#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4a s THR 2 N 0.00 -0.54 -0.13 1.09 2.01 -1.26 0.17 115.64 116.98 1g4a s THR 2 Ca 0.00 -0.05 -0.13 0.00 0.31 0.00 0.00 61.69 61.82 1g4a s THR 2 Cb 0.00 -0.76 -0.05 0.00 0.01 0.00 0.00 72.50 71.71 1g4a s THR 2 CO 0.00 -0.12 0.28 -0.63 -0.69 0.00 0.00 174.62 173.46 1g4a s ILE 3 N 2.50 5.29 0.06 1.82 -1.09 -0.67 -3.13 121.20 125.98 1g4a s ILE 3 Ca 0.10 0.53 0.04 0.00 -2.23 0.00 0.00 60.65 59.09 1g4a s ILE 3 Cb -0.15 -3.60 -0.03 0.00 -1.58 0.00 0.00 42.46 37.10 1g4a s ILE 3 CO -0.14 0.46 -0.11 0.68 -1.23 0.00 0.00 174.94 174.59 1g4a s VAL 4 N -0.05 0.88 -0.15 2.92 -7.23 0.69 -2.34 120.40 115.13 1g4a s VAL 4 Ca 0.17 -1.27 -0.11 0.00 -1.81 0.00 0.00 61.98 58.95 1g4a s VAL 4 Cb -0.13 -0.94 0.04 0.00 0.56 0.00 0.00 36.38 35.91 1g4a s VAL 4 CO 0.05 -0.33 0.38 -0.55 -0.31 0.00 0.00 175.10 174.34 1g4a s SER 5 N -1.78 -0.42 -0.41 4.85 0.15 -1.05 0.15 113.70 115.19 1g4a s SER 5 Ca -0.04 0.78 0.04 0.00 0.70 0.00 0.00 55.95 57.44 1g4a s SER 5 Cb -0.09 0.75 0.18 0.00 -1.71 0.00 0.00 66.02 65.14 1g4a s SER 5 CO 0.01 -0.15 0.37 0.52 1.20 0.00 0.00 173.24 175.19 1g4a n VAL 6 N 3.37 -1.15 -1.65 4.45 0.31 -0.66 -2.65 118.33 120.35 1g4a n VAL 6 Ca -0.17 -3.44 -0.58 0.00 -0.01 0.00 0.00 64.34 60.14 1g4a n VAL 6 Cb 0.56 -1.63 -0.08 0.00 -0.91 0.00 0.00 33.84 31.78 1g4a n VAL 6 CO 0.00 0.00 0.00 -1.14 -1.32 0.00 0.00 176.83 174.37 1g4a n ARG 7 N 2.68 0.95 -3.65 5.55 0.63 -1.26 -4.38 116.66 117.18 1g4a n ARG 7 Ca 0.29 0.33 -0.10 0.00 -0.92 0.00 0.00 57.85 57.46 1g4a n ARG 7 Cb 0.49 -2.05 -0.08 0.00 0.45 0.00 0.00 32.46 31.27 1g4a n ARG 7 CO 0.00 0.00 0.00 0.50 -2.51 0.00 0.00 177.63 175.62 1g4a s ARG 8 N 4.06 0.66 4.45 -0.14 6.06 0.25 -4.96 118.95 129.33 1g4a s ARG 8 Ca 1.02 1.05 0.00 0.00 -2.50 0.00 0.00 55.73 55.30 1g4a s ARG 8 Cb -1.12 0.17 0.00 0.00 0.06 0.00 0.00 34.95 34.07 1g4a s ARG 8 CO 0.65 -0.13 0.00 -1.71 -2.50 0.00 0.00 175.30 171.61 1g4a n ASN 9 N 3.85 0.00 -1.04 -2.12 5.15 -1.26 -2.26 115.26 117.58 1g4a n ASN 9 Ca -0.19 0.00 -0.01 0.00 -0.60 0.00 0.00 54.58 53.78 1g4a n ASN 9 Cb 0.57 0.00 0.08 0.00 -0.53 0.00 0.00 39.78 39.90 1g4a n ASN 9 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 1g4a n GLY 10 N 0.00 2.19 3.37 8.20 0.00 -1.26 -4.89 105.19 112.79 1g4a n GLY 