#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 -2.22 -3.34 0.00 3.72 -1.26 -4.51 117.46 109.86 1o1u n PHE 2 Ca 0.00 0.68 0.01 0.00 -0.05 0.00 0.00 57.45 58.08 1o1u n PHE 2 Cb 0.00 -3.83 -0.03 0.00 -0.94 0.00 0.00 39.48 34.69 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 -3.42 -0.95 0.00 4.37 2.01 -1.26 -1.63 115.64 114.76 1o1u s THR 3 Ca 0.46 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.47 1o1u s THR 3 Cb -0.11 -0.97 0.00 0.00 0.01 0.00 0.00 72.50 71.44 1o1u s THR 3 CO 0.79 -0.01 0.00 0.61 -0.69 0.00 0.00 174.62 175.33 1o1u n GLY 4 N 5.43 0.31 3.85 4.40 0.00 -0.72 -4.95 105.19 113.50 1o1u n GLY 4 Ca -0.05 -1.43 -0.34 0.00 0.00 0.00 0.00 46.02 44.20 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 -1.81 3.96 0.26 1.61 2.20 -1.26 -1.40 119.74 123.30 1o1u s LYS 5 Ca 0.00 0.51 -0.04 0.00 -0.36 0.00 0.00 55.97 56.08 1o1u s LYS 5 Cb 0.00 -2.72 -0.02 0.00 -1.51 0.00 0.00 37.83 33.58 1o1u s LYS 5 CO 0.00 0.34 0.33 -0.06 -0.36 0.00 0.00 175.35 175.60 1o1u s PHE 6 N -1.70 0.98 -0.20 4.03 0.40 0.32 -3.37 117.98 118.44 1o1u s PHE 6 Ca 0.45 -1.21 -0.22 0.00 -0.60 0.00 0.00 56.93 55.36 1o1u s PHE 6 Cb -0.13 -0.25 0.06 0.00 0.51 0.00 0.00 43.02 43.21 1o1u s PHE 6 CO 0.20 -0.88 0.60 -1.83 0.70 0.00 0.00 175.22 174.00 1o1u s GLU 7 N -3.78 0.74 -0.46 0.44 -1.05 -0.80 -0.45 118.70 113.36 1o1u s GLU 7 Ca 0.33 0.74 -0.28 0.00 -0.15 0.00 0.00 54.97 55.61 1o1u s GLU 7 Cb 0.03 0.36 -0.02 0.00 -0.44 0.00 0.00 34.13 34.06 1o1u s GLU 7 CO 0.15 -0.11 1.82 1.41 0.95 0.00 0.00 175.26 179.47 1o1u s MET 8 N 0.09 3.02 0.02 -4.83 -2.45 -0.34 -2.38 119.30 112.43 1o1u s MET 8 Ca -0.02 1.06 -0.09 0.00 -1.25 0.00 0.00 55.69 55.39 1o1u s MET 8 Cb -0.04 -4.28 -0.31 0.00 1.25 0.00 0.00 34.83 31.45 1o1u s MET 8 CO 0.02 -2.25 0.95 1.05 1.05 0.00 0.00 175.02 175.84 1o1u h GLU 9 N 13.82 0.39 -3.41 4.11 4.11 -1.91 -3.40 114.58 128.30 1o1u h GLU 9 Ca -0.30 -0.66 -0.05 0.00 0.07 0.00 0.00 59.36 58.42 1o1u h GLU 9 Cb 1.17 0.25 -0.06 0.00 0.50 0.00 0.00 28.75 30.61 1o1u h GLU 9 CO 1.12 1.30 0.05 -1.12 0.07 0.00 0.00 179.01 180.42 1o1u s SER 10 N -7.30 0.05 0.25 3.06 0.01 -1.26 -5.01 113.70 103.51 1o1u s SER 10 Ca -0.09 -0.99 -0.01 0.00 1.31 0.00 0.00 55.95 56.17 1o1u s SER 10 Cb 0.06 0.70 -0.03 0.00 0.21 0.00 0.00 66.02 66.95 1o1u s SER 10 CO 0.90 -1.35 0.23 -1.61 0.41 0.00 0.00 173.24 171.82 1o1u s GLU 11 N -3.43 1.42 0.00 12.44 2.02 -1.26 -3.64 118.70 126.25 1o1u s GLU 11 Ca 0.19 -1.69 0.00 0.00 0.02 0.00 0.00 54.97 53.50 1o1u s GLU 11 Cb -0.03 0.32 0.00 0.00 0.10 0.00 0.00 34.13 34.52 1o1u s GLU 11 CO 0.11 -0.51 0.00 1.17 0.02 0.00 0.00 175.26 176.05 1o1u n LYS 12 N -0.39 0.00 -0.56 1.61 4.81 -1.00 -4.90 118.16 117.73 1o1u n LYS 12 Ca 0.03 0.00 0.07 0.00 -0.87 0.00 0.00 58.31 57.54 1o1u n LYS 12 Cb 0.64 -0.02 0.28 0.00 0.02 0.00 0.00 35.03 35.96 1o1u n LYS 12 CO 0.00 0.00 0.00 -1.71 1.17 0.00 0.00 177.40 176.86 1o1u n ASN 13 N -1.81 4.16 -0.30 3.14 2.85 -1.26 -4.75 115.26 117.29 1o1u n ASN 13 Ca 0.00 -3.05 0.14 0.00 -0.11 0.00 0.00 54.58 51.56 1o1u n ASN 13 Cb 0.00 -0.58 0.30 0.00 1.24 0.00 0.00 39.78 40.73 1o1u n ASN 13 CO 0.00 0.00 0.00 0.22 -2.11 0.00 0.00 177.26 175.37 1o1u h TYR 14 N 2.15 0.31 0.23 1.20 3.20 -1.87 -1.55 116.97 120.65 1o1u h TYR 14 Ca 0.02 0.05 0.00 0.00 3.14 0.00 0.00 58.73 61.95 1o1u h TYR 14 Cb 1.58 0.01 -0.02 0.00 1.54 0.00 0.00 36.73 39.84 1o1u h TYR 14 CO 0.65 -0.25 -0.24 0.22 -1.64 0.00 0.00 178.16 176.90 1o1u h ASP 15 N 0.17 -0.64 0.07 -2.11 1.82 -1.98 0.10 116.42 113.85 1o1u h ASP 15 Ca 0.56 0.06 -0.00 0.00 -0.39 0.00 0.00 57.03 57.26 1o1u h ASP 15 Cb 1.15 0.22 0.00 0.00 0.68 0.00 0.00 39.33 41.39 1o1u h ASP 15 CO -0.69 -0.35 -0.03 -0.33 -1.61 0.00 0.00 179.24 176.23 1o1u h GLU 16 N -0.51 -0.09 -1.03 0.28 5.08 -1.84 -1.39 114.58 115.08 1o1u h GLU 16 Ca -0.00 0.01 0.34 0.00 -1.00 0.00 0.00 59.36 58.70 1o1u h GLU 16 Cb 0.47 0.02 -0.15 0.00 0.50 0.00 0.00 28.75 29.60 1o1u h GLU 16 CO -0.06 0.35 0.59 0.35 -1.00 0.00 0.00 179.01 179.24 1o1u h PHE 17 N -0.56 0.88 -0.05 4.33 3.57 -1.21 0.72 116.94 124.63 1o1u h PHE 17 Ca -0.01 0.04 -0.01 