#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1f2t s LYS 2 N 0.00 0.20 0.18 2.12 2.20 0.01 -4.98 119.74 119.47 1f2t s LYS 2 Ca 0.00 0.44 -0.17 0.00 -0.36 0.00 0.00 55.97 55.88 1f2t s LYS 2 Cb 0.00 -0.06 -0.08 0.00 -1.51 0.00 0.00 37.83 36.19 1f2t s LYS 2 CO 0.00 -0.12 0.64 -0.51 -0.36 0.00 0.00 175.35 175.00 1f2t s LEU 3 N 0.90 4.35 -0.07 5.43 1.43 -1.26 -0.39 118.68 129.07 1f2t s LEU 3 Ca -0.06 1.27 -0.03 0.00 -1.03 0.00 0.00 54.13 54.27 1f2t s LEU 3 Cb -0.08 -3.43 -0.03 0.00 0.03 0.00 0.00 46.19 42.69 1f2t s LEU 3 CO -0.06 0.07 -0.09 1.21 0.23 0.00 0.00 176.35 177.72 1f2t n GLU 4 N 0.79 0.15 -3.68 1.70 2.13 -0.11 -4.53 120.64 117.09 1f2t n GLU 4 Ca -0.04 0.06 -0.12 0.00 0.66 0.00 0.00 57.16 57.72 1f2t n GLU 4 Cb 0.51 -0.78 -0.09 0.00 0.27 0.00 0.00 31.44 31.36 1f2t n GLU 4 CO 0.00 0.00 0.00 0.50 -0.41 0.00 0.00 177.13 177.22 1f2t s ARG 5 N -2.13 0.62 -0.06 5.31 3.52 -0.85 -1.00 118.95 124.37 1f2t s ARG 5 Ca -0.10 0.85 0.04 0.00 -0.13 0.00 0.00 55.73 56.39 1f2t s ARG 5 Cb 0.04 0.24 0.00 0.00 -1.56 0.00 0.00 34.95 33.67 1f2t s ARG 5 CO 0.12 -0.10 -0.16 0.54 -0.81 0.00 0.00 175.30 174.89 1f2t s VAL 6 N 0.67 1.40 -0.11 7.11 0.11 -0.38 -0.78 120.40 128.42 1f2t s VAL 6 Ca -0.03 -0.67 0.03 0.00 -2.93 0.00 0.00 61.98 58.38 1f2t s VAL 6 Cb -0.05 -1.23 0.01 0.00 -1.53 0.00 0.00 36.38 33.58 1f2t s VAL 6 CO -0.04 0.41 -0.20 -0.89 -3.33 0.00 0.00 175.10 171.04 1f2t s THR 7 N 0.28 1.82 -0.08 5.04 2.01 -0.34 -0.97 115.64 123.40 1f2t s THR 7 Ca -0.09 -0.86 -0.00 0.00 0.31 0.00 0.00 61.69 61.05 1f2t s THR 7 Cb -0.14 -1.60 0.02 0.00 0.01 0.00 0.00 72.50 70.79 1f2t s THR 7 CO 0.04 0.50 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.73 1f2t s VAL 8 N 0.63 0.74 -0.06 3.82 1.01 0.22 -0.97 120.40 125.80 1f2t s VAL 8 Ca -0.13 -0.15 0.03 0.00 0.00 0.00 0.00 61.98 61.72 1f2t s VAL 8 Cb -0.16 -0.79 0.01 0.00 0.00 0.00 0.00 36.38 35.43 1f2t s VAL 8 CO 0.04 0.31 -0.13 -0.54 0.00 0.00 0.00 175.10 174.77 1f2t s LYS 9 N 1.51 1.69 -1.25 2.72 1.02 0.18 -1.00 119.74 124.61 1f2t s LYS 9 Ca -0.01 -0.46 -0.08 0.00 0.02 0.00 0.00 55.97 55.45 1f2t s LYS 9 Cb -0.13 -1.41 0.01 0.00 -0.52 0.00 0.00 37.83 35.77 1f2t s LYS 9 CO -0.04 0.08 1.07 -1.71 -0.92 0.00 0.00 175.35 173.83 1f2t n ASN 10 N 3.61 -6.02 -4.01 2.83 4.05 0.39 -1.16 115.26 114.97 1f2t n ASN 10 Ca -0.21 -0.48 -0.31 0.00 0.45 0.00 0.00 54.58 54.02 1f2t n ASN 10 Cb 0.52 -4.64 -0.15 0.00 1.23 0.00 0.00 39.78 36.74 1f2t n ASN 10 CO 0.00 0.00 0.00 0.12 -3.05 0.00 0.00 177.26 174.33 1f2t s PHE 11 N -3.29 2.72 0.00 1.20 5.36 -0.70 -4.56 117.98 118.71 1f2t s PHE 11 Ca 0.53 -1.91 0.00 0.00 -0.96 0.00 0.00 56.93 54.59 1f2t s PHE 11 Cb -0.23 -1.73 0.00 0.00 -0.34 0.00 0.00 43.02 40.72 1f2t s PHE 11 CO 0.65 -0.80 0.00 0.54 -1.46 0.00 0.00 175.22 174.15 1f2t n ARG 12 N 4.59 0.00 0.00 10.12 1.74 -1.26 -1.10 116.66 130.75 1f2t n ARG 12 Ca -0.14 0.00 0.13 0.00 -0.77 0.00 0.00 57.85 57.08 1f2t n ARG 12 Cb 0.44 0.00 0.72 0.00 -1.02 0.00 0.00 32.46 32.60 1f2t n ARG 12 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 1f2t n SER 13 N 3.36 0.00 -4.55 0.55 3.41 -1.26 -4.68 113.62 110.45 1f2t n SER 13 Ca 0.00 -0.35 -0.42 0.00 -0.26 0.00 0.00 58.87 57.84 1f2t n SER 13 Cb 0.00 -0.19 -0.03 0.00 -0.26 0.00 0.00 64.21 63.73 1f2t n SER 13 CO 0.00 0.00 0.00 -1.00 -0.16 0.00 0.00 175.04 173.88 1f2t s HIS 14 N -2.39 2.57 -0.12 7.33 3.76 -0.26 -4.86 115.29 121.34 1f2t s HIS 14 Ca 0.31 0.11 -0.16 0.00 -0.15 0.00 0.00 55.06 55.17 1f2t s HIS 14 Cb 0.18 -4.42 -0.26 0.00 1.11 0.00 0.00 32.58 29.19 1f2t s HIS 14 CO 0.38 -1.66 0.51 0.66 -0.85 0.00 0.00 174.74 173.78 1f2t h SER 15 N 9.61 0.33 -1.20 1.40 4.64 -1.83 0.14 113.55 126.63 1f2t h SER 15 Ca -0.26 -0.83 -0.16 0.00 -0.47 0.00 0.00 61.79 60.07 1f2t h SER 15 Cb 1.06 -0.11 -0.21 0.00 -0.31 0.00 0.00 62.40 62.84 1f2t h SER 15 CO 1.19 1.61 -0.52 -0.62 -0.87 0.00 0.00 176.83 177.61 1f2t s ASP 16 N -6.99 -0.99 -0.12 4.97 -1.08 -1.25 -2.89 116.67 108.32 1f2t s ASP 16 Ca -0.21 -1.31 -0.02 0.00 -0.52 0.00 0.00 52.55 50.49 1f2t s ASP 16 Cb 0.04 1.63 -0.03 0.00 -1.46 0.00 0.00 42.92 43.11 1f2t s ASP 16 CO 0.74 -0.14 -0.03 -0.89 0.52 0.00 0.00 175.17 175.37 1f2t s THR 17 N 1.39 4.01 -0.06 1.71 2.01 -0.17 -4.98 115.64 119.55 1f2t s THR 17 Ca 0.21 -0.34 0.01 0.00 0.31 0.00 0.00 61.69 61.88 1f2t s THR 17 Cb -0.04 -2.72 0.02 0.00 0.01 0.00 0.00 72.50 69.78 1f2t s THR 17 CO -0.06 0.54 -0.05 -0.69 -0.69 0.00 0.00 174.62 173.67 1f2t s VAL 18 N -0.21 0.61 -0.10 3.82 1.01 -1.26 -0.61 120.40 123.66 1f2t s VAL 18 Ca 0.04 -0.13 0.01 0.00 0.00 0.00 0.00 61.98 61.90 1f2t s VAL 18 Cb -0.13 -0.65 0.02 0.00 0.00 0.00 0.00 36.38 35.62 1f2t s VAL 18 CO 0.02 0.26 -0.12 -0.69 0.00 0.00 0.00 175.10 174.57 1f2t s VAL 19 N 1.13 1.29 -0.25 2.92 1.01 -0.14 -5.01 120.40 121.34 1f2t s VAL 19 Ca -0.08 -0.50 -0.09 0.00 0.00 0.00 0.00 61.98 61.31 1f2t s VAL 19 Cb -0.14 -1.21 -0.04 0.00 0.00 0.00 0.00 36.38 34.99 1f2t s VAL 19 CO -0.01 0.40 0.12 -1.61 0.00 0.00 0.00 175.10 174.00 1f2t s GLU 20 N 1.18 3.86 -0.03 2.72 0.41 -1.26 -1.25 118.70 124.33 1f2t s GLU 20 Ca -0.04 -0.38 -0.06 0.00 -0.41 0.00 0.00 54.97 54.08 1f2t s GLU 20 Cb -0.14 -3.46 -0.04 0.00 -1.78 0.00 0.00 34.13 28.71 1f2t s GLU 20 CO -0.03 -0.09 0.23 -0.06 -0.49 0.00 0.00 175.26 174.81 1f2t s PHE 21 N 1.43 3.59 0.24 1.61 0.08 -0.17 -5.00 117.98 119.76 1f2t s PHE 21 Ca 0.06 0.55 0.01 0.00 0.12 0.00 0.00 56.93 57.67 1f2t s PHE 21 Cb -0.15 -1.97 -0.01 0.00 -0.57 0.00 0.00 43.02 40.33 1f2t s PHE 21 CO 0.06 0.65 0.05 1.63 -0.10 0.00 0.00 175.22 177.52 1f2t n LYS 22 N 1.34 0.94 -1.48 0.44 5.02 -1.26 -4.57 118.16 118.59 1f2t n LYS 22 Ca -0.13 -1.93 -0.32 0.00 -2.02 0.00 0.00 58.31 53.90 1f2t n LYS 22 Cb 0.53 0.86 0.07 0.00 -0.02 0.00 0.00 35.03 36.48 1f2t n LYS 22 CO 0.00 0.00 0.00 -2.00 -0.52 0.00 0.00 177.40 174.88 1f2t s GLU 23 N -2.90 2.46 1.64 1.97 2.12 -1.26 -4.84 118.70 117.89 1f2t s GLU 23 Ca 0.08 1.30 0.00 0.00 0.36 0.00 0.00 54.97 56.71 1f2t s GLU 23 Cb 0.00 -1.91 0.00 0.00 0.26 0.00 0.00 34.13 32.48 1f2t s GLU 23 CO 0.05 -1.50 0.00 0.41 -0.54 0.00 0.00 175.26 173.68 1f2t n GLY 24 N -0.79 -1.63 3.60 -1.50 0.00 -1.26 -4.77 105.19 98.84 1f2t n GLY 24 Ca 0.10 -1.40 -0.43 0.00 0.00 0.00 0.00 46.02 44.29 1f2t n GLY 24 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1f2t s ILE 25 N 0.00 4.45 -0.41 -0.61 1.01 -1.26 -5.00 121.20 119.38 1f2t s ILE 25 Ca 0.00 1.23 -0.11 0.00 0.00 0.00 0.00 60.65 61.77 1f2t s ILE 25 Cb 0.00 -4.44 0.06 0.00 0.01 0.00 0.00 42.46 38.09 1f2t s ILE 25 CO 0.00 -0.70 0.26 0.20 0.00 0.00 0.00 174.94 174.70 1f2t s ASN 26 N 2.06 5.76 -0.16 3.58 0.01 -1.26 -5.06 114.94 119.87 1f2t s ASN 26 Ca 0.42 -1.29 -0.17 0.00 -0.71 0.00 0.00 52.86 51.11 1f2t s ASN 26 Cb -0.10 -2.03 -0.04 0.00 0.41 0.00 0.00 41.25 39.48 1f2t s ASN 26 CO 0.23 -0.50 0.46 -0.22 -1.51 0.00 0.00 177.10 175.56 1f2t s LEU 27 N 1.51 4.22 -0.33 0.60 2.96 -1.26 -5.04 118.68 121.34 1f2t s LEU 27 Ca 0.03 0.70 -0.02 0.00 -0.22 0.00 0.00 54.13 54.62 1f2t s LEU 27 Cb -0.22 -2.64 0.07 0.00 0.50 0.00 0.00 46.19 43.90 1f2t s LEU 27 CO 0.05 -0.05 0.05 -0.63 -1.32 0.00 0.00 176.35 174.44 1f2t s ILE 28 N 1.00 3.04 0.04 6.68 1.01 -1.26 -5.09 121.20 126.62 1f2t s ILE 28 Ca 0.23 -1.57 -0.00 0.00 0.00 0.00 0.00 60.65 59.31 1f2t s ILE 28 Cb -0.15 -2.85 -0.04 0.00 0.01 0.00 0.00 42.46 39.43 1f2t s ILE 28 CO 0.09 -0.26 0.17 -0.63 0.00 0.00 0.00 174.94 174.31 1f2t s ILE 29 N 1.21 5.22 0.00 2.92 1.01 -1.26 -5.08 121.20 125.23 1f2t s ILE 29 Ca -0.01 -0.39 0.00 0.00 0.00 0.00 0.00 60.65 60.25 1f2t s ILE 29 Cb -0.20 -3.51 0.00 0.00 0.01 0.00 0.00 42.46 38.76 1f2t s ILE 29 CO -0.02 0.20 0.00 0.61 0.00 0.00 0.00 174.94 175.73 1f2t n GLY 30 N 0.54 1.89 3.87 6.18 0.00 -1.26 -5.02 105.19 111.40 1f2t n GLY 30 Ca -0.08 -0.72 -0.34 0.00 0.00 0.00 0.00 46.02 44.88 1f2t n GLY 30 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 1f2t s GLN 31 N -2.00 3.72 -0.12 1.61 -2.07 -1.26 -4.95 119.66 114.59 1f2t s GLN 31 Ca 0.00 0.11 -0.41 0.00 -1.82 0.00 0.00 55.36 53.24 1f2t s GLN 31 Cb 0.00 -2.97 -0.20 0.00 -1.09 0.00 0.00 33.01 28.76 1f2t s GLN 31 CO 0.00 0.54 1.24 0.09 -1.32 0.00 0.00 175.29 175.85 1f2t n ASN 32 N 0.74 0.51 0.00 12.60 5.03 -1.26 0.10 115.26 132.99 1f2t n ASN 32 Ca -0.07 1.16 0.00 0.00 0.87 0.00 0.00 54.58 56.54 1f2t n ASN 32 Cb 0.52 -0.94 0.00 0.00 -1.02 0.00 0.00 39.78 38.34 1f2t n ASN 32 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1f2t n GLY 33 N 2.27 2.35 0.35 7.41 0.00 -1.26 -4.96 105.19 111.35 1f2t n GLY 33 Ca 0.23 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.24 1f2t n GLY 33 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1f2t h SER 34 N 0.00 1.02 0.00 1.61 4.64 -0.70 -3.46 113.55 116.66 1f2t h SER 34 Ca 0.00 -0.01 0.00 0.00 -0.47 0.00 0.00 61.79 61.31 1f2t h SER 34 Cb 0.00 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.85 1f2t h SER 34 CO 0.00 0.71 0.00 0.61 -0.87 0.00 0.00 176.83 177.28 1f2t n GLY 35 N -1.35 1.05 0.25 -0.77 0.00 -1.26 -5.00 105.19 98.10 1f2t n GLY 35 Ca 0.12 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.12 1f2t n GLY 35 CO 0.00 0.00 0.00 0.07 0.00 0.00 0.00 173.32 173.39 1f2t h LYS 36 N 1.05 0.51 -0.19 1.61 2.10 -1.89 -1.24 116.57 118.52 1f2t h LYS 36 Ca 0.00 -0.15 -0.07 0.00 -2.00 0.00 0.00 60.65 58.43 1f2t h LYS 36 Cb 0.00 -0.05 -0.00 0.00 -0.90 0.00 0.00 32.23 31.28 1f2t h LYS 36 CO 0.00 0.64 -0.17 1.03 -2.00 0.00 0.00 179.45 178.95 1f2t h SER 37 N 0.46 0.47 0.98 7.07 0.87 -1.97 -2.92 113.55 118.52 1f2t h SER 37 Ca 0.08 -0.47 -0.03 0.00 -1.23 0.00 0.00 61.79 60.15 1f2t h SER 37 Cb 0.52 -0.13 -0.00 0.00 -0.44 0.00 0.00 62.40 62.34 1f2t h SER 37 CO 0.03 0.84 -0.14 0.77 -0.53 0.00 0.00 176.83 177.80 1f2t h SER 38 N 0.11 0.00 -0.42 6.23 4.64 -1.96 -2.41 113.55 