10 Ca 0.00 -0.25 -0.10 0.00 0.00 0.00 0.00 46.02 45.67 1g4a n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g4a s HIS 11 N -1.19 0.51 -0.06 1.61 3.76 -0.96 0.25 115.29 119.21 1g4a s HIS 11 Ca 0.14 -0.85 -0.03 0.00 -0.15 0.00 0.00 55.06 54.16 1g4a s HIS 11 Cb 0.11 -0.09 0.03 0.00 1.11 0.00 0.00 32.58 33.75 1g4a s HIS 11 CO 0.03 -0.76 0.15 0.08 -0.85 0.00 0.00 174.74 173.39 1g4a s VAL 12 N -4.01 -0.04 0.13 -0.90 1.01 -1.26 0.85 120.40 116.18 1g4a s VAL 12 Ca 0.21 0.14 0.06 0.00 0.00 0.00 0.00 61.98 62.39 1g4a s VAL 12 Cb 0.03 -0.24 -0.04 0.00 0.00 0.00 0.00 36.38 36.13 1g4a s VAL 12 CO 0.04 0.06 -0.13 0.68 0.00 0.00 0.00 175.10 175.74 1g4a s VAL 13 N 0.93 1.30 -0.09 2.92 -7.23 -1.26 -4.28 120.40 112.69 1g4a s VAL 13 Ca -0.07 -1.78 0.01 0.00 -1.81 0.00 0.00 61.98 58.33 1g4a s VAL 13 Cb -0.09 -1.58 0.02 0.00 0.56 0.00 0.00 36.38 35.28 1g4a s VAL 13 CO -0.05 -0.48 -0.12 -0.63 -0.31 0.00 0.00 175.10 173.51 1g4a s ILE 14 N -2.36 1.24 0.30 -0.62 1.01 -1.18 -1.65 121.20 117.95 1g4a s ILE 14 Ca 0.10 -0.49 0.10 0.00 0.00 0.00 0.00 60.65 60.36 1g4a s ILE 14 Cb -0.04 -1.16 -0.05 0.00 0.01 0.00 0.00 42.46 41.23 1g4a s ILE 14 CO 0.03 0.39 -0.06 0.00 0.00 0.00 0.00 174.94 175.29 1g4a s ALA 15 N 1.03 3.04 0.01 9.38 0.00 0.41 -2.92 121.76 132.70 1g4a s ALA 15 Ca -0.07 -1.86 -0.28 0.00 0.00 0.00 0.00 51.96 49.75 1g4a s ALA 15 Cb -0.15 -0.43 0.08 0.00 0.00 0.00 0.00 23.12 22.63 1g4a s ALA 15 CO -0.01 0.19 0.72 0.20 0.00 0.00 0.00 175.76 176.86 1g4a s GLY 16 N -3.64 -0.54 0.86 0.00 0.00 -1.00 -0.22 107.32 102.79 1g4a s GLY 16 Ca 0.32 1.09 -0.09 0.00 0.00 0.00 0.00 44.72 46.05 1g4a s GLY 16 CO 0.18 0.62 1.18 0.51 0.00 0.00 0.00 173.10 175.59 1g4a s ASP 17 N -1.88 3.58 -0.09 1.64 -4.77 -1.18 -2.61 116.67 111.35 1g4a s ASP 17 Ca -0.04 -0.10 0.15 0.00 -3.30 0.00 0.00 52.55 49.27 1g4a s ASP 17 Cb -0.01 -0.05 0.31 0.00 -1.09 0.00 0.00 42.92 42.08 1g4a s ASP 17 CO -0.01 -2.40 1.15 0.61 0.70 0.00 0.00 175.17 175.22 1g4a n GLY 18 N -3.36 2.95 3.52 2.12 0.00 -0.58 -4.21 105.19 105.63 1g4a n GLY 18 Ca 0.16 -0.88 -0.43 0.00 0.00 0.00 0.00 46.02 44.87 1g4a n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g4a s GLN 19 N -1.57 3.32 -0.11 1.61 0.74 -1.25 -1.20 119.66 121.19 1g4a s GLN 19 Ca 0.28 -0.30 -0.16 0.00 0.05 0.00 0.00 55.36 