#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1lof s GLU 2 N 0.00 0.23 -0.01 -2.82 2.02 -1.26 -5.17 118.70 111.70 1lof s GLU 2 Ca 0.00 0.38 0.02 0.00 0.02 0.00 0.00 54.97 55.39 1lof s GLU 2 Cb 0.00 0.03 0.00 0.00 0.10 0.00 0.00 34.13 34.26 1lof s GLU 2 CO 0.00 -0.08 -0.05 0.99 0.02 0.00 0.00 175.26 176.14 1lof s THR 3 N 0.53 0.45 -0.07 3.63 2.01 -1.26 -5.07 115.64 115.85 1lof s THR 3 Ca -0.03 -0.21 0.01 0.00 0.31 0.00 0.00 61.69 61.77 1lof s THR 3 Cb -0.05 -0.40 0.02 0.00 0.01 0.00 0.00 72.50 72.08 1lof s THR 3 CO -0.03 0.14 -0.08 -0.89 -0.69 0.00 0.00 174.62 173.07 1lof s THR 4 N 0.06 0.90 0.04 -0.82 2.01 -1.26 -5.12 115.64 111.45 1lof s THR 4 Ca -0.00 -0.30 -0.01 0.00 0.31 0.00 0.00 61.69 61.68 1lof s THR 4 Cb -0.04 -0.88 -0.03 0.00 0.01 0.00 0.00 72.50 71.56 1lof s THR 4 CO -0.00 0.32 -0.02 -0.44 -0.69 0.00 0.00 174.62 173.78 1lof s SER 5 N 1.04 0.40 -0.01 3.53 0.01 -1.26 -5.10 113.70 112.31 1lof s SER 5 Ca -0.08 -0.84 -0.29 0.00 1.31 0.00 0.00 55.95 56.05 1lof s SER 5 Cb -0.14 0.18 0.10 0.00 0.21 0.00 0.00 66.02 66.36 1lof s SER 5 CO -0.00 -0.51 0.98 0.72 0.41 0.00 0.00 173.24 174.83 1lof s PHE 6 N -3.18 -0.25 -0.17 2.43 -0.12 -1.26 -5.17 117.98 110.26 1lof s PHE 6 Ca 0.00 0.11 -0.14 0.00 -0.05 0.00 0.00 56.93 56.84 1lof s PHE 6 Cb 0.03 0.55 0.05 0.00 -0.63 0.00 0.00 43.02 43.01 1lof s PHE 6 CO -0.07 -0.51 0.45 -1.54 -0.05 0.00 0.00 175.22 173.49 1lof s SER 7 N -2.53 -0.49 -0.17 1.98 1.04 -1.26 -5.12 113.70 107.15 1lof s SER 7 Ca 0.08 0.92 0.00 0.00 0.48 0.00 0.00 55.95 57.43 1lof s SER 7 Cb -0.01 0.90 0.04 0.00 0.10 0.00 0.00 66.02 67.05 1lof s SER 7 CO -0.06 -0.17 -0.08 -0.63 0.98 0.00 0.00 173.24 173.28 1lof s ILE 8 N 0.50 1.32 -0.13 -1.02 1.01 -1.26 -5.02 121.20 116.60 1lof s ILE 8 Ca -0.02 -0.71 0.18 0.00 0.00 0.00 0.00 60.65 60.10 1lof s ILE 8 Cb -0.04 -1.42 -0.13 0.00 0.01 0.00 0.00 42.46 40.88 1lof s ILE 8 CO -0.03 0.21 0.81 0.41 0.00 0.00 0.00 174.94 176.34 1lof n THR 9 N 4.81 1.10 -3.68 2.92 -1.04 -1.26 -4.85 114.28 112.28 1lof n THR 9 Ca -0.13 -0.68 -0.11 0.00 -2.04 0.00 0.00 64.05 61.09 1lof n THR 9 Cb 0.48 -0.67 -0.11 0.00 -1.82 0.00 0.00 70.33 68.21 1lof n THR 9 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1lof s LYS 10 N -2.97 0.27 0.36 -2.82 1.02 -1.26 -5.08 119.74 109.26 1lof s LYS 10 Ca -0.03 0.81 -0.14 0.00 0.02 0.00 0.00 55.97 56.63 1lof s LYS 10 Cb 0.09 0.07 -0.08 0.00 -0.52 0.00 0.00 37.83 37.38 1lof s LYS 10 CO 0.81 -0.22 0.78 -0.06 -0.92 0.00 0.00 175.35 175.74 1lof s PHE 11 N 2.04 3.39 0.22 3.18 0.40 -1.02 -4.99 117.98 121.19 1lof s PHE 11 Ca -0.04 1.22 0.00 0.00 -0.60 0.00 0.00 56.93 57.52 1lof s PHE 11 Cb -0.11 -2.56 -0.05 0.00 0.51 0.00 0.00 43.02 40.82 1lof s PHE 11 CO -0.11 -0.00 0.10 0.20 0.70 0.00 0.00 175.22 176.11 1lof s GLY 12 N -2.53 1.53 0.40 4.36 0.00 -1.26 -3.62 107.32 106.20 1lof s GLY 12 Ca 0.54 -1.75 0.16 0.00 0.00 0.00 0.00 44.72 43.67 1lof s GLY 12 CO 0.21 -1.50 1.84 -0.56 0.00 0.00 0.00 173.10 173.09 1lof h PRO 13 N 2.53 0.44 -3.03 2.90 0.13 -1.97 -2.73 132.00 130.28 1lof h PRO 13 Ca -0.37 -0.03 -0.62 0.00 -0.87 0.00 0.00 66.00 64.11 1lof h PRO 13 Cb 1.24 -0.10 -0.41 0.00 0.13 0.00 0.00 31.00 31.86 1lof h PRO 13 CO 0.58 0.29 -0.65 0.34 -0.23 0.00 0.00 178.00 178.33 1lof s ASP 14 N -5.57 4.21 -1.25 1.44 2.15 -1.26 -4.85 116.67 111.55 1lof s ASP 14 Ca -0.09 -3.52 -0.09 0.00 0.43 0.00 0.00 52.55 49.29 1lof s ASP 14 Cb 0.23 -1.43 0.19 0.00 -0.30 0.00 0.00 42.92 41.61 1lof s ASP 14 CO 0.79 -0.13 1.82 1.67 -0.17 0.00 0.00 175.17 179.14 1lof n GLN 15 N 2.40 3.76 0.00 4.34 -0.06 -1.03 -4.88 117.38 121.90 1lof n GLN 15 Ca 0.18 -3.68 0.00 0.00 -2.00 0.00 0.00 57.00 51.50 1lof n GLN 15 Cb 0.36 -2.86 0.00 0.00 -4.06 0.00 0.00 30.24 23.68 1lof n GLN 15 CO 0.00 0.00 0.00 1.04 -0.20 0.00 0.00 177.06 177.90 1lof n GLN 16 N 3.46 0.00 -0.76 3.69 6.02 -1.26 -2.66 117.38 125.87 1lof n GLN 16 Ca 0.38 0.46 0.08 0.00 -0.01 0.00 0.00 57.00 57.90 1lof n GLN 16 Cb 0.36 -1.50 0.38 0.00 1.02 0.00 0.00 30.24 30.49 1lof n GLN 16 CO 0.00 0.00 0.00 0.27 -1.01 0.00 0.00 177.06 176.32 1lof n ASN 17 N -1.46 5.21 -4.31 1.08 6.94 -1.26 -4.88 115.26 116.58 1lof n ASN 17 Ca 0.00 -2.70 -0.27 0.00 -0.02 0.00 0.00 54.58 51.59 1lof n ASN 17 Cb 0.00 -0.64 -0.14 0.00 -2.36 0.00 0.00 39.78 36.65 1lof n ASN 17 CO 0.00 0.00 0.00 -0.76 -1.03 0.00 0.00 177.26 175.47 1lof s LEU 18 N -2.30 2.22 -0.21 -4.53 1.02 -1.09 -1.46 118.68 112.33 1lof s LEU 18 Ca 0.52 -0.61 -0.06 0.00 0.02 0.00 0.00 54.13 53.99 1lof s LEU 18 Cb 0.37 -1.09 -0.03 0.00 0.02 0.00 0.00 46.19 45.46 1lof s LEU 18 CO 0.19 0.17 0.04 -0.63 0.02 0.00 0.00 176.35 176.14 1lof s ILE 19 N -0.91 4.30 -0.08 -0.59 1.01 0.10 -4.81 121.20 120.22 1lof s ILE 19 Ca 0.10 -0.19 -0.02 0.00 0.00 0.00 0.00 60.65 60.53 1lof s ILE 19 Cb -0.10 -2.96 -0.03 0.00 0.01 0.00 0.00 42.46 39.38 1lof s ILE 19 CO 0.03 0.42 0.02 -0.36 0.00 0.00 0.00 174.94 175.05 1lof s PHE 20 N 0.94 3.21 0.04 3.97 0.08 -1.26 -0.32 117.98 124.65 1lof s PHE 20 Ca 0.03 0.23 0.02 0.00 0.12 0.00 0.00 56.93 57.33 1lof s PHE 20 Cb -0.14 -1.79 -0.02 0.00 -0.57 0.00 0.00 43.02 40.49 1lof s PHE 20 CO 0.02 0.51 -0.08 -0.65 -0.10 0.00 0.00 175.22 174.92 1lof s GLN 21 N -1.02 0.56 7.18 0.44 -0.21 0.23 -4.96 119.66 121.88 1lof s GLN 21 Ca 0.15 -0.74 0.00 0.00 0.02 0.00 0.00 55.36 54.79 1lof s GLN 21 Cb -0.11 -0.36 0.00 0.00 1.00 0.00 0.00 33.01 33.53 1lof s GLN 21 CO 0.04 0.07 0.00 0.41 -2.12 0.00 0.00 175.29 173.69 1lof n GLY 22 N 1.55 2.63 1.53 3.09 0.00 -1.26 0.24 105.19 112.96 1lof n GLY 22 Ca -0.22 -0.30 0.06 0.00 0.00 0.00 0.00 46.02 45.56 1lof n GLY 22 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1lof n ASP 23 N 5.09 4.53 -4.74 1.61 9.92 0.35 -4.88 116.55 128.43 1lof n ASP 23 Ca 0.00 -2.64 -0.41 0.00 -0.53 0.00 0.00 54.79 51.21 1lof n ASP 23 Cb 0.00 -0.62 -0.04 0.00 -0.64 0.00 0.00 41.12 39.82 1lof n ASP 23 CO 0.00 0.00 0.00 -0.83 0.13 0.00 0.00 177.20 176.50 1lof s GLY 24 N -0.65 2.90 0.22 0.44 0.00 -1.10 -4.58 107.32 104.55 1lof s GLY 24 Ca 0.42 0.84 -0.17 0.00 0.00 0.00 0.00 44.72 45.81 1lof s GLY 24 CO 0.14 1.62 0.55 -2.52 0.00 0.00 