0.00 0.00 0.00 46.02 46.74 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 -0.04 0.41 1.61 0.11 -1.78 0.61 132.00 132.91 1ned h PRO 132 Ca 0.16 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.26 1ned h PRO 132 Cb 0.31 0.01 -0.02 0.00 0.11 0.00 0.00 31.00 31.41 1ned h PRO 132 CO -0.58 -0.03 -0.46 1.88 -0.21 0.00 0.00 178.00 178.60 1ned h TYR 133 N -0.05 -1.28 -0.27 0.65 0.05 0.90 -1.49 116.97 115.48 1ned h TYR 133 Ca 0.16 0.01 0.06 0.00 0.05 0.00 0.00 58.73 59.01 1ned h TYR 133 Cb 0.28 0.50 -0.08 0.00 1.01 0.00 0.00 36.73 38.45 1ned h TYR 133 CO -0.32 -0.60 -0.39 0.00 -1.05 0.00 0.00 178.16 175.80 1ned h ALA 134 N -0.96 -0.42 -0.90 3.88 0.00 -1.05 -0.81 119.26 118.99 1ned h ALA 134 Ca -0.05 0.04 0.13 0.00 0.00 0.00 0.00 54.91 55.03 1ned h ALA 134 Cb 0.78 0.78 -0.14 0.00 0.00 0.00 0.00 17.79 19.20 1ned h ALA 134 CO -0.08 -0.85 -0.38 0.94 0.00 0.00 0.00 179.25 178.89 1ned n GLN 135 N -5.42 -0.24 0.04 0.00 7.27 0.19 0.16 117.38 119.38 1ned n GLN 135 Ca -0.02 1.38 -0.08 0.00 0.07 0.00 0.00 57.00 58.36 1ned n GLN 135 Cb 0.35 -2.05 -0.05 0.00 2.41 0.00 0.00 30.24 30.90 1ned n GLN 135 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 1ned h ALA 136 N 1.14 -0.75 -0.05 1.69 0.00 -0.12 0.79 119.26 121.97 1ned h ALA 136 Ca 0.29 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.17 1ned h ALA 136 Cb 0.52 0.69 -0.04 0.00 0.00 0.00 0.00 17.79 18.96 1ned h ALA 136 CO -0.89 -0.82 -0.33 0.00 0.00 0.00 0.00 179.25 177.22 1ned h ALA 137 N -1.03 -0.74 -0.67 0.00 0.00 0.04 0.37 119.26 117.22 1ned h ALA 137 Ca 0.00 -0.04 0.06 0.00 0.00 0.00 0.00 54.91 54.93 1ned h ALA 137 Cb 0.36 0.81 -0.08 0.00 0.00 0.00 0.00 17.79 18.88 1ned h ALA 137 CO -0.15 -0.85 -0.40 0.00 0.00 0.00 0.00 179.25 177.85 1ned n ALA 138 N -2.81 -0.43 -0.23 0.00 0.00 0.12 -0.55 120.51 116.62 1ned n ALA 138 Ca -0.04 0.57 -0.10 0.00 0.00 0.00 0.00 53.44 53.87 1ned n ALA 138 Cb 0.23 0.06 -0.08 0.00 0.00 0.00 0.00 19.45 19.67 1ned n ALA 138 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1ned h ARG 139 N 0.00 -0.14 -0.87 0.00 9.65 0.14 0.26 114.38 123.42 1ned h ARG 139 Ca 0.11 0.01 0.18 0.00 -1.10 0.00 0.00 59.98 59.18 1ned h ARG 139 Cb 0.28 0.03 -0.16 0.00 -1.39 0.00 0.00 29.97 28.73 1ned h ARG 139 CO -0.63 -0.10 -0.16 0.00 2.80 0.00 0.00 179.97 181.88 1ned h ALA 140 N -0.06 0.67 0.24 2.80 0.00 0.23 0.46 119.26 123.60 1ned h ALA 140 Ca 0.09 0.33 -0.01 0.00 0.00 0.00 0.00 54.91 55.32 1ned