55.23 1g4a s GLN 19 Cb 0.28 -3.94 -0.05 0.00 1.10 0.00 0.00 33.01 30.40 1g4a s GLN 19 CO -0.07 -1.03 0.40 0.00 -0.55 0.00 0.00 175.29 174.05 1g4a s ALA 20 N 2.91 3.56 -0.17 1.58 0.00 -1.10 -4.60 121.76 123.95 1g4a s ALA 20 Ca 0.24 -0.29 0.00 0.00 0.00 0.00 0.00 51.96 51.91 1g4a s ALA 20 Cb -0.14 -2.50 0.04 0.00 0.00 0.00 0.00 23.12 20.52 1g4a s ALA 20 CO 0.20 0.14 -0.09 0.99 0.00 0.00 0.00 175.76 176.99 1g4a s THR 21 N 0.21 1.39 -0.42 0.00 2.01 -1.26 -2.42 115.64 115.14 1g4a s THR 21 Ca 0.22 -0.73 -0.20 0.00 0.31 0.00 0.00 61.69 61.29 1g4a s THR 21 Cb -0.15 -1.46 0.02 0.00 0.01 0.00 0.00 72.50 70.93 1g4a s THR 21 CO 0.09 0.24 0.60 -0.76 -0.69 0.00 0.00 174.62 174.10 1g4a s LEU 22 N 1.52 4.53 0.00 4.42 1.43 -0.77 -4.91 118.68 124.91 1g4a s LEU 22 Ca 0.01 -0.34 0.00 0.00 -1.03 0.00 0.00 54.13 52.77 1g4a s LEU 22 Cb -0.15 -2.67 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1g4a s LEU 22 CO -0.09 -0.72 0.00 0.61 0.23 0.00 0.00 176.35 176.39 1g4a n GLY 23 N 5.01 1.87 1.38 -3.19 0.00 -1.26 -0.72 105.19 108.28 1g4a n GLY 23 Ca -0.03 0.44 -0.08 0.00 0.00 0.00 0.00 46.02 46.36 1g4a n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4a n ASN 24 N 8.23 2.81 -4.09 1.61 3.02 -1.26 -5.01 115.26 120.57 1g4a n ASN 24 Ca 0.00 -3.71 -0.10 0.00 -0.03 0.00 0.00 54.58 50.74 1g4a n ASN 24 Cb 0.00 -0.67 -0.09 0.00 -0.61 0.00 0.00 39.78 38.41 1g4a n ASN 24 CO 0.00 0.00 0.00 0.42 -2.62 0.00 0.00 177.26 175.06 1g4a s THR 25 N -3.24 0.09 -0.18 3.41 -4.23 0.10 -5.15 115.64 106.44 1g4a s THR 25 Ca 0.47 -1.73 0.01 0.00 -1.18 0.00 0.00 61.69 59.26 1g4a s THR 25 Cb 0.42 -1.98 0.03 0.00 1.34 0.00 0.00 72.50 72.30 1g4a s THR 25 CO 0.02 -0.40 -0.17 0.54 -0.54 0.00 0.00 174.62 174.07 1g4a s VAL 26 N -4.02 1.96 0.00 2.29 0.11 -1.26 -1.85 120.40 117.63 1g4a s VAL 26 Ca 0.22 -0.97 0.00 0.00 -2.93 0.00 0.00 61.98 58.30 1g4a s VAL 26 Cb 0.06 -1.83 0.00 0.00 -1.53 0.00 0.00 36.38 33.08 1g4a s VAL 26 CO 0.01 0.44 0.00 1.15 -3.33 0.00 0.00 175.10 173.37 1g4a n MET 27 N 4.63 3.61 -1.09 1.54 0.00 -1.02 -4.72 117.12 120.07 1g4a n MET 27 Ca -0.19 0.00 -0.16 0.00 0.00 0.00 0.00 57.70 57.35 1g4a n MET 27 Cb 0.49 0.00 -0.17 0.00 0.00 0.00 0.00 33.22 33.54 1g4a n MET 27 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 175.97 177.14 1g4a n LYS 