0.00 173.10 172.88 1lof s TYR 25 N -0.49 -0.04 0.00 1.90 1.13 -0.61 -4.65 117.35 114.60 1lof s TYR 25 Ca 0.48 -0.33 0.02 0.00 -1.41 0.00 0.00 57.07 55.84 1lof s TYR 25 Cb -0.30 0.40 -0.04 0.00 -1.10 0.00 0.00 41.96 40.93 1lof s TYR 25 CO 0.37 -0.98 -0.02 -0.08 -2.51 0.00 0.00 175.55 172.32 1lof s THR 26 N -3.91 3.97 -0.26 -3.49 -1.32 -1.26 -0.73 115.64 108.64 1lof s THR 26 Ca 0.12 -0.68 -0.18 0.00 -1.21 0.00 0.00 61.69 59.74 1lof s THR 26 Cb -0.02 -2.76 0.07 0.00 -1.51 0.00 0.00 72.50 68.28 1lof s THR 26 CO 0.01 0.37 0.65 -0.89 -2.21 0.00 0.00 174.62 172.55 1lof s THR 27 N -1.07 -0.00 -1.43 5.08 2.01 0.33 -4.82 115.64 115.75 1lof s THR 27 Ca 0.19 0.01 -0.04 0.00 0.31 0.00 0.00 61.69 62.16 1lof s THR 27 Cb -0.11 -0.93 0.03 0.00 0.01 0.00 0.00 72.50 71.50 1lof s THR 27 CO 0.10 0.00 0.65 1.17 -0.69 0.00 0.00 174.62 175.85 1lof n LYS 28 N 3.79 -4.19 -1.27 4.92 4.81 -1.26 -0.66 118.16 124.30 1lof n LYS 28 Ca -0.18 0.50 -0.09 0.00 -0.87 0.00 0.00 58.31 57.67 1lof n LYS 28 Cb 0.57 -4.96 -0.04 0.00 0.02 0.00 0.00 35.03 30.62 1lof n LYS 28 CO 0.00 0.00 0.00 0.39 1.17 0.00 0.00 177.40 178.96 1lof n GLU 29 N -4.41 -1.10 -4.28 1.64 1.02 -1.24 -5.02 120.64 107.26 1lof n GLU 29 Ca -0.21 0.78 -0.18 0.00 -0.02 0.00 0.00 57.16 57.53 1lof n GLU 29 Cb 0.64 -4.85 -0.11 0.00 -0.02 0.00 0.00 31.44 27.10 1lof n GLU 29 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1lof s ARG 30 N -2.58 1.13 -0.40 3.49 0.52 0.16 -2.45 118.95 118.82 1lof s ARG 30 Ca 0.00 -1.35 -0.17 0.00 -0.52 0.00 0.00 55.73 53.69 1lof s ARG 30 Cb 0.00 -1.00 0.01 0.00 0.52 0.00 0.00 34.95 34.49 1lof s ARG 30 CO 0.00 0.19 0.46 -1.17 0.02 0.00 0.00 175.30 174.80 1lof s LEU 31 N -2.70 4.69 -0.42 2.53 2.96 -1.26 -0.51 118.68 123.97 1lof s LEU 31 Ca 0.13 -0.49 -0.13 0.00 -0.22 0.00 0.00 54.13 53.43 1lof s LEU 31 Cb -0.04 -2.45 0.05 0.00 0.50 0.00 0.00 46.19 44.26 1lof s LEU 31 CO 0.04 -0.56 0.28 0.42 -1.32 0.00 0.00 176.35 175.22 1lof s THR 32 N 2.23 4.80 0.02 3.68 -4.23 0.09 -4.95 115.64 117.29 1lof s THR 32 Ca 0.14 -0.99 -0.17 0.00 -1.18 0.00 0.00 61.69 59.49 1lof s THR 32 Cb -0.16 -3.78 -0.33 0.00 1.34 0.00 0.00 72.50 69.56 1lof s THR 32 CO 0.14 -0.39 1.00 -0.07 -0.54 0.00 0.00 174.62 174.76 1lof h LEU 33 N 8.55 0.77 -7.91 4.79 3.38 -1.82 -1.62 115.31 121.46 1lof h LEU 33 Ca -0.26 -0.90 -0.19 0.00 0.09 0.00 0.00 57.88 56.62 1lof h LEU 33 Cb 1.10 -0.25 -0.23 0.00 0.09 0.00 0.00 40.66 41.37 1lof h LEU 33 CO 0.75 1.62 -0.71 -0.89 0.09 0.00 0.00 178.44 179.30 1lof s THR 34 N -2.66 0.10 0.35 0.22 2.01 -1.26 -3.18 115.64 111.21 1lof s THR 34 Ca -0.10 -0.64 0.02 0.00 0.31 0.00 0.00 61.69 61.28 1lof s THR 34 Cb 0.04 -0.20 -0.02 0.00 0.01 0.00 0.00 72.50 72.32 1lof s THR 34 CO 0.92 -0.34 0.53 -0.54 -0.69 0.00 0.00 174.62 174.50 1lof s LYS 35 N -1.02 3.36 -1.38 4.92 -0.14 -1.26 -4.99 119.74 119.23 1lof s LYS 35 Ca -0.11 -0.50 -0.16 0.00 -1.36 0.00 0.00 55.97 53.84 1lof s LYS 35 Cb -0.07 -2.70 0.03 0.00 -1.68 0.00 0.00 37.83 33.42 1lof s LYS 35 CO -0.01 0.10 2.10 0.00 -0.76 0.00 0.00 175.35 176.79 1lof n ALA 36 N -1.77 4.92 -2.56 5.17 0.00 -1.26 -4.80 120.51 120.22 1lof n ALA 36 Ca -0.04 -3.82 -0.23 0.00 0.00 0.00 0.00 53.44 49.35 1lof n ALA 36 Cb 0.57 -3.56 -0.14 0.00 0.00 0.00 0.00 19.45 16.32 1lof n ALA 36 CO 0.00 0.00 0.00 0.08 0.00 0.00 0.00 177.50 177.58 1lof s VAL 37 N 3.67 1.36 0.39 0.00 1.01 -1.26 -5.08 120.40 120.48 1lof s VAL 37 Ca 0.50 -1.02 -0.18 0.00 0.00 0.00 0.00 61.98 61.28 1lof s VAL 37 Cb 0.12 -1.19 -0.10 0.00 0.00 0.00 0.00 36.38 35.21 1lof s VAL 37 CO -0.04 0.15 0.85 0.00 0.00 0.00 0.00 175.10 176.07 1lof s ARG 38 N -1.01 4.10 -1.32 2.72 1.70 -1.26 -4.29 118.95 119.59 1lof s ARG 38 Ca 0.05 0.89 -0.03 0.00 -0.47 0.00 0.00 55.73 56.16 1lof s ARG 38 Cb -0.08 -2.30 0.01 0.00 -0.57 0.00 0.00 34.95 32.02 1lof s ARG 38 CO 0.01 0.04 0.88 -1.71 -1.08 0.00 0.00 175.30 173.44 1lof n ASN 39 N -0.59 -2.55 -4.75 -2.89 5.15 -1.26 -5.05 115.26 103.31 1lof n ASN 39 Ca 0.05 -0.73 -0.24 0.00 -0.60 0.00 0.00 54.58 53.06 1lof n ASN 39 Cb 0.54 -4.43 -0.07 0.00 -0.53 0.00 0.00 39.78 35.29 1lof n ASN 39 CO 0.00 0.00 0.00 0.42 1.40 0.00 0.00 177.26 179.08 1lof s THR 40 N -3.49 2.31 -0.00 -0.44 -4.23 -1.26 -5.02 115.64 103.51 1lof s THR 40 Ca 0.17 -1.67 0.04 0.00 -1.18 0.00 0.00 61.69 59.05 1lof s THR 40 Cb -0.08 -2.98 -0.01 0.00 1.34 0.00 0.00 72.50 70.76 1lof s THR 40 CO 0.78 0.00 -0.13 -0.69 -0.54 0.00 0.00 174.62 174.04 1lof s VAL 41 N -2.60 1.02 -0.02 2.29 1.01 -1.26 -4.78 120.40 116.06 1lof s VAL 41 Ca 0.41 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.73 1lof s VAL 41 Cb 0.03 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.55 1lof s VAL 41 CO 0.23 0.23 0.09 -0.83 0.00 0.00 0.00 175.10 174.82 1lof s GLY 42 N -0.44 -0.00 0.04 4.51 0.00 -1.19 -0.49 107.32 109.74 1lof s GLY 42 Ca 0.04 0.06 -0.02 0.00 0.00 0.00 0.00 44.72 44.80 1lof s GLY 42 CO -0.00 0.00 0.02 0.50 0.00 0.00 0.00 173.10 173.62 1lof s ARG 43 N -0.45 0.56 -0.06 2.90 0.52 0.14 -4.81 118.95 117.74 1lof s ARG 43 Ca -0.05 -0.95 -0.04 0.00 -0.52 0.00 0.00 55.73 54.17 1lof s ARG 43 Cb -0.03 0.20 0.03 0.00 0.52 0.00 0.00 34.95 35.67 1lof s ARG 43 CO 0.00 -0.12 0.14 0.00 0.02 0.00 0.00 175.30 175.35 1lof s ALA 44 N -3.07 -0.30 0.06 2.13 0.00 -1.26 -0.60 121.76 118.73 1lof s ALA 44 Ca -0.01 0.55 0.08 0.00 0.00 0.00 0.00 51.96 52.57 1lof s ALA 44 Cb 0.02 -0.35 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1lof s ALA 44 CO -0.07 -0.11 -0.21 -0.51 0.00 0.00 0.00 175.76 174.86 1lof s LEU 45 N 0.67 2.20 0.18 0.00 1.43 0.57 -4.90 118.68 118.84 1lof s LEU 45 Ca -0.05 -0.57 -0.30 0.00 -1.03 0.00 0.00 54.13 52.18 1lof s LEU 45 Cb -0.07 -0.95 -0.08 0.00 0.03 0.00 0.00 46.19 45.12 1lof s LEU 45 CO -0.03 0.13 1.23 -0.47 0.23 0.00 0.00 176.35 177.44 1lof s TYR 46 N -0.90 3.38 0.23 0.29 5.04 -1.26 0.00 117.35 124.14 1lof s TYR 46 Ca 0.07 1.37 -0.06 0.00 -2.44 0.00 0.00 57.07 56.01 1lof s TYR 46 Cb -0.09 -3.48 0.41 0.00 0.35 0.00 0.00 41.96 39.15 1lof s TYR 46 CO 0.02 -1.38 1.71 1.03 -1.34 0.00 0.00 175.55 175.59 1lof h SER 47 N 5.32 0.11 -3.70 4.32 0.87 -1.57 -3.43 113.55 