h ALA 140 Cb 0.39 0.62 0.00 0.00 0.00 0.00 0.00 17.79 18.81 1ned h ALA 140 CO -0.61 -0.42 -0.12 -0.07 0.00 0.00 0.00 179.25 178.03 1ned h LEU 141 N 0.01 -0.28 -1.86 0.00 4.07 0.17 0.18 115.31 117.60 1ned h LEU 141 Ca 0.44 0.01 0.43 0.00 0.08 0.00 0.00 57.88 58.84 1ned h LEU 141 Cb 0.71 0.07 -0.06 0.00 1.08 0.00 0.00 40.66 42.47 1ned h LEU 141 CO -0.87 -0.20 1.16 0.25 -1.08 0.00 0.00 178.44 177.70 1ned h LEU 142 N -0.33 0.00 0.00 1.67 5.85 0.10 0.22 115.31 122.83 1ned h LEU 142 Ca -0.03 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.69 1ned h LEU 142 Cb 0.25 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.28 1ned h LEU 142 CO 0.05 0.00 -0.03 -0.33 -0.34 0.00 0.00 178.44 177.79 1ned h GLU 143 N 0.00 0.00 -0.89 1.25 4.39 0.30 -3.40 114.58 116.23 1ned h GLU 143 Ca 0.71 0.00 -0.27 0.00 0.34 0.00 0.00 59.36 60.14 1ned h GLU 143 Cb 3.02 0.00 -0.16 0.00 -0.10 0.00 0.00 28.75 31.51 1ned h GLU 143 CO -0.01 0.00 0.34 0.09 -1.16 0.00 0.00 179.01 178.27 1ned n ASN 144 N -3.65 3.97 -3.63 1.42 4.13 0.58 -4.93 115.26 113.15 1ned n ASN 144 Ca -0.00 -3.08 -0.02 0.00 1.68 0.00 0.00 54.58 53.16 1ned n ASN 144 Cb 0.02 -0.73 -0.00 0.00 -1.54 0.00 0.00 39.78 37.53 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 -2.51 0.00 0.00 3.41 -1.32 0.63 -4.98 115.64 110.86 1ned s THR 145 Ca 0.44 -0.56 0.00 0.00 -1.21 0.00 0.00 61.69 60.36 1ned s THR 145 Cb 0.36 -2.26 0.00 0.00 -1.51 0.00 0.00 72.50 69.09 1ned s THR 145 CO 0.10 0.00 0.00 -1.84 -2.21 0.00 0.00 174.62 170.67 1ned n GLU 146 N -0.55 0.00 -0.69 7.08 0.28 -1.26 -4.40 120.64 121.10 1ned n GLU 146 Ca -0.05 0.00 0.09 0.00 -0.16 0.00 0.00 57.16 57.04 1ned n GLU 146 Cb 0.61 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 33.45 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 -4.91 -1.84 4.77 -1.26 -4.74 117.00 109.01 1ned n LEU 147 Ca 0.00 0.74 -0.20 0.00 -0.03 0.00 0.00 56.01 56.52 1ned n LEU 147 Cb 0.00 -2.08 -0.02 0.00 -2.33 0.00 0.00 43.42 38.99 1ned n LEU 147 CO 0.00 -1.53 -0.01 -0.94 -1.33 0.00 0.00 177.39 173.58 1ned s SER 150 N -4.84 5.56 0.17 -1.43 1.04 -1.26 -4.95 113.70 107.99 1ned s SER 150 Ca 0.00 -0.39 -0.15 0.00 0.48 0.00 0.00 55.95 55.90 1ned s SER 150 Cb 0.00 -1.04 0.14 0.00 0.10 0.00 0.00 66.02 65.22 1ned s SER 150 CO 0.00 -0.42 1.71 0.00 0.98 0.00 0.00 173.24 175.51 1ned h ALA 151 N 1.07 0.45 0.11 5.32 0.00 -1.88 -0.84 119.26 123.49 1ned h ALA 151 Ca -0.45 0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.57 