0.00 3.53 0.00 0.00 57.97 61.52 1o1u h PHE 17 Cb 0.48 -0.23 -0.00 0.00 2.79 0.00 0.00 35.95 38.99 1o1u h PHE 17 CO 0.08 -0.20 -0.01 0.52 -2.23 0.00 0.00 178.31 176.46 1o1u h MET 18 N 0.27 0.09 -0.22 1.11 2.86 -0.70 -2.17 114.93 116.17 1o1u h MET 18 Ca 0.75 -0.03 0.06 0.00 -2.06 0.00 0.00 59.70 58.42 1o1u h MET 18 Cb 1.80 -0.01 -0.01 0.00 0.06 0.00 0.00 31.60 33.45 1o1u h MET 18 CO -0.60 0.43 0.24 1.57 1.06 0.00 0.00 176.91 179.61 1o1u h LYS 19 N -0.25 0.00 0.01 1.72 5.09 0.15 0.29 116.57 123.59 1o1u h LYS 19 Ca 0.01 0.00 -0.00 0.00 0.09 0.00 0.00 60.65 60.75 1o1u h LYS 19 Cb 0.39 0.00 0.00 0.00 0.10 0.00 0.00 32.23 32.72 1o1u h LYS 19 CO 0.00 0.00 -0.00 -0.07 -2.09 0.00 0.00 179.45 177.29 1o1u h LEU 20 N 0.00 -0.01 -0.49 7.07 4.07 -0.98 -3.32 115.31 121.65 1o1u h LEU 20 Ca 0.10 -0.78 0.07 0.00 0.08 0.00 0.00 57.88 57.35 1o1u h LEU 20 Cb 0.58 0.00 -0.06 0.00 1.08 0.00 0.00 40.66 42.27 1o1u h LEU 20 CO -0.00 0.80 0.15 -0.07 -1.08 0.00 0.00 178.44 178.23 1o1u h LEU 21 N -0.84 0.12 0.00 1.67 3.38 -0.22 -3.47 115.31 115.95 1o1u h LEU 21 Ca -0.00 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.04 1o1u h LEU 21 Cb 0.79 0.07 0.00 0.00 0.09 0.00 0.00 40.66 41.61 1o1u h LEU 21 CO 0.00 0.10 0.00 0.61 0.09 0.00 0.00 178.44 179.24 1o1u n GLY 22 N -1.27 0.84 3.87 0.83 0.00 0.79 -4.88 105.19 105.37 1o1u n GLY 22 Ca 0.05 -0.79 -0.24 0.00 0.00 0.00 0.00 46.02 45.04 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 -1.83 4.81 0.33 -0.61 -1.09 -1.24 -4.85 121.20 116.73 1o1u s ILE 23 Ca 0.00 -1.05 -0.28 0.00 -2.23 0.00 0.00 60.65 57.09 1o1u s ILE 23 Cb 0.00 -3.53 -0.09 0.00 -1.58 0.00 0.00 42.46 37.26 1o1u s ILE 23 CO 0.00 -0.20 1.18 -0.55 -1.23 0.00 0.00 174.94 174.14 1o1u s SER 24 N -3.47 6.92 0.52 3.58 0.15 -1.26 -4.79 113.70 115.35 1o1u s SER 24 Ca 0.33 2.41 0.25 0.00 0.70 0.00 0.00 55.95 59.64 1o1u s SER 24 Cb -0.10 -2.63 1.38 0.00 -1.71 0.00 0.00 66.02 62.97 1o1u s SER 24 CO 0.26 -0.40 1.98 -1.28 1.20 0.00 0.00 173.24 174.99 1o1u h SER 25 N 3.35 0.03 0.05 5.45 0.87 -1.98 0.26 113.55 121.58 1o1u h SER 25 Ca -0.48 0.00 -0.14 0.00 -1.23 0.00 0.00 61.79 59.94 1o1u h SER 25 Cb 1.22 -0.00 0.01 0.00 -0.44 0.00 0.00 62.40 63.19 1o1u h SER 25 CO 0.65 0.02 -0.60 -2.24 -0.53 0.00 0.00 176.83 174.13 1o1u h ASP 26 N 0.03 0.44 -0.52 6.23 2.03 -1.99 -2.03 116.42 120.61 1o1u h ASP 26 Ca 0.28 -0.84 -0.03 0.00 -0.73 0.00 0.00 57.03 55.71 1o1u h ASP 26 Cb 1.09 -0.14 -0.03 0.00 -0.83 0.00 0.00 39.33 39.43 1o1u h ASP 26 CO -0.01 1.23 0.23 0.58 -1.03 0.00 0.00 179.24 180.24 1o1u h VAL 27 N -0.30 1.20 0.54 4.15 2.07 -1.64 -0.60 116.25 121.67 1o1u h VAL 27 Ca -0.09 -0.61 -0.02 0.00 0.82 0.00 0.00 66.70 66.80 1o1u h VAL 27 Cb 1.37 0.53 -0.01 0.00 -1.52 0.00 0.00 31.29 31.65 1o1u h VAL 27 CO 0.11 0.24 -0.41 0.40 0.02 0.00 0.00 177.57 177.94 1o1u h ILE 28 N 0.80 0.17 -0.10 4.57 2.04 -0.44 -2.19 117.51 122.35 1o1u h ILE 28 Ca 0.19 0.00 0.03 0.00 1.00 0.00 0.00 64.86 66.08 1o1u h ILE 28 Cb 0.14 0.17 -0.00 0.00 -0.74 0.00 0.00 36.82 36.39 1o1u h ILE 28 CO -0.02 0.00 0.11 -0.33 0.00 0.00 0.00 178.15 177.91 1o1u h GLU 29 N -0.93 0.00 0.13 2.37 4.39 -0.67 -3.13 114.58 116.73 1o1u h GLU 29 Ca -0.06 0.00 -0.01 0.00 0.34 0.00 0.00 59.36 59.63 1o1u h GLU 29 Cb 0.79 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.44 1o1u h GLU 29 CO 0.01 0.00 -0.06 0.87 -1.16 0.00 0.00 179.01 178.67 1o1u h LYS 30 N 0.00 -0.17 -1.02 2.33 1.57 -0.47 -1.71 116.57 117.10 1o1u h LYS 30 Ca 0.05 0.01 0.25 0.00 -1.87 0.00 0.00 60.65 59.09 1o1u h LYS 30 Cb 0.27 0.04 -0.11 0.00 0.08 0.00 0.00 32.23 32.51 1o1u h LYS 30 CO -0.00 -0.11 0.62 0.00 -0.57 0.00 0.00 179.45 179.39 1o1u h ALA 31 N -1.86 1.93 -0.00 3.86 0.00 -1.48 0.53 119.26 122.23 1o1u h ALA 31 Ca -0.02 0.10 -0.17 0.00 0.00 0.00 0.00 54.91 54.83 1o1u h ALA 31 Cb 0.13 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.92 1o1u h ALA 31 CO 0.03 -0.38 -0.78 0.07 0.00 0.00 0.00 179.25 178.19 1o1u h ARG 32 N 0.53 0.05 -0.93 0.00 -0.00 -1.61 -2.76 114.38 109.66 1o1u h ARG 32 Ca 0.63 -0.05 -0.54 0.00 -0.00 0.00 0.00 59.98 60.03 1o1u h ARG 32 Cb 1.31 0.01 -0.29 0.00 -0.00 0.00 0.00 29.97 31.00 1o1u h ARG 32 CO -0.42 0.80 0.60 0.09 -0.00 0.00 0.00 179.97 181.04 1o1u n ASN 33 N -3.65 4.88 -3.72 0.08 4.13 0.15 -4.96 115.26 112.17 1o1u n ASN 33 Ca -0.01 -3.69 -0.14 0.00 1.68 0.00 0.00 54.58 52.42 1o1u n ASN 33 Cb 0.75 -0.85 -0.09 0.00 -1.54 0.00 0.00 39.78 38.05 1o1u n ASN 33 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1o1u s PHE 34 N -3.47 -0.36 -1.01 3.10 5.36 0.53 -4.93 117.98 117.21 1o1u s PHE 34 Ca 0.58 0.76 -0.17 0.00 -0.96 0.00 0.00 56.93 57.14 1o1u s PHE 34 Cb 0.48 0.15 0.14 0.00 -0.34 0.00 0.00 43.02 43.46 1o1u s PHE 34 CO 0.06 -0.33 1.21 0.15 -1.46 0.00 0.00 175.22 174.85 1o1u s LYS 35 N -0.55 3.74 0.17 10.12 3.01 -1.26 -4.72 119.74 130.24 1o1u s LYS 35 Ca -0.07 -2.00 -0.32 0.00 -1.01 0.00 0.00 55.97 52.58 1o1u s LYS 35 Cb -0.04 -4.95 -0.11 0.00 -1.01 0.00 0.00 37.83 31.72 1o1u s LYS 35 CO 0.03 -1.77 1.79 0.42 0.51 0.00 0.00 175.35 176.33 1o1u s ILE 36 N 2.36 2.25 0.34 2.17 1.01 -1.26 -4.52 121.20 123.54 1o1u s ILE 36 Ca 0.35 0.00 -0.12 0.00 0.00 0.00 0.00 60.65 60.88 1o1u s ILE 36 Cb -0.04 -3.00 -0.08 0.00 0.01 0.00 0.00 42.46 39.35 1o1u s ILE 36 CO -0.07 0.00 0.71 -0.69 0.00 0.00 0.00 174.94 174.90 1o1u s VAL 37 N 2.00 4.76 -0.08 2.92 1.01 0.84 -1.20 120.40 130.66 1o1u s VAL 37 Ca 0.78 0.73 -0.03 0.00 0.00 0.00 0.00 61.98 63.47 1o1u s VAL 37 Cb -0.48 -3.66 0.04 0.00 0.00 0.00 0.00 36.38 32.28 1o1u s VAL 37 CO 0.34 -0.29 0.09 -0.89 0.00 0.00 0.00 175.10 174.35 1o1u s THR 38 N -2.10 -0.14 0.22 3.92 2.01 0.41 0.34 115.64 120.31 1o1u s THR 38 Ca 0.52 0.29 0.07 0.00 0.31 0.00 0.00 61.69 62.88 1o1u s THR 38 Cb -0.10 -0.27 -0.04 0.00 0.01 0.00 0.00 72.50 72.10 1o1u s THR 38 CO 0.23 0.08 0.11 -1.61 -0.69 0.00 0.00 174.62 172.74 1o1u s GLU 39 N 2.19 2.70 0.00 4.92 0.41 -0.90 0.12 118.70 128.14 1o1u s GLU 39 Ca 0.04 -1.10 -0.06 0.00 -0.41 0.00 0.00 54.97 53.45 1o1u s GLU 39 Cb -0.13 -2.46 -0.00 0.00 -1.78 0.00 0.00 34.13 29.76 1o1u s GLU 39 CO -0.05 0.42 0.10 0.08 -0.49 0.00 0.00 175.26 175.33 1o1u s VAL 40 N -2.02 0.09 -0.37 2.63 1.01 -0.50 -0.79 120.40 120.45 1o1u s VAL 40 Ca 0.31 -0.71 0.02 0.00 0.00 0.00 0.00 61.98 61.61 1o1u s VAL 40 Cb -0.08 -0.39 0.15 0.00 0.00 0.00 0.00 36.38 36.06 1o1u s VAL 40 CO 0.22 -0.39 0.31 -1.58 0.00 0.00 0.00 175.10 173.66 1o1u s GLN 41 N -1.34 0.64 -0.90 2.72 0.74 -1.06 -1.75 119.66 118.71 1o1u s GLN 41 Ca -0.14 -1.22 -0.25 0.00 0.05 0.00 0.00 55.36 53.80 1o1u s GLN 41 Cb -0.08 -1.04 -0.08 0.00 1.10 0.00 0.00 33.01 32.92 1o1u s GLN 41 CO 0.01 -1.23 2.06 -1.14 -0.55 0.00 0.00 175.29 174.44 1o1u s GLN 42 N 1.09 2.28 -1.23 1.67 -0.44 -0.65 -2.13 119.66 120.26 1o1u s GLN 42 Ca 0.20 -0.16 -0.08 0.00 -2.50 0.00 0.00 55.36 52.82 1o1u s GLN 42 Cb -0.16 -5.00 0.20 0.00 -1.64 0.00 0.00 33.01 26.40 1o1u s GLN 42 CO -0.03 -3.73 1.78 -0.40 0.50 0.00 0.00 175.29 173.41 1o1u n ASP 43 N 15.29 5.40 0.00 6.67 5.75 -0.88 -4.96 116.55 143.82 1o1u n ASP 43 Ca 0.42 -3.18 0.00 0.00 -0.01 0.00 0.00 54.79 52.02 1o1u n ASP 43 Cb 0.46 -1.43 0.00 0.00 -1.03 0.00 0.00 41.12 39.12 1o1u n ASP 43 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1o1u n GLY 44 N 2.48 -1.25 0.44 6.12 0.00 -1.26 -3.53 105.19 108.18 1o1u n GLY 44 Ca 0.37 -1.26 0.25 0.00 0.00 0.00 0.00 46.02 45.38 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 0.24 -6.84 1.61 4.15 -1.94 -3.38 115.11 108.94 1o1u h GLN 45 Ca 0.00 -0.01 -0.47 0.00 0.77 0.00 0.00 58.65 58.93 1o1u h GLN 45 Cb 0.00 -0.05 -0.02 0.00 0.21 0.00 0.00 27.48 27.61 1o1u h GLN 45 CO 0.00 0.16 0.27 0.34 -1.93 0.00 0.00 178.83 177.67 1o1u s ASP 46 N -5.42 7.14 0.27 -0.69 2.15 -1.23 -2.07 116.67 116.82 1o1u s ASP 46 Ca -0.07 1.67 0.11 0.00 0.43 0.00 0.00 52.55 54.69 1o1u s ASP 46 Cb 0.23 -2.52 -0.05 0.00 -0.30 0.00 0.00 42.92 40.29 1o1u s ASP 46 CO 0.79 -0.12 -0.19 -0.36 -0.17 0.00 0.00 175.17 175.12 1o1u s PHE 47 N -1.75 2.22 -0.60 -5.34 0.40 0.17 -2.07 117.98 111.00 1o1u s PHE 47 Ca 0.52 -0.37 0.05 0.00 -0.60 0.00 0.00 56.93 56.53 1o1u s PHE 47 Cb -0.15 -0.98 0.20 0.00 0.51 0.00 0.00 43.02 42.59 1o1u s PHE 47 CO 0.20 0.67 0.52 0.25 0.70 0.00 0.00 