#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 -2.09 -3.34 0.00 3.72 -1.26 -4.50 117.46 110.00 1o1u n PHE 2 Ca 0.00 0.59 -0.03 0.00 -0.05 0.00 0.00 57.45 57.96 1o1u n PHE 2 Cb 0.00 -3.51 -0.05 0.00 -0.94 0.00 0.00 39.48 34.98 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 -3.37 -0.79 -4.48 4.37 2.01 -1.26 -2.07 115.64 110.05 1o1u s THR 3 Ca 0.39 -0.01 0.00 0.00 0.31 0.00 0.00 61.69 62.38 1o1u s THR 3 Cb -0.13 -0.88 0.00 0.00 0.01 0.00 0.00 72.50 71.50 1o1u s THR 3 CO 0.84 -0.04 0.00 0.61 -0.69 0.00 0.00 174.62 175.34 1o1u n GLY 4 N 5.40 -1.62 3.53 4.40 0.00 -0.36 -4.97 105.19 111.56 1o1u n GLY 4 Ca -0.04 -1.20 -0.31 0.00 0.00 0.00 0.00 46.02 44.46 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 -1.83 2.29 0.24 1.61 2.20 -1.26 -1.15 119.74 121.84 1o1u s LYS 5 Ca 0.00 -0.87 -0.07 0.00 -0.36 0.00 0.00 55.97 54.67 1o1u s LYS 5 Cb 0.00 -2.34 -0.02 0.00 -1.51 0.00 0.00 37.83 33.96 1o1u s LYS 5 CO 0.00 0.56 0.32 -0.06 -0.36 0.00 0.00 175.35 175.82 1o1u s PHE 6 N -0.98 0.79 -0.07 4.03 0.40 0.24 -3.24 117.98 119.15 1o1u s PHE 6 Ca 0.16 -1.07 -0.21 0.00 -0.60 0.00 0.00 56.93 55.21 1o1u s PHE 6 Cb -0.11 -0.17 0.05 0.00 0.51 0.00 0.00 43.02 43.29 1o1u s PHE 6 CO 0.07 -0.85 0.49 -1.83 0.70 0.00 0.00 175.22 173.80 1o1u s GLU 7 N -4.00 0.78 0.18 0.44 -1.05 -0.63 -0.60 118.70 113.82 1o1u s GLU 7 Ca 0.31 0.19 -0.33 0.00 -0.15 0.00 0.00 54.97 54.99 1o1u s GLU 7 Cb 0.03 0.36 -0.15 0.00 -0.44 0.00 0.00 34.13 33.93 1o1u s GLU 7 CO 0.12 -0.20 1.29 -0.12 0.95 0.00 0.00 175.26 177.29 1o1u n MET 8 N 1.54 1.51 -0.10 -4.83 0.00 -0.57 -1.93 117.12 112.74 1o1u n MET 8 Ca -0.19 0.54 -0.14 0.00 -0.00 0.00 0.00 57.70 57.92 1o1u n MET 8 Cb 0.56 -2.12 -0.05 0.00 0.00 0.00 0.00 33.22 31.61 1o1u n MET 8 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 175.97 174.06 1o1u n GLU 9 N 2.06 0.54 0.08 2.12 2.13 -0.51 -4.74 120.64 122.31 1o1u n GLU 9 Ca 0.14 0.23 0.00 0.00 0.66 0.00 0.00 57.16 58.19 1o1u n GLU 9 Cb 0.26 -1.45 0.00 0.00 0.27 0.00 0.00 31.44 30.52 1o1u n GLU 9 CO 0.00 0.00 0.00 0.43 -0.41 0.00 0.00 177.13 177.15 1o1u n SER 10 N -4.42 0.19 0.00 4.31 7.64 -1.26 -5.05 113.62 115.03 1o1u n SER 10 Ca -0.23 0.26 0.00 0.00 1.01 0.00 0.00 58.87 59.91 1o1u n SER 10 Cb 0.60 0.11 0.00 0.00 -1.01 0.00 0.00 64.21 63.91 1o1u n SER 10 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 1o1u n GLU 11 N -3.25 0.00 -3.64 1.43 1.02 -1.26 -5.00 120.64 109.94 1o1u n GLU 11 Ca 0.00 0.00 -0.13 0.00 -0.02 0.00 0.00 57.16 57.01 1o1u n GLU 11 Cb 0.05 0.00 -0.07 0.00 -0.02 0.00 0.00 31.44 31.40 1o1u n GLU 11 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1o1u s LYS 12 N -3.69 0.80 -1.38 3.49 2.20 -0.88 -4.90 119.74 115.38 1o1u s LYS 12 Ca 0.00 1.01 0.00 0.00 -0.36 0.00 0.00 55.97 56.62 1o1u s LYS 12 Cb 0.00 0.36 0.00 0.00 -1.51 0.00 0.00 37.83 36.68 1o1u s LYS 12 CO 0.00 -0.10 0.00 0.09 -0.36 0.00 0.00 175.35 174.98 1o1u n ASN 13 N 2.93 -5.56 -0.01 1.43 3.02 -1.26 -2.43 115.26 113.38 1o1u n ASN 13 Ca -0.15 0.32 -0.12 0.00 -0.03 0.00 0.00 54.58 54.61 1o1u n ASN 13 Cb 0.56 -4.21 -0.07 0.00 -0.61 0.00 0.00 39.78 35.45 1o1u n ASN 13 CO 0.00 0.00 0.00 0.22 -2.62 0.00 0.00 177.26 174.86 1o1u h TYR 14 N 0.00 0.10 0.65 3.10 5.03 -1.86 -3.21 116.97 120.78 1o1u h TYR 14 Ca -0.27 -0.01 -0.03 0.00 2.58 0.00 0.00 58.73 61.00 1o1u h TYR 14 Cb 1.18 -0.03 0.00 0.00 1.55 0.00 0.00 36.73 39.43 1o1u h TYR 14 CO 0.57 0.23 -0.33 -0.44 -1.32 0.00 0.00 178.16 176.87 1o1u h ASP 15 N -0.06 -0.81 -0.67 -2.11 3.32 -1.93 -2.84 116.42 111.32 1o1u h ASP 15 Ca 0.02 0.03 0.00 0.00 0.02 0.00 0.00 57.03 57.11 1o1u h ASP 15 Cb 0.18 0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.91 1o1u h ASP 15 CO -0.00 -0.55 0.43 -0.33 -1.72 0.00 0.00 179.24 177.07 1o1u h GLU 16 N -0.90 0.90 -1.02 3.56 5.08 -1.94 -0.68 114.58 119.58 1o1u h GLU 16 Ca -0.09 -0.07 0.35 0.00 -1.00 0.00 0.00 59.36 58.56 1o1u h GLU 16 Cb 0.70 -0.20 -0.15 0.00 0.50 0.00 0.00 28.75 29.60 1o1u h GLU 16 CO 0.13 0.62 0.58 0.35 -1.00 0.00 0.00 179.01 179.69 1o1u h PHE 17 N 0.91 0.88 0.11 4.33 3.57 -1.54 0.12 116.94 125.33 1o1u h PHE 17 Ca 