1ned h ALA 151 Cb 1.26 0.16 -0.02 0.00 0.00 0.00 0.00 17.79 19.19 1ned h ALA 151 CO 0.56 -0.35 -0.23 -0.09 0.00 0.00 0.00 179.25 179.13 1ned h ARG 152 N 0.17 -0.35 -0.66 0.00 9.65 -1.93 0.38 114.38 121.64 1ned h ARG 152 Ca 0.22 0.02 0.12 0.00 -1.10 0.00 0.00 59.98 59.24 1ned h ARG 152 Cb 0.29 0.08 -0.12 0.00 -1.39 0.00 0.00 29.97 28.83 1ned h ARG 152 CO -0.32 -0.24 -0.26 0.93 2.80 0.00 0.00 179.97 182.88 1ned h GLU 153 N -0.37 -0.08 0.42 0.20 5.08 -1.83 0.25 114.58 118.24 1ned h GLU 153 Ca -0.01 0.01 -0.01 0.00 -1.00 0.00 0.00 59.36 58.34 1ned h GLU 153 Cb 0.35 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.60 1ned h GLU 153 CO -0.09 -0.05 -0.43 0.82 -1.00 0.00 0.00 179.01 178.25 1ned h ILE 154 N -0.09 0.00 -0.43 3.13 2.04 -0.82 0.56 117.51 121.91 1ned h ILE 154 Ca 0.29 0.00 0.07 0.00 1.00 0.00 0.00 64.86 66.22 1ned h ILE 154 Cb 0.54 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.53 1ned h ILE 154 CO -0.71 0.00 -0.41 0.00 0.00 0.00 0.00 178.15 177.03 1ned h ALA 155 N -1.03 -0.37 -0.05 1.87 0.00 -0.28 0.28 119.26 119.67 1ned h ALA 155 Ca -0.05 0.08 0.03 0.00 0.00 0.00 0.00 54.91 54.96 1ned h ALA 155 Cb 0.74 0.87 -0.06 0.00 0.00 0.00 0.00 17.79 19.34 1ned h ALA 155 CO -0.06 -0.84 -0.51 1.49 0.00 0.00 0.00 179.25 179.33 1ned h GLU 156 N -0.30 -0.60 -0.33 0.00 4.81 -0.59 0.53 114.58 118.10 1ned h GLU 156 Ca 0.15 0.04 0.04 0.00 -0.13 0.00 0.00 59.36 59.46 1ned h GLU 156 Cb 0.58 0.14 -0.07 0.00 0.63 0.00 0.00 28.75 30.02 1ned h GLU 156 CO -0.59 -0.40 -0.51 0.87 -0.73 0.00 0.00 179.01 177.66 1ned h LYS 157 N -0.62 -0.38 0.51 1.92 6.56 0.12 0.10 116.57 124.78 1ned h LYS 157 Ca 0.03 0.03 -0.02 0.00 -1.06 0.00 0.00 60.65 59.63 1ned h LYS 157 Cb 0.70 0.09 -0.01 0.00 -0.57 0.00 0.00 32.23 32.43 1ned h LYS 157 CO -0.38 -0.25 -0.37 0.00 -2.06 0.00 0.00 179.45 176.39 1ned h ALA 158 N -0.20 -0.88 -0.02 3.86 0.00 0.26 -0.83 119.26 121.44 1ned h ALA 158 Ca 0.06 -0.16 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1ned h ALA 158 Cb 0.56 0.49 -0.00 0.00 0.00 0.00 0.00 17.79 18.83 1ned h ALA 158 CO -0.52 -1.02 0.36 1.25 0.00 0.00 0.00 179.25 179.32 1ned h LEU 159 N -0.86 0.00 0.08 0.00 5.85 0.36 0.15 115.31 120.89 1ned h LEU 159 Ca -0.06 0.00 -0.00 0.00 0.84 0.00 0.00 57.88 58.66 1ned h LEU 159 Cb 0.72 0.00 0.00 0.00 0.37 0.00 0.00 40.66 41.75 1ned h LEU 159 CO 0.02 0.00 -0.04 0.44 -0.34 0.00 0.00 178.44 178.52 1ned h ASP 160 N 