115.48 1lof h SER 47 Ca -0.44 0.12 -0.50 0.00 -1.23 0.00 0.00 61.79 59.74 1lof h SER 47 Cb 1.21 0.14 -0.02 0.00 -0.44 0.00 0.00 62.40 63.30 1lof h SER 47 CO 0.75 0.03 0.36 -0.55 -0.53 0.00 0.00 176.83 176.89 1lof s SER 48 N -5.30 7.59 0.48 6.23 0.15 -1.26 -5.02 113.70 116.57 1lof s SER 48 Ca -0.13 1.92 -0.24 0.00 0.70 0.00 0.00 55.95 58.20 1lof s SER 48 Cb 0.20 -2.60 -0.07 0.00 -1.71 0.00 0.00 66.02 61.83 1lof s SER 48 CO 0.75 0.08 1.37 -2.65 1.20 0.00 0.00 173.24 173.99 1lof n PRO 49 N 1.87 1.98 -4.49 5.44 -0.02 -1.26 -5.05 135.00 133.47 1lof n PRO 49 Ca -0.01 0.71 -0.31 0.00 -2.02 0.00 0.00 63.50 61.88 1lof n PRO 49 Cb 0.48 -2.55 -0.12 0.00 -0.02 0.00 0.00 33.50 31.29 1lof n PRO 49 CO 0.00 0.00 0.00 0.96 1.98 0.00 0.00 175.50 178.44 1lof s ILE 50 N -1.23 3.07 -0.42 4.25 -5.25 -1.26 -5.09 121.20 115.27 1lof s ILE 50 Ca 0.65 -1.16 -0.22 0.00 -0.99 0.00 0.00 60.65 58.92 1lof s ILE 50 Cb -0.45 -2.35 0.02 0.00 2.95 0.00 0.00 42.46 42.63 1lof s ILE 50 CO 0.55 0.27 0.75 -2.28 -1.79 0.00 0.00 174.94 172.44 1lof s HIS 51 N -1.02 3.04 -0.12 1.37 5.65 -1.26 -4.91 115.29 118.04 1lof s HIS 51 Ca 0.17 0.23 0.16 0.00 0.25 0.00 0.00 55.06 55.86 1lof s HIS 51 Cb -0.11 -3.52 -0.23 0.00 -1.18 0.00 0.00 32.58 27.54 1lof s HIS 51 CO 0.08 -0.88 0.43 1.51 -0.65 0.00 0.00 174.74 175.23 1lof n ILE 52 N 5.98 1.40 -3.92 0.89 0.13 -1.26 -4.80 119.36 117.77 1lof n ILE 52 Ca 0.02 -0.80 -0.09 0.00 -1.10 0.00 0.00 62.75 60.77 1lof n ILE 52 Cb 0.48 -0.72 -0.07 0.00 -0.84 0.00 0.00 39.64 38.50 1lof n ILE 52 CO 0.00 0.00 0.00 -1.66 2.80 0.00 0.00 176.55 177.69 1lof s TRP 53 N -2.64 0.31 -0.15 9.51 1.48 -1.26 -0.16 118.94 126.03 1lof s TRP 53 Ca -0.07 -0.68 0.01 0.00 -1.06 0.00 0.00 56.10 54.31 1lof s TRP 53 Cb 0.08 0.00 0.00 0.00 -1.16 0.00 0.00 33.47 32.39 1lof s TRP 53 CO 0.83 -0.73 -0.18 0.34 -4.06 0.00 0.00 176.95 173.14 1lof s ASP 54 N -2.95 3.43 0.18 -2.66 2.15 0.97 -4.98 116.67 112.81 1lof s ASP 54 Ca 0.15 -0.53 -0.07 0.00 0.43 0.00 0.00 52.55 52.54 1lof s ASP 54 Cb 0.03 -1.51 0.07 0.00 -0.30 0.00 0.00 42.92 41.20 1lof s ASP 54 CO -0.01 0.09 1.53 0.77 -0.17 0.00 0.00 175.17 177.38 1lof h SER 55 N 7.29 0.86 -0.22 -0.34 4.64 -1.95 0.25 113.55 124.08 1lof h SER 55 Ca -0.32 -0.37 0.05 0.00 -0.47 0.00 0.00 61.79 60.67 1lof h SER 55 Cb 1.19 -0.24 -0.04 0.00 -0.31 0.00 0.00 62.40 63.00 1lof h SER 55 CO 0.56 1.13 -0.07 0.50 -0.87 0.00 0.00 176.83 178.08 1lof h LYS 56 N 0.67 -0.02 0.00 4.77 3.64 -1.98 -3.26 116.57 120.39 1lof h LYS 56 Ca 0.06 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.44 1lof h LYS 56 Cb 0.92 0.00 -0.00 0.00 -0.41 0.00 0.00 32.23 32.74 1lof h LYS 56 CO 0.08 -0.01 -1.43 2.41 -2.27 0.00 0.00 179.45 178.23 1lof n THR 57 N -5.23 0.38 0.00 1.00 -1.04 -1.22 -4.99 114.28 103.18 1lof n THR 57 Ca -0.02 -0.53 0.00 0.00 -2.04 0.00 0.00 64.05 61.46 1lof n THR 57 Cb 0.15 -0.21 0.00 0.00 -1.82 0.00 0.00 70.33 68.45 1lof n THR 57 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 1lof n GLY 58 N 1.22 2.87 3.71 3.41 0.00 0.88 -4.99 105.19 112.28 1lof n GLY 58 Ca -0.02 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.58 1lof n GLY 58 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1lof s ASN 59 N -3.05 6.46 0.09 1.61 0.01 -1.23 -4.77 114.94 114.07 1lof s ASN 59 Ca 0.00 2.74 0.03 0.00 -0.71 0.00 0.00 52.86 54.92 1lof s ASN 59 Cb 0.00 -2.58 -0.04 0.00 0.41 0.00 0.00 41.25 39.04 1lof s ASN 59 CO 0.00 -0.95 0.10 -0.69 -1.51 0.00 0.00 177.10 174.05 1lof s VAL 60 N 1.88 4.58 0.42 1.60 1.01 -1.26 -0.02 120.40 128.61 1lof s VAL 60 Ca 0.76 -0.80 -0.22 0.00 0.00 0.00 0.00 61.98 61.71 1lof s VAL 60 Cb -0.46 -3.23 -0.10 0.00 0.00 0.00 0.00 36.38 32.59 1lof s VAL 60 CO 0.33 0.08 1.00 0.00 0.00 0.00 0.00 175.10 176.52 1lof s ALA 61 N -1.46 3.03 0.02 5.51 0.00 0.77 -4.83 121.76 124.80 1lof s ALA 61 Ca 0.30 0.57 -0.10 0.00 0.00 0.00 0.00 51.96 52.73 1lof s ALA 61 Cb -0.12 -3.22 -0.05 0.00 0.00 0.00 0.00 23.12 19.73 1lof s ALA 61 CO 0.23 -0.09 0.34 -0.80 0.00 0.00 0.00 175.76 175.44 1lof s ASN 62 N -1.86 6.61 0.18 0.00 0.01 -1.26 -4.22 114.94 114.40 1lof s ASN 62 Ca 0.61 0.73 -0.09 0.00 -0.71 0.00 0.00 52.86 53.40 1lof s ASN 62 Cb -0.16 -2.16 -0.01 0.00 0.41 0.00 0.00 41.25 39.33 1lof s ASN 62 CO 0.21 0.25 0.30 0.72 -1.51 0.00 0.00 177.10 177.07 1lof s PHE 63 N -1.27 0.43 -0.09 2.20 -0.12 -0.93 -4.98 117.98 113.23 1lof s PHE 63 Ca 0.28 -0.79 -0.11 0.00 -0.05 0.00 0.00 56.93 56.26 1lof s PHE 63 Cb -0.14 -0.05 0.03 0.00 -0.63 0.00 0.00 43.02 42.23 1lof s PHE 63 CO 0.15 -0.75 0.29 0.54 -0.05 0.00 0.00 175.22 175.40 1lof s VAL 64 N -3.98 0.01 -0.02 -2.49 0.11 -1.26 -0.77 120.40 111.99 1lof s VAL 64 Ca 0.19 -0.12 -0.05 0.00 -2.93 0.00 0.00 61.98 59.07 1lof s VAL 64 Cb 0.03 -0.45 0.00 0.00 -1.53 0.00 0.00 36.38 34.43 1lof s VAL 64 CO 0.02 -0.07 0.11 0.28 -3.33 0.00 0.00 175.10 172.12 1lof s THR 65 N -0.19 0.05 0.04 5.04 -1.32 -0.11 -5.00 115.64 114.15 1lof s THR 65 Ca -0.03 -0.38 0.00 0.00 -1.21 0.00 0.00 61.69 60.07 1lof s THR 65 Cb -0.03 -0.29 -0.03 0.00 -1.51 0.00 0.00 72.50 70.64 1lof s THR 65 CO 0.01 -0.21 -0.04 -0.94 -2.21 0.00 0.00 174.62 171.23 1lof s SER 66 N -0.69 0.56 -0.05 8.08 1.04 -1.26 -0.45 113.70 120.92 1lof s SER 66 Ca -0.08 -0.74 -0.29 0.00 0.48 0.00 0.00 55.95 55.32 1lof s SER 66 Cb -0.05 0.12 0.10 0.00 0.10 0.00 0.00 66.02 66.29 1lof s SER 66 CO 0.01 -0.40 0.84 0.72 0.98 0.00 0.00 173.24 175.38 1lof s PHE 67 N -2.52 -0.47 -0.05 5.02 -0.71 -0.86 -4.99 117.98 113.41 1lof s PHE 67 Ca -0.04 0.63 0.05 0.00 -1.04 0.00 0.00 56.93 56.54 1lof s PHE 67 Cb -0.02 0.47 -0.01 0.00 -1.21 0.00 0.00 43.02 42.25 1lof s PHE 67 CO -0.04 -0.53 -0.22 0.95 -1.34 0.00 0.00 175.22 174.04 1lof s THR 68 N -1.93 1.80 0.30 -4.49 -4.23 -1.26 -1.07 115.64 104.76 1lof s THR 68 Ca -0.02 -0.93 0.06 0.00 -1.18 0.00 0.00 61.69 59.62 1lof s THR 68 Cb -0.01 -1.53 -0.06 0.00 1.34 0.00 0.00 72.50 72.24 1lof s THR 68 CO -0.00 0.51 -0.04 0.72 -0.54 0.00 0.00 174.62 175.27 1lof s PHE 69 N -0.11 2.03 -0.06 3.99 -0.71 -0.23 -4.92 117.98 117.97 1lof s PHE 69 Ca -0.03 -0.72 0.02 0.00 -1.04 0.00 0.00 56.93 55.15 1lof s PHE 