#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1o1u n PHE 2 N 0.00 -2.23 -3.46 0.00 3.72 -1.26 -4.33 117.46 109.90 1o1u n PHE 2 Ca 0.00 0.80 -0.01 0.00 -0.05 0.00 0.00 57.45 58.19 1o1u n PHE 2 Cb 0.00 -3.25 -0.04 0.00 -0.94 0.00 0.00 39.48 35.25 1o1u n PHE 2 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 176.76 177.70 1o1u s THR 3 N -3.11 -0.92 0.00 4.37 2.01 -1.26 -1.16 115.64 115.57 1o1u s THR 3 Ca 0.11 0.02 0.00 0.00 0.31 0.00 0.00 61.69 62.13 1o1u s THR 3 Cb -0.05 -0.94 0.00 0.00 0.01 0.00 0.00 72.50 71.52 1o1u s THR 3 CO 0.86 -0.00 0.00 0.61 -0.69 0.00 0.00 174.62 175.40 1o1u n GLY 4 N 5.43 0.90 3.89 4.40 0.00 -0.72 -4.94 105.19 114.14 1o1u n GLY 4 Ca -0.07 -1.34 -0.35 0.00 0.00 0.00 0.00 46.02 44.26 1o1u n GLY 4 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 5 N -1.90 3.52 0.24 1.61 2.20 -1.26 -0.77 119.74 123.38 1o1u s LYS 5 Ca 0.00 -0.14 0.01 0.00 -0.36 0.00 0.00 55.97 55.47 1o1u s LYS 5 Cb 0.00 -3.11 -0.04 0.00 -1.51 0.00 0.00 37.83 33.17 1o1u s LYS 5 CO 0.00 0.68 0.13 -0.06 -0.36 0.00 0.00 175.35 175.74 1o1u s PHE 6 N -1.25 1.36 0.02 4.03 0.40 0.10 -3.15 117.98 119.48 1o1u s PHE 6 Ca 0.25 -1.34 -0.12 0.00 -0.60 0.00 0.00 56.93 55.12 1o1u s PHE 6 Cb -0.13 -0.70 0.01 0.00 0.51 0.00 0.00 43.02 42.71 1o1u s PHE 6 CO 0.15 -0.55 0.26 -1.83 0.70 0.00 0.00 175.22 173.94 1o1u s GLU 7 N -4.04 0.69 0.59 0.44 4.04 -0.74 -1.23 118.70 118.45 1o1u s GLU 7 Ca 0.38 -0.40 -0.10 0.00 0.04 0.00 0.00 54.97 54.89 1o1u s GLU 7 Cb 0.07 0.30 -0.04 0.00 0.02 0.00 0.00 34.13 34.48 1o1u s GLU 7 CO 0.14 -0.20 0.98 -1.64 -1.84 0.00 0.00 175.26 172.70 1o1u s MET 8 N -1.94 3.55 0.00 -4.83 -1.94 -0.09 -2.07 119.30 111.97 1o1u s MET 8 Ca -0.10 0.61 0.00 0.00 -1.71 0.00 0.00 55.69 54.49 1o1u s MET 8 Cb -0.03 -2.14 0.00 0.00 2.01 0.00 0.00 34.83 34.66 1o1u s MET 8 CO 0.00 -0.51 0.00 -0.85 -0.01 0.00 0.00 175.02 173.65 1o1u n GLU 9 N -2.65 0.00 -4.35 2.03 -0.00 -1.26 -4.52 120.64 109.89 1o1u n GLU 9 Ca 0.05 0.00 -0.27 0.00 -0.00 0.00 0.00 57.16 56.94 1o1u n GLU 9 Cb 0.54 0.00 -0.10 0.00 -0.00 0.00 0.00 31.44 31.88 1o1u n GLU 9 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.13 175.59 1o1u s SER 10 N -1.44 3.91 -0.12 -1.84 1.04 -1.26 -5.03 113.70 108.95 1o1u s SER 10 Ca 0.00 -0.71 -0.30 0.00 0.48 0.00 0.00 55.95 55.41 1o1u s SER 10 Cb 0.00 -0.52 0.12 0.00 0.10 0.00 0.00 66.02 65.72 1o1u s SER 10 CO 0.00 0.10 1.00 -0.70 0.98 0.00 0.00 173.24 174.63 1o1u s GLU 11 N -2.82 0.61 0.09 4.02 2.12 -1.26 -3.05 118.70 118.41 1o1u s GLU 11 Ca 0.24 -0.03 -0.27 0.00 0.36 0.00 0.00 54.97 55.27 1o1u s GLU 11 Cb -0.08 0.28 0.08 0.00 0.26 0.00 0.00 34.13 34.67 1o1u s GLU 11 CO 0.13 -0.23 0.97 -1.59 -0.54 0.00 0.00 175.26 174.00 1o1u s LYS 12 N -1.89 1.02 -1.15 4.30 -2.85 -1.08 -4.99 119.74 113.10 1o1u s LYS 12 Ca 0.02 -0.52 -0.06 0.00 -1.00 0.00 0.00 55.97 54.41 1o1u s LYS 12 Cb -0.01 0.38 0.01 0.00 -2.06 0.00 0.00 37.83 36.15 1o1u s LYS 12 CO -0.03 -0.46 0.99 0.09 0.10 0.00 0.00 175.35 176.04 1o1u n ASN 13 N -0.40 -4.74 0.00 0.03 3.02 -1.26 -2.80 115.26 109.11 1o1u n ASN 13 Ca -0.07 -0.49 -0.03 0.00 -0.03 0.00 0.00 54.58 53.96 1o1u n ASN 13 Cb 0.61 -4.50 -0.01 0.00 -0.61 0.00 0.00 39.78 35.27 1o1u n ASN 13 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o1u n TYR 14 N -4.43 0.00 -0.20 3.10 9.36 -1.26 -3.81 117.16 119.92 1o1u n TYR 14 Ca -0.07 0.00 -0.00 0.00 3.32 0.00 0.00 57.90 61.15 1o1u n TYR 14 Cb 0.58 -0.14 0.07 0.00 -0.63 0.00 0.00 39.34 39.22 1o1u n TYR 14 CO 0.00 0.00 0.00 -0.44 0.22 0.00 0.00 176.86 176.64 1o1u h ASP 15 N -0.28 -0.47 0.47 2.98 5.19 -1.96 0.46 116.42 122.81 1o1u h ASP 15 Ca 0.00 0.17 -0.02 0.00 -0.62 0.00 0.00 57.03 56.56 1o1u h ASP 15 Cb 0.28 0.34 0.00 0.00 0.18 0.00 0.00 39.33 40.13 1o1u h ASP 15 CO 0.00 -0.17 -0.23 -0.33 -3.12 0.00 0.00 179.24 175.39 1o1u h GLU 16 N 0.03 -0.61 -1.11 3.56 5.08 -1.96 0.30 114.58 119.87 1o1u h GLU 16 Ca 0.30 0.04 0.31 0.00 -1.00 0.00 0.00 59.36 59.01 1o1u h GLU 16 Cb 0.47 0.14 -0.10 0.00 0.50 0.00 0.00 28.75 29.76 1o1u h GLU 16 CO -0.59 -0.38 0.72 0.35 -1.00 0.00 0.00 179.01 178.11 1o1u h PHE 17 N -0.68 0.59 0.00 4.33 3.57 -1.21 0.61 116.94 124.15 1o1u h PHE 17 Ca -0.06 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.34 