119.73 1f2t h SER 38 Ca 0.03 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.34 1f2t h SER 38 Cb 0.70 0.00 -0.02 0.00 -0.31 0.00 0.00 62.40 62.78 1f2t h SER 38 CO 0.04 0.14 0.22 0.25 -0.87 0.00 0.00 176.83 176.62 1f2t h LEU 39 N 0.00 0.53 -0.84 5.97 5.85 -1.04 0.12 115.31 125.91 1f2t h LEU 39 Ca -0.00 -0.10 -0.06 0.00 0.84 0.00 0.00 57.88 58.56 1f2t h LEU 39 Cb 0.67 -0.14 -0.03 0.00 0.37 0.00 0.00 40.66 41.53 1f2t h LEU 39 CO 0.02 0.48 0.21 -0.07 -0.34 0.00 0.00 178.44 178.74 1f2t h LEU 40 N 0.55 1.00 -1.16 2.25 4.07 -1.34 -1.65 115.31 119.02 1f2t h LEU 40 Ca 0.15 -0.19 -0.04 0.00 0.08 0.00 0.00 57.88 57.89 1f2t h LEU 40 Cb 0.07 -0.26 -0.02 0.00 1.08 0.00 0.00 40.66 41.53 1f2t h LEU 40 CO -0.02 0.94 0.17 0.44 -1.08 0.00 0.00 178.44 178.89 1f2t h ASP 41 N 1.03 0.69 -0.40 -0.43 3.32 -1.03 -1.64 116.42 117.96 1f2t h ASP 41 Ca 0.22 -0.10 -0.08 0.00 0.02 0.00 0.00 57.03 57.10 1f2t h ASP 41 Cb 0.30 -0.18 -0.02 0.00 0.22 0.00 0.00 39.33 39.65 1f2t h ASP 41 CO -0.01 0.65 -0.01 0.00 -1.72 0.00 0.00 179.24 178.16 1f2t h ALA 42 N 1.45 1.08 -0.72 3.45 0.00 -0.13 -0.35 119.26 124.04 1f2t h ALA 42 Ca 0.17 -0.27 -0.06 0.00 0.00 0.00 0.00 54.91 54.75 1f2t h ALA 42 Cb 0.21 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 17.77 1f2t h ALA 42 CO -0.01 0.58 0.20 0.82 0.00 0.00 0.00 179.25 180.84 1f2t h ILE 43 N 0.75 1.26 -0.64 0.00 2.04 -0.72 0.13 117.51 120.32 1f2t h ILE 43 Ca 0.14 -0.93 -0.04 0.00 1.00 0.00 0.00 64.86 65.03 1f2t h ILE 43 Cb 0.47 0.50 -0.03 0.00 -0.74 0.00 0.00 36.82 37.02 1f2t h ILE 43 CO 0.02 0.36 0.24 -0.07 0.00 0.00 0.00 178.15 178.71 1f2t h LEU 44 N 1.07 0.90 -0.40 1.44 3.38 -0.80 -0.82 115.31 120.09 1f2t h LEU 44 Ca 0.23 -0.18 -0.04 0.00 0.09 0.00 0.00 57.88 57.98 1f2t h LEU 44 Cb 0.34 -0.23 -0.02 0.00 0.09 0.00 0.00 40.66 40.84 1f2t h LEU 44 CO -0.00 0.84 0.11 0.58 0.09 0.00 0.00 178.44 180.05 1f2t h VAL 45 N 0.91 1.22 -0.31 1.22 2.07 -0.80 0.26 116.25 120.81 1f2t h VAL 45 Ca 0.21 -0.75 0.07 0.00 0.82 0.00 0.00 66.70 67.05 1f2t h VAL 45 Cb 0.23 0.96 -0.06 0.00 -1.52 0.00 0.00 31.29 30.90 1f2t h VAL 45 CO -0.02 0.26 -0.10 1.23 0.02 0.00 0.00 177.57 178.97 1f2t h GLY 46 N 0.50 0.19 1.12 2.17 0.00 -0.26 -1.66 103.07 105.13 1f2t h GLY 46 Ca 0.13 0.13 -0.28 0.00 0.00 0.00 0.00 47.33 47.31 1f2t h GLY 46 CO -0.00 -0.14 -1.17 1.41 0.00 0.00 0.00 176.54 176.64 1f2t h LEU 47 N -0.03 0.80 -2.99 3.11 3.38 -1.03 -3.41 115.31 115.14 1f2t h LEU 47 Ca 0.16 -0.85 0.00 0.00 0.09 0.00 0.00 57.88 57.27 1f2t h LEU 47 Cb 0.27 -0.25 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1f2t h LEU 47 CO -0.34 1.57 0.00 -1.22 0.09 0.00 0.00 178.44 178.54 1f2t n TYR 48 N -3.87 0.22 -1.78 1.13 4.01 0.89 -4.92 117.16 112.83 1f2t n TYR 48 Ca -0.14 -0.61 -0.39 0.00 -0.16 0.00 0.00 57.90 56.60 1f2t n TYR 48 Cb 0.96 -0.08 0.03 0.00 -0.31 0.00 0.00 39.34 39.93 1f2t n TYR 48 CO 0.00 0.00 0.00 -0.46 -0.46 0.00 0.00 176.86 175.94 1f2t s TRP 49 N -1.45 2.39 0.08 -0.72 -0.11 -0.63 -3.98 118.94 114.52 1f2t s TRP 49 Ca 0.15 1.29 -0.25 0.00 1.22 0.00 0.00 56.10 58.51 1f2t s TRP 49 Cb 0.11 -3.90 -0.06 0.00 -1.50 0.00 0.00 33.47 28.12 1f2t s TRP 49 CO 0.06 -2.97 0.75 -1.25 -4.62 0.00 0.00 176.95 168.92 1f2t s PRO 50 N -2.59 4.50 0.22 5.86 0.04 -1.26 -4.56 135.00 137.21 1f2t s PRO 50 Ca 0.64 1.06 -0.15 0.00 0.04 0.00 0.00 61.00 62.60 1f2t s PRO 50 Cb -0.43 -3.33 0.01 0.00 0.04 0.00 0.00 34.50 30.79 1f2t s PRO 50 CO 0.54 0.38 0.49 -0.48 0.04 0.00 0.00 177.00 177.97 1f2t s LEU 51 N -0.39 0.26 -0.96 -3.56 2.34 -1.26 -5.10 118.68 110.03 1f2t s LEU 51 Ca 0.37 -0.74 -0.24 0.00 0.06 0.00 0.00 54.13 53.58 1f2t s LEU 51 Cb -0.21 1.92 0.04 0.00 -0.56 0.00 0.00 46.19 47.38 1f2t s LEU 51 CO 0.23 -1.10 1.45 -0.60 -1.06 0.00 0.00 176.35 175.27 1f2t s ARG 52 N -3.95 3.45 -0.09 1.48 3.52 -1.26 -4.92 118.95 117.17 1f2t s ARG 52 Ca 0.16 -0.89 -0.01 0.00 -0.13 0.00 0.00 55.73 54.86 1f2t s ARG 52 Cb -0.01 -5.12 0.03 0.00 -1.56 0.00 0.00 34.95 28.29 1f2t s ARG 52 CO 0.04 -2.27 -0.04 0.42 -0.81 0.00 0.00 175.30 172.63 1f2t s ILE 53 N 5.45 0.73 0.71 4.11 -1.09 -1.26 -5.14 121.20 124.71 1f2t s ILE 53 Ca 0.46 -0.11 -0.11 0.00 -2.23 0.00 0.00 60.65 58.65 1f2t s ILE 53 Cb -0.02 -0.81 0.02 0.00 -1.58 0.00 0.00 42.46 40.07 1f2t s ILE 53 CO -0.05 0.32 1.08 -1.59 -1.23 0.00 0.00 174.94 173.47 1f2t s LYS 54 N 1.76 2.81 -0.16 2.79 -2.85 -1.26 -4.09 119.74 118.74 1f2t s LYS 54 Ca 0.04 0.67 0.00 0.00 -1.00 0.00 0.00 55.97 55.68 1f2t s LYS 54 Cb -0.13 -2.00 0.00 0.00 -2.06 0.00 0.00 37.83 33.65 1f2t s LYS 54 CO -0.06 -1.12 0.00 -0.25 0.10 0.00 0.00 175.35 174.02 1f2t n ASP 55 N -3.10 -3.42 -0.12 0.03 8.00 -1.26 -4.90 116.55 111.79 1f2t n ASP 55 Ca 0.07 0.04 -0.25 0.00 0.71 0.00 0.00 54.79 55.36 1f2t n ASP 55 Cb 0.55 -1.05 -0.11 0.00 -0.02 0.00 0.00 41.12 40.50 1f2t n ASP 55 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1f2t n ILE 56 N -2.88 1.54 -3.41 0.53 2.08 -1.26 -4.60 119.36 111.36 1f2t n ILE 56 Ca -0.02 -0.17 -0.41 0.00 0.56 0.00 0.00 62.75 62.72 1f2t n ILE 56 Cb 0.09 -1.98 -0.09 0.00 -0.75 0.00 0.00 39.64 36.91 1f2t n ILE 56 CO 0.00 0.00 0.00 -0.54 0.56 0.00 0.00 176.55 176.57 1f2t s LYS 57 N -2.42 3.54 0.13 0.38 1.02 -1.26 -4.87 119.74 116.27 1f2t s LYS 57 Ca -0.32 -0.45 0.06 0.00 0.02 0.00 0.00 55.97 55.27 1f2t s LYS 57 Cb 0.09 -3.81 -0.04 0.00 -0.52 0.00 0.00 37.83 33.55 1f2t s LYS 57 CO 0.56 -0.52 -0.13 0.15 -0.92 0.00 0.00 175.35 174.48 1f2t s LYS 58 N 1.99 1.05 0.13 1.68 1.02 -1.26 -5.12 119.74 119.22 1f2t s LYS 58 Ca 0.11 -1.30 0.01 0.00 0.02 0.00 0.00 55.97 54.81 1f2t s LYS 58 Cb -0.17 -0.87 -0.04 0.00 -0.52 0.00 0.00 37.83 36.24 1f2t s LYS 58 CO 0.12 0.16 0.28 -0.51 -0.92 0.00 0.00 175.35 174.47 1f2t s ASP 59 N -2.64 6.35 -0.13 2.83 1.11 -1.26 -4.60 116.67 118.34 1f2t s ASP 59 Ca 0.11 0.24 -0.01 0.00 0.18 0.00 0.00 52.55 53.06 1f2t s ASP 59 Cb -0.03 -1.94 -0.02 0.00 1.07 0.00 0.00 42.92 41.99 1f2t s ASP 59 CO 0.03 0.08 -0.08 -0.70 1.18 0.00 0.00 175.17 175.67 1f2t s GLU 60 N -3.02 3.37 0.00 8.23 2.12 -1.26 -4.97 118.70 123.17 1f2t s GLU 60 Ca 0.35 -0.60 0.00 0.00 0.36 0.00 0.00 54.97 55.08 1f2t s GLU 60 Cb -0.12 -2.73 0.00 0.00 0.26 0.00 0.00 34.13 31.55 1f2t s GLU 60 CO 0.28 0.31 0.03 1.19 -0.54 0.00 0.00 175.26 176.53 1f2t n PHE 61 N 3.27 0.00 -3.52 5.30 3.72 -1.26 -5.06 117.46 119.91 1f2t n PHE 61 Ca -0.18 0.00 -0.12 0.00 -0.05 0.00 0.00 57.45 57.10 1f2t n PHE 61 Cb 0.53 0.00 -0.04 0.00 -0.94 0.00 0.00 39.48 39.03 1f2t n PHE 61 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 1f2t s THR 62 N -0.90 0.03 -0.47 4.37 -1.32 -1.26 -5.03 115.64 111.06 1f2t s THR 62 Ca 0.00 -0.22 0.24 0.00 -1.21 0.00 0.00 61.69 60.50 1f2t s THR 62 Cb 0.00 -1.04 0.33 0.00 -1.51 0.00 0.00 72.50 70.28 1f2t s THR 62 CO 0.00 -0.12 1.66 0.11 -2.21 0.00 0.00 174.62 174.06 1f2t h LYS 63 N 2.36 0.00 -6.52 7.08 1.57 -1.97 -3.40 116.57 115.69 1f2t h LYS 63 Ca -0.33 0.00 -0.53 0.00 -1.87 0.00 0.00 60.65 57.92 1f2t h LYS 63 Cb 1.26 0.00 0.03 0.00 0.08 0.00 0.00 32.23 33.60 1f2t h LYS 63 CO 0.41 0.00 0.90 0.08 -0.57 0.00 0.00 179.45 180.28 1f2t s VAL 64 N -3.21 2.93 0.00 0.50 1.01 -1.26 -1.54 120.40 118.83 1f2t s VAL 64 Ca 0.07 0.56 0.00 0.00 0.00 0.00 0.00 61.98 62.61 1f2t s VAL 64 Cb 0.07 -3.36 0.00 0.00 0.00 0.00 0.00 36.38 33.09 1f2t s VAL 64 CO 0.65 0.02 0.00 0.61 0.00 0.00 0.00 175.10 176.38 1f2t n GLY 65 N 3.81 1.05 3.62 4.51 0.00 -1.26 -4.96 105.19 111.95 1f2t n GLY 65 Ca 0.14 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.73 1f2t n GLY 65 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1f2t s ALA 66 N -3.00 3.10 0.02 4.61 0.00 -0.59 -4.96 121.76 120.95 1f2t s ALA 66 Ca 0.00 0.52 -0.18 0.00 0.00 0.00 0.00 51.96 52.31 1f2t s ALA 66 Cb 0.00 -3.93 0.03 0.00 0.00 0.00 0.00 23.12 19.22 1f2t s ALA 66 CO 0.00 -2.23 0.39 1.03 0.00 0.00 0.00 175.76 174.95 1f2t s ARG 67 N 5.18 0.85 0.55 0.00 0.52 -1.26 -5.06 118.95 119.72 1f2t s ARG 67 Ca 0.79 -0.29 -0.19 0.00 -0.52 0.00 0.00 55.73 55.52 1f2t s ARG 67 Cb -0.27 0.38 -0.06 0.00 0.52 0.00 0.00 34.95 35.53 1f2t s ARG 67 CO 0.32 -0.27 1.10 -0.51 0.02 0.00 0.00 175.30 175.96 1f2t s ASP 68 N -1.78 5.78 -0.12 0.23 1.01 -1.26 -4.64 116.67 115.88 1f2t s ASP 68 Ca -0.08 2.08 -0.18 0.00 0.71 0.00 0.00 52.55 55.08 1f2t s ASP 68 Cb -0.02 -2.57 -0.04 0.00 1.01 0.00 0.00 42.92 41.30 1f2t s ASP 68 CO 0.00 -1.17 0.47 -0.89 0.21 0.00 0.00 175.17 173.78 1f2t s THR 69 N -1.93 5.19 -0.04 -1.27 2.01 -0.48 -4.56 115.64 114.57 1f2t s THR 69 Ca 0.70 0.92 0.02 0.00 0.31 0.00 0.00 61.69 63.65 1f2t s THR 69 Cb -0.21 -3.80 0.01 0.00 0.01 0.00 0.00 72.50 68.50 1f2t s THR 69 CO 0.28 0.32 -0.07 -0.47 -0.69 0.00 0.00 174.62 173.99 1f2t s TYR 70 N 0.66 0.92 -0.06 4.92 5.04 -0.31 -0.41 117.35 128.11 1f2t s TYR 70 Ca 0.25 -0.26 -0.00 0.00 -2.44 0.00 0.00 57.07 54.62 1f2t s TYR 70 Cb -0.15 -0.72 0.03 0.00 0.35 0.00 0.00 41.96 41.47 1f2t s TYR 70 CO 0.10 -0.16 -0.02 0.42 -1.34 0.00 0.00 175.55 174.54 1f2t s ILE 71 N 0.57 0.45 -0.10 3.14 1.01 -0.35 -0.65 121.20 125.26 1f2t s ILE 71 Ca -0.09 0.01 0.03 0.00 0.00 0.00 0.00 60.65 60.59 1f2t s ILE 71 Cb -0.12 -0.54 0.01 0.00 0.01 0.00 0.00 42.46 41.82 1f2t s ILE 71 CO 0.01 0.24 -0.18 -0.62 0.00 0.00 0.00 174.94 174.39 1f2t s ASP 72 N 1.45 2.62 -0.07 3.58 2.15 -0.14 -0.54 116.67 125.72 1f2t s ASP 72 Ca -0.03 -0.47 0.02 0.00 0.43 0.00 0.00 52.55 52.50 1f2t s ASP 72 Cb -0.13 -1.19 0.02 0.00 -0.30 0.00 0.00 42.92 41.31 1f2t s ASP 72 CO -0.03 0.07 -0.11 -0.22 -0.17 0.00 0.00 175.17 174.71 1f2t s LEU 73 N 0.74 1.53 -0.14 -1.34 2.96 0.15 -1.20 118.68 121.39 1f2t s LEU 73 Ca -0.11 -0.29 -0.01 0.00 -0.22 0.00 0.00 54.13 53.50 1f2t s LEU 73 Cb -0.16 -0.80 -0.02 0.00 0.50 0.00 0.00 46.19 45.71 1f2t s LEU 73 CO 0.02 -0.00 -0.10 -0.63 -1.32 0.00 0.00 176.35 174.31 1f2t s ILE 74 N 0.90 