0.24 0.04 -0.27 0.00 3.53 0.00 0.00 57.97 61.51 1o1u h PHE 17 Cb -0.07 -0.23 0.01 0.00 2.79 0.00 0.00 35.95 38.45 1o1u h PHE 17 CO -0.02 -0.25 -1.19 0.52 -2.23 0.00 0.00 178.31 175.14 1o1u h MET 18 N 0.23 0.34 -0.44 1.11 2.86 -0.89 0.10 114.93 118.24 1o1u h MET 18 Ca 0.77 -0.51 -0.02 0.00 -2.06 0.00 0.00 59.70 57.87 1o1u h MET 18 Cb 1.86 0.18 -0.02 0.00 0.06 0.00 0.00 31.60 33.68 1o1u h MET 18 CO -0.63 1.22 0.18 1.57 1.06 0.00 0.00 176.91 180.30 1o1u h LYS 19 N 0.12 0.63 0.03 1.72 2.10 -0.30 -1.42 116.57 119.46 1o1u h LYS 19 Ca -0.13 -0.08 -0.00 0.00 -2.00 0.00 0.00 60.65 58.43 1o1u h LYS 19 Cb 1.89 -0.12 0.00 0.00 -0.90 0.00 0.00 32.23 33.11 1o1u h LYS 19 CO 0.20 0.52 -0.02 -0.07 -2.00 0.00 0.00 179.45 178.09 1o1u h LEU 20 N 0.63 -0.04 -0.98 7.07 4.07 -1.19 -3.34 115.31 121.52 1o1u h LEU 20 Ca 0.15 -0.65 0.28 0.00 0.08 0.00 0.00 57.88 57.74 1o1u h LEU 20 Cb 0.13 0.01 -0.14 0.00 1.08 0.00 0.00 40.66 41.74 1o1u h LEU 20 CO -0.02 0.68 0.54 0.25 -1.08 0.00 0.00 178.44 178.81 1o1u h LEU 21 N -0.80 0.52 0.00 1.67 5.85 -0.41 -3.45 115.31 118.69 1o1u h LEU 21 Ca -0.00 0.17 0.00 0.00 0.84 0.00 0.00 57.88 58.89 1o1u h LEU 21 Cb 0.69 0.11 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1o1u h LEU 21 CO 0.01 -0.04 0.00 0.61 -0.34 0.00 0.00 178.44 178.67 1o1u n GLY 22 N -1.31 0.65 3.24 3.75 0.00 -0.57 -5.05 105.19 105.90 1o1u n GLY 22 Ca 0.29 -0.72 -0.16 0.00 0.00 0.00 0.00 46.02 45.43 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 -0.52 1.24 0.02 -0.61 -1.09 -1.13 -4.70 121.20 114.41 1o1u s ILE 23 Ca 0.00 -1.88 -0.23 0.00 -2.23 0.00 0.00 60.65 56.31 1o1u s ILE 23 Cb 0.00 -1.67 -0.05 0.00 -1.58 0.00 0.00 42.46 39.16 1o1u s ILE 23 CO 0.00 -0.58 0.69 -0.55 -1.23 0.00 0.00 174.94 173.26 1o1u s SER 24 N -2.81 7.09 0.32 3.58 0.15 -1.26 -4.83 113.70 115.94 1o1u s SER 24 Ca 0.13 1.31 0.09 0.00 0.70 0.00 0.00 55.95 58.17 1o1u s SER 24 Cb -0.01 -2.42 0.91 0.00 -1.71 0.00 0.00 66.02 62.78 1o1u s SER 24 CO 0.02 0.04 1.68 -1.28 1.20 0.00 0.00 173.24 174.90 1o1u h SER 25 N 5.73 0.41 -0.27 5.45 0.87 -1.99 0.11 113.55 123.87 1o1u h SER 25 Ca -0.44 0.17 0.06 0.00 -1.23 0.00 0.00 61.79 60.35 1o1u h SER 25 Cb 1.20 0.14 -0.06 0.00 -0.44 0.00 0.00 62.40 63.25 1o1u h SER 25 CO 0.71 -0.06 -0.10 -0.78 -0.53 0.00 0.00 176.83 176.06 1o1u h ASP 26 N 0.37 -0.36 1.59 6.23 3.58 -2.01 -1.91 116.42 123.91 1o1u h ASP 26 Ca 0.65 0.09 -0.07 0.00 0.42 0.00 0.00 57.03 58.12 1o1u h ASP 26 Cb 1.36 0.21 -0.01 0.00 1.72 0.00 0.00 39.33 42.61 1o1u h ASP 26 CO -0.57 -0.13 -0.42 -0.37 -2.88 0.00 0.00 179.24 174.86 1o1u h VAL 27 N -0.06 0.51 -0.43 2.25 -1.51 -1.38 -3.14 116.25 112.49 1o1u h VAL 27 Ca 0.14 -1.73 0.06 0.00 -1.23 0.00 0.00 66.70 63.93 1o1u h VAL 27 Cb 0.26 2.21 -0.05 0.00 -2.13 0.00 0.00 31.29 31.58 1o1u h VAL 27 CO -0.31 0.29 0.14 0.40 -1.23 0.00 0.00 177.57 176.86 1o1u h ILE 28 N 0.00 0.85 -0.37 7.19 2.04 -0.16 -0.75 117.51 126.30 1o1u h ILE 28 Ca -0.01 -0.10 0.04 0.00 1.00 0.00 0.00 64.86 65.78 1o1u h ILE 28 Cb 1.25 0.52 -0.02 0.00 -0.74 0.00 0.00 36.82 37.83 1o1u h ILE 28 CO 0.04 0.06 0.25 -0.33 0.00 0.00 0.00 178.15 178.17 1o1u h GLU 29 N 0.30 0.34 0.26 2.37 4.39 -1.33 -0.50 114.58 120.42 1o1u h GLU 29 Ca 0.20 -0.02 -0.01 0.00 0.34 0.00 0.00 59.36 59.87 1o1u h GLU 29 Cb 0.21 -0.08 0.00 0.00 -0.10 0.00 0.00 28.75 28.78 1o1u h GLU 29 CO -0.22 0.23 -0.12 -0.22 -1.16 0.00 0.00 179.01 177.52 1o1u h LYS 30 N 0.35 -0.33 0.00 2.33 3.64 -1.18 -2.90 116.57 118.48 1o1u h LYS 30 Ca 0.16 0.02 0.00 0.00 -1.27 0.00 0.00 60.65 59.56 1o1u h LYS 30 Cb 0.18 0.08 0.00 0.00 -0.41 0.00 0.00 32.23 32.08 1o1u h LYS 30 CO -0.04 -0.22 0.00 0.00 -2.27 0.00 0.00 179.45 176.92 1o1u n ALA 31 N -2.18 1.95 0.01 5.00 0.00 -1.07 -0.75 120.51 123.47 1o1u n ALA 31 Ca -0.04 -0.08 -0.12 0.00 0.00 0.00 0.00 53.44 53.19 1o1u n ALA 31 Cb 0.14 -1.25 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 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 0.01 -0.79 0.00 2.43 -0.88 -3.38 114.38 111.77 1o1u h ARG 32 Ca 0.00 -0.00 -0.34 0.00 -0.81 0.00 0.00 59.98 58.82 1o1u h ARG 32 Cb 0.08 -0.00 -0.40 0.00 -0.42 0.00 