1o1u h PHE 17 Cb 0.51 -0.16 -0.02 0.00 2.79 0.00 0.00 35.95 39.06 1o1u h PHE 17 CO -0.03 -0.01 -1.08 0.52 -2.23 0.00 0.00 178.31 175.48 1o1u h MET 18 N 0.30 0.00 -0.49 1.11 2.86 -0.40 0.67 114.93 118.97 1o1u h MET 18 Ca 0.65 0.00 -0.10 0.00 -2.06 0.00 0.00 59.70 58.18 1o1u h MET 18 Cb 1.80 0.00 -0.02 0.00 0.06 0.00 0.00 31.60 33.44 1o1u h MET 18 CO -0.31 0.29 -0.11 1.57 1.06 0.00 0.00 176.91 179.41 1o1u h LYS 19 N 0.00 0.91 0.10 1.72 2.10 0.18 0.16 116.57 121.73 1o1u h LYS 19 Ca -0.09 -0.32 -0.00 0.00 -2.00 0.00 0.00 60.65 58.23 1o1u h LYS 19 Cb 1.43 -0.07 0.00 0.00 -0.90 0.00 0.00 32.23 32.69 1o1u h LYS 19 CO 0.04 0.97 -0.05 -0.07 -2.00 0.00 0.00 179.45 178.35 1o1u h LEU 20 N 0.82 -0.11 -0.33 7.07 -0.00 -1.18 -3.31 115.31 118.27 1o1u h LEU 20 Ca 0.13 -0.33 0.03 0.00 -0.00 0.00 0.00 57.88 57.71 1o1u h LEU 20 Cb 0.64 0.03 -0.03 0.00 -0.00 0.00 0.00 40.66 41.29 1o1u h LEU 20 CO 0.04 0.28 0.15 0.25 -0.00 0.00 0.00 178.44 179.17 1o1u h LEU 21 N -0.52 0.21 0.00 1.67 5.85 -0.68 -3.47 115.31 118.36 1o1u h LEU 21 Ca -0.01 0.02 0.00 0.00 0.84 0.00 0.00 57.88 58.73 1o1u h LEU 21 Cb 0.43 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 41.45 1o1u h LEU 21 CO 0.02 0.16 0.00 0.61 -0.34 0.00 0.00 178.44 178.89 1o1u n GLY 22 N -1.20 0.66 3.33 3.75 0.00 0.53 -5.01 105.19 107.25 1o1u n GLY 22 Ca 0.00 -0.73 -0.20 0.00 0.00 0.00 0.00 46.02 45.10 1o1u n GLY 22 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1o1u s ILE 23 N -0.67 1.71 0.61 -0.61 -1.09 -1.04 -4.76 121.20 115.34 1o1u s ILE 23 Ca 0.00 -2.03 -0.16 0.00 -2.23 0.00 0.00 60.65 56.22 1o1u s ILE 23 Cb 0.00 -1.90 -0.03 0.00 -1.58 0.00 0.00 42.46 38.96 1o1u s ILE 23 CO 0.00 -0.47 1.09 -0.55 -1.23 0.00 0.00 174.94 173.78 1o1u s SER 24 N -2.96 5.52 0.45 3.58 0.15 -1.26 -4.86 113.70 114.33 1o1u s SER 24 Ca 0.18 1.95 0.14 0.00 0.70 0.00 0.00 55.95 58.92 1o1u s SER 24 Cb -0.03 -2.55 1.02 0.00 -1.71 0.00 0.00 66.02 62.75 1o1u s SER 24 CO 0.06 -1.35 2.01 0.28 1.20 0.00 0.00 173.24 175.45 1o1u h SER 25 N 0.43 0.03 0.15 5.45 0.02 -2.00 0.09 113.55 117.73 1o1u h SER 25 Ca -0.47 -0.00 -0.21 0.00 -0.84 0.00 0.00 61.79 60.26 1o1u h SER 25 Cb 1.24 -0.01 0.02 0.00 0.14 0.00 0.00 62.40 63.79 1o1u h SER 25 CO 0.56 0.17 -0.94 -2.24 -1.14 0.00 0.00 176.83 173.24 1o1u h ASP 26 N 0.03 0.49 -1.00 3.07 2.03 -1.99 -1.97 116.42 117.08 1o1u h ASP 26 Ca 0.01 -0.94 0.04 0.00 -0.73 0.00 0.00 57.03 55.41 1o1u h ASP 26 Cb 0.27 -0.16 -0.06 0.00 -0.83 0.00 0.00 39.33 38.55 1o1u h ASP 26 CO 0.02 1.45 0.66 0.58 -1.03 0.00 0.00 179.24 180.91 1o1u h VAL 27 N -0.32 1.16 0.37 4.15 2.07 -1.91 0.10 116.25 121.86 1o1u h VAL 27 Ca -0.17 -0.43 -0.02 0.00 0.82 0.00 0.00 66.70 66.90 1o1u h VAL 27 Cb 1.70 -0.21 0.00 0.00 -1.52 0.00 0.00 31.29 31.27 1o1u h VAL 27 CO 0.15 0.23 -0.20 0.40 0.02 0.00 0.00 177.57 178.17 1o1u h ILE 28 N 1.26 0.00 -0.02 4.57 2.04 -0.93 -2.28 117.51 122.16 1o1u h ILE 28 Ca 0.40 0.00 0.01 0.00 1.00 0.00 0.00 64.86 66.27 1o1u h ILE 28 Cb 0.02 0.00 -0.00 0.00 -0.74 0.00 0.00 36.82 36.10 1o1u h ILE 28 CO -0.13 0.00 0.06 -0.33 0.00 0.00 0.00 178.15 177.75 1o1u h GLU 29 N -0.53 0.00 0.41 2.37 4.39 -1.02 0.10 114.58 120.31 1o1u h GLU 29 Ca -0.05 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 59.63 1o1u h GLU 29 Cb 0.41 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.07 1o1u h GLU 29 CO 0.07 0.00 -0.20 0.87 -1.16 0.00 0.00 179.01 178.59 1o1u h LYS 30 N 0.00 -0.53 0.00 2.33 1.57 -0.57 -3.05 116.57 116.32 1o1u h LYS 30 Ca 0.01 0.04 0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1o1u h LYS 30 Cb 0.13 0.12 0.00 0.00 0.08 0.00 0.00 32.23 32.56 1o1u h LYS 30 CO -0.00 -0.35 0.00 0.00 -0.57 0.00 0.00 179.45 178.53 1o1u n ALA 31 N -2.42 1.44 0.15 3.86 0.00 -0.62 -0.42 120.51 122.50 1o1u n ALA 31 Ca -0.07 -0.03 -0.14 0.00 0.00 0.00 0.00 53.44 53.20 1o1u n ALA 31 Cb 0.22 -1.13 -0.07 0.00 0.00 0.00 0.00 19.45 18.47 1o1u n ALA 31 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 177.50 177.41 1o1u h ARG 32 N 0.00 -0.35 -1.10 0.00 9.65 -0.73 -3.37 114.38 118.49 1o1u h ARG 32 Ca 0.00 0.02 -0.41 0.00 -1.10 0.00 0.00 59.98 58.49 1o1u h ARG 32 Cb 0.10 0.08 -0.40 0.00 -1.39 0.00 0.00 29.97 28.36 1o1u h ARG 32 CO 0.00 -0.23 -1.09 0.27 2.80 0.00 0.00 179.97 181.72 1o1u n ASN 33 N -5.26 2.23 -4.17 -3.80 6.94 0.02 -4.87 115.26 106.34 1o1u n ASN 33 Ca -0.09 -2.93 -0.33 0.00 -0.02 0.00 0.00 54.58 51.21 1o1u n ASN 33 Cb 0.18 -0.51 -0.16 0.00 -2.36 0.00 0.00 39.78 36.93 1o1u n ASN 33 CO 0.00 0.00 0.00 0.12 -1.03 0.00 0.00 177.26 176.35 1o1u s PHE 34 N -3.25 2.73 -1.15 -2.53 5.36 0.44 -5.00 117.98 114.59 1o1u s PHE 34 Ca 0.32 -1.38 -0.22 0.00 -0.96 0.00 0.00 56.93 54.70 1o1u s PHE 34 Cb 0.44 -1.87 -0.07 0.00 -0.34 0.00 0.00 43.02 41.18 1o1u s PHE 34 CO -0.02 -0.65 1.91 1.63 -1.46 0.00 0.00 175.22 176.64 1o1u n LYS 35 N 4.26 1.84 -2.03 10.12 4.01 -1.26 -4.81 118.16 130.28 1o1u n LYS 35 Ca -0.20 -2.50 -0.38 0.00 -0.51 0.00 0.00 58.31 54.72 1o1u n LYS 35 Cb 0.51 -3.57 0.01 0.00 -0.51 0.00 0.00 35.03 31.47 1o1u n LYS 35 CO 0.00 0.00 0.00 0.42 -1.11 0.00 0.00 177.40 176.71 1o1u s ILE 36 N 9.02 2.59 0.15 -0.18 1.01 -1.26 -4.68 121.20 127.84 1o1u s ILE 36 Ca 0.64 0.48 0.03 0.00 0.00 0.00 0.00 60.65 61.80 1o1u s ILE 36 Cb 0.03 -3.26 -0.04 0.00 0.01 0.00 0.00 42.46 39.20 1o1u s ILE 36 CO 0.12 0.03 0.27 -0.69 0.00 0.00 0.00 174.94 174.68 1o1u s VAL 37 N -1.35 5.29 0.03 2.92 1.01 -0.84 -0.92 120.40 126.54 1o1u s VAL 37 Ca 0.63 -0.70 -0.02 0.00 0.00 0.00 0.00 61.98 61.89 1o1u s VAL 37 Cb -0.36 -3.72 -0.02 0.00 0.00 0.00 0.00 36.38 32.28 1o1u s VAL 37 CO 0.45 -0.09 0.01 -0.89 0.00 0.00 0.00 175.10 174.58 1o1u s THR 38 N -1.74 0.14 0.08 3.92 2.01 -0.37 -0.55 115.64 119.14 1o1u s THR 38 Ca 0.34 -1.19 -0.16 0.00 0.31 0.00 0.00 61.69 60.99 1o1u s THR 38 Cb -0.11 -0.78 0.03 0.00 0.01 0.00 0.00 72.50 71.65 1o1u s THR 38 CO 0.28 -0.66 0.37 -1.83 -0.69 0.00 0.00 174.62 172.10 1o1u s GLU 39 N -2.44 0.96 0.03 4.92 -1.05 -0.62 0.02 118.70 120.52 1o1u s GLU 39 Ca -0.07 -0.59 -0.04 0.00 -0.15 0.00 0.00 54.97 54.12 1o1u s GLU 39 Cb -0.03 0.42 -0.01 0.00 -0.44 0.00 0.00 34.13 34.07 1o1u s GLU 39 CO -0.04 -0.35 0.07 0.08 0.95 0.00 0.00 175.26 175.96 1o1u s VAL 40 N -3.20 0.12 -0.22 1.83 1.01 0.05 -0.80 120.40 119.19 1o1u s VAL 40 Ca -0.01 -1.03 -0.04 0.00 0.00 0.00 0.00 61.98 60.91 1o1u s VAL 40 Cb 0.01 -0.71 0.10 0.00 0.00 0.00 0.00 36.38 35.77 1o1u s VAL 40 CO -0.08 -0.57 0.20 -1.58 0.00 0.00 0.00 175.10 173.08 1o1u s GLN 41 N -2.22 0.19 -1.06 2.72 0.74 -1.03 -1.76 119.66 117.24 1o1u s GLN 41 Ca -0.08 -0.00 -0.23 0.00 0.05 0.00 0.00 55.36 55.10 1o1u s GLN 41 Cb -0.04 -1.21 -0.00 0.00 1.10 0.00 0.00 33.01 32.86 1o1u s GLN 41 CO -0.03 -0.77 1.75 -1.14 -0.55 0.00 0.00 175.29 174.54 1o1u s GLN 42 N 2.27 3.13 -1.48 1.67 0.74 -0.31 -0.60 119.66 125.09 1o1u s GLN 42 Ca 0.07 -1.02 -0.14 0.00 0.05 0.00 0.00 55.36 54.33 1o1u s GLN 42 Cb -0.16 -5.28 0.03 0.00 1.10 0.00 0.00 33.01 28.71 1o1u s GLN 42 CO -0.19 -2.91 2.31 -3.47 -0.55 0.00 0.00 175.29 170.49 1o1u n ASP 43 N 11.41 4.43 -0.17 6.67 2.03 -0.58 -4.89 116.55 135.45 1o1u n ASP 43 Ca 0.40 -2.81 0.00 0.00 0.52 0.00 0.00 54.79 52.90 1o1u n ASP 43 Cb 0.48 -1.65 0.00 0.00 -0.72 0.00 0.00 41.12 39.23 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -1.92 0.00 0.00 177.20 175.89 1o1u n GLY 44 N 4.03 -0.28 0.47 0.27 0.00 -1.26 -3.10 105.19 105.32 1o1u n GLY 44 Ca 0.55 -1.04 0.35 0.00 0.00 0.00 0.00 46.02 45.88 1o1u n GLY 44 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1o1u h GLN 45 N 0.00 0.13 -6.10 1.61 4.15 -1.94 -3.34 115.11 109.61 1o1u h GLN 45 Ca 0.00 -0.01 -0.57 0.00 0.77 0.00 0.00 58.65 58.84 1o1u h GLN 45 Cb 0.00 -0.03 -0.06 0.00 0.21 0.00 0.00 27.48 27.60 1o1u h GLN 45 CO 0.00 0.09 0.68 0.34 -1.93 0.00 0.00 178.83 178.01 1o1u s ASP 46 N -4.65 7.11 0.39 -0.69 2.15 -1.18 -2.23 116.67 117.57 1o1u s ASP 46 Ca -0.08 1.39 0.01 0.00 0.43 0.00 0.00 52.55 54.30 1o1u s ASP 46 Cb 0.28 -2.53 -0.02 0.00 -0.30 0.00 0.00 42.92 40.35 1o1u s ASP 46 CO 0.82 -0.58 0.59 -0.36 -0.17 0.00 0.00 175.17 175.48 1o1u s PHE 47 N 2.76 3.37 -0.51 -5.34 0.40 0.33 -1.53 117.98 117.45 1o1u s PHE 47 Ca 0.44 0.28 0.04 0.00 -0.60 0.00 0.00 56.93 57.09 1o1u s PHE 47 Cb -0.16 -2.06 0.17 0.00 0.51 0.00 0.00 43.02 41.47 1o1u s PHE 47 CO 0.10 -0.07 0.38 0.95 0.70 0.00 0.00 175.22 177.28 1o1u s THR 48 N -2.41 1.27 0.69 0.64 -4.23 0.24 -3.08 115.64 108.75 1o1u s THR 48 Ca 0.43 -3.18 -0.11 0.00 -1.18 0.00 0.00 61.69 57.65 1o1u s THR 48 Cb -0.10 -1.86 0.00 0.00 1.34 0.00 0.00 72.50 71.89 1o1u s THR 48 CO 0.37 -1.13 1.07 0.86 -0.54 0.00 0.00 174.62 175.24 1o1u s TRP 49 N -0.42 3.34 0.10 3.99 -0.11 -1.23 -2.47 118.94 122.14 1o1u s TRP 49 Ca 0.29 1.18 -0.20 0.00 1.22 0.00 0.00 56.10 58.59 1o1u s TRP 49 Cb -0.01 -2.95 0.05 0.00 -1.50 0.00 0.00 33.47 29.06 1o1u s TRP 49 CO -0.17 -1.10 0.48 -1.12 -4.62 0.00 0.00 176.95 170.41 1o1u s SER 50 N -4.19 -0.37 -0.18 5.86 0.01 0.02 -3.20 113.70 111.67 1o1u s SER 50 Ca 0.57 -0.06 -0.03 0.00 1.31 0.00 0.00 55.95 57.75 1o1u s SER 50 Cb -0.12 0.50 0.06 0.00 0.21 0.00 0.00 66.02 66.66 1o1u s SER 50 CO 0.53 -0.81 0.03 -1.10 0.41 0.00 0.00 173.24 172.31 1o1u s GLN 51 N -3.18 0.61 -0.19 12.44 -0.21 -0.06 -1.60 119.66 127.47 1o1u s GLN 51 Ca -0.01 -0.34 -0.09 0.00 0.02 0.00 0.00 55.36 54.94 1o1u s GLN 51 Cb 0.00 -1.96 -0.05 0.00 1.00 0.00 0.00 33.01 32.01 1o1u s GLN 51 CO -0.08 -0.60 0.12 -1.01 -2.12 0.00 0.00 175.29 171.61 1o1u s HIS 52 N 1.89 3.42 -0.15 0.91 3.76 0.28 -1.36 115.29 124.05 1o1u s HIS 52 Ca -0.00 0.33 -0.30 0.00 -0.15 0.00 0.00 55.06 54.94 1o1u s HIS 52 Cb -0.16 -2.12 0.13 0.00 1.11 0.00 0.00 32.58 31.54 1o1u s HIS 52 CO -0.08 0.34 1.02 1.52 -0.85 0.00 0.00 174.74 176.70 1o1u s TYR 53 N 0.15 -0.33 -1.07 1.40 1.13 -1.16 -1.98 117.35 115.49 1o1u s TYR 53 Ca 0.09 0.49 -0.07 0.00 -1.41 0.00 0.00 57.07 56.16 1o1u s TYR 53 Cb -0.11 0.47 -0.06 0.00 -1.10 0.00 0.00 41.96 41.16 1o1u s TYR 53 CO -0.01 -0.34 0.91 0.43 -2.51 0.00 0.00 175.55 174.03 1o1u n SER 54 N 0.51 -6.12 0.00 -0.18 7.64 -1.26 -3.89 113.62 110.32 1o1u n SER 54 Ca -0.09 -0.74 0.00 0.00 1.01 0.00 0.00 58.87 59.05 1o1u n SER 54 Cb 0.59 -4.97 0.00 0.00 -1.01 0.00 0.00 64.21 58.82 1o1u n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1o1u n GLY 55 N -1.28 0.58 2.39 0.23 0.00 -1.26 -2.55 105.19 103.30 1o1u n GLY 55 Ca -0.09 0.67 -0.40 0.00 0.00 0.00 0.00 46.02 46.20 1o1u n GLY 55 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 56 N 0.00 4.55 2.73 -0.02 0.00 -1.26 -4.40 105.19 106.80 1o1u n GLY 56 Ca 0.00 -1.68 -0.06 0.00 0.00 0.00 0.00 46.02 44.28 1o1u n GLY 56 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1o1u n HIS 57 N 3.16 -2.83 -2.86 1.61 -0.00 -1.06 -5.06 115.22 108.18 1o1u n HIS 57 Ca 0.72 -1.44 -0.43 0.00 -0.00 0.00 0.00 57.72 56.57 1o1u n HIS 57 Cb 0.24 1.45 -0.03 0.00 -0.00 0.00 0.00 29.99 31.65 1o1u n HIS 57 CO 0.00 0.00 0.00 0.99 -0.00 0.00 0.00 176.34 177.33 1o1u s THR 58 N 0.65 4.42 0.62 3.57 2.01 -1.26 -2.97 115.64 122.67 1o1u s THR 58 Ca 0.30 -0.74 -0.16 0.00 0.31 0.00 0.00 61.69 61.40 1o1u s THR 58 Cb 0.18 -4.73 -0.02 0.00 0.01 0.00 0.00 72.50 67.94 1o1u s THR 58 CO -0.18 -1.49 1.11 -0.32 -0.69 0.00 0.00 174.62 173.05 1o1u s MET 59 N 3.70 3.02 0.06 4.92 0.00 -0.46 -4.85 119.30 125.69 1o1u s MET 59 Ca 0.26 1.44 0.01 0.00 0.00 0.00 0.00 55.69 57.41 1o1u s MET 59 Cb -0.13 -1.98 -0.03 0.00 0.00 0.00 0.00 34.83 32.70 1o1u s MET 59 CO 0.03 -1.08 -0.06 0.99 0.00 0.00 0.00 175.02 174.90 1o1u s THR 60 N -2.18 0.51 -0.46 10.11 2.01 -1.26 -0.88 115.64 123.49 1o1u s THR 60 Ca 0.68 -1.41 0.07 0.00 0.31 0.00 0.00 61.69 61.34 1o1u s THR 60 Cb -0.21 -1.01 0.23 0.00 0.01 0.00 0.00 72.50 71.51 1o1u s THR 60 CO 0.36 -0.62 0.51 0.59 -0.69 0.00 0.00 174.62 174.78 1o1u n ASN 61 N 0.85 0.78 -4.82 3.53 4.13 -1.19 -4.59 115.26 113.94 1o1u n ASN 61 Ca -0.19 -2.77 -0.32 0.00 1.68 0.00 0.00 54.58 52.98 1o1u n ASN 61 Cb 0.57 -0.63 0.01 0.00 -1.54 0.00 0.00 39.78 38.19 1o1u n ASN 61 CO 0.00 0.00 0.00 -1.59 0.28 0.00 0.00 177.26 175.95 1o1u s LYS 62 N -1.12 3.41 0.13 3.52 -2.85 -1.26 -3.48 119.74 118.09 1o1u s LYS 62 Ca 0.35 1.03 -0.25 0.00 -1.00 0.00 0.00 55.97 56.10 1o1u s LYS 62 Cb 0.12 -2.05 0.08 0.00 -2.06 0.00 0.00 37.83 33.92 1o1u s LYS 62 CO -0.12 -0.72 1.03 -0.59 0.10 0.00 0.00 175.35 175.05 1o1u s PHE 63 N -2.72 -0.08 -0.06 1.78 -0.12 -1.18 -4.74 117.98 110.86 1o1u s PHE 63 Ca 0.60 -0.21 0.02 0.00 -0.05 0.00 0.00 56.93 57.29 1o1u s PHE 63 Cb -0.13 0.64 0.02 0.00 -0.63 0.00 0.00 43.02 42.91 1o1u s PHE 63 CO 0.42 -0.75 -0.11 0.99 -0.05 0.00 0.00 175.22 175.72 1o1u s THR 64 N -2.93 1.03 0.26 -4.49 2.01 -1.26 -0.52 115.64 109.75 1o1u s THR 