3.29 0.27 6.68 1.01 0.04 -1.05 121.20 132.33 1f2t s ILE 74 Ca -0.10 -0.58 -0.10 0.00 0.00 0.00 0.00 60.65 59.88 1f2t s ILE 74 Cb -0.15 -2.40 -0.00 0.00 0.01 0.00 0.00 42.46 39.92 1f2t s ILE 74 CO 0.01 0.52 0.46 0.72 0.00 0.00 0.00 174.94 176.65 1f2t s PHE 75 N 0.35 0.58 0.02 3.97 -0.71 -0.54 -0.94 117.98 120.71 1f2t s PHE 75 Ca -0.09 -0.92 0.03 0.00 -1.04 0.00 0.00 56.93 54.91 1f2t s PHE 75 Cb -0.15 0.09 -0.02 0.00 -1.21 0.00 0.00 43.02 41.73 1f2t s PHE 75 CO 0.05 -1.02 -0.09 -2.00 -1.34 0.00 0.00 175.22 170.82 1f2t s GLU 76 N -3.74 0.63 -0.17 1.99 2.12 0.47 -0.36 118.70 119.65 1f2t s GLU 76 Ca 0.25 -0.53 -0.07 0.00 0.36 0.00 0.00 54.97 54.98 1f2t s GLU 76 Cb -0.00 -0.55 0.08 0.00 0.26 0.00 0.00 34.13 33.91 1f2t s GLU 76 CO 0.12 0.14 0.37 0.21 -0.54 0.00 0.00 175.26 175.55 1f2t s LYS 77 N -0.86 0.28 -1.46 4.30 2.20 -0.52 -0.81 119.74 122.87 1f2t s LYS 77 Ca -0.02 0.89 -0.10 0.00 -0.36 0.00 0.00 55.97 56.38 1f2t s LYS 77 Cb -0.06 0.15 0.06 0.00 -1.51 0.00 0.00 37.83 36.46 1f2t s LYS 77 CO 0.00 -0.24 0.97 -0.25 -0.36 0.00 0.00 175.35 175.48 1f2t n ASP 78 N 5.12 -4.38 0.00 1.43 8.00 -1.26 -2.36 116.55 123.10 1f2t n ASP 78 Ca -0.11 -0.74 0.00 0.00 0.71 0.00 0.00 54.79 54.64 1f2t n ASP 78 Cb 0.51 -4.15 0.00 0.00 -0.02 0.00 0.00 41.12 37.46 1f2t n ASP 78 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1f2t n GLY 79 N -1.71 1.71 3.53 0.44 0.00 -1.26 -5.04 105.19 102.86 1f2t n GLY 79 Ca -0.03 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.65 1f2t n GLY 79 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1f2t s THR 80 N -2.95 3.83 -0.16 2.61 2.01 -0.99 -5.09 115.64 114.90 1f2t s THR 80 Ca 0.00 -0.40 -0.16 0.00 0.31 0.00 0.00 61.69 61.44 1f2t s THR 80 Cb 0.00 -2.64 -0.04 0.00 0.01 0.00 0.00 72.50 69.83 1f2t s THR 80 CO 0.00 0.54 0.39 -0.75 -0.69 0.00 0.00 174.62 174.11 1f2t s LYS 81 N -0.09 4.26 0.18 4.92 2.20 -1.26 -1.44 119.74 128.50 1f2t s LYS 81 Ca 0.02 0.25 0.10 0.00 -0.36 0.00 0.00 55.97 55.98 1f2t s LYS 81 Cb -0.13 -3.46 -0.04 0.00 -1.51 0.00 0.00 37.83 32.68 1f2t s LYS 81 CO 0.03 0.12 -0.20 0.71 -0.36 0.00 0.00 175.35 175.65 1f2t s TYR 82 N 0.79 2.41 -0.04 4.03 2.02 0.51 -1.20 117.35 125.88 1f2t s TYR 82 Ca 0.21 -0.31 -0.02 0.00 -0.37 0.00 0.00 57.07 56.57 1f2t s TYR 82 Cb -0.14 -1.21 0.03 0.00 -0.40 0.00 0.00 41.96 40.24 1f2t s TYR 82 CO 0.07 0.48 0.06 0.50 -1.57 0.00 0.00 175.55 175.09 1f2t s ARG 83 N -2.61 -0.07 -0.14 -0.62 3.52 0.04 -1.47 118.95 117.60 1f2t s ARG 83 Ca 0.21 0.35 -0.00 0.00 -0.13 0.00 0.00 55.73 56.16 1f2t s ARG 83 Cb -0.09 -0.44 -0.01 0.00 -1.56 0.00 0.00 34.95 32.85 1f2t s ARG 83 CO 0.11 -0.30 -0.13 0.42 -0.81 0.00 0.00 175.30 174.60 1f2t s ILE 84 N 1.95 3.02 -0.09 4.11 1.01 -0.22 -0.44 121.20 130.54 1f2t s ILE 84 Ca 0.02 -0.66 0.03 0.00 0.00 0.00 0.00 60.65 60.03 1f2t s ILE 84 Cb -0.12 -2.28 0.01 0.00 0.01 0.00 0.00 42.46 40.08 1f2t s ILE 84 CO -0.03 0.51 -0.17 -0.89 0.00 0.00 0.00 174.94 174.36 1f2t s THR 85 N 0.53 1.56 -0.03 2.92 2.01 -0.31 -0.67 115.64 121.65 1f2t s THR 85 Ca -0.08 -0.71 0.04 0.00 0.31 0.00 0.00 61.69 61.24 1f2t s THR 85 Cb -0.16 -1.39 -0.00 0.00 0.01 0.00 0.00 72.50 70.96 1f2t s THR 85 CO 0.04 0.45 -0.13 -0.13 -0.69 0.00 0.00 174.62 174.16 1f2t s ARG 86 N 0.64 1.32 -0.06 4.92 0.52 0.30 -1.65 118.95 124.94 1f2t s ARG 86 Ca -0.14 -0.46 0.01 0.00 -0.52 0.00 0.00 55.73 54.62 1f2t s ARG 86 Cb -0.16 -1.20 0.02 0.00 0.52 0.00 0.00 34.95 34.13 1f2t s ARG 86 CO 0.04 0.20 -0.06 0.50 0.02 0.00 0.00 175.30 176.00 1f2t s ARG 87 N 0.03 1.09 -0.31 3.54 3.52 0.31 -1.21 118.95 125.91 1f2t s ARG 87 Ca -0.02 -0.17 -0.03 0.00 -0.13 0.00 0.00 55.73 55.38 1f2t s ARG 87 Cb -0.09 -1.06 0.05 0.00 -1.56 0.00 0.00 34.95 32.28 1f2t s ARG 87 CO 0.01 -0.09 0.03 -0.06 -0.81 0.00 0.00 175.30 174.38 1f2t s PHE 88 N 1.03 3.26 -0.20 5.12 0.40 0.45 -0.69 117.98 127.35 1f2t s PHE 88 Ca -0.09 -1.72 -0.28 0.00 -0.60 0.00 0.00 56.93 54.25 1f2t s PHE 88 Cb -0.14 -2.16 0.00 0.00 0.51 0.00 0.00 43.02 41.23 1f2t s PHE 88 CO -0.00 -0.78 0.97 -0.51 0.70 0.00 0.00 175.22 175.60 1f2t s LEU 89 N 1.30 4.13 -0.63 -0.37 1.43 -1.26 -1.39 118.68 121.90 1f2t s LEU 89 Ca -0.04 1.33 -0.06 0.00 -1.03 0.00 0.00 54.13 54.32 1f2t s LEU 89 Cb -0.20 -3.45 -0.15 0.00 0.03 0.00 0.00 46.19 42.42 1f2t s LEU 89 CO 0.00 -0.57 2.85 2.29 0.23 0.00 0.00 176.35 181.15 1f2t n LYS 90 N 5.91 2.30 -1.25 1.70 -0.00 -1.26 -4.86 118.16 120.70 1f2t n LYS 90 Ca 0.09 -1.32 0.01 0.00 -0.00 0.00 0.00 58.31 57.09 1f2t n LYS 90 Cb 0.47 -2.26 -0.01 0.00 -0.00 0.00 0.00 35.03 33.23 1f2t n LYS 90 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1f2t n GLY 95 N 3.09 -3.78 3.10 2.58 0.00 -1.26 -4.07 105.19 104.85 1f2t n GLY 95 Ca 0.49 -0.96 -0.12 0.00 0.00 0.00 0.00 46.02 45.43 1f2t n GLY 95 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1f2t s GLU 96 N -5.06 0.63 -0.07 1.61 2.02 -1.26 -4.62 118.70 111.94 1f2t