0.00 29.97 29.22 1o1u h ARG 32 CO 0.00 0.24 -1.10 -1.71 -1.51 0.00 0.00 179.97 175.89 1o1u n ASN 33 N -4.97 2.03 -4.42 -3.80 2.85 -0.77 -5.02 115.26 101.17 1o1u n ASN 33 Ca -0.08 -2.59 -0.33 0.00 -0.11 0.00 0.00 54.58 51.48 1o1u n ASN 33 Cb 0.14 -0.49 -0.14 0.00 1.24 0.00 0.00 39.78 40.53 1o1u n ASN 33 CO 0.00 0.00 0.00 0.12 -2.11 0.00 0.00 177.26 175.27 1o1u s PHE 34 N -3.47 2.72 0.43 1.20 5.36 0.08 -5.03 117.98 119.26 1o1u s PHE 34 Ca 0.31 -0.40 -0.23 0.00 -0.96 0.00 0.00 56.93 55.65 1o1u s PHE 34 Cb 0.39 -1.71 -0.08 0.00 -0.34 0.00 0.00 43.02 41.29 1o1u s PHE 34 CO -0.01 -0.00 1.08 0.15 -1.46 0.00 0.00 175.22 174.98 1o1u s LYS 35 N -0.27 3.97 -0.07 10.12 -0.14 -1.26 -4.82 119.74 127.27 1o1u s LYS 35 Ca 0.02 1.57 0.00 0.00 -1.36 0.00 0.00 55.97 56.20 1o1u s LYS 35 Cb -0.13 -2.42 0.02 0.00 -1.68 0.00 0.00 37.83 33.62 1o1u s LYS 35 CO 0.03 -0.32 -0.05 0.42 -0.76 0.00 0.00 175.35 174.66 1o1u s ILE 36 N -1.67 0.69 0.33 2.17 1.01 -1.26 -4.53 121.20 117.93 1o1u s ILE 36 Ca 0.61 -0.15 -0.15 0.00 0.00 0.00 0.00 60.65 60.96 1o1u s ILE 36 Cb -0.23 -0.72 -0.09 0.00 0.01 0.00 0.00 42.46 41.42 1o1u s ILE 36 CO 0.29 0.28 0.75 -0.69 0.00 0.00 0.00 174.94 175.57 1o1u s VAL 37 N 1.29 4.66 -0.05 2.92 1.01 0.11 -1.51 120.40 128.83 1o1u s VAL 37 Ca -0.05 0.98 -0.01 0.00 0.00 0.00 0.00 61.98 62.91 1o1u s VAL 37 Cb -0.14 -3.61 0.03 0.00 0.00 0.00 0.00 36.38 32.66 1o1u s VAL 37 CO -0.02 -0.20 0.01 -0.89 0.00 0.00 0.00 175.10 174.00 1o1u s THR 38 N -2.00 0.24 0.12 3.92 2.01 0.23 0.71 115.64 120.87 1o1u s THR 38 Ca 0.55 0.13 0.10 0.00 0.31 0.00 0.00 61.69 62.78 1o1u s THR 38 Cb -0.10 -0.38 -0.04 0.00 0.01 0.00 0.00 72.50 71.99 1o1u s THR 38 CO 0.17 0.20 -0.25 -1.61 -0.69 0.00 0.00 174.62 172.45 1o1u s GLU 39 N 1.56 1.31 0.01 4.92 2.02 -0.81 0.83 118.70 128.53 1o1u s GLU 39 Ca -0.02 -1.26 0.00 0.00 0.02 0.00 0.00 54.97 53.71 1o1u s GLU 39 Cb -0.13 -1.70 -0.01 0.00 0.10 0.00 0.00 34.13 32.39 1o1u s GLU 39 CO -0.03 0.40 -0.02 0.08 0.02 0.00 0.00 175.26 175.71 1o1u s VAL 40 N -1.09 0.10 -0.38 2.63 1.01 -0.30 -0.29 120.40 122.09 1o1u s VAL 40 Ca 0.11 -0.37 0.01 0.00 0.00 0.00 0.00 61.98 61.73 1o1u s VAL 40 Cb -0.10 -0.16 0.15 0.00 0.00 0.00 0.00 36.38 36.27 1o1u s VAL 40 CO 0.05 -0.17 0.25 -1.10 0.00 0.00 0.00 175.10 174.13 1o1u s GLN 41 N -0.57 0.71 0.67 2.72 -0.21 -1.14 -1.23 119.66 120.61 1o1u s GLN 41 Ca -0.06 -1.61 -0.17 0.00 0.02 0.00 0.00 55.36 53.54 1o1u s GLN 41 Cb -0.04 -1.40 0.00 0.00 1.00 0.00 0.00 33.01 32.57 1o1u s GLN 41 CO -0.00 -1.26 1.25 -1.14 -2.12 0.00 0.00 175.29 172.02 1o1u s GLN 42 N 0.72 2.47 -0.42 2.91 -0.44 -0.88 -2.96 119.66 121.05 1o1u s GLN 42 Ca 0.22 1.92 0.08 0.00 -2.50 0.00 0.00 55.36 55.08 1o1u s GLN 42 Cb -0.15 -1.85 0.26 0.00 -1.64 0.00 0.00 33.01 29.63 1o1u s GLN 42 CO -0.05 -1.62 0.70 -3.47 0.50 0.00 0.00 175.29 171.34 1o1u n ASP 43 N -2.14 -0.85 0.00 6.67 2.03 0.02 -4.87 116.55 117.41 1o1u n ASP 43 Ca 0.15 -2.98 0.00 0.00 0.52 0.00 0.00 54.79 52.48 1o1u n ASP 43 Cb 0.49 0.28 0.00 0.00 -0.72 0.00 0.00 41.12 41.17 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 1.29 0.22 0.38 0.27 0.00 -1.26 -2.58 105.19 103.51 1o1u n GLY 44 Ca 0.17 -0.93 0.26 0.00 0.00 0.00 0.00 46.02 45.52 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 0.30 -7.01 1.61 4.15 -1.98 -3.39 115.11 108.80 1o1u h GLN 45 Ca 0.00 -0.02 -0.47 0.00 0.77 0.00 0.00 58.65 58.93 1o1u h GLN 45 Cb 0.00 -0.07 0.01 0.00 0.21 0.00 0.00 27.48 27.63 1o1u h GLN 45 CO 0.00 0.20 0.38 0.34 -1.93 0.00 0.00 178.83 177.82 1o1u s ASP 46 N -4.93 6.76 0.30 -0.69 2.15 -1.06 -1.86 116.67 117.34 1o1u s ASP 46 Ca -0.09 1.90 0.08 0.00 0.43 0.00 0.00 52.55 54.86 1o1u s ASP 46 Cb 0.29 -2.57 -0.06 0.00 -0.30 0.00 0.00 42.92 40.28 1o1u s ASP 46 CO 0.80 -0.49 -0.07 -0.36 -0.17 0.00 0.00 175.17 174.88 1o1u s PHE 47 N -1.87 2.11 -0.44 -5.34 0.40 0.45 -0.80 117.98 112.48 1o1u s PHE 47 Ca 0.60 -0.62 0.07 0.00 -0.60 0.00 0.00 56.93 56.38 1o1u s PHE 47 Cb -0.17 -1.19 0.22 0.00 0.51 0.00 0.00 43.02 42.39 1o1u s PHE 47 CO 0.21 0.39 0.50 0.25 0.70 0.00 0.00 175.22 177.28 1o1u n THR 48 N -0.65 -0.34 -1.78 0.64 -2.24 -1.16 -3.35 114.28 105.41 1o1u n THR 48 Ca -0.05 -4.05 -0.30 0.00 -2.27 0.00 0.00 64.05 57.38 1o1u n THR 48 Cb 0.63 -1.91 0.06 0.00 -2.10 0.00 0.00 70.33 67.01 1o1u n THR 48 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 1o1u s TRP 49 N -1.03 3.19 0.04 4.78 -0.11 -1.21 -2.88 118.94 121.72 1o1u s TRP 49 Ca 0.35 1.10 -0.17 0.00 1.22 0.00 0.00 56.10 58.60 1o1u s TRP 49 Cb 0.12 -3.06 0.03 0.00 -1.50 0.00 0.00 33.47 29.06 1o1u s TRP 49 CO -0.13 -1.33 0.37 -1.12 -4.62 0.00 0.00 176.95 170.13 1o1u s SER 50 N -4.21 -0.23 -0.40 5.86 0.01 0.60 -3.22 113.70 112.12 1o1u s SER 50 Ca 0.59 -0.05 0.01 0.00 1.31 0.00 0.00 55.95 57.81 1o1u s SER 50 Cb -0.12 0.40 0.14 0.00 0.21 0.00 0.00 66.02 66.65 1o1u s SER 50 CO 0.53 -0.63 0.23 -1.10 0.41 0.00 0.00 173.24 172.67 1o1u s GLN 51 N -2.42 0.92 0.24 12.44 -0.21 -0.44 -1.93 119.66 128.26 1o1u s GLN 51 Ca -0.06 -1.69 -0.29 0.00 0.02 0.00 0.00 55.36 53.34 1o1u s GLN 51 Cb -0.01 -1.79 -0.09 0.00 1.00 0.00 0.00 33.01 32.12 1o1u s GLN 51 CO -0.02 -1.20 0.93 -1.01 -2.12 0.00 0.00 175.29 171.87 1o1u s HIS 52 N 0.68 3.96 -1.20 0.91 3.76 0.22 -2.56 115.29 121.05 1o1u s HIS 52 Ca 0.19 1.89 -0.08 0.00 -0.15 0.00 0.00 55.06 56.90 1o1u s HIS 52 Cb -0.22 -2.96 0.22 0.00 1.11 0.00 0.00 32.58 30.73 1o1u s HIS 52 CO -0.00 0.44 1.66 0.66 -0.85 0.00 0.00 174.74 176.64 1o1u n TYR 53 N 1.41 3.15 0.00 1.40 4.02 -1.07 -0.71 117.16 125.36 1o1u n TYR 53 Ca -0.02 -2.87 0.00 0.00 -0.01 0.00 0.00 57.90 55.00 1o1u n TYR 53 Cb 0.47 -1.76 0.00 0.00 -0.02 0.00 0.00 39.34 38.04 1o1u n TYR 53 CO 0.00 0.00 0.00 0.45 -1.01 0.00 0.00 176.86 176.30 1o1u n SER 54 N 3.26 0.00 -2.68 7.72 2.88 -1.26 -3.82 113.62 119.72 1o1u n SER 54 Ca 0.34 0.00 -0.05 0.00 -1.33 0.00 0.00 58.87 57.83 1o1u n SER 54 Cb 0.36 0.00 0.08 0.00 -0.75 0.00 0.00 64.21 63.90 1o1u n SER 54 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1o1u n GLY 55 N 0.00 -1.42 0.19 0.46 0.00 -1.26 -4.90 105.19 98.26 1o1u n GLY 55 Ca 0.00 0.84 0.00 0.00 0.00 0.00 0.00 46.02 46.86 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 1.40 -2.25 3.55 -0.02 0.00 -1.25 -4.99 105.19 101.62 1o1u n GLY 56 Ca 0.02 0.73 -0.37 0.00 0.00 0.00 0.00 46.02 46.40 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 -1.08 3.75 -2.47 1.61 -0.00 -1.26 -4.89 115.22 110.88 1o1u n HIS 57 Ca 0.00 -2.23 -0.41 0.00 -0.00 0.00 0.00 57.72 55.08 1o1u n HIS 57 Cb 0.00 -2.61 -0.03 0.00 -0.00 0.00 0.00 29.99 27.35 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 7.14 3.71 0.48 3.57 2.01 -1.26 -2.58 115.64 128.71 1o1u s THR 58 Ca 0.60 0.47 -0.15 0.00 0.31 0.00 0.00 61.69 62.92 1o1u s THR 58 Cb 0.03 -4.72 -0.07 0.00 0.01 0.00 0.00 72.50 67.74 1o1u s THR 58 CO 0.10 -1.61 0.92 -0.32 -0.69 0.00 0.00 174.62 173.02 1o1u s MET 59 N 5.80 3.90 0.03 4.92 0.00 -1.06 -4.96 119.30 127.93 1o1u s MET 59 Ca 0.42 0.80 -0.00 0.00 0.00 0.00 0.00 55.69 56.91 1o1u s MET 59 Cb -0.09 -2.22 -0.03 0.00 0.00 0.00 0.00 34.83 32.49 1o1u s MET 59 CO 0.18 -0.19 -0.03 0.99 0.00 0.00 0.00 175.02 175.97 1o1u s THR 60 N -2.54 0.16 -0.56 10.11 2.01 -1.26 -1.32 115.64 122.25 1o1u s THR 60 Ca 0.56 -1.30 0.06 0.00 0.31 0.00 0.00 61.69 61.32 1o1u s THR 60 Cb -0.10 -0.80 0.21 0.00 0.01 0.00 0.00 72.50 71.81 1o1u s THR 60 CO 0.31 -0.71 0.54 0.59 -0.69 0.00 0.00 174.62 174.65 1o1u n ASN 61 N 0.96 1.85 -4.78 3.53 4.13 -1.20 -4.61 115.26 115.14 1o1u n ASN 61 Ca -0.20 -2.98 -0.37 0.00 1.68 0.00 0.00 54.58 52.71 1o1u n ASN 61 Cb 0.58 -0.66 -0.03 0.00 -1.54 0.00 0.00 39.78 38.12 1o1u n ASN 61 CO 0.00 0.00 0.00 -0.75 0.28 0.00 0.00 177.26 176.79 1o1u s LYS 62 N -1.36 4.12 0.18 3.52 2.20 -1.26 -3.34 119.74 123.80 1o1u s LYS 62 Ca 0.33 1.63 -0.24 0.00 -0.36 0.00 0.00 55.97 57.34 1o1u s LYS 62 Cb 0.08 -2.60 0.05 0.00 -1.51 0.00 0.00 37.83 33.85 1o1u s LYS 62 CO -0.12 -0.20 0.78 -0.59 -0.36 0.00 0.00 175.35 174.85 1o1u s PHE 63 N -1.56 -0.28 -0.05 4.03 -0.12 -1.21 -4.80 117.98 113.99 1o1u s PHE 63 Ca 0.57 -0.04 0.04 0.00 -0.05 0.00 0.00 56.93 57.45 1o1u s PHE 63 Cb -0.25 0.63 -0.00 0.00 -0.63 0.00 0.00 43.02 42.77 1o1u s PHE 63 CO 0.32 -0.95 -0.18 0.99 -0.05 0.00 