69 Cb -0.13 -1.21 0.02 0.00 -1.21 0.00 0.00 43.02 40.49 1lof s PHE 69 CO 0.03 0.27 -0.09 0.08 -1.34 0.00 0.00 175.22 174.17 1lof s VAL 70 N -3.01 0.87 -0.26 -2.49 1.01 -1.26 -1.19 120.40 114.07 1lof s VAL 70 Ca 0.31 -0.32 -0.05 0.00 0.00 0.00 0.00 61.98 61.92 1lof s VAL 70 Cb 0.05 -0.84 0.00 0.00 0.00 0.00 0.00 36.38 35.59 1lof s VAL 70 CO 0.13 0.30 0.03 -0.63 0.00 0.00 0.00 175.10 174.93 1lof s ILE 71 N 0.83 3.69 -0.45 2.22 1.01 -1.26 -5.02 121.20 122.22 1lof s ILE 71 Ca -0.12 -0.62 -0.02 0.00 0.00 0.00 0.00 60.65 59.89 1lof s ILE 71 Cb -0.15 -2.82 0.12 0.00 0.01 0.00 0.00 42.46 39.62 1lof s ILE 71 CO 0.02 0.22 0.23 -0.62 0.00 0.00 0.00 174.94 174.79 1lof s ASP 72 N 1.48 5.15 0.22 3.58 2.15 -1.26 -0.26 116.67 127.73 1lof s ASP 72 Ca 0.04 -2.25 0.05 0.00 0.43 0.00 0.00 52.55 50.82 1lof s ASP 72 Cb -0.16 -1.80 -0.03 0.00 -0.30 0.00 0.00 42.92 40.63 1lof s ASP 72 CO 0.00 -0.48 0.28 0.00 -0.17 0.00 0.00 175.17 174.80 1lof s ALA 73 N 0.82 3.80 0.52 3.66 0.00 -1.26 -4.86 121.76 124.44 1lof s ALA 73 Ca 0.11 -1.25 0.27 0.00 0.00 0.00 0.00 51.96 51.09 1lof s ALA 73 Cb -0.22 -1.58 1.39 0.00 0.00 0.00 0.00 23.12 22.71 1lof s ALA 73 CO -0.04 0.32 1.93 -1.00 0.00 0.00 0.00 175.76 176.97 1lof h PRO 74 N 1.55 0.06 -2.14 0.00 0.13 -1.99 -3.45 132.00 126.16 1lof h PRO 74 Ca -0.50 -0.00 0.18 0.00 -0.87 0.00 0.00 66.00 64.81 1lof h PRO 74 Cb 1.22 -0.01 -0.12 0.00 0.13 0.00 0.00 31.00 32.22 1lof h PRO 74 CO 0.62 0.04 0.55 0.54 -0.23 0.00 0.00 178.00 179.53 1lof s ASN 75 N -5.88 -0.22 0.00 1.44 2.20 -1.26 -5.05 114.94 106.18 1lof s ASN 75 Ca -0.05 -0.21 0.05 0.00 -0.94 0.00 0.00 52.86 51.71 1lof s ASN 75 Cb 0.21 0.39 0.29 0.00 -2.00 0.00 0.00 41.25 40.14 1lof s ASN 75 CO 0.76 -0.69 0.87 -1.20 -2.94 0.00 0.00 177.10 173.90 1lof n SER 76 N -0.38 0.00 -0.04 3.54 7.64 -1.26 -3.40 113.62 119.73 1lof n SER 76 Ca -0.07 -0.02 -0.05 0.00 1.01 0.00 0.00 58.87 59.75 1lof n SER 76 Cb 0.61 -0.11 -0.05 0.00 -1.01 0.00 0.00 64.21 63.65 1lof n SER 76 CO 0.00 0.00 0.00 -1.22 -3.01 0.00 0.00 175.04 170.81 1lof n TYR 77 N -1.11 0.00 -3.22 1.43 4.01 -1.26 -4.75 117.16 112.26 1lof n TYR 77 Ca 0.03 0.00 -0.45 0.00 -0.16 0.00 0.00 57.90 57.32 1lof n TYR 77 Cb 0.03 -0.33 -0.01 0.00 -0.31 0.00 0.00 39.34 38.73 1lof n TYR 77 CO 0.00 0.00 0.00 -0.80 -0.46 0.00 0.00 176.86 175.60 1lof s ASN 78 N -4.33 7.14 -0.01 7.72 -0.87 -1.22 -4.95 114.94 118.42 1lof s ASN 78 Ca -0.07 -3.22 0.03 0.00 -1.57 0.00 0.00 52.86 48.02 1lof s ASN 78 Cb 0.02 -2.27 -0.00 0.00 -0.02 0.00 0.00 41.25 38.98 1lof s ASN 78 CO 0.23 -0.49 -0.09 -0.69 -2.57 0.00 0.00 177.10 173.49 1lof s VAL 79 N -0.12 0.71 -0.26 1.60 1.01 -1.26 -4.28 120.40 117.80 1lof s VAL 79 Ca 0.32 -0.37 -0.36 0.00 0.00 0.00 0.00 61.98 61.57 1lof s VAL 79 Cb -0.08 -0.61 0.16 0.00 0.00 0.00 0.00 36.38 35.85 1lof s VAL 79 CO -0.06 0.21 1.33 0.00 0.00 0.00 0.00 175.10 176.57 1lof s ALA 80 N -0.09 -2.15 -0.20 5.51 0.00 -1.26 -4.56 121.76 119.00 1lof s ALA 80 Ca 0.02 1.83 0.18 0.00 0.00 0.00 0.00 51.96 53.98 1lof s ALA 80 Cb -0.05 -0.50 -0.25 0.00 0.00 0.00 0.00 23.12 22.32 1lof s ALA 80 CO -0.00 -0.51 0.08 -0.25 0.00 0.00 0.00 175.76 175.08 1lof n ASP 81 N 0.06 0.04 0.00 0.00 8.00 -1.26 -5.04 116.55 118.35 1lof n ASP 81 Ca 0.03 0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.54 1lof n ASP 81 Cb 0.57 0.96 0.00 0.00 -0.02 0.00 0.00 41.12 42.63 1lof n ASP 81 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1lof n GLY 82 N 1.75 0.23 3.12 0.44 0.00 -1.26 -1.39 105.19 108.08 1lof n GLY 82 Ca -0.33 -1.63 -0.10 0.00 0.00 0.00 0.00 46.02 43.96 1lof n GLY 82 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1lof s PHE 83 N -2.64 0.10 -0.09 1.61 5.36 0.08 -5.00 117.98 117.41 1lof s PHE 83 Ca 0.00 -0.29 -0.11 0.00 -0.96 0.00 0.00 56.93 55.57 1lof s PHE 83 Cb 0.00 -0.08 0.03 0.00 -0.34 0.00 0.00 43.02 42.63 1lof s PHE 83 CO 0.00 -0.34 0.30 0.99 -1.46 0.00 0.00 175.22 174.71 1lof s THR 84 N -2.03 0.02 -0.26 0.12 2.01 -1.26 0.52 115.64 114.76 1lof s THR 84 Ca -0.10 -0.15 -0.08 0.00 0.31 0.00 0.00 61.69 61.67 1lof s THR 84 Cb -0.04 -0.48 -0.03 0.00 0.01 0.00 0.00 72.50 71.96 1lof s THR 84 CO -0.02 -0.08 0.10 0.12 -0.69 0.00 0.00 174.62 174.06 1lof s PHE 85 N -0.27 3.12 0.22 4.92 5.36 -0.48 -4.96 117.98 125.89 1lof s PHE 85 Ca -0.04 -0.32 0.06 0.00 -0.96 0.00 0.00 56.93 55.67 1lof s PHE 85 Cb -0.03 -2.28 -0.05 0.00 -0.34 0.00 0.00 43.02 40.32 1lof s PHE 85 CO 0.01 -0.32 -0.09 -0.59 -1.46 0.00 0.00 175.22 172.77 1lof s PHE 86 N 1.65 1.65 -0.13 10.12 -0.71 -1.26 0.09 117.98 129.39 1lof s PHE 86 Ca 0.06 -0.70 0.00 0.00 -1.04 0.00 0.00 56.93 55.25 1lof s PHE 86 Cb -0.15 -0.86 0.02 0.00 -1.21 0.00 0.00 43.02 40.81 1lof s PHE 86 CO 0.05 0.21 -0.13 0.42 -1.34 0.00 0.00 175.22 174.44 1lof s ILE 87 N -3.13 1.41 0.26 -4.49 1.01 -0.08 -4.99 121.20 111.18 1lof s ILE 87 Ca 0.24 -0.54 -0.01 0.00 0.00 0.00 0.00 60.65 60.34 1lof s ILE 87 Cb 0.02 -1.33 -0.03 0.00 0.01 0.00 0.00 42.46 41.13 1lof s ILE 87 CO 0.07 0.43 0.26 0.00 0.00 0.00 0.00 174.94 175.71 1lof s ALA 88 N 1.41 1.08 0.60 9.38 0.00 -1.26 -2.49 121.76 130.48 1lof s ALA 88 Ca 0.02 -1.65 -0.19 0.00 0.00 0.00 0.00 51.96 50.14 1lof s ALA 88 Cb -0.13 1.33 -0.04 0.00 0.00 0.00 0.00 23.12 24.28 1lof s ALA 88 CO -0.08 -0.67 1.06 -0.35 0.00 0.00 0.00 175.76 175.72 1lof n PRO 89 N -0.41 1.03 -0.31 0.00 -0.04 -1.26 -4.89 135.00 129.12 1lof n PRO 89 Ca 0.03 0.40 0.21 0.00 -0.04 0.00 0.00 63.50 64.09 1lof n PRO 89 Cb 0.64 -2.27 0.48 0.00 -0.04 0.00 0.00 33.50 32.31 1lof n PRO 89 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 1lof h VAL 90 N 0.62 0.58 -0.57 0.52 2.07 -2.00 -0.52 116.25 116.95 1lof h VAL 90 Ca -0.49 -0.15 -0.17 0.00 0.82 0.00 0.00 66.70 66.71 1lof h VAL 90 Cb 1.35 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 31.11 1lof h VAL 90 CO 0.52 0.08 0.22 -0.90 0.02 0.00 0.00 177.57 177.51 1lof n ASP 91 N -4.63 4.15 -4.73 0.57 5.75 -1.26 -4.97 116.55 111.44 1lof n ASP 91 Ca 0.24 -2.93 -0.42 0.00 -0.01 0.00 0.00 54.79 51.67 1lof n ASP 91 Cb 0.80 -0.69 -0.03 0.00 -1.03 0.00 0.00 41.12 40.17 1lof n ASP 91 CO 0.00 0.00 0.00 0.28 -0.11 