64 Ca 0.14 -0.41 -0.19 0.00 0.31 0.00 0.00 61.69 61.55 1o1u s THR 64 Cb -0.01 -0.96 -0.09 0.00 0.01 0.00 0.00 72.50 71.46 1o1u s THR 64 CO 0.02 0.33 0.75 0.68 -0.69 0.00 0.00 174.62 175.72 1o1u s VAL 65 N 0.77 4.56 0.00 3.82 -7.23 -0.95 -2.88 120.40 118.49 1o1u s VAL 65 Ca -0.13 1.24 0.00 0.00 -1.81 0.00 0.00 61.98 61.28 1o1u s VAL 65 Cb -0.15 -3.79 0.00 0.00 0.56 0.00 0.00 36.38 32.99 1o1u s VAL 65 CO 0.02 0.08 0.00 0.61 -0.31 0.00 0.00 175.10 175.50 1o1u n GLY 66 N 0.37 0.30 0.00 2.32 0.00 0.89 -4.83 105.19 104.23 1o1u n GLY 66 Ca -0.00 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.02 1o1u n GLY 66 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 173.32 174.49 1o1u n LYS 67 N -1.18 0.00 -1.61 1.61 4.81 -1.14 -5.08 118.16 115.57 1o1u n LYS 67 Ca 0.00 -0.19 0.00 0.00 -0.87 0.00 0.00 58.31 57.25 1o1u n LYS 67 Cb 0.20 -0.55 0.00 0.00 0.02 0.00 0.00 35.03 34.70 1o1u n LYS 67 CO 0.00 0.00 0.00 -1.91 1.17 0.00 0.00 177.40 176.66 1o1u n GLU 68 N -0.01 -4.61 -3.59 1.64 2.13 -1.22 -4.97 120.64 110.00 1o1u n GLU 68 Ca 0.00 3.42 -0.08 0.00 0.66 0.00 0.00 57.16 61.16 1o1u n GLU 68 Cb 0.29 -3.83 -0.02 0.00 0.27 0.00 0.00 31.44 28.15 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.41 0.00 0.00 177.13 175.60 1o1u s SER 69 N -3.16 -0.36 0.30 4.31 0.01 -1.16 -4.70 113.70 108.95 1o1u s SER 69 Ca 0.00 -0.17 -0.29 0.00 1.31 0.00 0.00 55.95 56.80 1o1u s SER 69 Cb 0.00 0.51 -0.09 0.00 0.21 0.00 0.00 66.02 66.64 1o1u s SER 69 CO 0.00 -0.87 1.11 0.54 0.41 0.00 0.00 173.24 174.44 1o1u s ASN 70 N -2.71 7.14 0.02 2.44 2.20 -1.26 -2.93 114.94 119.83 1o1u s ASN 70 Ca 0.06 2.28 0.01 0.00 -0.94 0.00 0.00 52.86 54.28 1o1u s ASN 70 Cb -0.02 -2.62 -0.02 0.00 -2.00 0.00 0.00 41.25 36.59 1o1u s ASN 70 CO -0.05 -0.24 -0.05 -0.63 -2.94 0.00 0.00 177.10 173.19 1o1u s ILE 71 N -1.22 0.31 -0.77 0.54 1.01 0.55 -4.81 121.20 116.81 1o1u s ILE 71 Ca 0.47 -0.70 0.02 0.00 0.00 0.00 0.00 60.65 60.44 1o1u s ILE 71 Cb -0.31 -0.36 0.34 0.00 0.01 0.00 0.00 42.46 42.13 1o1u s ILE 71 CO 0.40 -0.26 1.36 0.00 0.00 0.00 0.00 174.94 176.44 1o1u n GLN 72 N 2.04 4.13 -0.65 2.79 10.64 -1.26 -0.30 117.38 134.78 1o1u n GLN 72 Ca -0.20 -4.72 -0.32 0.00 -1.83 0.00 0.00 57.00 49.94 1o1u n GLN 72 Cb 0.56 -2.33 0.18 0.00 -0.86 0.00 0.00 30.24 27.79 1o1u n GLN 72 CO 0.00 0.00 0.00 -2.37 -1.83 0.00 0.00 177.06 172.86 1o1u n THR 73 N -0.20 0.00 -1.73 -0.39 5.66 -1.26 -4.88 114.28 111.48 1o1u n THR 73 Ca 0.39 -0.31 -0.37 0.00 -3.05 0.00 0.00 64.05 60.70 1o1u n THR 73 Cb 0.34 -0.63 0.06 0.00 -1.55 0.00 0.00 70.33 68.56 1o1u n THR 73 CO 0.00 0.00 0.00 0.23 -3.05 0.00 0.00 175.07 172.25 1o1u n MET 74 N -2.29 1.25 -0.21 1.09 0.00 -1.26 -4.87 117.12 110.83 1o1u n MET 74 Ca 0.01 0.48 0.00 0.00 0.00 0.00 0.00 57.70 58.19 1o1u n MET 74 Cb 0.62 -2.54 0.00 0.00 0.00 0.00 0.00 33.22 31.30 1o1u n MET 74 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 175.97 176.38 1o1u n GLY 75 N 0.89 0.84 0.17 3.03 0.00 -1.26 -4.95 105.19 103.92 1o1u n GLY 75 Ca 0.15 -1.90 0.11 0.00 0.00 0.00 0.00 46.02 44.38 1o1u n GLY 75 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1o1u h GLY 76 N 0.00 0.00 -2.26 -0.02 0.00 -1.89 -3.48 103.07 95.42 1o1u h GLY 76 Ca 0.00 0.00 -0.35 0.00 0.00 0.00 0.00 47.33 46.98 1o1u h GLY 76 CO 0.00 0.00 -0.54 0.54 0.00 0.00 0.00 176.54 176.54 1o1u s LYS 77 N -3.26 1.50 0.56 4.80 1.02 -1.26 -5.15 119.74 117.95 1o1u s LYS 77 Ca 0.04 -1.82 -0.16 0.00 0.02 0.00 0.00 55.97 54.04 1o1u s LYS 77 Cb 0.07 0.31 -0.06 0.00 -0.52 0.00 0.00 37.83 37.63 1o1u s LYS 77 CO 0.72 -0.53 1.02 0.99 -0.92 0.00 0.00 175.35 176.63 1o1u s THR 78 N -3.77 4.16 0.19 2.17 2.01 -1.26 -4.77 115.64 114.37 1o1u s THR 78 Ca 0.39 1.02 0.02 0.00 0.31 0.00 0.00 61.69 63.44 1o1u s THR 78 Cb 0.04 -3.55 -0.01 0.00 0.01 0.00 0.00 72.50 69.00 1o1u s THR 78 CO 0.20 -0.60 0.07 0.49 -0.69 0.00 0.00 174.62 174.09 1o1u n PHE 79 N -1.83 0.04 -4.08 4.92 3.72 0.59 -4.99 117.46 115.83 1o1u n PHE 79 Ca 0.08 -1.27 -0.14 0.00 -0.05 0.00 0.00 57.45 56.08 1o1u n PHE 79 Cb 0.53 0.01 -0.12 0.00 -0.94 0.00 0.00 39.48 38.96 1o1u n PHE 79 CO 0.00 0.00 0.00 0.21 -0.05 0.00 0.00 176.76 176.92 1o1u s LYS 80 N -2.74 0.49 0.15 -1.08 2.20 -1.26 -0.33 119.74 117.17 1o1u