0.00 175.22 175.35 1o1u s THR 64 N -3.61 1.50 0.34 -4.49 2.01 -1.26 -0.41 115.64 109.71 1o1u s THR 64 Ca 0.08 -0.74 -0.10 0.00 0.31 0.00 0.00 61.69 61.24 1o1u s THR 64 Cb -0.03 -1.30 -0.07 0.00 0.01 0.00 0.00 72.50 71.12 1o1u s THR 64 CO -0.01 0.43 0.68 0.68 -0.69 0.00 0.00 174.62 175.71 1o1u s VAL 65 N 0.12 4.84 -2.11 3.82 -7.23 -0.78 -2.20 120.40 116.87 1o1u s VAL 65 Ca -0.06 0.52 0.00 0.00 -1.81 0.00 0.00 61.98 60.63 1o1u s VAL 65 Cb -0.13 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.12 1o1u s VAL 65 CO 0.03 -0.34 0.00 0.61 -0.31 0.00 0.00 175.10 175.09 1o1u n GLY 66 N -0.86 1.47 2.00 2.32 0.00 0.93 -4.75 105.19 106.30 1o1u n GLY 66 Ca 0.01 -0.02 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 -2.52 0.00 0.00 1.61 4.81 -1.20 -5.08 118.16 115.78 1o1u n LYS 67 Ca -0.21 0.00 0.00 0.00 -0.87 0.00 0.00 58.31 57.23 1o1u n LYS 67 Cb 0.68 0.00 0.00 0.00 0.02 0.00 0.00 35.03 35.73 1o1u n LYS 67 CO 0.00 0.00 0.00 -0.85 1.17 0.00 0.00 177.40 177.72 1o1u n GLU 68 N -3.13 0.00 -3.84 1.64 0.28 -0.93 -4.93 120.64 109.73 1o1u n GLU 68 Ca 0.00 0.00 -0.08 0.00 -0.16 0.00 0.00 57.16 56.92 1o1u n GLU 68 Cb 0.00 0.00 -0.03 0.00 1.43 0.00 0.00 31.44 32.84 1o1u n GLU 68 CO 0.00 0.00 0.00 -1.12 -0.16 0.00 0.00 177.13 175.85 1o1u s SER 69 N 0.00 -0.24 -1.08 -1.84 0.01 -1.19 -4.58 113.70 104.78 1o1u s SER 69 Ca 0.00 -0.62 -0.22 0.00 1.31 0.00 0.00 55.95 56.42 1o1u s SER 69 Cb 0.00 0.65 0.05 0.00 0.21 0.00 0.00 66.02 66.93 1o1u s SER 69 CO 0.00 -1.20 1.53 0.20 0.41 0.00 0.00 173.24 174.18 1o1u s ASN 70 N -2.92 6.53 0.23 2.44 0.01 -1.26 -2.82 114.94 117.15 1o1u s ASN 70 Ca 0.13 -1.66 -0.23 0.00 -0.71 0.00 0.00 52.86 50.39 1o1u s ASN 70 Cb -0.03 -2.57 -0.09 0.00 0.41 0.00 0.00 41.25 38.97 1o1u s ASN 70 CO 0.04 -1.48 0.80 -0.63 -1.51 0.00 0.00 177.10 174.32 1o1u s ILE 71 N 4.99 4.40 -0.97 0.60 1.01 0.78 -4.67 121.20 127.34 1o1u s ILE 71 Ca 0.49 1.57 -0.01 0.00 0.00 0.00 0.00 60.65 62.69 1o1u s ILE 71 Cb 0.01 -3.99 0.33 0.00 0.01 0.00 0.00 42.46 38.81 1o1u s ILE 71 CO -0.06 0.29 1.91 0.00 0.00 0.00 0.00 174.94 177.08 1o1u n GLN 72 N 0.97 4.50 -0.82 2.79 10.64 -1.26 -0.81 117.38 133.39 1o1u n GLN 72 Ca -0.02 -4.25 -0.34 0.00 -1.83 0.00 0.00 57.00 50.55 1o1u n GLN 72 Cb 0.50 -2.40 0.11 0.00 -0.86 0.00 0.00 30.24 27.59 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 -0.22 0.00 -1.51 -0.39 5.66 -1.26 -4.82 114.28 111.74 1o1u n THR 73 Ca 0.50 -0.26 -0.45 0.00 -3.05 0.00 0.00 64.05 60.79 1o1u n THR 73 Cb 0.25 -0.45 -0.01 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 -0.69 0.83 -2.11 1.09 2.81 -1.26 -4.82 117.12 112.96 1o1u n MET 74 Ca 0.03 0.29 0.00 0.00 -1.81 0.00 0.00 57.70 56.21 1o1u n MET 74 Cb 0.58 -1.54 0.00 0.00 -0.71 0.00 0.00 33.22 31.55 1o1u n MET 74 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1o1u n GLY 75 N 1.54 -0.49 1.10 3.03 0.00 -1.26 -4.94 105.19 104.17 1o1u n GLY 75 Ca 0.12 -1.57 -0.00 0.00 0.00 0.00 0.00 46.02 44.57 1o1u n GLY 75 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1o1u n GLY 76 N -0.41 4.55 3.82 -0.02 0.00 -1.26 -5.04 105.19 106.83 1o1u n GLY 76 Ca 0.00 -1.15 -0.06 0.00 0.00 0.00 0.00 46.02 44.81 1o1u n GLY 76 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o1u s LYS 77 N -3.09 1.71 0.50 1.61 -2.85 -1.26 -5.16 119.74 111.20 1o1u s LYS 77 Ca 0.44 -1.01 -0.08 0.00 -1.00 0.00 0.00 55.97 54.31 1o1u s LYS 77 Cb 0.38 0.53 -0.05 0.00 -2.06 0.00 0.00 37.83 36.64 1o1u s LYS 77 CO 0.04 -0.79 0.85 -0.08 0.10 0.00 0.00 175.35 175.47 1o1u s THR 78 N -3.10 4.81 0.36 3.79 -1.32 -1.26 -4.71 115.64 114.20 1o1u s THR 78 Ca 0.14 0.52 0.05 0.00 -1.21 0.00 0.00 61.69 61.19 1o1u s THR 78 Cb -0.04 -3.83 -0.03 0.00 -1.51 0.00 0.00 72.50 67.09 1o1u s THR 78 CO 0.07 -0.84 0.19 -0.36 -2.21 0.00 0.00 174.62 171.47 1o1u s PHE 79 N -2.76 1.73 0.02 9.09 0.40 0.01 -5.00 117.98 121.47 1o1u s PHE 79 Ca 0.51 -1.45 0.05 0.00 -0.60 0.00 0.00 56.93 55.43 1o1u s PHE 79 Cb -0.10 -0.92 -0.02 0.00 0.51 0.00 0.00 43.02 42.49 1o1u s PHE 79 CO 0.43 -0.57 -0.15 0.21 0.70 0.00 0.00 175.22 175.84 1o1u s LYS 80 N -3.63 1.09 -0.19 0.44 2.20 -1.26 -0.16 