s GLU 96 Ca 0.00 -0.95 0.01 0.00 0.02 0.00 0.00 54.97 54.05 1f2t s GLU 96 Cb 0.00 -0.25 0.02 0.00 0.10 0.00 0.00 34.13 33.99 1f2t s GLU 96 CO 0.00 0.03 -0.09 0.42 0.02 0.00 0.00 175.26 175.63 1f2t s ILE 97 N -2.13 0.95 -0.02 -1.63 1.01 0.13 -4.99 121.20 114.52 1f2t s ILE 97 Ca -0.03 -0.34 0.01 0.00 0.00 0.00 0.00 60.65 60.30 1f2t s ILE 97 Cb -0.05 -0.92 0.01 0.00 0.01 0.00 0.00 42.46 41.51 1f2t s ILE 97 CO -0.01 0.33 -0.04 -1.00 0.00 0.00 0.00 174.94 174.21 1f2t s HIS 98 N 1.01 0.49 -0.02 3.97 3.76 -1.26 -0.53 115.29 122.70 1f2t s HIS 98 Ca -0.09 -0.09 -0.02 0.00 -0.15 0.00 0.00 55.06 54.71 1f2t s HIS 98 Cb -0.15 -0.40 0.01 0.00 1.11 0.00 0.00 32.58 33.15 1f2t s HIS 98 CO -0.00 -0.07 0.06 0.00 -0.85 0.00 0.00 174.74 173.88 1f2t s ALA 99 N 0.36 -0.16 -0.08 -1.40 0.00 -0.66 -3.33 121.76 116.49 1f2t s ALA 99 Ca -0.04 0.18 0.01 0.00 0.00 0.00 0.00 51.96 52.11 1f2t s ALA 99 Cb -0.07 -0.11 0.02 0.00 0.00 0.00 0.00 23.12 22.96 1f2t s ALA 99 CO -0.00 -0.03 -0.09 1.41 0.00 0.00 0.00 175.76 177.05 1f2t s MET 100 N 0.04 1.47 0.20 0.00 1.75 -1.26 -1.16 119.30 120.35 1f2t s MET 100 Ca -0.00 -0.29 0.06 0.00 -1.25 0.00 0.00 55.69 54.21 1f2t s MET 100 Cb -0.01 -1.39 -0.05 0.00 2.84 0.00 0.00 34.83 36.22 1f2t s MET 100 CO 0.00 -0.12 -0.09 0.15 -0.65 0.00 0.00 175.02 174.30 1f2t s LYS 101 N 1.19 1.28 0.03 4.11 1.02 0.41 -1.30 119.74 126.49 1f2t s LYS 101 Ca -0.05 -1.59 0.07 0.00 0.02 0.00 0.00 55.97 54.41 1f2t s LYS 101 Cb -0.14 -0.88 -0.02 0.00 -0.52 0.00 0.00 37.83 36.27 1f2t s LYS 101 CO -0.02 0.08 -0.19 -0.98 -0.92 0.00 0.00 175.35 173.32 1f2t s ARG 102 N -3.73 1.32 -0.33 1.68 1.70 0.34 -0.78 118.95 119.15 1f2t s ARG 102 Ca 0.23 -0.85 -0.29 0.00 -0.47 0.00 0.00 55.73 54.35 1f2t s ARG 102 Cb 0.02 -1.39 0.01 0.00 -0.57 0.00 0.00 34.95 33.03 1f2t s ARG 102 CO 0.06 0.36 1.21 -1.17 -1.08 0.00 0.00 175.30 174.68 1f2t s LEU 103 N -1.02 3.86 -0.24 -1.89 2.96 -0.34 -0.51 118.68 121.50 1f2t s LEU 103 Ca 0.06 1.05 0.02 0.00 -0.22 0.00 0.00 54.13 55.05 1f2t s LEU 103 Cb -0.08 -3.54 0.05 0.00 0.50 0.00 0.00 46.19 43.12 1f2t s LEU 103 CO 0.01 -1.04 -0.12 -0.69 -1.32 0.00 0.00 176.35 173.18 1f2t s VAL 104 N 4.17 2.09 0.00 1.68 1.01 0.21 -4.73 120.40 124.83 1f2t s VAL 104 Ca 0.52 -1.45 0.00 0.00 0.00 0.00 0.00 61.98 61.05 1f2t s VAL 104 Cb -0.14 -2.15 0.00 0.00 0.00 0.00 0.00 36.38 34.09 1f2t s VAL 104 CO 0.22 0.09 0.00 0.61 0.00 0.00 0.00 175.10 176.02 1f2t n GLY 105 N 4.49 2.78 0.84 4.51 0.00 -1.26 -1.70 105.19 114.85 1f2t n GLY 105 Ca -0.15 -0.24 0.09 0.00 0.00 0.00 0.00 46.02 45.71 1f2t n GLY 105 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1f2t n ASN 106 N 7.13 2.89 -4.59 1.61 6.94 -1.26 -4.98 115.26 123.00 1f2t n ASN 106 Ca 0.00 -1.85 -0.33 0.00 -0.02 0.00 0.00 54.58 52.38 1f2t n ASN 106 Cb 0.00 -0.14 -0.11 0.00 -2.36 0.00 0.00 39.78 37.17 1f2t n ASN 106 CO 0.00 0.00 0.00 -1.61 -1.03 0.00 0.00 177.26 174.62 1f2t s GLU 107 N -1.31 2.65 -0.08 -3.83 2.02 -0.69 -5.10 118.70 112.36 1f2t s GLU 107 Ca 0.27 -0.64 -0.25 0.00 0.02 0.00 0.00 54.97 54.37 1f2t s GLU 107 Cb 0.17 -2.55 -0.03 0.00 0.10 0.00 0.00 34.13 31.82 1f2t s GLU 107 CO 0.24 0.63 0.80 -1.58 0.02 0.00 0.00 175.26 175.37 1f2t s TRP 108 N -0.91 3.55 -0.01 1.61 0.52 -1.26 -0.62 118.94 121.81 1f2t s TRP 108 Ca 0.15 1.35 0.05 0.00 0.02 0.00 0.00 56.10 57.67 1f2t s TRP 108 Cb -0.11 -2.94 -0.01 0.00 -1.15 0.00 0.00 33.47 29.26 1f2t s TRP 108 CO 0.05 -0.03 -0.16 0.15 0.02 0.00 0.00 176.95 176.97 1f2t s LYS 109 N 1.25 1.34 0.18 4.98 1.02 0.33 -4.90 119.74 123.94 1f2t s LYS 109 Ca 0.41 -0.59 -0.33 0.00 0.02 0.00 0.00 55.97 55.48 1f2t s LYS 109 Cb -0.18 -1.29 -0.14 0.00 -0.52 0.00 0.00 37.83 35.70 1f2t s LYS 109 CO 0.19 0.35 1.53 0.72 -0.92 0.00 0.00 175.35 177.22 1f2t n HIS 110 N 2.68 2.25 0.09 3.18 8.25 -1.26 -0.51 115.22 129.90 1f2t n HIS 110 Ca -0.15 0.32 0.09 0.00 -0.26 0.00 0.00 57.72 57.72 1f2t n HIS 110 Cb 0.54 -2.52 -0.02 0.00 1.12 0.00 0.00 29.99 29.11 1f2t n HIS 110 CO 0.00 0.00 0.00 1.33 0.64 0.00 0.00 176.34 178.31 1f2t n VAL 111 N 2.97 0.72 -3.77 1.59 0.24 -0.42 -4.84 118.33 114.83 1f2t n VAL 111 Ca 0.15 -0.58 -0.09 0.00 -2.04 0.00 0.00 64.34 61.79 1f2t n VAL 111 Cb 0.29 -0.41 0.02 0.00 -1.47 0.00 0.00 33.84 32.27 1f2t n VAL 111 CO 0.00 0.00 0.00 1.07 -2.14 0.00 0.00 176.83 175.76 1f2t n THR 112 N -2.71 0.00 -1.71 3.34 5.66 -1.26 -5.11 114.28 112.49 1f2t n THR 112 Ca -0.02 -0.99 -0.43 0.00 -3.05 0.00 0.00 64.05 59.55 1f2t n THR 112 Cb 0.61 0.94 -0.02 0.00 -1.55 0.00 0.00 70.33 70.31 1f2t n THR 112 CO 0.00 0.00 0.00 1.21 -3.05 0.00 0.00 175.07 173.23 1f2t n GLU 113 N -0.51 2.37 -2.41 1.09 2.13 -1.26 -4.79 120.64 117.26 1f2t n GLU 113 Ca -0.08 0.84 -0.38 0.00 0.66 0.00 0.00 57.16 58.21 1f2t n GLU 113 Cb 0.56 -2.56 -0.02 0.00 0.27 0.00 0.00 31.44 29.68 1f2t n GLU 113 CO 0.00 0.00 0.00 -1.25 -0.41 0.00 0.00 177.13 175.47 1f2t s PRO 114 N -0.42 