s LYS 80 Ca 0.11 -0.60 -0.24 0.00 -0.36 0.00 0.00 55.97 54.87 1o1u s LYS 80 Cb 0.01 -0.31 0.07 0.00 -1.51 0.00 0.00 37.83 36.08 1o1u s LYS 80 CO 0.07 0.06 0.71 0.00 -0.36 0.00 0.00 175.35 175.83 1o1u s ALA 81 N -1.06 -1.57 -0.49 3.13 0.00 -1.15 -4.38 121.76 116.25 1o1u s ALA 81 Ca -0.07 0.39 -0.10 0.00 0.00 0.00 0.00 51.96 52.18 1o1u s ALA 81 Cb -0.08 0.77 0.12 0.00 0.00 0.00 0.00 23.12 23.94 1o1u s ALA 81 CO 0.00 -0.83 0.38 0.99 0.00 0.00 0.00 175.76 176.30 1o1u s THR 82 N -3.63 4.40 0.41 0.00 2.01 -1.14 -2.99 115.64 114.70 1o1u s THR 82 Ca 0.05 -1.75 -0.24 0.00 0.31 0.00 0.00 61.69 60.06 1o1u s THR 82 Cb -0.02 -3.88 -0.09 0.00 0.01 0.00 0.00 72.50 68.52 1o1u s THR 82 CO -0.07 -0.80 1.06 -0.69 -0.69 0.00 0.00 174.62 173.44 1o1u s VAL 83 N 1.38 3.64 0.32 3.82 1.01 -1.26 -3.67 120.40 125.64 1o1u s VAL 83 Ca 0.05 1.26 0.07 0.00 0.00 0.00 0.00 61.98 63.36 1o1u s VAL 83 Cb -0.27 -3.65 -0.03 0.00 0.00 0.00 0.00 36.38 32.44 1o1u s VAL 83 CO -0.00 0.01 0.28 0.00 0.00 0.00 0.00 175.10 175.39 1o1u n GLN 84 N -0.11 0.41 -4.32 2.72 6.02 0.12 -0.08 117.38 122.14 1o1u n GLN 84 Ca 0.05 -3.18 -0.17 0.00 -0.01 0.00 0.00 57.00 53.69 1o1u n GLN 84 Cb 0.49 2.63 -0.10 0.00 1.02 0.00 0.00 30.24 34.29 1o1u n GLN 84 CO 0.00 0.00 0.00 -1.64 -1.01 0.00 0.00 177.06 174.41 1o1u s MET 85 N -3.27 1.48 -0.46 -1.09 -1.94 -1.26 -0.86 119.30 111.89 1o1u s MET 85 Ca 0.38 -1.82 0.07 0.00 -1.71 0.00 0.00 55.69 52.61 1o1u s MET 85 Cb 0.02 -0.17 0.28 0.00 2.01 0.00 0.00 34.83 36.97 1o1u s MET 85 CO 0.27 -0.37 0.92 -0.85 -0.01 0.00 0.00 175.02 174.99 1o1u n GLU 86 N -0.50 0.88 0.00 2.03 0.28 0.02 -4.85 120.64 118.50 1o1u n GLU 86 Ca 0.00 -2.12 0.00 0.00 -0.16 0.00 0.00 57.16 54.89 1o1u n GLU 86 Cb 0.66 -1.30 0.00 0.00 1.43 0.00 0.00 31.44 32.23 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 1o1u n GLY 87 N 1.00 1.00 2.25 -1.84 0.00 -1.26 -3.96 105.19 102.38 1o1u n GLY 87 Ca 0.11 -0.80 -0.28 0.00 0.00 0.00 0.00 46.02 45.05 1o1u n GLY 87 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 88 N 0.00 6.16 3.28 -0.02 0.00 -1.26 -5.01 105.19 108.34 1o1u n GLY 88 Ca 0.00 -2.62 -0.13 0.00 0.00 0.00 0.00 46.02 43.26 1o1u n GLY 88 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 1o1u s LYS 89 N -3.66 0.77 0.15 1.61 2.36 -1.25 -3.84 119.74 115.88 1o1u s LYS 89 Ca 0.53 -0.23 0.10 0.00 -2.55 0.00 0.00 55.97 53.81 1o1u s LYS 89 Cb 0.43 0.34 -0.04 0.00 -1.05 0.00 0.00 37.83 37.51 1o1u s LYS 89 CO -0.06 -0.23 -0.23 -1.17 1.55 0.00 0.00 175.35 175.21 1o1u s LEU 90 N -1.56 2.38 0.02 5.43 2.96 -0.00 -0.80 118.68 127.11 1o1u s LEU 90 Ca -0.10 -0.80 0.00 0.00 -0.22 0.00 0.00 54.13 53.01 1o1u s LEU 90 Cb -0.03 -1.04 -0.02 0.00 0.50 0.00 0.00 46.19 45.60 1o1u s LEU 90 CO 0.02 0.09 -0.03 -0.69 -1.32 0.00 0.00 176.35 174.42 1o1u s VAL 91 N -1.49 0.15 0.13 1.68 1.01 -0.04 -2.26 120.40 119.58 1o1u s VAL 91 Ca 0.15 -0.72 -0.22 0.00 0.00 0.00 0.00 61.98 61.19 1o1u s VAL 91 Cb -0.08 -0.25 0.06 0.00 0.00 0.00 0.00 36.38 36.10 1o1u s VAL 91 CO 0.07 -0.36 0.55 0.54 0.00 0.00 0.00 175.10 175.90 1o1u s VAL 92 N -1.10 0.02 -0.11 2.92 0.11 -0.01 0.13 120.40 122.35 1o1u s VAL 92 Ca -0.11 -0.15 -0.10 0.00 -2.93 0.00 0.00 61.98 58.69 1o1u s VAL 92 Cb -0.08 -1.04 0.03 0.00 -1.53 0.00 0.00 36.38 33.77 1o1u s VAL 92 CO -0.01 -0.08 0.30 0.54 -3.33 0.00 0.00 175.10 172.52 1o1u s ASN 93 N -2.64 -0.31 0.35 3.54 2.20 -1.24 -2.36 114.94 114.48 1o1u s ASN 93 Ca 0.00 0.61 0.09 0.00 -0.94 0.00 0.00 52.86 52.62 1o1u s ASN 93 Cb -0.00 0.60 -0.06 0.00 -2.00 0.00 0.00 41.25 39.78 1o1u s ASN 93 CO -0.11 -0.11 -0.06 -0.36 -2.94 0.00 0.00 177.10 173.52 1o1u s PHE 94 N 0.28 2.45 -1.28 1.54 0.40 -0.80 -2.88 117.98 117.69 1o1u s PHE 94 Ca -0.01 -0.50 -0.12 0.00 -0.60 0.00 0.00 56.93 55.70 1o1u s PHE 94 Cb -0.03 -1.43 -0.06 0.00 0.51 0.00 0.00 43.02 42.01 1o1u s PHE 94 CO -0.01 0.55 2.39 -0.35 0.70 0.00 0.00 175.22 178.50 1o1u n PRO 95 N -0.84 2.73 0.00 0.24 -0.04 -1.26 -4.20 135.00 131.63 1o1u n PRO 95 Ca -0.05 -2.09 0.00 0.00 -0.04 0.00 0.00 63.50 61.32 1o1u n PRO 95 Cb 0.63 -2.88 0.00 0.00 -0.04 0.00 0.00 33.50 31.21 1o1u n PRO 95 CO 0.00 0.00 0.00 0.09 -0.04 0.00 0.00 175.50 175.55 1o1u n ASN 96 N 5.10 0.00 -3.13 3.54 3.02 -1.26 -5.12 115.26 