175.22 177.56 1o1u n THR 48 N -0.60 0.97 -2.13 0.64 -2.24 -0.90 -3.05 114.28 106.97 1o1u n THR 48 Ca -0.05 -4.56 -0.32 0.00 -2.27 0.00 0.00 64.05 56.85 1o1u n THR 48 Cb 0.60 -2.03 -0.01 0.00 -2.10 0.00 0.00 70.33 66.79 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 -1.35 3.32 0.09 4.78 -0.11 -1.19 -2.57 118.94 121.93 1o1u s TRP 49 Ca 0.31 1.45 -0.12 0.00 1.22 0.00 0.00 56.10 58.95 1o1u s TRP 49 Cb 0.04 -2.85 0.02 0.00 -1.50 0.00 0.00 33.47 29.18 1o1u s TRP 49 CO -0.14 -0.71 0.29 -1.12 -4.62 0.00 0.00 176.95 170.65 1o1u s SER 50 N -3.24 -0.05 -0.46 5.86 0.01 0.03 -2.55 113.70 113.29 1o1u s SER 50 Ca 0.59 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 57.45 1o1u s SER 50 Cb -0.12 0.39 0.17 0.00 0.21 0.00 0.00 66.02 66.66 1o1u s SER 50 CO 0.39 -0.75 0.35 -1.10 0.41 0.00 0.00 173.24 172.54 1o1u s GLN 51 N -3.58 1.15 0.38 12.44 -0.21 -0.24 -2.12 119.66 127.48 1o1u s GLN 51 Ca 0.02 -2.25 -0.24 0.00 0.02 0.00 0.00 55.36 52.91 1o1u s GLN 51 Cb 0.03 -1.78 -0.10 0.00 1.00 0.00 0.00 33.01 32.16 1o1u s GLN 51 CO -0.10 -1.35 0.97 -1.01 -2.12 0.00 0.00 175.29 171.69 1o1u s HIS 52 N -0.11 3.45 -1.12 0.91 3.76 0.15 -2.48 115.29 119.85 1o1u s HIS 52 Ca 0.30 1.69 -0.04 0.00 -0.15 0.00 0.00 55.06 56.86 1o1u s HIS 52 Cb -0.01 -2.95 0.27 0.00 1.11 0.00 0.00 32.58 31.00 1o1u s HIS 52 CO -0.17 -0.12 1.72 0.66 -0.85 0.00 0.00 174.74 175.98 1o1u n TYR 53 N -0.01 2.50 -3.88 1.40 4.02 -0.15 -0.11 117.16 120.93 1o1u n TYR 53 Ca 0.04 -2.62 -0.24 0.00 -0.01 0.00 0.00 57.90 55.07 1o1u n TYR 53 Cb 0.51 -1.40 -0.00 0.00 -0.02 0.00 0.00 39.34 38.43 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 1.40 -0.79 0.00 7.72 2.88 -1.26 -2.14 113.62 121.43 1o1u n SER 54 Ca 0.37 -0.94 0.00 0.00 -1.33 0.00 0.00 58.87 56.97 1o1u n SER 54 Cb 0.31 -3.39 0.00 0.00 -0.75 0.00 0.00 64.21 60.38 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 -1.83 2.71 0.00 0.46 0.00 -1.26 -4.97 105.19 100.31 1o1u n GLY 55 Ca -0.29 -0.06 0.00 0.00 0.00 0.00 0.00 46.02 45.68 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 0.68 3.53 -0.02 0.00 -0.91 -4.87 105.19 103.61 1o1u n GLY 56 Ca 0.00 -0.03 -0.37 0.00 0.00 0.00 0.00 46.02 45.62 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 0.00 -0.07 -3.73 1.61 -0.00 -1.26 -4.72 115.22 107.05 1o1u n HIS 57 Ca 0.00 0.42 -0.28 0.00 -0.00 0.00 0.00 57.72 57.86 1o1u n HIS 57 Cb 0.00 -2.02 -0.16 0.00 -0.00 0.00 0.00 29.99 27.81 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 -1.69 0.53 0.39 3.57 2.01 -1.26 -0.98 115.64 118.22 1o1u s THR 58 Ca 0.71 -0.62 -0.12 0.00 0.31 0.00 0.00 61.69 61.98 1o1u s THR 58 Cb -0.41 -1.07 -0.07 0.00 0.01 0.00 0.00 72.50 70.96 1o1u s THR 58 CO 0.52 -0.26 0.77 -0.32 -0.69 0.00 0.00 174.62 174.64 1o1u s MET 59 N 1.85 3.83 0.06 4.92 0.00 -1.04 -4.95 119.30 123.98 1o1u s MET 59 Ca -0.00 0.53 0.02 0.00 0.00 0.00 0.00 55.69 56.24 1o1u s MET 59 Cb -0.17 -2.39 -0.03 0.00 0.00 0.00 0.00 34.83 32.24 1o1u s MET 59 CO -0.10 -0.01 -0.08 0.99 0.00 0.00 0.00 175.02 175.82 1o1u s THR 60 N -2.31 0.63 -0.50 10.11 2.01 -1.26 -1.08 115.64 123.24 1o1u s THR 60 Ca 0.52 -1.36 0.07 0.00 0.31 0.00 0.00 61.69 61.23 1o1u s THR 60 Cb -0.10 -0.96 0.24 0.00 0.01 0.00 0.00 72.50 71.68 1o1u s THR 60 CO 0.29 -0.52 0.59 0.59 -0.69 0.00 0.00 174.62 174.87 1o1u n ASN 61 N 0.99 1.60 -4.77 3.53 4.13 -1.06 -3.99 115.26 115.70 1o1u n ASN 61 Ca -0.19 -2.97 -0.39 0.00 1.68 0.00 0.00 54.58 52.71 1o1u n ASN 61 Cb 0.56 -0.65 -0.04 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 -1.56 4.35 0.26 3.52 2.20 -1.26 -3.14 119.74 124.12 1o1u s LYS 62 Ca 0.36 1.75 -0.21 0.00 -0.36 0.00 0.00 55.97 57.50 1o1u s LYS 62 Cb 0.14 -2.88 0.03 0.00 -1.51 0.00 0.00 37.83 33.61 1o1u s LYS 62 CO -0.09 -0.03 0.72 -0.59 -0.36 0.00 0.00 175.35 175.00 1o1u s PHE 63 N -1.36 -0.22 -0.03 4.03 -0.12 -1.17 -4.76 117.98 114.34 1o1u s PHE 63 Ca 0.51 -0.20 0.05 0.00 -0.05 0.00 0.00 56.93 57.25 1o1u s PHE 63 Cb -0.29 0.69 -0.01 0.00 -0.63 0.00 0.00 43.02 42.78 1o1u s PHE 63 CO 0.37 -1.17 -0.19 0.99 -0.05 0.00 0.00 175.22 175.17 1o1u s THR 64 N -3.86 1.57 0.23 -4.49 2.01 -1.26 -0.66 115.64 109.18 1o1u s THR 64 Ca 0.10 -0.82 -0.05 0.00 0.31 0.00 0.00 61.69 61.23 1o1u s THR 64 Cb -0.05 -1.33 -0.05 0.00 0.01 0.00 0.00 72.50 71.07 1o1u s THR 64 CO 0.05 0.45 0.49 0.68 -0.69 0.00 0.00 174.62 175.59 1o1u s VAL 65 N -0.20 5.06 -1.92 3.82 -7.23 -0.88 -2.07 120.40 116.99 1o1u s VAL 65 Ca 0.01 0.07 0.00 0.00 -1.81 0.00 0.00 61.98 60.25 1o1u s VAL 65 Cb -0.10 -3.69 0.00 0.00 0.56 0.00 0.00 36.38 33.15 1o1u s VAL 65 CO 0.01 -0.17 0.00 0.61 -0.31 0.00 0.00 175.10 175.24 1o1u n GLY 66 N -0.52 0.94 2.06 2.32 0.00 0.16 -4.74 105.19 105.40 1o1u n GLY 66 Ca -0.02 -0.07 0.00 0.00 0.00 0.00 0.00 46.02 45.93 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 -2.62 0.00 0.00 1.61 3.00 -1.23 -5.09 118.16 113.83 1o1u n LYS 67 Ca -0.21 0.00 0.00 0.00 -0.00 0.00 0.00 58.31 58.10 1o1u n LYS 67 Cb 0.66 0.00 0.00 0.00 0.00 0.00 0.00 35.03 35.69 1o1u n LYS 67 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.40 176.55 1o1u n GLU 68 N -3.40 0.00 -3.72 1.64 0.28 -0.88 -4.93 120.64 109.63 1o1u n GLU 68 Ca 0.00 0.00 -0.07 0.00 -0.16 0.00 0.00 57.16 56.93 1o1u n GLU 68 Cb 0.00 0.00 -0.02 0.00 1.43 0.00 0.00 31.44 32.85 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 -0.29 0.30 -1.84 0.01 -1.14 -4.46 113.70 106.27 1o1u s SER 69 Ca 0.00 -0.38 -0.29 0.00 1.31 0.00 0.00 55.95 56.59 1o1u s SER 69 Cb 0.00 0.59 -0.09 0.00 0.21 0.00 0.00 66.02 66.73 1o1u s SER 69 CO 0.00 -1.06 1.09 0.20 0.41 0.00 0.00 173.24 173.87 1o1u s ASN 70 N -2.85 7.20 -0.00 2.44 -0.87 -1.26 -2.50 114.94 117.10 1o1u s ASN 70 Ca 0.09 2.22 0.01 0.00 -1.57 0.00 0.00 52.86 53.62 1o1u s ASN 70 Cb -0.03 -2.62 -0.00 0.00 -0.02 0.00 0.00 41.25 38.57 1o1u s ASN 70 CO 0.01 -0.19 -0.05 -0.63 -2.57 0.00 0.00 177.10 173.67 1o1u s ILE 71 N -1.24 0.38 0.09 0.60 1.01 0.61 -4.78 121.20 117.88 1o1u s ILE 71 Ca 0.46 -0.24 -0.13 0.00 0.00 0.00 0.00 60.65 60.74 1o1u s ILE 71 Cb -0.30 -0.33 -0.20 0.00 0.01 0.00 0.00 42.46 41.64 1o1u s ILE 71 CO 0.39 0.08 1.25 1.56 0.00 0.00 0.00 174.94 178.22 1o1u h GLN 72 N 5.96 0.72 -1.99 2.79 1.08 -1.84 -1.81 115.11 120.03 1o1u h GLN 72 Ca -0.28 -0.69 0.20 0.00 -1.45 0.00 0.00 58.65 56.43 1o1u h GLN 72 Cb 1.19 0.18 -0.10 0.00 -0.05 0.00 0.00 27.48 28.70 1o1u h GLN 72 CO 0.50 1.28 -0.68 0.25 -0.95 0.00 0.00 178.83 179.23 1o1u n THR 73 N -3.88 -0.41 -1.13 -0.54 -2.24 -1.26 -3.74 114.28 101.08 1o1u n THR 73 Ca -0.09 0.48 -0.13 0.00 -2.27 0.00 0.00 64.05 62.04 1o1u n THR 73 Cb 0.82 -0.76 0.26 0.00 -2.10 0.00 0.00 70.33 68.55 1o1u n THR 73 CO 0.00 0.00 0.00 0.23 -0.57 0.00 0.00 175.07 174.73 1o1u n MET 74 N -3.39 3.14 0.00 -0.78 0.00 -1.26 -4.90 117.12 109.92 1o1u n MET 74 Ca -0.05 -3.07 0.00 0.00 0.00 0.00 0.00 57.70 54.59 1o1u n MET 74 Cb 0.39 -2.20 0.00 0.00 0.00 0.00 0.00 33.22 31.41 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 -0.56 1.50 0.16 3.03 0.00 -1.26 -5.00 105.19 103.06 1o1u n GLY 75 Ca 0.48 -1.82 -0.12 0.00 0.00 0.00 0.00 46.02 44.56 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 0.45 -2.24 -0.02 0.00 -1.89 -3.49 103.07 95.88 1o1u h GLY 76 Ca 0.00 -0.75 -0.21 0.00 0.00 0.00 0.00 47.33 46.37 1o1u h GLY 76 CO 0.00 0.67 -0.36 0.54 0.00 0.00 0.00 176.54 177.39 1o1u s LYS 77 N -3.34 1.51 0.41 4.80 1.02 -1.26 -5.15 119.74 117.73 1o1u s LYS 77 Ca -0.06 -1.57 -0.26 0.00 0.02 0.00 0.00 55.97 54.11 1o1u s LYS 77 Cb 0.09 0.37 -0.08 0.00 -0.52 0.00 0.00 37.83 37.69 1o1u s LYS 77 CO 0.86 -0.58 1.27 0.99 -0.92 0.00 0.00 175.35 176.98 1o1u s THR 78 N -3.83 2.73 0.43 2.17 2.01 -1.25 -4.72 115.64 113.18 1o1u s THR 78 Ca 0.32 0.63 0.03 0.00 0.31 0.00 0.00 61.69 62.99 1o1u s THR 78 Cb 0.03 -3.37 -0.02 0.00 0.01 0.00 0.00 72.50 69.15 1o1u s THR 78 CO 0.14 0.08 0.11 -0.36 -0.69 0.00 0.00 174.62 173.90 1o1u s PHE 79 N -1.30 1.81 -0.02 4.92 0.08 -0.68 -4.96 117.98 117.83 1o1u s PHE 79 Ca 0.58 -1.23 0.05 0.00 0.12 0.00 0.00 56.93 56.45 1o1u s PHE 79 Cb -0.36 -1.24 -0.03 0.00 -0.57 0.00 0.00 43.02 40.82 1o1u s PHE 79 CO 0.46 -0.21 -0.17 0.21 -0.10 0.00 0.00 175.22 175.41 1o1u s LYS 80 N -3.73 2.31 -0.02 0.44 2.20 -1.26 -0.29 119.74 119.39 1o1u s LYS 80 Ca 0.21 -0.82 -0.22 0.00 -0.36 0.00 0.00 55.97 54.77 1o1u s LYS 80 Cb 0.02 -2.26 0.05 0.00 -1.51 0.00 0.00 37.83 34.13 1o1u s LYS 80 CO 0.13 0.59 0.49 0.00 -0.36 0.00 0.00 175.35 176.19 1o1u s ALA 81 N -0.77 -1.26 -0.57 3.13 0.00 -1.04 -4.36 121.76 116.89 1o1u s ALA 81 Ca 0.12 0.75 -0.20 0.00 0.00 0.00 0.00 51.96 52.63 1o1u s ALA 81 Cb -0.10 0.10 0.08 0.00 0.00 0.00 0.00 23.12 23.20 1o1u s ALA 81 CO 0.02 -0.35 0.73 0.99 0.00 0.00 0.00 175.76 177.15 1o1u s THR 82 N -1.50 4.74 0.38 0.00 2.01 -1.19 -2.90 115.64 117.18 1o1u s THR 82 Ca -0.11 -0.62 -0.25 0.00 0.31 0.00 0.00 61.69 61.03 1o1u s THR 82 Cb -0.02 -4.45 -0.09 0.00 0.01 0.00 0.00 72.50 67.95 1o1u s THR 82 CO 0.05 -1.05 1.04 -0.69 -0.69 0.00 0.00 174.62 173.28 1o1u s VAL 83 N 2.95 3.77 0.28 3.82 1.01 -1.26 -3.73 120.40 127.25 1o1u s VAL 83 Ca 0.16 1.40 0.03 0.00 0.00 0.00 0.00 61.98 63.56 1o1u s VAL 83 Cb -0.20 -3.74 -0.03 0.00 0.00 0.00 0.00 36.38 32.41 1o1u s VAL 83 CO 0.10 0.04 0.24 -1.10 0.00 0.00 0.00 175.10 174.39 1o1u s GLN 84 N -2.38 1.55 0.35 2.72 -0.21 0.94 -0.66 119.66 121.96 1o1u s GLN 84 Ca 0.56 -1.83 0.03 0.00 0.02 0.00 0.00 55.36 54.15 1o1u s GLN 84 Cb -0.22 0.32 -0.05 0.00 1.00 0.00 0.00 33.01 34.06 1o1u s GLN 84 CO 0.28 -0.56 0.08 -1.64 -2.12 0.00 0.00 175.29 171.33 1o1u s MET 85 N -3.71 1.73 0.13 2.91 -1.94 -1.26 -0.14 119.30 117.03 1o1u s MET 85 Ca 0.39 -2.00 0.00 0.00 -1.71 0.00 0.00 55.69 52.37 1o1u s MET 85 Cb 0.04 -0.74 0.00 0.00 2.01 0.00 0.00 34.83 36.14 1o1u s MET 85 CO 0.21 -0.30 0.00 0.39 -0.01 0.00 0.00 175.02 175.31 1o1u n GLU 86 N -0.75 0.00 0.00 2.03 1.02 -1.20 -4.87 120.64 116.87 1o1u n GLU 86 Ca -0.04 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.10 1o1u n GLU 86 Cb 0.66 -0.09 0.00 0.00 -0.02 0.00 0.00 31.44 31.99 1o1u n GLU 86 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1o1u n GLY 87 N 2.13 -1.87 2.18 0.62 0.00 -1.26 -4.93 105.19 102.06 1o1u n GLY 87 Ca 0.00 0.51 -0.30 0.00 0.00 0.00 0.00 46.02 46.23 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 -1.25 5.84 3.84 -0.02 0.00 -1.26 -4.93 105.19 107.41 1o1u n GLY 88 Ca 0.00 -2.23 -0.06 0.00 0.00 0.00 0.00 46.02 43.73 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 -3.70 1.75 0.07 1.61 -2.85 -1.26 -4.16 119.74 111.21 1o1u s LYS 89 Ca 0.60 -1.11 0.00 0.00 -1.00 0.00 0.00 55.97 54.46 1o1u s LYS 89 Cb 0.48 0.50 -0.04 0.00 -2.06 0.00 0.00 37.83 36.71 1o1u s LYS 89 CO 0.01 -0.82 -0.04 -1.17 0.10 0.00 0.00 175.35 173.43 1o1u s LEU 90 N -3.19 2.48 -0.00 2.77 2.96 0.07 -3.22 118.68 120.55 1o1u s LEU 90 Ca 0.18 -1.01 -0.02 0.00 -0.22 0.00 0.00 54.13 53.05 1o1u s LEU 90 Cb -0.04 0.09 -0.00 0.00 0.50 0.00 0.00 46.19 46.73 1o1u s LEU 90 CO 0.08 -0.55 0.04 -0.69 -1.32 0.00 0.00 176.35 173.92 1o1u s VAL 91 N -3.80 0.05 0.08 1.68 1.01 0.80 -2.18 120.40 118.05 1o1u s VAL 91 Ca 0.10 -0.44 -0.20 0.00 0.00 0.00 0.00 61.98 61.43 1o1u s VAL 91 Cb 0.07 -0.22 0.05 0.00 0.00 0.00 0.00 36.38 36.28 1o1u s VAL 91 CO -0.07 -0.24 0.48 0.54 0.00 0.00 0.00 175.10 175.81 1o1u s VAL 92 N -0.75 0.04 -0.17 2.92 0.11 0.06 -0.04 120.40 122.57 1o1u s VAL 92 Ca -0.08 -0.33 -0.05 0.00 -2.93 0.00 0.00 61.98 58.58 1o1u s VAL 92 Cb -0.05 -1.03 0.08 0.00 -1.53 0.00 0.00 36.38 33.86 1o1u s VAL 92 CO 0.00 -0.18 0.33 0.54 -3.33 0.00 0.00 175.10 172.46 1o1u s ASN 93 N -2.30 0.15 0.23 3.54 2.20 -1.24 -2.04 114.94 115.49 1o1u s ASN 93 Ca -0.02 0.67 0.07 0.00 -0.94 0.00 0.00 52.86 52.64 1o1u s ASN 93 Cb -0.00 0.98 -0.04 0.00 -2.00 0.00 0.00 41.25 40.19 1o1u s ASN 93 CO -0.06 -0.25 0.12 -0.36 -2.94 0.00 0.00 177.10 173.61 1o1u s PHE 94 N 2.50 2.99 -1.13 1.54 0.40 -0.78 -3.20 117.98 120.31 1o1u s PHE 94 Ca 0.02 -0.13 -0.16 0.00 -0.60 0.00 0.00 56.93 56.06 1o1u s PHE 94 Cb -0.13 -1.37 -0.07 0.00 0.51 0.00 0.00 43.02 41.97 1o1u s PHE 94 CO -0.11 0.54 2.17 -0.35 0.70 0.00 0.00 175.22 178.18 1o1u n PRO 95 N -0.85 2.31 0.02 0.24 -0.04 -1.26 -3.30 135.00 132.11 1o1u n PRO 95 Ca -0.08 -2.10 0.00 0.00 -0.04 0.00 0.00 63.50 61.29 1o1u n PRO 95 Cb 0.57 -2.97 0.00 0.00 -0.04 0.00 0.00 33.50 31.06 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 