0.00 0.00 177.20 177.37 1lof s THR 92 N -2.40 2.10 0.29 2.12 -1.32 -0.21 -5.01 115.64 111.21 1lof s THR 92 Ca 0.42 0.08 0.09 0.00 -1.21 0.00 0.00 61.69 61.07 1lof s THR 92 Cb 0.34 -3.05 -0.06 0.00 -1.51 0.00 0.00 72.50 68.22 1lof s THR 92 CO 0.10 0.01 -0.11 -0.54 -2.21 0.00 0.00 174.62 171.87 1lof s LYS 93 N 0.79 1.65 0.39 7.08 1.02 -1.26 -5.09 119.74 124.31 1lof s LYS 93 Ca 0.72 -1.81 -0.28 0.00 0.02 0.00 0.00 55.97 54.62 1lof s LYS 93 Cb -0.49 -1.48 -0.11 0.00 -0.52 0.00 0.00 37.83 35.23 1lof s LYS 93 CO 0.35 0.16 1.47 -2.30 -0.92 0.00 0.00 175.35 174.11 1lof n PRO 94 N -0.64 2.59 0.00 -1.68 -0.02 -1.26 -4.98 135.00 129.00 1lof n PRO 94 Ca -0.05 0.91 0.00 0.00 -2.02 0.00 0.00 63.50 62.33 1lof n PRO 94 Cb 0.62 -2.64 0.00 0.00 -0.02 0.00 0.00 33.50 31.46 1lof n PRO 94 CO 0.00 0.00 0.00 1.04 1.98 0.00 0.00 175.50 178.52 1lof n GLN 95 N 0.36 3.74 -2.15 -0.52 1.13 -0.10 -5.01 117.38 114.84 1lof n GLN 95 Ca 0.02 0.00 -0.41 0.00 -1.94 0.00 0.00 57.00 54.67 1lof n GLN 95 Cb 0.39 0.00 -0.03 0.00 0.11 0.00 0.00 30.24 30.71 1lof n GLN 95 CO 0.00 0.00 0.00 0.99 -1.44 0.00 0.00 177.06 176.61 1lof s THR 96 N 2.68 3.02 0.00 5.09 2.01 -0.85 -4.53 115.64 123.06 1lof s THR 96 Ca 0.00 0.84 0.00 0.00 0.31 0.00 0.00 61.69 62.84 1lof s THR 96 Cb 0.00 -3.54 0.00 0.00 0.01 0.00 0.00 72.50 68.97 1lof s THR 96 CO 0.00 0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.67 1lof n GLY 97 N 2.34 -0.40 7.00 4.40 0.00 -1.26 -0.00 105.19 117.27 1lof n GLY 97 Ca 0.06 -1.47 0.00 0.00 0.00 0.00 0.00 46.02 44.62 1lof n GLY 97 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lof n GLY 98 N 4.12 3.38 0.00 -0.02 0.00 -1.26 -1.66 105.19 109.75 1lof n GLY 98 Ca 0.00 -0.16 0.08 0.00 0.00 0.00 0.00 46.02 45.94 1lof n GLY 98 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1lof n GLY 99 N 0.00 -0.98 0.16 -0.02 0.00 -1.26 -2.03 105.19 101.07 1lof n GLY 99 Ca 0.00 -0.07 0.14 0.00 0.00 0.00 0.00 46.02 46.10 1lof n GLY 99 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 1lof n TYR 100 N -1.41 0.00 -3.22 1.61 4.01 -0.66 -4.98 117.16 112.50 1lof n TYR 100 Ca 0.06 0.00 -0.23 0.00 -0.16 0.00 0.00 57.90 57.57 1lof n TYR 100 Cb 0.17 -0.14 0.02 0.00 -0.31 0.00 0.00 39.34 39.07 1lof n TYR 100 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1lof n LEU 101 N -0.80 -2.09 -0.32 7.72 4.77 -0.86 -2.34 117.00 123.07 1lof n LEU 101 Ca 0.15 -0.35 -0.04 0.00 -0.03 0.00 0.00 56.01 55.75 1lof n LEU 101 Cb 0.28 -2.52 -0.02 0.00 -2.33 0.00 0.00 43.42 38.84 1lof n LEU 101 CO 0.23 0.20 -0.04 0.61 -1.33 0.00 0.00 177.39 177.06 1lof n GLY 102 N -1.35 0.36 0.01 -0.72 0.00 0.99 -4.72 105.19 99.76 1lof n GLY 102 Ca -0.06 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 45.95 1lof n GLY 102 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 1lof n VAL 103 N -1.76 0.12 -4.49 1.61 0.24 -1.01 -0.92 118.33 112.12 1lof n VAL 103 Ca -0.04 -0.08 -0.23 0.00 -2.04 0.00 0.00 64.34 61.95 1lof n VAL 103 Cb 0.45 -0.90 -0.10 0.00 -1.47 0.00 0.00 33.84 31.81 1lof n VAL 103 CO 0.00 0.00 0.00 -0.36 -2.14 0.00 0.00 176.83 174.33 1lof s PHE 104 N -2.05 1.94 0.00 6.34 0.08 -0.99 -4.76 117.98 118.55 1lof s PHE 104 Ca -0.01 -1.02 0.00 0.00 0.12 0.00 0.00 56.93 56.02 1lof s PHE 104 Cb 0.01 -1.29 0.00 0.00 -0.57 0.00 0.00 43.02 41.16 1lof s PHE 104 CO 0.08 -0.03 0.58 0.09 -0.10 0.00 0.00 175.22 175.83 1lof n ASN 105 N -0.87 0.42 -3.53 1.36 3.02 -1.26 -2.01 115.26 112.40 1lof n ASN 105 Ca -0.04 -1.20 -0.08 0.00 -0.03 0.00 0.00 54.58 53.23 1lof n ASN 105 Cb 0.66 0.00 -0.02 0.00 -0.61 0.00 0.00 39.78 39.81 1lof n ASN 105 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lof s SER 106 N -0.20 -0.35 0.05 6.41 0.15 -1.26 -5.01 113.70 113.49 1lof s SER 106 Ca 0.00 -0.04 0.23 0.00 0.70 0.00 0.00 55.95 56.84 1lof s SER 106 Cb 0.00 0.40 0.14 0.00 -1.71 0.00 0.00 66.02 64.85 1lof s SER 106 CO 0.00 -0.65 1.12 2.29 1.20 0.00 0.00 173.24 177.20 1lof n LYS 107 N -0.27 0.23 -3.96 5.44 2.85 -1.26 -1.04 118.16 120.14 1lof n LYS 107 Ca -0.09 0.01 -0.32 0.00 -1.05 0.00 0.00 58.31 56.87 1lof n LYS 107 Cb 0.62 -1.59 -0.05 0.00 -0.65 0.00 0.00 35.03 33.36 1lof n LYS 107 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1lof s ASP 108 N -3.77 6.12 0.19 -5.58 1.01 -1.26 -4.27 116.67 109.12 1lof s ASP 108 Ca 0.05 0.22 -0.33 0.00 0.71 0.00 0.00 52.55 53.20 1lof s ASP 108 Cb 0.15 -1.84 -0.13 0.00 1.01 0.00 0.00 42.92 42.11 1lof s ASP 108 CO 0.78 0.20 1.62 0.00 0.21 0.00 0.00 175.17 177.98 1lof n TYR 109 N 0.55 2.46 -3.74 4.23 4.19 -1.26 -4.66 117.16 118.92 1lof n TYR 109 Ca -0.08 0.20 -0.30 0.00 3.31 0.00 0.00 57.90 61.03 1lof n TYR 109 Cb 0.52 -2.59 -0.14 0.00 0.49 0.00 0.00 39.34 37.62 1lof n TYR 109 CO 0.00 0.00 0.00 0.34 0.91 0.00 0.00 176.86 178.11 1lof s ASP 110 N 0.95 3.87 0.58 2.98 -1.08 -0.88 -5.02 116.67 118.07 1lof s ASP 110 Ca 0.76 -2.25 0.34 0.00 -0.52 0.00 0.00 52.55 50.88 1lof s ASP 110 Cb -0.61 -1.03 1.36 0.00 -1.46 0.00 0.00 42.92 41.19 1lof s ASP 110 CO 0.37 -0.33 1.62 0.07 0.52 0.00 0.00 175.17 177.42 1lof h LYS 111 N 7.26 0.00 0.00 4.34 2.10 -1.93 0.78 116.57 129.12 1lof h LYS 111 Ca -0.06 0.00 -0.02 0.00 -2.00 0.00 0.00 60.65 58.57 1lof h LYS 111 Cb 0.96 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 32.29 1lof h LYS 111 CO 0.48 0.00 -0.09 1.15 -2.00 0.00 0.00 179.45 178.99 1lof h THR 112 N 0.00 0.43 0.26 0.07 2.02 -1.95 -3.25 112.91 110.50 1lof h THR 112 Ca 0.53 -0.49 -0.01 0.00 0.77 0.00 0.00 66.41 67.21 1lof h THR 112 Cb 2.52 1.34 0.00 0.00 -1.74 0.00 0.00 68.15 70.27 1lof h THR 112 CO -0.01 0.09 -0.13 -1.28 0.37 0.00 0.00 175.52 174.57 1lof h SER 113 N 0.00 -0.30 -5.04 4.18 0.87 -1.16 -3.47 113.55 108.64 1lof h SER 113 Ca -0.00 -0.03 -0.41 0.00 -1.23 0.00 0.00 61.79 60.12 1lof h SER 113 Cb 0.33 0.08 0.04 0.00 -0.44 0.00 0.00 62.40 62.41 1lof h SER 113 CO 0.01 -0.16 -0.62 0.00 -0.53 0.00 0.00 176.83 175.53 1lof n GLN 114 N -5.22 -5.20 -4.71 2.24 6.02 -1.23 -4.77 117.38 104.52 1lof n GLN 114 Ca -0.10 0.79 -0.25 0.00 -0.01 0.00 0.00 57.00 57.43 1lof n GLN 114 Cb 0.18 -5.67 -0.16 0.00 1.02 0.00 0.00 30.24 25.61 1lof n GLN 114 