0.00 -0.09 -0.95 1.25 3.32 0.38 -3.34 116.42 116.99 1ned h ASP 160 Ca 0.01 0.00 0.29 0.00 0.02 0.00 0.00 57.03 57.35 1ned h ASP 160 Cb 0.72 0.02 -0.17 0.00 0.22 0.00 0.00 39.33 40.13 1ned h ASP 160 CO -0.00 0.16 0.22 0.40 -1.72 0.00 0.00 179.24 178.30 1ned h ILE 161 N -0.55 0.14 -0.20 0.35 2.04 0.12 0.18 117.51 119.59 1ned h ILE 161 Ca -0.01 -0.03 0.02 0.00 1.00 0.00 0.00 64.86 65.84 1ned h ILE 161 Cb 0.08 0.04 -0.03 0.00 -0.74 0.00 0.00 36.82 36.17 1ned h ILE 161 CO 0.02 0.02 -0.17 0.00 0.00 0.00 0.00 178.15 178.02 1ned h ALA 162 N 1.90 -0.30 -0.02 1.87 0.00 -0.95 0.47 119.26 122.24 1ned h ALA 162 Ca 0.63 0.02 0.01 0.00 0.00 0.00 0.00 54.91 55.56 1ned h ALA 162 Cb 1.38 0.97 -0.00 0.00 0.00 0.00 0.00 17.79 20.14 1ned h ALA 162 CO -0.78 -0.40 0.20 0.78 0.00 0.00 0.00 179.25 179.06 1ned h GLY 163 N -0.06 0.00 2.00 0.00 0.00 -1.08 0.75 103.07 104.69 1ned h GLY 163 Ca 0.03 0.00 -0.06 0.00 0.00 0.00 0.00 47.33 47.31 1ned h GLY 163 CO -0.22 0.00 -0.28 -0.55 0.00 0.00 0.00 176.54 175.49 1ned h ASP 164 N 0.00 0.00 0.00 0.19 3.32 0.16 -3.37 116.42 116.72 1ned h ASP 164 Ca 0.01 0.00 -0.12 0.00 0.02 0.00 0.00 57.03 56.94 1ned h ASP 164 Cb 0.41 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 39.95 1ned h ASP 164 CO -0.00 0.28 -1.21 -0.38 -1.72 0.00 0.00 179.24 176.21 1ned n ILE 165 N -3.47 1.31 -2.44 0.35 5.41 0.24 -4.93 119.36 115.83 1ned n ILE 165 Ca -0.00 0.04 -0.43 0.00 1.00 0.00 0.00 62.75 63.36 1ned n ILE 165 Cb 0.45 -2.01 -0.02 0.00 -0.71 0.00 0.00 39.64 37.35 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 6.39 0.71 0.00 0.00 -0.00 -1.87 -0.11 117.51 122.63 1ned h ILE 167 Ca -0.26 -0.14 0.00 0.00 -0.00 0.00 0.00 64.86 64.46 1ned h ILE 167 Cb 1.09 0.27 0.00 0.00 -0.00 0.00 0.00 36.82 38.18 1ned h ILE 167 CO 1.10 0.07 0.00 -1.22 -0.00 0.00 0.00 178.15 178.11 1ned n TYR 168 N -4.50 0.00 -4.51 0.16 4.01 -1.26 -4.69 117.16 106.38 1ned n TYR 168 Ca 0.18 0.00 -0.34 0.00 -0.16 0.00 0.00 57.90 57.58 1ned n TYR 168 Cb 0.65 0.00 -0.10 0.00 -0.31 0.00 0.00 39.34 39.57 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 -2.00 3.97 -0.02 -0.72 2.01 -0.05 0.11 115.64 118.94 1ned s THR 169 Ca 0.22 -0.39 -0.17 0.00 0.31 0.00 0.00 61.69 61.66 1ned s THR 169 Cb 0.10 -2.65 -0.09 0.00 0.01 0.00 0.00 72.50 69.87 1ned s THR 169 CO 0.17 0.59 0.73 -1.13 -0.69 0.00 0.00 174.62 174.29 1ned h ASN 170 N 5.17 -0.52 0.00 3.53 -0.73 -1.86 -3.42 115.58 117.75 1ned h ASN 170 Ca -0.50 0.02 0.00 0.00 1.87 0.00 0.00 56.30 57.69 1ned h ASN 170 Cb 1.18 0.14 0.00 0.00 0.27 0.00 0.00 38.32 39.91 1ned h ASN 170 CO 0.53 -0.12 0.00 1.41 -0.37 0.00 0.00 177.43 178.88 1ned n HIS 171 N -5.08 0.00 -2.52 0.67 8.25 -1.26 -4.91 115.22 110.36 1ned n HIS 171 Ca -0.08 0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 56.95 1ned n HIS 171 Cb 0.24 0.00 -0.02 0.00 1.12 0.00 0.00 29.99 31.33 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 -2.59 2.94 -0.36 4.41 5.36 -1.26 -5.00 117.98 121.48 1ned s PHE 172 Ca 0.00 1.06 -0.15 0.00 -0.96 0.00 0.00 56.93 56.88 1ned s PHE 172 Cb 0.00 -3.72 -0.00 0.00 -0.34 0.00 0.00 43.02 38.96 1ned s PHE 172 CO 0.00 -1.25 0.34 -1.01 -1.46 0.00 0.00 175.22 171.84 1ned s HIS 173 N 3.87 3.21 -0.23 10.12 3.76 -1.26 -3.05 115.29 131.71 1ned s HIS 173 Ca 0.51 -0.20 -0.12 0.00 -0.15 0.00 0.00 55.06 55.10 1ned s HIS 173 Cb -0.15 -2.65 -0.05 0.00 1.11 0.00 0.00 32.58 30.84 1ned s HIS 173 CO 0.18 -0.48 0.25 0.99 -0.85 0.00 0.00 174.74 174.83 1ned s THR 174 N 1.93 5.30 0.09 1.30 2.01 -0.64 -4.97 115.64 120.65 1ned s THR 174 Ca 0.10 0.37 0.04 0.00 0.31 0.00 0.00 61.69 62.50 1ned s THR 174 Cb -0.17 -3.59 -0.03 0.00 0.01 0.00 0.00 72.50 68.72 1ned s THR 174 CO 0.11 0.30 -0.10 0.27 -0.69 0.00 0.00 174.62 174.51 1ned s ILE 175 N 1.24 0.92 -0.13 1.82 -5.25 -1.26 -1.78 121.20 116.76 1ned s ILE 175 Ca 0.12 -1.54 -0.05 0.00 -0.99 0.00 0.00 60.65 58.18 1ned s ILE 175 Cb -0.14 -1.25 0.06 0.00 2.95 0.00 0.00 42.46 44.08 1ned s ILE 175 CO 0.06 -0.50 0.28 -1.61 -1.79 0.00 0.00 174.94 171.39 1ned s GLU 176 N -2.54 0.19 -0.02 0.37 0.41 -0.69 -5.02 118.70 111.41 1ned s GLU 176 Ca 0.03 0.73 0.03 0.00 -0.41 0.00 0.00 54.97 55.35 1ned s GLU 176 Cb -0.04 -0.01 -0.00 0.00 -1.78 0.00 0.00 34.13 32.29 1ned s GLU 176 CO 0.00 -0.25 -0.09 -1.83 -0.49 0.00 0.00 175.26 172.61 1ned s GLU 177 N 2.11 0.82 -0.08 1.61 -1.05 -1.26 -1.35 118.70 119.49 1ned s GLU 177 Ca -0.02 -0.31 0.03 0.00 -0.15 0.00 0.00 54.97 54.52 1ned s GLU 177 Cb -0.11 -0.78 0.01 0.00 -0.44 0.00 0.00 34.13 32.80 1ned s GLU 177 CO -0.09 0.15 -0.17 -0.48 0.95 0.00 0.00 175.26 175.62 1ned s LEU 178 N -0.02 1.81 0.40 1.83 0.05 -0.55 -4.98 118.68 117.23 1ned s LEU 178 Ca 0.00 -0.40 -0.00 0.00 0.05 0.00 0.00 54.13 53.78 1ned s LEU 178 Cb -0.06 -1.06 -0.02 0.00 -2.05 0.00 0.00 46.19 43.00 1ned s LEU 178 CO -0.00 0.08 0.62 -0.44 -0.55 0.00 0.00 176.35 176.05 1ned s SER 179 N 0.58 6.14 0.00 