6.09 -0.44 -2.31 3.54 4.13 -1.26 -5.09 115.26 119.92 1o1u n ASN 96 Ca 0.53 0.24 -0.09 0.00 1.68 0.00 0.00 54.58 56.94 1o1u n ASN 96 Cb 0.34 0.63 -0.01 0.00 -1.54 0.00 0.00 39.78 39.20 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 -2.51 -1.34 -4.15 3.10 4.11 -1.21 -4.92 117.16 110.24 1o1u n TYR 97 Ca 0.00 -1.50 -0.14 0.00 -0.00 0.00 0.00 57.90 56.26 1o1u n TYR 97 Cb 0.00 0.44 -0.11 0.00 -0.00 0.00 0.00 39.34 39.67 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 -3.83 0.96 0.00 -3.48 5.65 0.13 -1.86 115.29 112.86 1o1u s HIS 98 Ca 0.17 -0.63 -0.25 0.00 0.25 0.00 0.00 55.06 54.60 1o1u s HIS 98 Cb -0.01 -0.54 0.06 0.00 -1.18 0.00 0.00 32.58 30.90 1o1u s HIS 98 CO 0.12 -0.03 0.56 -1.14 -0.65 0.00 0.00 174.74 173.60 1o1u s GLN 99 N -2.53 1.00 -0.08 2.88 -0.44 -0.86 0.31 119.66 119.93 1o1u s GLN 99 Ca 0.02 -0.03 -0.03 0.00 -2.50 0.00 0.00 55.36 52.82 1o1u s GLN 99 Cb -0.04 0.46 0.04 0.00 -1.64 0.00 0.00 33.01 31.83 1o1u s GLN 99 CO -0.00 -0.33 0.15 0.95 0.50 0.00 0.00 175.29 176.56 1o1u s THR 100 N -1.79 -0.22 0.38 -0.34 -4.23 -1.12 -0.76 115.64 107.57 1o1u s THR 100 Ca -0.09 0.33 0.02 0.00 -1.18 0.00 0.00 61.69 60.77 1o1u s THR 100 Cb -0.01 -0.28 -0.01 0.00 1.34 0.00 0.00 72.50 73.54 1o1u s THR 100 CO 0.04 0.14 0.56 -0.44 -0.54 0.00 0.00 174.62 174.38 1o1u s SER 101 N 2.08 6.03 -0.31 3.99 0.01 -0.93 -2.85 113.70 121.72 1o1u s SER 101 Ca 0.01 0.20 0.05 0.00 1.31 0.00 0.00 55.95 57.52 1o1u s SER 101 Cb -0.12 -1.63 0.19 0.00 0.21 0.00 0.00 66.02 64.67 1o1u s SER 101 CO -0.06 -0.47 0.54 -0.70 0.41 0.00 0.00 173.24 172.96 1o1u s GLU 102 N -4.35 0.56 0.50 12.44 -6.30 -0.74 -0.75 118.70 120.05 1o1u s GLU 102 Ca 0.44 0.29 -0.21 0.00 -2.50 0.00 0.00 54.97 53.00 1o1u s GLU 102 Cb -0.10 0.05 -0.07 0.00 0.00 0.00 0.00 34.13 34.01 1o1u s GLU 102 CO 0.35 -1.07 1.09 0.42 0.02 0.00 0.00 175.26 176.07 1o1u s ILE 103 N 2.59 3.49 -0.50 -3.70 -1.09 -1.26 -3.08 121.20 117.65 1o1u s ILE 103 Ca 0.11 0.96 0.04 0.00 -2.23 0.00 0.00 60.65 59.53 1o1u s ILE 103 Cb -0.10 -3.41 0.17 0.00 -1.58 0.00 0.00 42.46 37.54 1o1u s ILE 103 CO -0.24 -0.16 0.39 -0.69 -1.23 0.00 0.00 174.94 173.00 1o1u s VAL 104 N -1.83 1.11 0.00 2.92 1.01 -0.13 -4.92 120.40 118.57 1o1u s VAL 104 Ca 0.68 -3.14 0.00 0.00 0.00 0.00 0.00 61.98 59.52 1o1u s VAL 104 Cb -0.21 -1.75 0.00 0.00 0.00 0.00 0.00 36.38 34.42 1o1u s VAL 104 CO 0.25 -1.16 0.00 0.61 0.00 0.00 0.00 175.10 174.79 1o1u n GLY 105 N 2.59 1.12 2.40 4.51 0.00 -1.26 -3.11 105.19 111.44 1o1u n GLY 105 Ca 0.27 0.46 -0.21 0.00 0.00 0.00 0.00 46.02 46.54 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 3.16 1.87 -3.64 1.61 9.92 -1.26 -5.05 116.55 123.17 1o1u n ASP 106 Ca 0.00 -3.19 -0.07 0.00 -0.53 0.00 0.00 54.79 51.00 1o1u n ASP 106 Cb 0.00 -0.61 -0.07 0.00 -0.64 0.00 0.00 41.12 39.80 1o1u n ASP 106 CO 0.00 0.00 0.00 -0.75 0.13 0.00 0.00 177.20 176.58 1o1u s LYS 107 N -2.65 0.44 -0.15 -1.24 2.20 -1.18 -3.55 119.74 113.61 1o1u s LYS 107 Ca 0.42 0.57 -0.03 0.00 -0.36 0.00 0.00 55.97 56.57 1o1u s LYS 107 Cb 0.32 0.20 -0.02 0.00 -1.51 0.00 0.00 37.83 36.81 1o1u s LYS 107 CO -0.10 -0.06 -0.06 -1.17 -0.36 0.00 0.00 175.35 173.61 1o1u s LEU 108 N 0.42 3.10 0.22 5.43 2.96 0.32 -0.95 118.68 130.18 1o1u s LEU 108 Ca 0.01 -0.19 0.09 0.00 -0.22 0.00 0.00 54.13 53.82 1o1u s LEU 108 Cb -0.05 -1.74 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1o1u s LEU 108 CO -0.09 0.16 -0.17 0.68 -1.32 0.00 0.00 176.35 175.61 1o1u s VAL 109 N 0.43 1.99 0.10 1.68 -7.23 -1.18 0.57 120.40 116.76 1o1u s VAL 109 Ca -0.05 -2.20 -0.05 0.00 -1.81 0.00 0.00 61.98 57.86 1o1u s VAL 109 Cb -0.15 -2.08 -0.02 0.00 0.56 0.00 0.00 36.38 34.69 1o1u s VAL 109 CO 0.03 -0.47 0.11 -1.61 -0.31 0.00 0.00 175.10 172.86 1o1u s GLU 110 N -3.40 0.83 -0.26 4.82 2.02 -1.21 -1.79 118.70 119.71 1o1u s GLU 110 Ca 0.23 -1.15 -0.02 0.00 0.02 0.00 0.00 54.97 54.05 1o1u s GLU 110 Cb -0.03 0.29 0.12 0.00 0.10 0.00 0.00 34.13 34.61 1o1u s GLU 110 CO 0.09 -0.24 0.29 0.54 0.02 0.00 0.00 175.26 175.96 1o1u s VAL 111 N -3.93 -0.42 0.60 2.63 0.11 -1.13 -1.22 120.40 117.04 1o1u s VAL 111 Ca 0.11 -0.30 