3.48 0.04 5.31 0.04 -1.26 -4.36 135.00 137.82 1f2t s PRO 114 Ca 0.66 -1.71 -0.08 0.00 0.04 0.00 0.00 61.00 59.92 1f2t s PRO 114 Cb -0.57 -5.44 -0.00 0.00 0.04 0.00 0.00 34.50 28.53 1f2t s PRO 114 CO 0.49 -2.85 0.15 -1.54 0.04 0.00 0.00 177.00 173.29 1f2t s SER 115 N 5.00 0.09 0.20 6.66 1.04 -1.21 -4.50 113.70 120.99 1f2t s SER 115 Ca 0.59 -0.43 -0.11 0.00 0.48 0.00 0.00 55.95 56.48 1f2t s SER 115 Cb 0.02 0.26 0.14 0.00 0.10 0.00 0.00 66.02 66.54 1f2t s SER 115 CO 0.10 -0.53 1.87 -1.28 0.98 0.00 0.00 173.24 174.37 1f2t h SER 116 N 3.57 0.80 -0.04 7.02 0.87 -1.88 -2.13 113.55 121.75 1f2t h SER 116 Ca -0.32 -0.02 -0.00 0.00 -1.23 0.00 0.00 61.79 60.22 1f2t h SER 116 Cb 1.19 -0.20 -0.00 0.00 -0.44 0.00 0.00 62.40 62.95 1f2t h SER 116 CO 0.49 0.58 0.02 0.50 -0.53 0.00 0.00 176.83 177.88 1f2t h LYS 117 N 0.94 0.06 -0.48 2.24 1.63 -1.94 -1.23 116.57 117.79 1f2t h LYS 117 Ca 0.26 -0.01 -0.05 0.00 -0.85 0.00 0.00 60.65 60.00 1f2t h LYS 117 Cb -0.10 -0.01 -0.02 0.00 -0.60 0.00 0.00 32.23 31.50 1f2t h LYS 117 CO -0.06 0.16 0.11 0.00 -3.45 0.00 0.00 179.45 176.21 1f2t h ALA 118 N 0.89 0.64 -0.56 5.00 0.00 -1.81 -1.88 119.26 121.54 1f2t h ALA 118 Ca 0.01 -0.21 -0.11 0.00 0.00 0.00 0.00 54.91 54.60 1f2t h ALA 118 Cb 0.13 -0.18 -0.02 0.00 0.00 0.00 0.00 17.79 17.71 1f2t h ALA 118 CO -0.00 0.34 -0.06 0.82 0.00 0.00 0.00 179.25 180.34 1f2t h ILE 119 N 0.66 1.27 -0.74 0.00 2.04 -1.38 -1.44 117.51 117.92 1f2t h ILE 119 Ca 0.15 -1.21 -0.06 0.00 1.00 0.00 0.00 64.86 64.74 1f2t h ILE 119 Cb 0.34 0.90 -0.03 0.00 -0.74 0.00 0.00 36.82 37.29 1f2t h ILE 119 CO 0.00 0.43 0.23 -1.28 0.00 0.00 0.00 178.15 177.53 1f2t h SER 120 N 0.93 1.08 -0.68 1.72 0.87 -1.10 -0.36 113.55 116.00 1f2t h SER 120 Ca 0.15 -0.21 -0.05 0.00 -1.23 0.00 0.00 61.79 60.45 1f2t h SER 120 Cb 0.62 -0.28 -0.03 0.00 -0.44 0.00 0.00 62.40 62.27 1f2t h SER 120 CO 0.04 1.01 0.22 0.00 -0.53 0.00 0.00 176.83 177.57 1f2t h ALA 121 N 1.12 0.89 -0.22 6.23 0.00 -1.06 -1.87 119.26 124.35 1f2t h ALA 121 Ca 0.24 -0.21 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 1f2t h ALA 121 Cb 0.31 -0.26 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1f2t h ALA 121 CO -0.01 0.57 0.05 0.35 0.00 0.00 0.00 179.25 180.21 1f2t h PHE 122 N 1.00 0.38 -0.61 0.00 3.57 -0.86 -2.94 116.94 117.49 1f2t h PHE 122 Ca 0.22 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.65 1f2t h PHE 122 Cb 0.29 -0.11 -0.03 0.00 2.79 0.00 0.00 35.95 38.89 1f2t h PHE 122 CO 0.02 0.48 0.30 0.52 -2.23 0.00 0.00 178.31 177.40 1f2t h MET 123 N 0.18 0.85 0.00 1.11 2.86 -0.93 0.32 114.93 119.32 1f2t h MET 123 Ca 0.07 -0.10 -0.01 0.00 -2.06 0.00 0.00 59.70 57.59 1f2t h MET 123 Cb 0.29 -0.17 -0.00 0.00 0.06 0.00 0.00 31.60 31.78 1f2t h MET 123 CO 0.00 0.65 -0.07 0.93 1.06 0.00 0.00 176.91 179.49 1f2t h GLU 124 N 0.85 0.00 0.11 1.72 4.39 -1.16 -0.91 114.58 119.57 1f2t h GLU 124 Ca 0.21 0.00 -0.30 0.00 0.34 0.00 0.00 59.36 59.61 1f2t h GLU 124 Cb 0.07 0.00 -0.01 0.00 -0.10 0.00 0.00 28.75 28.71 1f2t h GLU 124 CO -0.03 0.07 -1.58 0.87 -1.16 0.00 0.00 179.01 177.18 1f2t h LYS 125 N 0.00 0.23 0.22 2.33 1.57 -1.14 -3.28 116.57 116.49 1f2t h LYS 125 Ca -0.00 -0.39 -0.01 0.00 -1.87 0.00 0.00 60.65 58.38 1f2t h LYS 125 Cb 0.20 0.14 0.00 0.00 0.08 0.00 0.00 32.23 32.66 1f2t h LYS 125 CO 0.01 1.19 -0.10 1.25 -0.57 0.00 0.00 179.45 181.22 1f2t h LEU 126 N -0.27 -0.25 -6.26 2.94 5.85 -0.49 -3.41 115.31 113.42 1f2t h LEU 126 Ca -0.35 -0.20 -0.26 0.00 0.84 0.00 0.00 57.88 57.92 1f2t h LEU 126 Cb 1.80 0.06 -0.28 0.00 0.37 0.00 0.00 40.66 42.61 1f2t h LEU 126 CO 0.04 0.08 -0.60 -0.51 -0.34 0.00 0.00 178.44 177.11 1f2t s ILE 127 N -4.90 -0.55 0.51 4.05 1.10 -0.39 -5.09 121.20 115.92 1f2t s ILE 127 Ca -0.15 -0.60 -0.23 0.00 -0.51 0.00 0.00 60.65 59.16 1f2t s ILE 127 Cb 0.03 -0.60 -0.07 0.00 0.15 0.00 0.00 42.46 41.97 1f2t s ILE 127 CO 0.59 -0.38 1.26 -0.81 -2.11 0.00 0.00 174.94 173.49 1f2t n PRO 128 N 4.55 1.65 -0.31 3.50 -0.04 -1.22 -4.62 135.00 138.51 1f2t n PRO 128 Ca 0.09 0.60 0.14 0.00 -0.04 0.00 0.00 63.50 64.28 1f2t n PRO 128 Cb 0.49 -2.43 0.32 0.00 -0.04 0.00 0.00 33.50 31.83 1f2t n PRO 128 CO 0.00 0.00 0.00 -0.92 -0.04 0.00 0.00 175.50 174.54 1f2t h TYR 129 N 1.53 0.70 -0.25 0.54 3.20 -1.86 0.18 116.97 121.01 1f2t h TYR 129 Ca -0.49 0.04 -0.09 0.00 3.14 0.00 0.00 58.73 61.33 1f2t h TYR 129 Cb 1.31 -0.17 -0.01 0.00 1.54 0.00 0.00 36.73 39.40 1f2t h TYR 129 CO 0.45 -0.03 -0.24 -2.95 -1.64 0.00 0.00 178.16 173.75 1f2t h ASN 130 N 0.42 0.46 -0.28 -2.11 -1.07 -1.98 -0.98 115.58 110.04 1f2t h ASN 130 Ca 0.57 -0.15 -0.13 0.00 0.07 0.00 0.00 56.30 56.66 1f2t h ASN 130 Cb 1.09 -0.13 -0.01 0.00 -2.07 0.00 0.00 38.32 37.20 1f2t h ASN 130 CO -0.52 0.70 -0.28 0.40 0.07 0.00 0.00 177.43 177.80 1f2t h ILE 131 N 0.41 1.28 -0.22 6.14 1.08 -1.36 -0.09 117.51 124.74 1f2t h ILE 131 Ca 0.06 -1.42 -0.01 0.00 -0.39 0.00 