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 177.06 177.04 1lof s THR 115 N -3.17 1.28 -0.10 5.09 2.01 -1.26 -3.98 115.64 115.51 1lof s THR 115 Ca 0.40 -0.59 0.04 0.00 0.31 0.00 0.00 61.69 61.85 1lof s THR 115 Cb -0.19 -1.14 -0.00 0.00 0.01 0.00 0.00 72.50 71.18 1lof s THR 115 CO 0.49 0.38 -0.23 -0.69 -0.69 0.00 0.00 174.62 173.89 1lof s VAL 116 N 0.41 2.18 -0.04 3.82 1.01 -1.04 -0.85 120.40 125.88 1lof s VAL 116 Ca -0.11 -0.98 -0.06 0.00 0.00 0.00 0.00 61.98 60.83 1lof s VAL 116 Cb -0.14 -1.84 0.01 0.00 0.00 0.00 0.00 36.38 34.41 1lof s VAL 116 CO 0.04 0.56 0.15 0.00 0.00 0.00 0.00 175.10 175.85 1lof s ALA 117 N 0.29 -0.37 -0.19 5.51 0.00 -0.65 -0.90 121.76 125.45 1lof s ALA 117 Ca -0.17 0.28 -0.06 0.00 0.00 0.00 0.00 51.96 52.02 1lof s ALA 117 Cb -0.17 -0.16 -0.03 0.00 0.00 0.00 0.00 23.12 22.76 1lof s ALA 117 CO 0.08 -0.11 0.02 0.08 0.00 0.00 0.00 175.76 175.83 1lof s VAL 118 N -0.33 4.25 0.19 0.00 1.01 0.11 -1.23 120.40 124.40 1lof s VAL 118 Ca -0.04 -0.22 0.10 0.00 0.00 0.00 0.00 61.98 61.82 1lof s VAL 118 Cb -0.03 -2.91 -0.04 0.00 0.00 0.00 0.00 36.38 33.40 1lof s VAL 118 CO 0.01 0.45 -0.14 -1.83 0.00 0.00 0.00 175.10 173.59 1lof s GLU 119 N 0.66 1.89 -0.35 2.72 -1.05 -0.01 -1.38 118.70 121.19 1lof s GLU 119 Ca 0.01 -1.37 0.01 0.00 -0.15 0.00 0.00 54.97 53.47 1lof s GLU 119 Cb -0.14 -2.05 0.11 0.00 -0.44 0.00 0.00 34.13 31.61 1lof s GLU 119 CO 0.02 0.42 0.12 -0.06 0.95 0.00 0.00 175.26 176.71 1lof s PHE 120 N -1.75 2.20 -0.28 4.83 0.08 0.18 -1.98 117.98 121.27 1lof s PHE 120 Ca 0.24 -2.17 -0.08 0.00 0.12 0.00 0.00 56.93 55.04 1lof s PHE 120 Cb -0.08 -2.02 -0.02 0.00 -0.57 0.00 0.00 43.02 40.33 1lof s PHE 120 CO 0.14 -0.87 0.11 0.34 -0.10 0.00 0.00 175.22 174.84 1lof s ASP 121 N 1.15 5.34 0.00 1.36 2.15 -0.31 -0.74 116.67 125.63 1lof s ASP 121 Ca 0.12 -0.36 0.20 0.00 0.43 0.00 0.00 52.55 52.94 1lof s ASP 121 Cb -0.19 -1.96 0.42 0.00 -0.30 0.00 0.00 42.92 40.88 1lof s ASP 121 CO -0.16 -0.11 1.36 0.35 -0.17 0.00 0.00 175.17 176.44 1lof n THR 122 N 4.95 0.63 -3.71 1.71 -2.24 -0.49 -0.68 114.28 114.45 1lof n THR 122 Ca -0.15 -0.82 -0.12 0.00 -2.27 0.00 0.00 64.05 60.69 1lof n THR 122 Cb 0.50 0.84 -0.13 0.00 -2.10 0.00 0.00 70.33 69.45 1lof n THR 122 CO 0.00 0.00 0.00 0.12 -0.57 0.00 0.00 175.07 174.62 1lof s PHE 123 N -1.27 -0.38 -0.42 4.78 5.36 -1.20 -4.50 117.98 120.35 1lof s PHE 123 Ca 0.36 0.88 -0.28 0.00 -0.96 0.00 0.00 56.93 56.93 1lof s PHE 123 Cb 0.20 0.05 0.00 0.00 -0.34 0.00 0.00 43.02 42.94 1lof s PHE 123 CO 0.28 -0.27 1.51 -0.47 -1.46 0.00 0.00 175.22 174.81 1lof s TYR 124 N 1.55 2.22 -0.36 10.12 5.04 -1.26 -4.98 117.35 129.68 1lof s TYR 124 Ca -0.07 0.64 -0.04 0.00 -2.44 0.00 0.00 57.07 55.16 1lof s TYR 124 Cb -0.11 -4.28 0.07 0.00 0.35 0.00 0.00 41.96 38.00 1lof s TYR 124 CO -0.09 -2.20 0.13 -0.80 -1.34 0.00 0.00 175.55 171.24 1lof s ASN 125 N 4.64 5.20 0.47 4.32 -0.87 -1.26 -4.96 114.94 122.49 1lof s ASN 125 Ca 0.64 -1.54 0.22 0.00 -1.57 0.00 0.00 52.86 50.61 1lof s ASN 125 Cb -0.15 -1.82 1.23 0.00 -0.02 0.00 0.00 41.25 40.49 1lof s ASN 125 CO 0.31 -0.41 1.93 0.71 -2.57 0.00 0.00 177.10 177.07 1lof h THR 126 N 6.32 0.71 0.00 1.60 1.35 -1.94 0.14 112.91 121.10 1lof h THR 126 Ca -0.19 -0.08 -0.03 0.00 -0.55 0.00 0.00 66.41 65.56 1lof h THR 126 Cb 1.06 0.47 -0.00 0.00 -1.73 0.00 0.00 68.15 67.95 1lof h THR 126 CO 0.63 0.04 -0.14 0.00 -0.25 0.00 0.00 175.52 175.80 1lof h ALA 127 N 1.65 1.39 0.00 6.62 0.00 -2.02 -3.39 119.26 123.51 1lof h ALA 127 Ca 0.36 -0.13 0.00 0.00 0.00 0.00 0.00 54.91 55.14 1lof h ALA 127 Cb 1.10 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.87 1lof h ALA 127 CO -0.08 0.18 0.00 -2.67 0.00 0.00 0.00 179.25 176.68 1lof n TRP 128 N -3.83 0.00 -3.43 0.00 2.14 -0.04 -5.08 117.44 107.20 1lof n TRP 128 Ca -0.02 0.00 -0.29 0.00 2.07 0.00 0.00 57.50 59.26 1lof n TRP 128 Cb 0.24 0.01 -0.03 0.00 -0.81 0.00 0.00 31.31 30.72 1lof n TRP 128 CO 0.00 0.00 0.00 -0.51 2.07 0.00 0.00 177.69 179.25 1lof s ASP 129 N 0.00 6.45 0.23 -0.67 1.01 0.29 -4.63 116.67 119.35 1lof s ASP 129 Ca 0.00 0.66 -0.30 0.00 0.71 0.00 0.00 52.55 53.62 1lof s ASP 129 Cb 0.00 -2.12 -0.15 0.00 1.01 0.00 0.00 42.92 41.66 1lof s ASP 129 CO 0.00 -0.15 1.00 -0.81 0.21 0.00 0.00 175.17 175.42 1lof n PRO 130 N -0.79 1.10 0.07 8.23 -0.04 -1.26 -4.82 135.00 137.48 1lof n PRO 130 Ca -0.02 0.39 0.05 0.00 -0.04 0.00 0.00 63.50 63.87 1lof n PRO 130 Cb 0.54 -1.75 0.25 0.00 -0.04 0.00 0.00 33.50 32.50 1lof n PRO 130 CO 0.00 0.00 0.00 0.43 -0.04 0.00 0.00 175.50 175.89 1lof n SER 131 N 1.59 0.24 0.19 3.54 7.64 -1.26 -0.76 113.62 124.80 1lof n SER 131 Ca 0.13 0.61 0.08 0.00 1.01 0.00 0.00 58.87 60.69 1lof n SER 131 Cb 0.28 -0.64 0.23 0.00 -1.01 0.00 0.00 64.21 63.07 1lof n SER 131 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1lof h ASN 132 N 0.00 0.00 -0.01 6.43 -1.07 -2.04 -3.47 115.58 115.41 1lof h ASN 132 Ca 0.00 0.00 -0.00 0.00 0.07 0.00 0.00 56.30 56.37 1lof h ASN 132 Cb 0.02 0.00 -0.00 0.00 -2.07 0.00 0.00 38.32 36.26 1lof h ASN 132 CO 0.00 0.28 -0.00 0.61 0.07 0.00 0.00 177.43 178.39 1lof n GLY 133 N 0.79 0.46 3.86 9.14 0.00 0.07 -5.03 105.19 114.47 1lof n GLY 133 Ca 0.02 -0.45 -0.31 0.00 0.00 0.00 0.00 46.02 45.28 1lof n GLY 133 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1lof s ASP 134 N -2.42 5.90 0.55 1.61 1.01 -1.26 -4.77 116.67 117.29 1lof s ASP 134 Ca 0.00 1.39 -0.18 0.00 0.71 0.00 0.00 52.55 54.47 1lof s ASP 134 Cb 0.00 -2.36 -0.05 0.00 1.01 0.00 0.00 42.92 41.52 1lof s ASP 134 CO 0.00 -1.08 1.09 -0.60 0.21 0.00 0.00 175.17 174.79 1lof s ARG 135 N -5.19 3.37 0.16 8.23 6.06 -1.26 -4.79 118.95 125.53 1lof s ARG 135 Ca 0.56 1.46 -0.24 0.00 -2.50 0.00 0.00 55.73 55.01 1lof s ARG 135 Cb -0.12 -2.02 0.06 0.00 0.06 0.00 0.00 34.95 32.94 1lof s ARG 135 CO 0.54 -0.80 0.70 -3.38 -2.50 0.00 0.00 175.30 169.85 1lof s HIS 136 N -2.01 -0.40 0.06 5.12 -3.43 0.14 -0.52 115.29 114.25 1lof s HIS 136 Ca 0.69 0.14 -0.03 0.00 -0.80 0.00 0.00 55.06 55.06 1lof s HIS 136 Cb -0.20 0.60 -0.05 0.00 -1.43 0.00 0.00 32.58 31.50 1lof s HIS 136 CO 0.29 -0.89 0.26 0.42 -2.00 0.00 