28 N 0.00 0.00 -0.29 3.17 0.00 -1.26 -4.57 118.16 115.21 1g4a n LYS 28 Ca 0.00 0.00 0.06 0.00 0.00 0.00 0.00 58.31 58.37 1g4a n LYS 28 Cb 0.00 -0.73 0.19 0.00 0.00 0.00 0.00 35.03 34.50 1g4a n LYS 28 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.40 177.81 1g4a n GLY 29 N 4.00 1.29 0.45 3.14 0.00 -1.24 -2.70 105.19 110.12 1g4a n GLY 29 Ca 0.49 -0.47 0.07 0.00 0.00 0.00 0.00 46.02 46.12 1g4a n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4a n ASN 30 N 0.62 2.16 -4.65 1.61 0.23 -0.69 -3.92 115.26 110.62 1g4a n ASN 30 Ca 0.14 -3.51 -0.43 0.00 -0.53 0.00 0.00 54.58 50.25 1g4a n ASN 30 Cb 0.46 -0.50 -0.03 0.00 -2.08 0.00 0.00 39.78 37.63 1g4a n ASN 30 CO 0.00 0.00 0.00 0.52 -0.93 0.00 0.00 177.26 176.85 1g4a n VAL 31 N -1.22 0.69 -1.55 3.53 0.31 -0.34 -4.85 118.33 114.89 1g4a n VAL 31 Ca 0.19 -0.17 -0.28 0.00 -0.01 0.00 0.00 64.34 64.07 1g4a n VAL 31 Cb 0.71 -2.27 -0.09 0.00 -0.91 0.00 0.00 33.84 31.28 1g4a n VAL 31 CO 0.00 0.00 0.00 1.17 -1.32 0.00 0.00 176.83 176.68 1g4a n LYS 32 N 7.55 0.86 0.00 5.55 3.00 -1.26 -4.11 118.16 129.76 1g4a n LYS 32 Ca 0.22 -1.92 0.06 0.00 -0.00 0.00 0.00 58.31 56.66 1g4a n LYS 32 Cb 0.39 -3.52 0.33 0.00 0.00 0.00 0.00 35.03 32.23 1g4a n LYS 32 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.40 179.03 1g4a n LYS 33 N 8.01 0.93 -3.73 1.64 5.02 -1.26 -4.72 118.16 124.05 1g4a n LYS 33 Ca 0.45 0.00 -0.12 0.00 -2.02 0.00 0.00 58.31 56.61 1g4a n LYS 33 Cb 0.45 -1.18 -0.13 0.00 -0.02 0.00 0.00 35.03 34.15 1g4a n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g4a s VAL 34 N -2.00 -0.04 0.15 -0.18 1.01 -1.26 -3.25 120.40 114.83 1g4a s VAL 34 Ca 0.17 0.15 -0.09 0.00 0.00 0.00 0.00 61.98 62.20 1g4a s VAL 34 Cb 0.08 -0.37 -0.01 0.00 0.00 0.00 0.00 36.38 36.08 1g4a s VAL 34 CO 0.13 0.06 0.26 -0.60 0.00 0.00 0.00 175.10 174.95 1g4a s ARG 35 N 1.22 1.09 -0.03 2.72 6.06 -1.24 -4.82 118.95 123.95 1g4a s ARG 35 Ca -0.09 -1.14 0.06 0.00 -2.50 0.00 0.00 55.73 52.07 1g4a s ARG 35 Cb -0.10 0.37 -0.01 0.00 0.06 0.00 0.00 34.95 35.26 1g4a s ARG 35 CO -0.08 -0.39 -0.22 -0.98 -2.50 0.00 0.00 175.30 171.13 1g4a s ARG 36 N -3.95 1.99 -1.15 5.12 1.70 -1.26 -3.07 118.95 118.32 1g4a s ARG 36 Ca 0.15 -0.80 -0.24 0.00 -0.47 0.00 0.00 55.73 54.37 1g4a s ARG 36 Cb 0.04 -1.83 -0.14 0.00 -0.57 