0.00 64.86 63.10 1f2t h ILE 131 Cb 0.64 1.29 -0.01 0.00 -3.07 0.00 0.00 36.82 35.67 1f2t h ILE 131 CO 0.05 0.47 0.10 0.15 -0.69 0.00 0.00 178.15 178.22 1f2t h PHE 132 N 0.67 0.33 0.00 1.37 3.57 -0.67 -0.31 116.94 121.91 1f2t h PHE 132 Ca 0.08 -0.02 -0.15 0.00 3.53 0.00 0.00 57.97 61.41 1f2t h PHE 132 Cb 0.81 -0.10 -0.02 0.00 2.79 0.00 0.00 35.95 39.43 1f2t h PHE 132 CO 0.04 0.35 -0.70 -0.07 -2.23 0.00 0.00 178.31 175.70 1f2t h LEU 133 N 0.22 0.00 0.00 0.59 3.38 -1.16 0.24 115.31 118.58 1f2t h LEU 133 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1f2t h LEU 133 Cb 0.15 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.90 1f2t h LEU 133 CO -0.01 0.70 -1.36 0.59 0.09 0.00 0.00 178.44 178.46 1f2t n ASN 134 N -3.44 0.48 0.00 -0.43 3.02 -0.05 -4.46 115.26 110.38 1f2t n ASN 134 Ca 0.00 -0.11 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 1f2t n ASN 134 Cb 0.76 1.17 0.00 0.00 -0.61 0.00 0.00 39.78 41.10 1f2t n ASN 134 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1f2t n ALA 135 N -2.01 1.55 -0.07 5.41 0.00 -0.14 -4.93 120.51 120.31 1f2t n ALA 135 Ca -0.00 0.00 -0.15 0.00 0.00 0.00 0.00 53.44 53.29 1f2t n ALA 135 Cb 0.49 0.07 -0.05 0.00 0.00 0.00 0.00 19.45 19.97 1f2t n ALA 135 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1f2t n ILE 136 N -1.28 0.76 -3.68 0.00 5.41 -0.69 -4.98 119.36 114.89 1f2t n ILE 136 Ca 0.00 -0.20 -0.39 0.00 1.00 0.00 0.00 62.75 63.17 1f2t n ILE 136 Cb 0.14 -1.65 -0.12 0.00 -0.71 0.00 0.00 39.64 37.31 1f2t n ILE 136 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 176.55 176.08 1f2t s TYR 137 N -2.25 3.19 -0.65 1.39 5.04 0.78 -5.03 117.35 119.81 1f2t s TYR 137 Ca -0.19 -0.84 -0.20 0.00 -2.44 0.00 0.00 57.07 53.40 1f2t s TYR 137 Cb 0.07 -2.34 0.10 0.00 0.35 0.00 0.00 41.96 40.14 1f2t s TYR 137 CO 0.25 -0.55 0.84 0.42 -1.34 0.00 0.00 175.55 175.16 1f2t s ILE 138 N 1.55 4.65 0.79 3.14 1.01 -1.26 -4.61 121.20 126.46 1f2t s ILE 138 Ca 0.03 -0.85 -0.10 0.00 0.00 0.00 0.00 60.65 59.72 1f2t s ILE 138 Cb -0.18 -4.59 0.06 0.00 0.01 0.00 0.00 42.46 37.77 1f2t s ILE 138 CO 0.05 -1.28 1.10 -0.13 0.00 0.00 0.00 174.94 174.67 1f2t s ARG 139 N 3.13 2.14 0.26 2.79 0.52 -1.26 -4.92 118.95 121.62 1f2t s ARG 139 Ca 0.17 1.20 -0.30 0.00 -0.52 0.00 0.00 55.73 56.28 1f2t s ARG 139 Cb -0.19 -1.88 -0.13 0.00 0.52 0.00 0.00 34.95 33.26 1f2t s ARG 139 CO 0.06 -1.73 1.40 0.94 0.02 0.00 0.00 175.30 175.98 1f2t n GLN 140 N -3.59 2.11 -0.15 3.54 0.00 -1.26 -1.83 117.38 116.20 1f2t n GLN 140 Ca 0.09 0.75 0.00 0.00 -0.00 0.00 0.00 57.00 57.84 1f2t n GLN 140 Cb 0.53 -2.40 0.00 0.00 0.00 0.00 0.00 30.24 28.37 1f2t n GLN 140 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 1f2t n GLY 141 N 1.89 1.93 0.16 1.69 0.00 -1.26 -4.90 105.19 104.70 1f2t n GLY 141 Ca 0.10 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 46.10 1f2t n GLY 141 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1f2t h GLN 142 N 2.74 0.09 -0.56 1.61 1.08 -1.72 -1.17 115.11 117.18 1f2t h GLN 142 Ca 0.00 -0.06 -0.10 0.00 -1.45 0.00 0.00 58.65 57.04 1f2t h GLN 142 Cb 0.00 0.01 -0.02 0.00 -0.05 0.00 0.00 27.48 27.42 1f2t h GLN 142 CO 0.00 0.64 -0.05 0.82 -0.95 0.00 0.00 178.83 179.28 1f2t h ILE 143 N 0.07 1.27 -0.20 2.54 2.04 -1.91 -2.21 117.51 119.11 1f2t h ILE 143 Ca -0.00 -1.20 -0.02 0.00 1.00 0.00 0.00 64.86 64.63 1f2t h ILE 143 Cb 1.03 0.91 -0.01 0.00 -0.74 0.00 0.00 36.82 38.01 1f2t h ILE 143 CO 0.08 0.43 0.04 0.44 0.00 0.00 0.00 178.15 179.14 1f2t h ASP 144 N 0.91 0.32 -1.01 1.72 3.32 -1.90 -2.73 116.42 117.05 1f2t h ASP 144 Ca 0.15 -0.24 0.10 0.00 0.02 0.00 0.00 57.03 57.06 1f2t h ASP 144 Cb 0.62 -0.08 -0.08 0.00 0.22 0.00 0.00 39.33 40.00 1f2t h ASP 144 CO 0.04 0.48 0.64 0.00 -1.72 0.00 0.00 179.24 178.67 1f2t h ALA 145 N 0.85 1.48 -0.20 3.45 0.00 -1.09 -1.72 119.26 122.04 1f2t h ALA 145 Ca 0.06 0.01 -0.04 0.00 0.00 0.00 0.00 54.91 54.94 1f2t h ALA 145 Cb 0.29 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 17.83 1f2t h ALA 145 CO 0.00 0.29 -0.08 0.82 0.00 0.00 0.00 179.25 180.29 1f2t h ILE 146 N 1.05 1.17 -0.07 0.00 2.04 -1.09 -2.60 117.51 118.02 1f2t h ILE 146 Ca 0.48 -0.72 0.00 0.00 1.00 0.00 0.00 64.86 65.62 1f2t h ILE 146 Cb 0.39 1.11 0.00 0.00 -0.74 0.00 0.00 36.82 37.58 1f2t h ILE 146 CO -0.24 0.23 0.00 0.18 0.00 0.00 0.00 178.15 178.32 1f2t n LEU 147 N -4.30 1.15 -4.66 1.44 4.77 -0.66 -4.91 117.00 109.83 1f2t n LEU 147 Ca -0.00 -0.43 -0.47 0.00 -0.03 0.00 0.00 56.01 55.08 1f2t n LEU 147 Cb 0.24 -0.04 -0.04 0.00 -2.33 0.00 0.00 43.42 41.25 1f2t n LEU 147 CO 0.38 0.22 1.18 1.21 -1.33 0.00 0.00 177.39 179.04 1f2t n GLU 148 N -0.07 2.03 0.00 3.23 2.13 -0.98 -5.10 120.64 121.88 1f2t n GLU 148 Ca 0.18 0.73 0.00 0.00 0.66 0.00 0.00 57.16 58.73 1f2t n GLU 148 Cb 0.27 -2.49 0.00 0.00 0.27 0.00 0.00 31.44 29.49 1f2t n GLU 148 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15