0.01 0.00 -2.93 0.00 0.00 61.98 58.86 1o1u s VAL 111 Cb 0.06 -0.87 0.06 0.00 -1.53 0.00 0.00 36.38 34.10 1o1u s VAL 111 CO -0.07 -0.33 0.84 -0.55 -3.33 0.00 0.00 175.10 171.66 1o1u s SER 112 N 2.39 5.03 -0.11 3.54 0.15 -0.85 -2.78 113.70 121.07 1o1u s SER 112 Ca 0.09 -0.09 -0.30 0.00 0.70 0.00 0.00 55.95 56.35 1o1u s SER 112 Cb -0.15 -0.65 0.10 0.00 -1.71 0.00 0.00 66.02 63.61 1o1u s SER 112 CO -0.24 -1.34 0.86 -0.89 1.20 0.00 0.00 173.24 172.84 1o1u s THR 113 N -2.87 0.00 0.02 6.45 2.01 0.15 -2.23 115.64 119.17 1o1u s THR 113 Ca 0.60 0.00 0.00 0.00 0.31 0.00 0.00 61.69 62.60 1o1u s THR 113 Cb -0.09 -1.00 0.00 0.00 0.01 0.00 0.00 72.50 71.42 1o1u s THR 113 CO 0.40 0.00 0.00 0.00 -0.69 0.00 0.00 174.62 174.33 1o1u n ILE 114 N 0.78 0.00 -2.74 1.82 3.06 -1.21 0.18 119.36 121.24 1o1u n ILE 114 Ca -0.14 0.00 -0.06 0.00 -2.50 0.00 0.00 62.75 60.05 1o1u n ILE 114 Cb 0.58 0.00 0.03 0.00 0.54 0.00 0.00 39.64 40.79 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 -1.49 -0.45 2.19 4.50 0.00 -1.26 -4.92 105.19 103.76 1o1u n GLY 115 Ca 0.00 0.41 -0.07 0.00 0.00 0.00 0.00 46.02 46.36 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 2.26 0.82 3.12 -0.02 0.00 -1.26 -5.02 105.19 105.09 1o1u n GLY 116 Ca 0.13 -0.74 -0.10 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 -2.26 0.10 -0.18 1.61 1.01 -1.26 -5.14 120.40 114.29 1o1u s VAL 117 Ca 0.00 -0.86 -0.10 0.00 0.00 0.00 0.00 61.98 61.02 1o1u s VAL 117 Cb 0.00 -0.67 0.06 0.00 0.00 0.00 0.00 36.38 35.77 1o1u s VAL 117 CO 0.00 -0.47 0.43 -0.89 0.00 0.00 0.00 175.10 174.17 1o1u s THR 118 N -2.00 -0.02 -0.49 3.92 2.01 -1.26 -3.36 115.64 114.44 1o1u s THR 118 Ca -0.10 0.08 -0.04 0.00 0.31 0.00 0.00 61.69 61.94 1o1u s THR 118 Cb -0.04 -0.63 0.13 0.00 0.01 0.00 0.00 72.50 71.96 1o1u s THR 118 CO -0.01 0.03 0.30 -0.47 -0.69 0.00 0.00 174.62 173.78 1o1u s TYR 119 N 1.29 3.52 0.54 4.92 5.04 -0.95 -4.26 117.35 127.44 1o1u s TYR 119 Ca -0.09 -2.45 -0.17 0.00 -2.44 0.00 0.00 57.07 51.92 1o1u s TYR 119 Cb -0.08 -3.25 -0.06 0.00 0.35 0.00 0.00 41.96 38.91 1o1u s TYR 119 CO -0.12 -0.93 1.02 -1.21 -1.34 0.00 0.00 175.55 172.97 1o1u s GLU 120 N 0.75 3.68 0.30 4.97 2.02 -1.26 -2.00 118.70 127.16 1o1u s GLU 120 Ca 0.11 1.15 -0.01 0.00 0.02 0.00 0.00 54.97 56.24 1o1u s GLU 120 Cb -0.22 -2.09 -0.02 0.00 0.10 0.00 0.00 34.13 31.90 1o1u s GLU 120 CO -0.04 -0.51 0.35 -0.98 0.02 0.00 0.00 175.26 174.10 1o1u s ARG 121 N -3.85 1.67 -0.43 1.61 1.70 -0.36 -2.37 118.95 116.94 1o1u s ARG 121 Ca 0.63 -1.75 0.05 0.00 -0.47 0.00 0.00 55.73 54.19 1o1u s ARG 121 Cb -0.14 0.38 0.18 0.00 -0.57 0.00 0.00 34.95 34.80 1o1u s ARG 121 CO 0.30 -0.65 0.42 1.33 -1.08 0.00 0.00 175.30 175.62 1o1u n VAL 122 N -0.50 -0.98 -2.20 4.99 0.24 -1.24 -3.31 118.33 115.33 1o1u n VAL 122 Ca 0.03 -3.08 -0.38 0.00 -2.04 0.00 0.00 64.34 58.87 1o1u n VAL 122 Cb 0.63 -1.24 -0.03 0.00 -1.47 0.00 0.00 33.84 31.73 1o1u n VAL 122 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1o1u s SER 123 N 0.04 5.55 1.05 -1.34 0.01 0.19 -3.66 113.70 115.55 1o1u s SER 123 Ca 0.33 -0.09 -0.13 0.00 1.31 0.00 0.00 55.95 57.37 1o1u s SER 123 Cb 0.05 -2.54 0.22 0.00 0.21 0.00 0.00 66.02 63.95 1o1u s SER 123 CO -0.17 -2.24 1.08 -0.54 0.41 0.00 0.00 173.24 171.78 1o1u s LYS 124 N 6.59 -0.00 -0.73 12.44 1.02 -1.00 -0.52 119.74 137.54 1o1u s LYS 124 Ca 0.58 0.56 -0.09 0.00 0.02 0.00 0.00 55.97 57.05 1o1u s LYS 124 Cb -0.10 -1.68 0.19 0.00 -0.52 0.00 0.00 37.83 35.72 1o1u s LYS 124 CO 0.15 -3.04 0.61 0.50 -0.92 0.00 0.00 175.35 172.65 1o1u s ARG 125 N -4.84 3.10 0.00 1.68 3.00 -1.23 -1.90 118.95 118.76 1o1u s ARG 125 Ca 0.66 -2.48 0.00 0.00 -1.00 0.00 0.00 55.73 52.91 1o1u s ARG 125 Cb -0.20 -4.10 0.00 0.00 0.00 0.00 0.00 34.95 30.65 1o1u s ARG 125 CO 0.59 -1.24 0.00 1.47 0.00 0.00 0.00 175.30 176.13 1o1u n LEU 126 N 3.76 0.00 0.00 -0.88 -0.00 -1.22 -4.91 117.00 113.76 1o1u n LEU 126 Ca 0.10 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.11 1o1u n LEU 126 Cb 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 1o1u n LEU 126 CO 0.34 0.00 0.00 0.00 -0.00 0.00 0.00 177.39 177.73