0.00 174.74 172.82 1lof s ILE 137 N -3.65 5.32 0.17 -5.38 1.01 0.41 -1.16 121.20 117.92 1lof s ILE 137 Ca 0.05 -0.12 -0.22 0.00 0.00 0.00 0.00 60.65 60.36 1lof s ILE 137 Cb -0.02 -3.60 0.06 0.00 0.01 0.00 0.00 42.46 38.91 1lof s ILE 137 CO -0.07 0.20 0.60 -0.83 0.00 0.00 0.00 174.94 174.84 1lof s GLY 138 N -2.22 -0.51 -0.18 6.18 0.00 -0.84 -1.25 107.32 108.50 1lof s GLY 138 Ca 0.34 0.32 -0.01 0.00 0.00 0.00 0.00 44.72 45.38 1lof s GLY 138 CO 0.23 0.08 -0.14 -0.42 0.00 0.00 0.00 173.10 172.85 1lof s ILE 139 N -3.78 2.62 -0.22 0.90 1.01 -0.96 -0.82 121.20 119.95 1lof s ILE 139 Ca 0.03 -0.76 -0.04 0.00 0.00 0.00 0.00 60.65 59.87 1lof s ILE 139 Cb -0.01 -2.13 -0.01 0.00 0.01 0.00 0.00 42.46 40.31 1lof s ILE 139 CO -0.10 0.50 -0.02 -1.81 0.00 0.00 0.00 174.94 173.51 1lof s ASP 140 N 1.16 4.47 -0.33 3.58 1.01 -0.37 -0.87 116.67 125.33 1lof s ASP 140 Ca 0.01 -0.34 0.00 0.00 0.71 0.00 0.00 52.55 52.94 1lof s ASP 140 Cb -0.14 -1.77 0.08 0.00 1.01 0.00 0.00 42.92 42.10 1lof s ASP 140 CO -0.06 -0.01 0.04 -0.69 0.21 0.00 0.00 175.17 174.67 1lof s VAL 141 N 1.40 2.73 -1.09 -1.27 1.01 -1.26 -1.64 120.40 120.27 1lof s VAL 141 Ca 0.05 -1.84 0.00 0.00 0.00 0.00 0.00 61.98 60.18 1lof s VAL 141 Cb -0.14 -2.76 0.00 0.00 0.00 0.00 0.00 36.38 33.47 1lof s VAL 141 CO -0.01 -0.36 0.00 0.59 0.00 0.00 0.00 175.10 175.31 1lof n ASN 142 N 4.48 -4.91 -3.51 3.32 3.02 -0.03 -4.87 115.26 112.76 1lof n ASN 142 Ca -0.06 0.25 -0.15 0.00 -0.03 0.00 0.00 54.58 54.60 1lof n ASN 142 Cb 0.42 -3.32 -0.05 0.00 -0.61 0.00 0.00 39.78 36.23 1lof n ASN 142 CO 0.00 0.00 0.00 -0.55 -2.62 0.00 0.00 177.26 174.09 1lof s SER 143 N -2.58 -0.56 0.05 6.41 0.15 -1.26 -2.07 113.70 113.84 1lof s SER 143 Ca 0.00 0.46 0.27 0.00 0.70 0.00 0.00 55.95 57.39 1lof s SER 143 Cb 0.00 0.49 1.09 0.00 -1.71 0.00 0.00 66.02 65.89 1lof s SER 143 CO 0.00 -0.62 1.86 0.00 1.20 0.00 0.00 173.24 175.68 1lof n ILE 144 N 0.54 0.22 -2.72 6.45 0.13 -0.21 -4.60 119.36 119.18 1lof n ILE 144 Ca -0.16 -0.04 -0.43 0.00 -1.10 0.00 0.00 62.75 61.02 1lof n ILE 144 Cb 0.59 -0.57 -0.03 0.00 -0.84 0.00 0.00 39.64 38.79 1lof n ILE 144 CO 0.00 0.00 0.00 -0.75 2.80 0.00 0.00 176.55 178.60 1lof s LYS 145 N -3.03 3.93 0.30 9.51 2.20 -1.26 -4.95 119.74 126.44 1lof s LYS 145 Ca 0.13 0.78 -0.29 0.00 -0.36 0.00 0.00 55.97 56.23 1lof s LYS 145 Cb 0.17 -3.78 -0.10 0.00 -1.51 0.00 0.00 37.83 32.60 1lof s LYS 145 CO 0.52 -0.97 1.18 -1.12 -0.36 0.00 0.00 175.35 174.61 1lof s SER 146 N 1.84 7.07 0.11 1.43 0.01 -1.26 -4.71 113.70 118.19 1lof s SER 146 Ca 0.42 2.43 0.25 0.00 1.31 0.00 0.00 55.95 60.36 1lof s SER 146 Cb -0.12 -2.64 0.95 0.00 0.21 0.00 0.00 66.02 64.43 1lof s SER 146 CO 0.18 -0.30 1.77 2.30 0.41 0.00 0.00 173.24 177.61 1lof n ILE 147 N 1.02 0.49 -3.58 1.44 -5.35 -0.05 -4.81 119.36 108.53 1lof n ILE 147 Ca -0.01 -0.02 -0.13 0.00 -0.27 0.00 0.00 62.75 62.32 1lof n ILE 147 Cb 0.44 -0.71 -0.06 0.00 -1.74 0.00 0.00 39.64 37.56 1lof n ILE 147 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 1lof s ASN 148 N -3.73 -0.52 0.03 7.28 3.04 -1.24 -5.02 114.94 114.77 1lof s ASN 148 Ca 0.10 0.74 -0.07 0.00 0.04 0.00 0.00 52.86 53.67 1lof s ASN 148 Cb 0.14 0.65 -0.00 0.00 -1.54 0.00 0.00 41.25 40.50 1lof s ASN 148 CO 0.49 -0.37 0.14 0.42 -3.04 0.00 0.00 177.10 174.74 1lof s THR 149 N -0.64 0.11 -0.03 -5.21 -4.23 -1.26 -2.26 115.64 102.11 1lof s THR 149 Ca -0.03 -0.91 0.02 0.00 -1.18 0.00 0.00 61.69 59.59 1lof s THR 149 Cb -0.02 -0.75 0.01 0.00 1.34 0.00 0.00 72.50 73.08 1lof s THR 149 CO 0.02 -0.50 -0.08 -0.75 -0.54 0.00 0.00 174.62 172.77 1lof s LYS 150 N -2.21 0.99 0.50 3.99 2.20 -0.38 -4.98 119.74 119.85 1lof s LYS 150 Ca -0.08 -0.27 -0.22 0.00 -0.36 0.00 0.00 55.97 55.04 1lof s LYS 150 Cb -0.03 -0.92 -0.06 0.00 -1.51 0.00 0.00 37.83 35.30 1lof s LYS 150 CO -0.02 0.07 1.20 -1.12 -0.36 0.00 0.00 175.35 175.11 1lof s SER 151 N 0.37 5.87 -0.05 1.43 0.01 -1.26 -0.45 113.70 119.62 1lof s SER 151 Ca -0.06 2.37 -0.03 0.00 1.31 0.00 0.00 55.95 59.54 1lof s SER 151 Cb -0.10 -2.60 0.02 0.00 0.21 0.00 0.00 66.02 63.54 1lof s SER 151 CO 0.01 -1.13 0.12 0.86 0.41 0.00 0.00 173.24 173.51 1lof s TRP 152 N -1.54 -0.13 -0.35 2.43 -0.00 0.32 -4.74 118.94 114.93 1lof s TRP 152 Ca 0.67 0.35 -0.19 0.00 -0.00 0.00 0.00 56.10 56.94 1lof s TRP 152 Cb -0.30 -0.01 -0.00 0.00 -0.00 0.00 0.00 33.47 33.15 1lof s TRP 152 CO 0.36 -0.10 0.55 0.00 -0.00 0.00 0.00 176.95 177.76 1lof s ALA 153 N 0.48 3.47 0.06 5.86 0.00 -1.26 -4.10 121.76 126.27 1lof s ALA 153 Ca -0.03 -0.96 -0.31 0.00 0.00 0.00 0.00 51.96 50.66 1lof s ALA 153 Cb -0.05 -3.07 -0.07 0.00 0.00 0.00 0.00 23.12 19.93 1lof s ALA 153 CO -0.02 -1.26 1.41 -1.17 0.00 0.00 0.00 175.76 174.72 1lof s LEU 154 N 2.49 4.35 -0.48 0.00 1.98 -1.26 -4.99 118.68 120.78 1lof s LEU 154 Ca 0.20 2.24 -0.11 0.00 -2.89 0.00 0.00 54.13 53.58 1lof s LEU 154 Cb -0.15 -3.57 0.11 0.00 0.66 0.00 0.00 46.19 43.24 1lof s LEU 154 CO 0.14 -0.69 0.37 -1.10 -1.89 0.00 0.00 176.35 173.17 1lof s GLN 155 N 1.77 2.65 -0.02 1.98 -0.21 -1.26 -5.05 119.66 119.52 1lof s GLN 155 Ca 0.65 -1.66 -0.30 0.00 0.02 0.00 0.00 55.36 54.07 1lof s GLN 155 Cb -0.35 -3.99 -0.08 0.00 1.00 0.00 0.00 33.01 29.59 1lof s GLN 155 CO 0.29 -1.16 1.98 1.21 -2.12 0.00 0.00 175.29 175.49 1lof s ASN 156 N 2.76 6.29 0.00 5.90 3.04 -1.26 -1.80 114.94 129.87 1lof s ASN 156 Ca 0.04 2.49 0.00 0.00 0.04 0.00 0.00 52.86 55.44 1lof s ASN 156 Cb -0.26 -2.53 0.00 0.00 -1.54 0.00 0.00 41.25 36.92 1lof s ASN 156 CO 0.01 -1.21 0.00 0.61 -3.04 0.00 0.00 177.10 173.47 1lof n GLY 157 N 4.73 3.18 3.82 1.21 0.00 0.64 -4.94 105.19 113.83 1lof n GLY 157 Ca 0.21 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.92 1lof n GLY 157 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1lof s LYS 158 N -0.56 3.23 0.16 1.61 -0.14 -0.74 -4.84 119.74 118.45 1lof s LYS 158 Ca 0.00 1.03 -0.18 0.00 -1.36 0.00 0.00 55.97 55.46 1lof s LYS 158 Cb 0.00 -2.03 -0.07 0.00 -1.68 0.00 0.00 37.83 34.05 1lof s LYS 158 CO 0.00 -0.87 0.63 -1.21 -0.76 0.00 0.00 175.35 173.14 1lof s GLU 159 N -4.61 4.17 0.00 1.68 2.02 -1.26 -4.40 118.70 116.30 1lof