119.74 118.22 1o1u s LYS 80 Ca 0.33 -0.66 -0.28 0.00 -0.36 0.00 0.00 55.97 55.00 1o1u s LYS 80 Cb 0.03 -1.09 0.09 0.00 -1.51 0.00 0.00 37.83 35.35 1o1u s LYS 80 CO 0.20 0.29 0.84 0.00 -0.36 0.00 0.00 175.35 176.32 1o1u s ALA 81 N -0.59 -1.85 -0.46 3.13 0.00 -1.13 -4.40 121.76 116.46 1o1u s ALA 81 Ca 0.04 1.72 -0.18 0.00 0.00 0.00 0.00 51.96 53.54 1o1u s ALA 81 Cb -0.07 -0.84 0.04 0.00 0.00 0.00 0.00 23.12 22.25 1o1u s ALA 81 CO 0.00 -0.32 0.52 0.99 0.00 0.00 0.00 175.76 176.96 1o1u s THR 82 N -0.36 5.00 0.39 0.00 2.01 -1.09 -3.17 115.64 118.42 1o1u s THR 82 Ca -0.02 -0.41 -0.23 0.00 0.31 0.00 0.00 61.69 61.33 1o1u s THR 82 Cb -0.03 -4.16 -0.10 0.00 0.01 0.00 0.00 72.50 68.23 1o1u s THR 82 CO 0.02 -0.59 0.99 -0.69 -0.69 0.00 0.00 174.62 173.65 1o1u s VAL 83 N 2.34 4.07 0.29 3.82 1.01 -1.26 -3.43 120.40 127.23 1o1u s VAL 83 Ca 0.14 1.50 0.05 0.00 0.00 0.00 0.00 61.98 63.67 1o1u s VAL 83 Cb -0.18 -3.73 -0.02 0.00 0.00 0.00 0.00 36.38 32.45 1o1u s VAL 83 CO 0.13 -0.07 0.20 0.00 0.00 0.00 0.00 175.10 175.35 1o1u n GLN 84 N -0.15 0.43 -3.62 2.72 6.02 0.13 -0.05 117.38 122.86 1o1u n GLN 84 Ca 0.05 -2.74 -0.16 0.00 -0.01 0.00 0.00 57.00 54.14 1o1u n GLN 84 Cb 0.51 2.01 -0.07 0.00 1.02 0.00 0.00 30.24 33.71 1o1u n GLN 84 CO 0.00 0.00 0.00 1.41 -1.01 0.00 0.00 177.06 177.46 1o1u s MET 85 N -3.15 0.89 0.18 -1.09 1.75 -1.26 -1.07 119.30 115.53 1o1u s MET 85 Ca 0.28 0.10 -0.13 0.00 -1.25 0.00 0.00 55.69 54.68 1o1u s MET 85 Cb 0.01 0.41 0.01 0.00 2.84 0.00 0.00 34.83 38.10 1o1u s MET 85 CO 0.20 -0.26 0.40 -1.83 -0.65 0.00 0.00 175.02 172.87 1o1u s GLU 86 N -1.18 1.25 -0.80 4.11 4.04 -0.50 -4.94 118.70 120.68 1o1u s GLU 86 Ca -0.12 -1.01 -0.26 0.00 0.04 0.00 0.00 54.97 53.63 1o1u s GLU 86 Cb -0.02 0.45 -0.12 0.00 0.02 0.00 0.00 34.13 34.46 1o1u s GLU 86 CO 0.07 -0.49 2.32 0.20 -1.84 0.00 0.00 175.26 175.52 1o1u s GLY 87 N -2.91 -0.62 0.00 -3.83 0.00 -1.26 -1.86 107.32 96.84 1o1u s GLY 87 Ca 0.13 -0.91 0.00 0.00 0.00 0.00 0.00 44.72 43.94 1o1u s GLY 87 CO -0.02 4.08 0.00 0.61 0.00 0.00 0.00 173.10 177.77 1o1u n GLY 88 N 6.79 4.53 3.85 0.20 0.00 -1.26 -5.13 105.19 114.17 1o1u n GLY 88 Ca 0.45 -0.73 -0.07 0.00 0.00 0.00 0.00 46.02 45.67 1o1u n GLY 88 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1o1u s LYS 89 N 0.00 1.81 0.12 1.61 -2.85 -0.78 -4.39 119.74 115.26 1o1u s LYS 89 Ca 0.00 -1.02 0.03 0.00 -1.00 0.00 0.00 55.97 53.98 1o1u s LYS 89 Cb 0.00 0.61 -0.04 0.00 -2.06 0.00 0.00 37.83 36.34 1o1u s LYS 89 CO 0.00 -0.83 0.18 -1.17 0.10 0.00 0.00 175.35 173.64 1o1u s LEU 90 N -2.93 4.08 0.03 2.77 2.96 0.35 -1.41 118.68 124.53 1o1u s LEU 90 Ca 0.11 0.07 0.04 0.00 -0.22 0.00 0.00 54.13 54.13 1o1u s LEU 90 Cb -0.06 -2.69 -0.02 0.00 0.50 0.00 0.00 46.19 43.92 1o1u s LEU 90 CO 0.07 0.11 -0.11 -0.69 -1.32 0.00 0.00 176.35 174.41 1o1u s VAL 91 N -1.62 0.87 0.09 1.68 1.01 -0.24 -1.98 120.40 120.21 1o1u s VAL 91 Ca 0.33 -0.91 -0.19 0.00 0.00 0.00 0.00 61.98 61.20 1o1u s VAL 91 Cb -0.11 -0.81 0.05 0.00 0.00 0.00 0.00 36.38 35.50 1o1u s VAL 91 CO 0.26 -0.08 0.47 0.54 0.00 0.00 0.00 175.10 176.29 1o1u s VAL 92 N -0.88 0.04 -0.06 2.92 0.11 0.02 0.19 120.40 122.74 1o1u s VAL 92 Ca -0.01 -0.37 -0.11 0.00 -2.93 0.00 0.00 61.98 58.56 1o1u s VAL 92 Cb -0.08 -1.05 0.02 0.00 -1.53 0.00 0.00 36.38 33.75 1o1u s VAL 92 CO 0.01 -0.20 0.27 0.54 -3.33 0.00 0.00 175.10 172.38 1o1u s ASN 93 N -2.40 -0.22 0.31 3.54 2.20 -1.22 -2.19 114.94 114.95 1o1u s ASN 93 Ca -0.01 0.32 0.07 0.00 -0.94 0.00 0.00 52.86 52.30 1o1u s ASN 93 Cb 0.00 0.45 -0.06 0.00 -2.00 0.00 0.00 41.25 39.64 1o1u s ASN 93 CO -0.07 -0.23 -0.05 -0.36 -2.94 0.00 0.00 177.10 173.45 1o1u s PHE 94 N -0.48 2.07 -1.19 1.54 0.40 -0.91 -2.68 117.98 116.74 1o1u s PHE 94 Ca -0.06 -0.70 -0.08 0.00 -0.60 0.00 0.00 56.93 55.49 1o1u s PHE 94 Cb -0.04 -1.23 -0.10 0.00 0.51 0.00 0.00 43.02 42.16 1o1u s PHE 94 CO 0.02 0.31 2.80 -0.35 0.70 0.00 0.00 175.22 178.70 1o1u n PRO 95 N -0.66 2.99 0.00 0.24 -0.04 -1.26 -4.18 135.00 132.09 1o1u n PRO 95 Ca -0.05 -1.80 0.00 0.00 -0.04 0.00 0.00 63.50 61.61 1o1u n PRO 95 Cb 0.64 -2.57 0.00 0.00 -0.04 0.00 