0.00 0.00 34.95 32.45 1g4a s ARG 36 CO -0.02 0.43 1.99 1.28 -1.08 0.00 0.00 175.30 177.90 1g4a n LEU 37 N 2.71 2.54 0.00 -1.89 4.77 -0.92 -4.70 117.00 119.50 1g4a n LEU 37 Ca -0.16 -2.96 0.00 0.00 -0.03 0.00 0.00 56.01 52.86 1g4a n LEU 37 Cb 0.52 -1.73 0.00 0.00 -2.33 0.00 0.00 43.42 39.88 1g4a n LEU 37 CO 0.24 -2.40 0.14 0.00 -1.33 0.00 0.00 177.39 174.04 1g4a n TYR 38 N 16.11 0.00 -1.49 -1.77 -0.00 -1.26 -4.26 117.16 124.49 1g4a n TYR 38 Ca 0.44 0.00 -0.14 0.00 -0.00 0.00 0.00 57.90 58.20 1g4a n TYR 38 Cb 0.47 0.00 -0.11 0.00 -0.00 0.00 0.00 39.34 39.70 1g4a n TYR 38 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 176.86 176.95 1g4a n ASN 39 N -0.47 0.99 0.00 2.98 3.02 -1.26 -4.49 115.26 116.03 1g4a n ASN 39 Ca 0.00 -2.38 0.00 0.00 -0.03 0.00 0.00 54.58 52.17 1g4a n ASN 39 Cb 0.14 -1.58 0.00 0.00 -0.61 0.00 0.00 39.78 37.72 1g4a n ASN 39 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g4a n ASP 40 N 18.23 0.00 -2.52 6.41 10.43 -1.26 -4.49 116.55 143.34 1g4a n ASP 40 Ca 0.37 0.00 -0.06 0.00 2.57 0.00 0.00 54.79 57.67 1g4a n ASP 40 Cb 0.47 0.00 -0.01 0.00 1.84 0.00 0.00 41.12 43.42 1g4a n ASP 40 CO 0.00 0.00 0.00 0.29 -1.07 0.00 0.00 177.20 176.42 1g4a n LYS 41 N 0.00 1.71 -0.13 -1.24 4.76 -1.26 -5.03 118.16 116.97 1g4a n LYS 41 Ca 0.00 -0.72 0.00 0.00 -2.87 0.00 0.00 58.31 54.72 1g4a n LYS 41 Cb 0.00 0.18 0.00 0.00 -1.84 0.00 0.00 35.03 33.37 1g4a n LYS 41 CO 0.00 0.00 0.00 0.28 -1.37 0.00 0.00 177.40 176.31 1g4a n VAL 42 N -0.30 -0.14 -3.26 -0.18 0.31 -1.16 -4.71 118.33 108.89 1g4a n VAL 42 Ca -0.04 0.00 -0.39 0.00 -0.01 0.00 0.00 64.34 63.91 1g4a n VAL 42 Cb 0.12 -0.32 -0.06 0.00 -0.91 0.00 0.00 33.84 32.68 1g4a n VAL 42 CO 0.00 0.00 0.00 -0.63 -1.32 0.00 0.00 176.83 174.88 1g4a s ILE 43 N -0.82 4.85 0.29 2.52 1.01 -0.54 -2.17 121.20 126.35 1g4a s ILE 43 Ca 0.00 1.20 0.02 0.00 0.00 0.00 0.00 60.65 61.87 1g4a s ILE 43 Cb 0.00 -3.90 -0.05 0.00 0.01 0.00 0.00 42.46 38.52 1g4a s ILE 43 CO 0.00 0.48 0.11 0.00 0.00 0.00 0.00 174.94 175.53 1g4a s ALA 44 N -0.61 1.97 0.02 9.38 0.00 -1.18 0.71 121.76 132.04 1g4a s ALA 44 Ca 0.29 -1.82 0.00 0.00 0.00 0.00 0.00 51.96 50.43 1g4a s ALA 44 Cb -0.19 0.99 -0.00 0.00 0.00 0.00 0.00 23.12 23.92 1g4a s ALA 44 CO 0.18 -0.44 0.01 0.41 0.00 0.00 0.00 175.76 175.92 