117.41 1o1u n ASN 96 Ca 0.59 0.00 -0.11 0.00 -0.03 0.00 0.00 54.58 55.03 1o1u n ASN 96 Cb 0.28 0.00 -0.01 0.00 -0.61 0.00 0.00 39.78 39.45 1o1u n ASN 96 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 1o1u n TYR 97 N -0.43 -0.79 -4.12 3.10 4.11 -1.26 -4.87 117.16 112.91 1o1u n TYR 97 Ca 0.00 -0.95 -0.09 0.00 -0.00 0.00 0.00 57.90 56.86 1o1u n TYR 97 Cb 0.00 -0.17 -0.10 0.00 -0.00 0.00 0.00 39.34 39.07 1o1u n TYR 97 CO 0.00 0.00 0.00 -1.58 -0.00 0.00 0.00 176.86 175.28 1o1u s HIS 98 N -1.23 0.68 -0.03 -3.48 5.65 0.11 -1.90 115.29 115.09 1o1u s HIS 98 Ca 0.10 -0.97 -0.23 0.00 0.25 0.00 0.00 55.06 54.20 1o1u s HIS 98 Cb -0.01 -0.44 0.05 0.00 -1.18 0.00 0.00 32.58 31.00 1o1u s HIS 98 CO 0.06 -0.26 0.51 -1.14 -0.65 0.00 0.00 174.74 173.25 1o1u s GLN 99 N -3.75 0.88 -0.22 2.88 -0.44 -0.99 -0.71 119.66 117.30 1o1u s GLN 99 Ca 0.08 0.04 -0.03 0.00 -2.50 0.00 0.00 55.36 52.95 1o1u s GLN 99 Cb 0.06 0.40 0.11 0.00 -1.64 0.00 0.00 33.01 31.94 1o1u s GLN 99 CO -0.07 -0.26 0.27 0.95 0.50 0.00 0.00 175.29 176.68 1o1u s THR 100 N -1.27 -0.40 0.42 -0.34 -4.23 -1.10 -0.83 115.64 107.88 1o1u s THR 100 Ca -0.12 -0.15 -0.01 0.00 -1.18 0.00 0.00 61.69 60.23 1o1u s THR 100 Cb -0.02 -0.75 -0.02 0.00 1.34 0.00 0.00 72.50 73.04 1o1u s THR 100 CO 0.07 -0.21 0.66 -0.44 -0.54 0.00 0.00 174.62 174.15 1o1u s SER 101 N 2.39 6.13 -0.15 3.99 0.01 -0.96 -2.70 113.70 122.40 1o1u s SER 101 Ca 0.09 0.54 -0.06 0.00 1.31 0.00 0.00 55.95 57.83 1o1u s SER 101 Cb -0.15 -1.94 0.07 0.00 0.21 0.00 0.00 66.02 64.21 1o1u s SER 101 CO -0.15 -0.51 0.31 -0.70 0.41 0.00 0.00 173.24 172.59 1o1u s GLU 102 N -4.52 0.21 0.29 12.44 2.12 -0.93 -0.82 118.70 127.48 1o1u s GLU 102 Ca 0.45 0.82 -0.16 0.00 0.36 0.00 0.00 54.97 56.43 1o1u s GLU 102 Cb -0.10 0.06 -0.09 0.00 0.26 0.00 0.00 34.13 34.27 1o1u s GLU 102 CO 0.39 -0.26 0.73 0.42 -0.54 0.00 0.00 175.26 175.99 1o1u s ILE 103 N 2.37 4.65 -0.44 -3.70 -1.09 -1.25 -2.07 121.20 119.68 1o1u s ILE 103 Ca -0.01 1.03 0.06 0.00 -2.23 0.00 0.00 60.65 59.50 1o1u s ILE 103 Cb -0.12 -3.68 0.20 0.00 -1.58 0.00 0.00 42.46 37.28 1o1u s ILE 103 CO -0.10 -0.06 0.44 0.52 -1.23 0.00 0.00 174.94 174.51 1o1u n VAL 104 N -0.03 -0.60 0.00 2.92 0.31 -0.20 -4.88 118.33 115.85 1o1u n VAL 104 Ca 0.02 -3.86 0.00 0.00 -0.01 0.00 0.00 64.34 60.49 1o1u n VAL 104 Cb 0.52 -1.83 0.00 0.00 -0.91 0.00 0.00 33.84 31.62 1o1u n VAL 104 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1o1u n GLY 105 N 2.13 1.62 2.24 2.92 0.00 -1.26 -3.44 105.19 109.40 1o1u n GLY 105 Ca 0.26 0.30 -0.19 0.00 0.00 0.00 0.00 46.02 46.39 1o1u n GLY 105 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1o1u n ASP 106 N 3.68 1.01 -3.64 1.61 8.00 -1.26 -5.07 116.55 120.88 1o1u n ASP 106 Ca 0.00 -3.02 -0.07 0.00 0.71 0.00 0.00 54.79 52.41 1o1u n ASP 106 Cb 0.00 -0.62 -0.07 0.00 -0.02 0.00 0.00 41.12 40.41 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 -0.39 0.00 0.00 177.20 176.06 1o1u s LYS 107 N -2.36 0.39 -0.08 -1.24 2.20 -1.22 -3.62 119.74 113.81 1o1u s LYS 107 Ca 0.40 0.51 0.01 0.00 -0.36 0.00 0.00 55.97 56.53 1o1u s LYS 107 Cb 0.32 0.17 -0.02 0.00 -1.51 0.00 0.00 37.83 36.79 1o1u s LYS 107 CO -0.09 -0.05 -0.11 -1.17 -0.36 0.00 0.00 175.35 173.57 1o1u s LEU 108 N 0.43 2.90 0.31 5.43 2.96 0.38 -1.03 118.68 130.05 1o1u s LEU 108 Ca 0.01 -0.17 0.03 0.00 -0.22 0.00 0.00 54.13 53.78 1o1u s LEU 108 Cb -0.05 -1.62 -0.04 0.00 0.50 0.00 0.00 46.19 44.98 1o1u s LEU 108 CO -0.10 0.30 0.14 0.68 -1.32 0.00 0.00 176.35 176.05 1o1u s VAL 109 N -0.44 0.45 0.04 1.68 -7.23 -0.88 0.67 120.40 114.69 1o1u s VAL 109 Ca 0.06 -2.00 -0.13 0.00 -1.81 0.00 0.00 61.98 58.10 1o1u s VAL 109 Cb -0.12 -2.54 0.02 0.00 0.56 0.00 0.00 36.38 34.29 1o1u s VAL 109 CO 0.02 0.00 0.27 -0.70 -0.31 0.00 0.00 175.10 174.38 1o1u s GLU 110 N -3.86 0.78 -0.18 4.82 -6.30 -0.48 -2.20 118.70 111.28 1o1u s GLU 110 Ca 0.35 -0.55 -0.05 0.00 -2.50 0.00 0.00 54.97 52.23 1o1u s GLU 110 Cb 0.06 0.33 0.06 0.00 0.00 0.00 0.00 34.13 34.58 1o1u s GLU 110 CO 0.16 -0.24 0.09 0.08 0.02 0.00 0.00 175.26 175.37 1o1u s VAL 111 N -2.58 -0.03 0.86 3.70 1.01 -1.10 -1.95 120.40 120.31 1o1u s VAL 111 Ca -0.05 -0.25 -0.12 0.00 0.00 0.00 0.00 61.98 61.57 1o1u s VAL 111 Cb -0.01 -0.65 0.14 0.00 0.00 0.00 0.00 36.38 35.87 1o1u s VAL 111 CO -0.04 -0.31 1.21 -0.94 0.00 0.00 0.00 175.10 175.02 1o1u s SER 112 N 2.11 3.84 0.03 3.32 1.04 0.86 -2.72 113.70 122.19 1o1u s SER 112 Ca 0.02 0.35 -0.27 0.00 0.48 0.00 0.00 55.95 56.53 1o1u s SER 112 Cb -0.16 -0.63 0.08 0.00 0.10 0.00 0.00 66.02 65.41 1o1u s SER 112 CO -0.11 -2.27 0.71 -0.89 0.98 0.00 0.00 173.24 171.66 1o1u s THR 113 N -3.64 0.00 0.12 2.02 2.01 0.11 -3.55 115.64 112.72 1o1u s THR 113 Ca 0.68 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.68 1o1u s THR 113 Cb -0.07 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1o1u s THR 113 CO 0.50 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.43 1o1u n ILE 114 N 0.18 0.00 -2.73 1.82 3.06 -1.10 0.04 119.36 120.63 1o1u n ILE 114 Ca -0.16 0.00 -0.07 0.00 -2.50 0.00 0.00 62.75 60.02 1o1u n ILE 114 Cb 0.61 -0.16 0.05 0.00 0.54 0.00 0.00 39.64 40.68 1o1u n ILE 114 CO 0.00 0.00 0.00 0.61 -2.50 0.00 0.00 176.55 174.66 1o1u n GLY 115 N -0.54 -0.47 2.16 4.50 0.00 -1.26 -4.91 105.19 104.67 1o1u n GLY 115 Ca 0.00 0.39 -0.07 0.00 0.00 0.00 0.00 46.02 46.35 1o1u n GLY 115 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 116 N 1.72 0.48 3.17 -0.02 0.00 -1.26 -5.03 105.19 104.25 1o1u n GLY 116 Ca 0.08 -0.67 -0.12 0.00 0.00 0.00 0.00 46.02 45.30 1o1u n GLY 116 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1o1u s VAL 117 N -2.30 0.06 0.15 1.61 1.01 -1.26 -5.15 120.40 114.53 1o1u s VAL 117 Ca 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 61.98 61.45 1o1u s VAL 117 Cb 0.00 -0.52 -0.04 0.00 0.00 0.00 0.00 36.38 35.82 1o1u s VAL 117 CO 0.00 -0.29 0.03 -0.89 0.00 0.00 0.00 175.10 173.94 1o1u s THR 118 N -1.24 0.40 -0.09 3.92 2.01 -1.26 -2.72 115.64 116.65 1o1u s THR 118 Ca -0.13 -1.94 -0.03 0.00 0.31 0.00 0.00 61.69 59.90 1o1u s THR 118 Cb -0.06 -2.07 0.05 0.00 0.01 0.00 0.00 72.50 70.43 1o1u s THR 118 CO 0.03 -0.49 0.13 -0.47 -0.69 0.00 0.00 174.62 173.13 1o1u s TYR 119 N -3.84 -0.09 0.27 4.92 5.04 -1.23 -4.50 117.35 117.91 1o1u s TYR 119 Ca 0.23 0.40 0.10 0.00 -2.44 0.00 0.00 57.07 55.37 1o1u s TYR 119 Cb 0.07 -0.37 -0.05 0.00 0.35 0.00 0.00 41.96 41.96 1o1u s TYR 119 CO 0.03 -0.30 -0.17 -1.83 -1.34 0.00 0.00 175.55 171.94 1o1u s GLU 120 N 2.25 1.60 -0.02 4.97 -1.05 -1.12 -0.10 118.70 125.23 1o1u s GLU 120 Ca 0.04 -1.75 -0.29 0.00 -0.15 0.00 0.00 54.97 52.83 1o1u s GLU 120 Cb -0.13 -1.57 0.09 0.00 -0.44 0.00 0.00 34.13 32.09 1o1u s GLU 120 CO -0.06 0.25 0.79 0.50 0.95 0.00 0.00 175.26 177.70 1o1u s ARG 121 N -3.57 0.94 -0.42 -4.83 3.52 -0.82 -2.65 118.95 111.11 1o1u s ARG 121 Ca 0.28 -0.06 0.02 0.00 -0.13 0.00 0.00 55.73 55.84 1o1u s ARG 121 Cb -0.03 0.44 0.14 0.00 -1.56 0.00 0.00 34.95 33.94 1o1u s ARG 121 CO 0.13 -0.35 0.23 0.08 -0.81 0.00 0.00 175.30 174.58 1o1u s VAL 122 N -2.19 1.17 -0.60 7.11 1.01 -1.17 -1.38 120.40 124.35 1o1u s VAL 122 Ca -0.02 -2.38 -0.25 0.00 0.00 0.00 0.00 61.98 59.33 1o1u s VAL 122 Cb -0.01 -1.83 0.04 0.00 0.00 0.00 0.00 36.38 34.59 1o1u s VAL 122 CO -0.02 -0.91 1.05 -0.44 0.00 0.00 0.00 175.10 174.79 1o1u s SER 123 N 0.51 6.31 0.99 3.32 0.01 0.21 -4.23 113.70 120.82 1o1u s SER 123 Ca 0.17 -0.38 -0.12 0.00 1.31 0.00 0.00 55.95 56.94 1o1u s SER 123 Cb -0.24 -2.48 0.18 0.00 0.21 0.00 0.00 66.02 63.69 1o1u s SER 123 CO 0.00 -1.41 1.08 -0.54 0.41 0.00 0.00 173.24 172.78 1o1u s LYS 124 N 4.45 0.50 -0.71 12.44 3.01 -0.88 -0.47 119.74 138.08 1o1u s LYS 124 Ca 0.32 0.74 -0.10 0.00 -1.01 0.00 0.00 55.97 55.92 1o1u s LYS 124 Cb -0.11 -1.73 0.19 0.00 -1.01 0.00 0.00 37.83 35.16 1o1u s LYS 124 CO 0.18 -2.74 0.60 0.50 0.51 0.00 0.00 175.35 174.41 1o1u s ARG 125 N -4.85 3.11 0.00 1.68 3.00 -1.24 -1.79 118.95 118.87 1o1u s ARG 125 Ca 0.65 -2.39 0.00 0.00 -1.00 0.00 0.00 55.73 53.00 1o1u s ARG 125 Cb -0.20 -4.14 0.00 0.00 0.00 0.00 0.00 34.95 30.62 1o1u s ARG 125 CO 0.59 -1.24 0.00 1.47 0.00 0.00 0.00 175.30 176.11 1o1u n LEU 126 N 3.95 0.00 0.00 -0.88 -0.00 -1.19 -4.91 117.00 113.97 1o1u n LEU 126 Ca 0.08 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.09 1o1u n LEU 126 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 1o1u n LEU 126 CO 0.35 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.74