0.00 33.50 31.53 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 3.56 0.00 -4.48 3.54 4.13 -1.26 -5.15 115.26 115.60 1o1u n ASN 96 Ca 0.64 0.00 -0.25 0.00 1.68 0.00 0.00 54.58 56.64 1o1u n ASN 96 Cb 0.30 0.10 -0.02 0.00 -1.54 0.00 0.00 39.78 38.62 1o1u n ASN 96 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1o1u n TYR 97 N -1.36 -0.06 -4.07 3.10 4.11 -1.26 -4.77 117.16 112.85 1o1u n TYR 97 Ca 0.00 -2.14 -0.08 0.00 -0.00 0.00 0.00 57.90 55.68 1o1u n TYR 97 Cb 0.00 -0.37 -0.10 0.00 -0.00 0.00 0.00 39.34 38.87 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 -2.51 0.52 0.03 -3.48 2.46 0.99 -2.14 115.29 111.16 1o1u s HIS 98 Ca 0.18 -0.91 -0.24 0.00 0.47 0.00 0.00 55.06 54.56 1o1u s HIS 98 Cb -0.01 -0.36 0.06 0.00 -0.13 0.00 0.00 32.58 32.13 1o1u s HIS 98 CO 0.11 -0.30 0.55 -1.14 -2.47 0.00 0.00 174.74 171.49 1o1u s GLN 99 N -3.27 1.03 -0.25 2.88 -0.44 -0.93 0.10 119.66 118.78 1o1u s GLN 99 Ca 0.02 -0.13 -0.04 0.00 -2.50 0.00 0.00 55.36 52.71 1o1u s GLN 99 Cb 0.03 0.47 0.09 0.00 -1.64 0.00 0.00 33.01 31.97 1o1u s GLN 99 CO -0.07 -0.36 0.15 0.95 0.50 0.00 0.00 175.29 176.45 1o1u s THR 100 N -2.14 -0.14 0.71 -0.34 -4.23 -1.11 -0.80 115.64 107.59 1o1u s THR 100 Ca -0.07 -0.51 -0.11 0.00 -1.18 0.00 0.00 61.69 59.82 1o1u s THR 100 Cb -0.01 -0.84 0.02 0.00 1.34 0.00 0.00 72.50 73.01 1o1u s THR 100 CO 0.01 -0.53 1.08 -0.44 -0.54 0.00 0.00 174.62 174.20 1o1u s SER 101 N 2.16 5.36 -0.30 3.99 0.01 -0.84 -2.69 113.70 121.39 1o1u s SER 101 Ca 0.07 1.30 -0.08 0.00 1.31 0.00 0.00 55.95 58.55 1o1u s SER 101 Cb -0.16 -2.15 0.15 0.00 0.21 0.00 0.00 66.02 64.07 1o1u s SER 101 CO -0.27 -1.42 0.65 -0.70 0.41 0.00 0.00 173.24 171.92 1o1u s GLU 102 N -5.23 0.56 0.27 12.44 2.12 0.21 -0.50 118.70 128.57 1o1u s GLU 102 Ca 0.58 1.31 -0.11 0.00 0.36 0.00 0.00 54.97 57.11 1o1u s GLU 102 Cb -0.12 0.77 -0.08 0.00 0.26 0.00 0.00 34.13 34.97 1o1u s GLU 102 CO 0.53 -0.31 0.61 0.42 -0.54 0.00 0.00 175.26 175.97 1o1u s ILE 103 N 2.88 4.86 -0.41 -3.70 -1.09 -1.26 -1.01 121.20 121.46 1o1u s ILE 103 Ca 0.01 0.58 0.06 0.00 -2.23 0.00 0.00 60.65 59.07 1o1u s ILE 103 Cb -0.13 -3.63 0.21 0.00 -1.58 0.00 0.00 42.46 37.33 1o1u s ILE 103 CO -0.19 -0.14 0.43 0.52 -1.23 0.00 0.00 174.94 174.33 1o1u n VAL 104 N -0.30 -0.85 0.00 2.92 0.31 -0.21 -4.94 118.33 115.26 1o1u n VAL 104 Ca 0.01 -3.75 0.00 0.00 -0.01 0.00 0.00 64.34 60.59 1o1u n VAL 104 Cb 0.53 -1.81 0.00 0.00 -0.91 0.00 0.00 33.84 31.65 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 2.16 1.84 2.24 2.92 0.00 -1.26 -3.61 105.19 109.47 1o1u n GLY 105 Ca 0.26 0.20 -0.20 0.00 0.00 0.00 0.00 46.02 46.27 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 4.33 0.92 -3.64 1.61 8.00 -1.26 -5.01 116.55 121.50 1o1u n ASP 106 Ca 0.00 -2.97 -0.05 0.00 0.71 0.00 0.00 54.79 52.48 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 -2.14 0.31 -0.10 -1.24 2.20 -1.24 -3.70 119.74 113.83 1o1u s LYS 107 Ca 0.39 0.40 0.00 0.00 -0.36 0.00 0.00 55.97 56.41 1o1u s LYS 107 Cb 0.29 0.13 -0.02 0.00 -1.51 0.00 0.00 37.83 36.72 1o1u s LYS 107 CO -0.09 -0.04 -0.10 -1.17 -0.36 0.00 0.00 175.35 173.59 1o1u s LEU 108 N 0.41 2.96 0.11 5.43 2.96 0.15 -1.05 118.68 129.66 1o1u s LEU 108 Ca 0.02 -0.17 0.02 0.00 -0.22 0.00 0.00 54.13 53.77 1o1u s LEU 108 Cb -0.05 -1.66 -0.04 0.00 0.50 0.00 0.00 46.19 44.94 1o1u s LEU 108 CO -0.11 0.26 -0.06 0.68 -1.32 0.00 0.00 176.35 175.80 1o1u s VAL 109 N -0.18 0.73 0.16 1.68 -7.23 -0.18 0.38 120.40 115.76 1o1u s VAL 109 Ca 0.01 -1.95 -0.01 0.00 -1.81 0.00 0.00 61.98 58.22 1o1u s VAL 109 Cb -0.13 -1.75 -0.04 0.00 0.56 0.00 0.00 36.38 35.02 1o1u s VAL 109 CO 0.03 -0.81 0.09 -1.61 -0.31 0.00 0.00 175.10 172.49 1o1u s GLU 110 N -3.84 1.05 -0.31 4.82 2.02 -0.96 -0.62 118.70 120.86 1o1u s GLU 110 Ca 0.14 -1.52 -0.02 0.00 0.02 0.00 0.00 54.97 53.59 1o1u s GLU 110 Cb 0.05 0.26 0.11 0.00 0.10 0.00 0.00 34.13 34.65 1o1u s GLU 110 CO -0.03 -0.32 0.15 0.08 0.02 0.00 0.00 175.26 175.16 1o1u s VAL 111 N -4.09 0.10 0.85 2.63 1.01 -1.10 -2.10 120.40 117.70 1o1u s VAL 111 Ca 0.30 -1.14 -0.12 0.00 0.00 0.00 0.00 61.98 61.02 1o1u s