1.48 0.01 -1.26 -1.82 113.70 118.83 1ned s SER 179 Ca -0.15 0.45 0.00 0.00 1.31 0.00 0.00 55.95 57.55 1ned s SER 179 Cb -0.17 -1.89 0.00 0.00 0.21 0.00 0.00 66.02 64.18 1ned s SER 179 CO 0.05 -0.46 0.00 0.00 0.41 0.00 0.00 173.24 173.24 1ned n TYR 180 N -1.94 0.00 0.00 2.43 4.11 -0.65 -4.96 117.16 116.15 1ned n TYR 180 Ca -0.02 0.00 0.00 0.00 -0.00 0.00 0.00 57.90 57.88 1ned n TYR 180 Cb 0.57 0.06 0.00 0.00 -0.00 0.00 0.00 39.34 39.96 1ned n TYR 180 CO 0.00 0.00 0.00 1.17 -0.00 0.00 0.00 176.86 178.03 1ned n LYS 181 N 0.00 0.00 -0.47 -3.48 4.81 -1.26 -5.06 118.16 112.70 1ned n LYS 181 Ca 0.00 0.00 -0.22 0.00 -0.87 0.00 0.00 58.31 57.22 1ned n LYS 181 Cb 0.26 0.00 -0.04 0.00 0.02 0.00 0.00 35.03 35.27 1ned n LYS 181 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1ned n ALA 182 N 0.00 0.06 -1.64 3.14 0.00 -1.26 -4.23 120.51 116.58 1ned n ALA 182 Ca 0.00 0.07 0.00 0.00 0.00 0.00 0.00 53.44 53.51 1ned n ALA 182 Cb 0.00 -0.77 0.00 0.00 0.00 0.00 0.00 19.45 18.68 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 2.75 3.32 0.00 0.00 1.02 -1.26 -4.79 120.64 121.68 1ned n GLU 183 Ca 0.20 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.34 1ned n GLU 183 Cb -0.02 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.40 1ned n GLU 183 CO 0.00 0.00 0.00 1.19 1.18 0.00 0.00 177.13 179.50 1ned n PHE 184 N 0.00 0.00 -3.17 -0.32 3.01 -1.26 -4.82 117.46 110.90 1ned n PHE 184 Ca 0.00 0.00 -0.05 0.00 1.01 0.00 0.00 57.45 58.41 1ned n PHE 184 Cb 0.00 0.00 -0.02 0.00 -0.01 0.00 0.00 39.48 39.45 1ned n PHE 184 CO 0.00 0.00 0.00 -1.01 1.01 0.00 0.00 176.76 176.76 1ned s HIS 185 N -2.00 -1.27 -0.03 1.38 4.02 -1.26 -5.13 115.29 111.00 1ned s HIS 185 Ca 0.00 -0.25 -0.03 0.00 1.02 0.00 0.00 55.06 55.80 1ned s HIS 185 Cb 0.00 0.11 -0.04 0.00 -1.02 0.00 0.00 32.58 31.63 1ned s HIS 185 CO 0.00 -1.14 0.14 -1.01 1.02 0.00 0.00 174.74 173.76 1ned s HIS 186 N 1.49 3.48 -0.31 1.40 3.76 -1.26 -5.11 115.29 118.74 1ned s HIS 186 Ca 0.20 0.34 0.03 0.00 -0.15 0.00 0.00 55.06 55.47 1ned s HIS 186 Cb -0.05 -1.82 0.09 0.00 1.11 0.00 0.00 32.58 31.90 1ned s HIS 186 CO -0.06 0.63 0.01 -1.01 -0.85 0.00 0.00 174.74 173.47 1ned s HIS 187 N -1.23 3.23 0.00 1.40 4.02 -1.26 -5.36 115.29 116.09 1ned s HIS 187 Ca 0.24 -2.56 0.00 0.00 1.02 0.00 0.00 55.06 53.76 1ned s HIS 187 Cb -0.12 -2.41 0.00 0.00 -1.02 0.00 0.00 32.58 29.02 1ned s HIS 187 CO 0.15 -0.91 0.00 -2.39 1.02 0.00 0.00 174.74 172.61