s GLU 159 Ca 0.60 0.73 0.06 0.00 0.02 0.00 0.00 54.97 56.38 1lof s GLU 159 Cb -0.14 -3.01 -0.02 0.00 0.10 0.00 0.00 34.13 31.06 1lof s GLU 159 CO 0.46 0.50 -0.20 0.00 0.02 0.00 0.00 175.26 176.04 1lof s ALA 160 N -1.37 1.66 -0.13 5.21 0.00 -0.33 -4.19 121.76 122.61 1lof s ALA 160 Ca 0.37 -0.90 -0.03 0.00 0.00 0.00 0.00 51.96 51.40 1lof s ALA 160 Cb -0.17 -0.39 -0.03 0.00 0.00 0.00 0.00 23.12 22.52 1lof s ALA 160 CO 0.20 0.40 -0.01 -0.80 0.00 0.00 0.00 175.76 175.55 1lof s ASN 161 N -0.65 5.05 -0.03 0.00 0.01 -0.62 -1.06 114.94 117.63 1lof s ASN 161 Ca 0.07 0.00 0.05 0.00 -0.71 0.00 0.00 52.86 52.28 1lof s ASN 161 Cb -0.08 -1.65 -0.01 0.00 0.41 0.00 0.00 41.25 39.93 1lof s ASN 161 CO -0.00 0.26 -0.18 -0.69 -1.51 0.00 0.00 177.10 174.98 1lof s VAL 162 N -0.17 1.48 -0.10 1.60 1.01 -0.23 -1.08 120.40 122.91 1lof s VAL 162 Ca 0.04 -0.77 0.03 0.00 0.00 0.00 0.00 61.98 61.28 1lof s VAL 162 Cb -0.13 -1.25 -0.01 0.00 0.00 0.00 0.00 36.38 34.99 1lof s VAL 162 CO 0.02 0.42 -0.20 -0.69 0.00 0.00 0.00 175.10 174.65 1lof s VAL 163 N -0.21 2.40 -0.08 2.92 1.01 -0.68 -2.02 120.40 123.75 1lof s VAL 163 Ca 0.02 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.12 1lof s VAL 163 Cb -0.09 -1.94 0.01 0.00 0.00 0.00 0.00 36.38 34.35 1lof s VAL 163 CO 0.01 0.55 -0.16 -0.63 0.00 0.00 0.00 175.10 174.87 1lof s ILE 164 N 0.22 1.45 0.04 2.22 1.01 0.40 -1.48 121.20 125.07 1lof s ILE 164 Ca -0.13 -0.66 0.04 0.00 0.00 0.00 0.00 60.65 59.90 1lof s ILE 164 Cb -0.16 -1.30 -0.02 0.00 0.01 0.00 0.00 42.46 40.99 1lof s ILE 164 CO 0.07 0.43 -0.13 0.00 0.00 0.00 0.00 174.94 175.31 1lof s ALA 165 N 0.57 1.03 -0.09 9.38 0.00 -0.21 -0.94 121.76 131.51 1lof s ALA 165 Ca -0.16 -0.81 0.02 0.00 0.00 0.00 0.00 51.96 51.01 1lof s ALA 165 Cb -0.17 -0.13 0.02 0.00 0.00 0.00 0.00 23.12 22.84 1lof s ALA 165 CO 0.05 0.17 -0.13 0.12 0.00 0.00 0.00 175.76 175.97 1lof s PHE 166 N -0.95 1.70 -0.38 0.00 5.36 0.05 -2.03 117.98 121.73 1lof s PHE 166 Ca -0.01 -0.74 -0.10 0.00 -0.96 0.00 0.00 56.93 55.12 1lof s PHE 166 Cb -0.08 -1.26 0.04 0.00 -0.34 0.00 0.00 43.02 41.38 1lof s PHE 166 CO 0.01 -0.40 0.21 1.21 -1.46 0.00 0.00 175.22 174.79 1lof s ASN 167 N 0.96 5.69 0.50 6.13 3.84 -0.83 -2.18 114.94 129.05 1lof s ASN 167 Ca -0.08 -1.09 0.29 0.00 0.21 0.00 0.00 52.86 52.19 1lof s ASN 167 Cb -0.15 -2.00 1.14 0.00 -0.55 0.00 0.00 41.25 39.68 1lof s ASN 167 CO -0.00 -0.41 1.90 0.00 -2.79 0.00 0.00 177.10 175.80 1lof h ALA 168 N 8.42 1.02 -0.05 1.71 0.00 -1.88 0.29 119.26 128.77 1lof h ALA 168 Ca -0.25 -0.09 -0.11 0.00 0.00 0.00 0.00 54.91 54.46 1lof h ALA 168 Cb 1.10 -0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.86 1lof h ALA 168 CO 0.68 0.12 -0.48 0.00 0.00 0.00 0.00 179.25 179.57 1lof h ALA 169 N 1.90 1.11 0.00 0.00 0.00 -1.93 -3.25 119.26 117.09 1lof h ALA 169 Ca -0.00 -0.45 0.00 0.00 0.00 0.00 0.00 54.91 54.46 1lof h ALA 169 Cb 0.63 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.33 1lof h ALA 169 CO 0.01 0.63 -0.35 0.25 0.00 0.00 0.00 179.25 179.79 1lof n THR 170 N -3.96 0.00 -1.36 0.00 -2.24 -1.09 -5.00 114.28 100.63 1lof n THR 170 Ca -0.02 -0.34 -0.12 0.00 -2.27 0.00 0.00 64.05 61.30 1lof n THR 170 Cb 0.52 0.96 -0.05 0.00 -2.10 0.00 0.00 70.33 69.66 1lof n THR 170 CO 0.00 0.00 0.00 0.59 -0.57 0.00 0.00 175.07 175.09 1lof n ASN 171 N -1.18 -4.95 -4.74 3.42 3.02 0.10 -4.97 115.26 105.95 1lof n ASN 171 Ca 0.01 0.30 -0.40 0.00 -0.03 0.00 0.00 54.58 54.46 1lof n ASN 171 Cb 0.10 -3.53 -0.05 0.00 -0.61 0.00 0.00 39.78 35.69 1lof n ASN 171 CO 0.00 0.00 0.00 -0.69 -2.62 0.00 0.00 177.26 173.95 1lof s VAL 172 N -2.29 4.74 -0.14 2.41 1.01 -1.16 -4.88 120.40 120.09 1lof s VAL 172 Ca 0.00 1.62 -0.04 0.00 0.00 0.00 0.00 61.98 63.56 1lof s VAL 172 Cb 0.00 -4.11 -0.03 0.00 0.00 0.00 0.00 36.38 32.24 1lof s VAL 172 CO 0.00 0.36 -0.01 -0.22 0.00 0.00 0.00 175.10 175.24 1lof s LEU 173 N -0.05 3.45 0.00 3.92 0.20 -1.26 -1.96 118.68 122.98 1lof s LEU 173 Ca 0.38 -0.02 0.04 0.00 0.69 0.00 0.00 54.13 55.23 1lof s LEU 173 Cb -0.20 -1.83 -0.01 0.00 -0.43 0.00 0.00 46.19 43.72 1lof s LEU 173 CO 0.23 0.23 -0.12 -0.89 -0.29 0.00 0.00 176.35 175.51 1lof s THR 174 N 0.03 0.94 -0.01 3.68 2.01 -0.86 -4.99 115.64 116.44 1lof s THR 174 Ca 0.02 -0.61 0.01 0.00 0.31 0.00 0.00 61.69 61.41 1lof s THR 174 Cb -0.13 -0.81 0.01 0.00 0.01 0.00 0.00 72.50 71.58 1lof s THR 174 CO 0.02 0.19 -0.02 0.54 -0.69 0.00 0.00 174.62 174.66 1lof s VAL 175 N -0.42 0.19 -0.10 3.82 0.11 -1.26 -1.04 120.40 121.70 1lof s VAL 175 Ca 0.03 -0.06 0.01 0.00 -2.93 0.00 0.00 61.98 59.04 1lof s VAL 175 Cb -0.05 -0.20 0.02 0.00 -1.53 0.00 0.00 36.38 34.62 1lof s VAL 175 CO -0.00 0.08 -0.10 -0.44 -3.33 0.00 0.00 175.10 171.31 1lof s SER 176 N 0.23 2.09 -0.16 3.54 0.01 -0.55 -5.00 113.70 113.86 1lof s SER 176 Ca -0.02 -0.32 -0.04 0.00 1.31 0.00 0.00 55.95 56.87 1lof s SER 176 Cb -0.04 -0.88 -0.03 0.00 0.21 0.00 0.00 66.02 65.28 1lof s SER 176 CO -0.01 -0.05 -0.02 -0.22 0.41 0.00 0.00 173.24 173.35 1lof s LEU 177 N 1.27 3.29 -0.07 2.44 1.98 -1.26 -1.68 118.68 124.65 1lof s LEU 177 Ca -0.03 -0.13 0.02 0.00 -2.89 0.00 0.00 54.13 51.11 1lof s LEU 177 Cb -0.14 -1.80 0.01 0.00 0.66 0.00 0.00 46.19 44.92 1lof s LEU 177 CO -0.04 0.15 -0.12 -0.89 -1.89 0.00 0.00 176.35 173.57 1lof s THR 178 N 0.46 1.11 -0.25 3.68 2.01 -0.24 -4.98 115.64 117.44 1lof s THR 178 Ca -0.03 -0.46 -0.19 0.00 0.31 0.00 0.00 61.69 61.33 1lof s THR 178 Cb -0.14 -1.03 -0.03 0.00 0.01 0.00 0.00 72.50 71.31 1lof s THR 178 CO 0.03 0.35 0.54 -0.31 -0.69 0.00 0.00 174.62 174.54 1lof s TYR 179 N 0.76 3.29 -0.78 4.92 2.02 -1.26 -1.60 117.35 124.70 1lof s TYR 179 Ca -0.13 0.71 0.00 0.00 -0.37 0.00 0.00 57.07 57.28 1lof s TYR 179 Cb -0.15 -2.74 0.00 0.00 -0.40 0.00 0.00 41.96 38.67 1lof s TYR 179 CO 0.03 -0.25 0.15 -0.35 -1.57 0.00 0.00 175.55 173.56 1lof n PRO 180 N 5.41 0.25 0.00 -1.71 -0.04 -1.26 -5.04 135.00 132.61 1lof n PRO 180 Ca -0.03 0.00 0.00 0.00 -0.04 0.00 0.00 63.50 63.43 1lof n PRO 180 Cb 0.50 -1.18 0.00 0.00 -0.04 0.00 0.00 33.50 32.78 1lof n PRO 180 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75