VAL 111 Cb 0.07 -1.10 0.10 0.00 0.00 0.00 0.00 36.38 35.46 1o1u s VAL 111 CO 0.06 -0.81 1.17 -0.44 0.00 0.00 0.00 175.10 175.08 1o1u s SER 112 N 1.71 4.11 -0.12 3.32 0.01 -0.77 -2.75 113.70 119.20 1o1u s SER 112 Ca 0.12 0.84 -0.29 0.00 1.31 0.00 0.00 55.95 57.93 1o1u s SER 112 Cb -0.18 -1.36 0.08 0.00 0.21 0.00 0.00 66.02 64.77 1o1u s SER 112 CO -0.24 -2.16 0.75 -0.89 0.41 0.00 0.00 173.24 171.11 1o1u s THR 113 N -3.47 0.00 -0.49 1.44 2.01 0.12 -2.68 115.64 112.56 1o1u s THR 113 Ca 0.63 0.00 0.06 0.00 0.31 0.00 0.00 61.69 62.69 1o1u s THR 113 Cb -0.12 -1.00 0.22 0.00 0.01 0.00 0.00 72.50 71.60 1o1u s THR 113 CO 0.51 0.00 0.79 0.00 -0.69 0.00 0.00 174.62 175.22 1o1u n ILE 114 N 1.28 -0.08 -1.74 1.82 3.06 -0.32 -0.01 119.36 123.38 1o1u n ILE 114 Ca -0.17 -1.48 -0.19 0.00 -2.50 0.00 0.00 62.75 58.42 1o1u n ILE 114 Cb 0.57 1.02 -0.07 0.00 0.54 0.00 0.00 39.64 41.71 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 2.21 1.34 0.00 4.50 0.00 -1.26 -3.74 105.19 108.24 1o1u n GLY 115 Ca 0.14 -0.10 0.00 0.00 0.00 0.00 0.00 46.02 46.06 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 -0.71 2.71 3.88 -0.02 0.00 -1.26 -5.13 105.19 104.66 1o1u n GLY 116 Ca -0.20 -0.35 -0.30 0.00 0.00 0.00 0.00 46.02 45.17 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 0.00 4.90 0.25 1.61 1.01 -1.25 -5.10 120.40 121.82 1o1u s VAL 117 Ca 0.00 0.39 0.05 0.00 0.00 0.00 0.00 61.98 62.42 1o1u s VAL 117 Cb 0.00 -3.70 -0.05 0.00 0.00 0.00 0.00 36.38 32.62 1o1u s VAL 117 CO 0.00 -0.34 -0.04 -0.89 0.00 0.00 0.00 175.10 173.83 1o1u s THR 118 N -2.14 1.34 -0.35 3.92 2.01 -1.26 -1.18 115.64 117.99 1o1u s THR 118 Ca 0.48 -2.08 -0.00 0.00 0.31 0.00 0.00 61.69 60.39 1o1u s THR 118 Cb -0.11 -2.37 0.13 0.00 0.01 0.00 0.00 72.50 70.17 1o1u s THR 118 CO 0.28 -0.34 0.20 -0.47 -0.69 0.00 0.00 174.62 173.60 1o1u s TYR 119 N -3.21 0.72 0.52 4.92 5.04 -1.09 -4.48 117.35 119.77 1o1u s TYR 119 Ca 0.28 -1.56 -0.03 0.00 -2.44 0.00 0.00 57.07 53.32 1o1u s TYR 119 Cb 0.04 -0.96 0.00 0.00 0.35 0.00 0.00 41.96 41.40 1o1u s TYR 119 CO 0.10 -0.83 0.79 -1.83 -1.34 0.00 0.00 175.55 172.44 1o1u s GLU 120 N 1.18 3.02 0.20 4.97 -1.05 -1.02 -1.84 118.70 124.15 1o1u s GLU 120 Ca 0.17 -0.21 -0.23 0.00 -0.15 0.00 0.00 54.97 54.55 1o1u s GLU 120 Cb -0.22 -2.41 0.05 0.00 -0.44 0.00 0.00 34.13 31.11 1o1u s GLU 120 CO -0.04 -0.48 0.73 -0.98 0.95 0.00 0.00 175.26 175.44 1o1u s ARG 121 N -4.78 1.45 -0.44 -4.83 1.70 -0.89 -2.08 118.95 109.08 1o1u s ARG 121 Ca 0.51 -0.72 0.03 0.00 -0.47 0.00 0.00 55.73 55.09 1o1u s ARG 121 Cb -0.10 0.55 0.16 0.00 -0.57 0.00 0.00 34.95 34.99 1o1u s ARG 121 CO 0.42 -0.66 0.34 0.08 -1.08 0.00 0.00 175.30 174.40 1o1u s VAL 122 N -3.70 0.74 -0.79 4.99 1.01 -1.26 -2.26 120.40 119.13 1o1u s VAL 122 Ca 0.08 -2.73 -0.26 0.00 0.00 0.00 0.00 61.98 59.06 1o1u s VAL 122 Cb -0.03 -1.52 0.03 0.00 0.00 0.00 0.00 36.38 34.86 1o1u s VAL 122 CO -0.01 -1.14 1.34 -0.44 0.00 0.00 0.00 175.10 174.85 1o1u s SER 123 N 0.02 6.18 1.18 3.32 0.01 0.16 -1.42 113.70 123.14 1o1u s SER 123 Ca 0.28 -0.61 -0.13 0.00 1.31 0.00 0.00 55.95 56.80 1o1u s SER 123 Cb -0.03 -2.56 0.29 0.00 0.21 0.00 0.00 66.02 63.93 1o1u s SER 123 CO -0.15 -1.81 1.02 -0.54 0.41 0.00 0.00 173.24 172.17 1o1u s LYS 124 N 5.66 -1.05 -0.89 12.44 -0.14 -0.81 -0.67 119.74 134.28 1o1u s LYS 124 Ca 0.39 0.72 -0.06 0.00 -1.36 0.00 0.00 55.97 55.66 1o1u s LYS 124 Cb -0.07 -1.55 0.22 0.00 -1.68 0.00 0.00 37.83 34.76 1o1u s LYS 124 CO 0.10 -3.78 0.80 0.50 -0.76 0.00 0.00 175.35 172.21 1o1u s ARG 125 N -4.54 3.45 0.00 1.68 3.00 -1.24 -1.61 118.95 119.69 1o1u s ARG 125 Ca 0.68 -2.97 0.00 0.00 -1.00 0.00 0.00 55.73 52.44 1o1u s ARG 125 Cb -0.24 -4.16 0.00 0.00 0.00 0.00 0.00 34.95 30.55 1o1u s ARG 125 CO 0.64 -1.25 0.00 1.47 0.00 0.00 0.00 175.30 176.16 1o1u n LEU 126 N 2.95 0.00 0.00 -0.88 -0.00 -1.20 -4.93 117.00 112.94 1o1u n LEU 126 Ca 0.18 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.19 1o1u n LEU 126 Cb 0.40 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.82 1o1u n LEU 126 CO 0.38 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.77