1g4a n GLY 45 N -0.56 4.04 3.53 0.00 0.00 -1.02 -3.70 105.19 107.49 1g4a n GLY 45 Ca -0.01 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.06 1g4a n GLY 45 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 1g4a s PHE 46 N -1.76 -0.81 -0.41 1.61 -0.12 -1.20 -3.37 117.98 111.91 1g4a s PHE 46 Ca 0.01 1.79 0.02 0.00 -0.05 0.00 0.00 56.93 58.70 1g4a s PHE 46 Cb 0.00 0.39 0.13 0.00 -0.63 0.00 0.00 43.02 42.90 1g4a s PHE 46 CO 0.01 -0.41 0.20 0.00 -0.05 0.00 0.00 175.22 174.97 1g4a s ALA 47 N 0.96 2.06 0.00 1.99 0.00 -1.26 -4.84 121.76 120.67 1g4a s ALA 47 Ca -0.05 -2.39 0.00 0.00 0.00 0.00 0.00 51.96 49.51 1g4a s ALA 47 Cb -0.05 -1.84 0.00 0.00 0.00 0.00 0.00 23.12 21.23 1g4a s ALA 47 CO -0.09 -1.96 0.00 0.41 0.00 0.00 0.00 175.76 174.12 1g4a n GLY 48 N 3.86 0.59 3.41 0.00 0.00 -1.26 -4.18 105.19 107.61 1g4a n GLY 48 Ca 0.06 -1.59 -0.48 0.00 0.00 0.00 0.00 46.02 44.01 1g4a n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g4a n GLY 49 N 0.00 -1.70 0.09 -0.02 0.00 -1.24 -4.83 105.19 97.49 1g4a n GLY 49 Ca 0.00 0.34 -0.04 0.00 0.00 0.00 0.00 46.02 46.32 1g4a n GLY 49 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1g4a h THR 50 N 1.04 1.14 0.00 2.61 2.02 -1.99 -3.25 112.91 114.48 1g4a h THR 50 Ca -0.28 -2.76 0.00 0.00 0.77 0.00 0.00 66.41 64.13 1g4a h THR 50 Cb 1.44 2.53 0.00 0.00 -1.74 0.00 0.00 68.15 70.38 1g4a h THR 50 CO 0.57 0.65 0.00 0.00 0.37 0.00 0.00 175.52 177.11 1g4a n ALA 51 N -2.37 0.00 -0.26 6.16 0.00 -1.26 -3.96 120.51 118.82 1g4a n ALA 51 Ca -0.04 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.34 1g4a n ALA 51 Cb 0.90 0.00 -0.00 0.00 0.00 0.00 0.00 19.45 20.35 1g4a n ALA 51 CO 0.00 0.00 0.00 0.38 0.00 0.00 0.00 177.50 177.88 1g4a h ASP 52 N 0.00 -1.39 -0.15 0.00 -0.00 -1.96 -2.34 116.42 110.58 1g4a h ASP 52 Ca 0.00 0.26 0.06 0.00 -0.00 0.00 0.00 57.03 57.35 1g4a h ASP 52 Cb 0.00 0.68 -0.02 0.00 -0.00 0.00 0.00 39.33 39.99 1g4a h ASP 52 CO 0.00 -0.31 0.09 0.00 -0.00 0.00 0.00 179.24 179.03 1g4a n ALA 53 N -3.24 0.15 -0.22 4.15 0.00 -1.23 0.36 120.51 120.49 1g4a n ALA 53 Ca 0.05 0.12 -0.08 0.00 0.00 0.00 0.00 53.44 53.53 1g4a n ALA 53 Cb 0.36 -0.13 0.03 0.00 0.00 0.00 0.00 19.45 19.71 1g4a n ALA 53 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1g4a h PHE 54 N 0.00 0.97 -0.02 0.00 3.57 -1.54 -3.20 116.94 116.72 1g4a h PHE 54 Ca 0.11 -0.10 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1g4a h PHE 54 Cb 0.33 -0.28 -0.06 0.00 2.79 0.00 0.00 35.95 38.73 1g4a h PHE 54 CO -0.00 0.80 -0.38 1.79 -2.23 0.00 0.00 178.31 178.29 1g4a h THR 55 N 0.86 0.21 0.00 4.41 1.35 0.62 0.57 112.91 120.93 1g4a h THR 55 Ca 0.20 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 66.06 1g4a h THR 55 Cb 0.29 0.21 0.00 0.00 -1.73 0.00 0.00 68.15 66.91 1g4a h THR 55 CO -0.01 0.00 0.00 0.18 -0.25 0.00 0.00 175.52 175.44 1g4a n LEU 56 N -5.44 0.00 -0.09 3.87 4.32 -1.22 -0.88 117.00 117.55 1g4a n LEU 56 Ca -0.05 0.00 -0.17 0.00 -0.02 0.00 0.00 56.01 55.77 1g4a n LEU 56 Cb 0.35 0.00 -0.09 0.00 -1.62 0.00 0.00 43.42 42.06 1g4a n LEU 56 CO 0.17 0.00 -0.44 0.15 -1.22 0.00 0.00 177.39 176.05 1g4a h PHE 57 N 0.00 0.00 0.00 -1.77 3.57 0.14 -3.33 116.94 115.55 1g4a h PHE 57 Ca 0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 1g4a h PHE 57 Cb 0.00 0.00 -0.02 0.00 2.79 0.00 0.00 35.95 38.72 1g4a h PHE 57 CO 0.00 1.09 -0.69 1.05 -2.23 0.00 0.00 178.31 177.54 1g4a h GLU 58 N -1.00 0.00 -0.38 1.11 -0.00 -1.10 -3.07 114.58 110.14 1g4a h GLU 58 Ca -0.25 0.00 0.05 0.00 -0.00 0.00 0.00 59.36 59.16 1g4a h GLU 58 Cb 1.08 0.00 -0.08 0.00 -0.00 0.00 0.00 28.75 29.75 1g4a h GLU 58 CO -0.15 0.69 -0.53 1.25 -0.00 0.00 0.00 179.01 180.27 1g4a h LEU 59 N 0.00 -1.77 0.00 3.06 5.85 -1.19 -1.89 115.31 119.37 1g4a h LEU 59 Ca -0.01 0.23 0.00 0.00 0.84 0.00 0.00 57.88 58.94 1g4a h LEU 59 Cb 1.48 0.73 0.00 0.00 0.37 0.00 0.00 40.66 43.23 1g4a h LEU 59 CO 0.09 -0.38 0.00 0.49 -0.34 0.00 0.00 178.44 178.29 1g4a n PHE 60 N -5.23 0.00 0.00 1.25 3.01 -1.23 -3.19 117.46 112.06 1g4a n PHE 60 Ca -0.03 0.00 0.00 0.00 1.01 0.00 0.00 57.45 58.43 1g4a n PHE 60 Cb 0.32 -0.23 0.00 0.00 -0.01 0.00 0.00 39.48 39.56 1g4a n PHE 60 CO 0.00 0.00 0.00 -1.91 1.01 0.00 0.00 176.76 175.86 1g4a n GLU 61 N -1.42 0.00 -0.07 -1.08 2.13 -0.74 0.36 120.64 119.82 1g4a n GLU 61 Ca 0.00 0.00 -0.10 0.00 0.66 0.00 0.00 57.16 57.72 1g4a n GLU 61 Cb 0.00 0.00 -0.09 0.00 0.27 0.00 0.00 31.44 31.62 1g4a n GLU 61 CO 0.00 0.00 0.00 0.07 -0.41 0.00 0.00 177.13 176.79 1g4a h ARG 62 N 0.00 0.00 -1.03 5.31 0.11 -1.44 -3.34 114.38 114.00 1g4a h ARG 62 Ca 0.00 0.00 0.29 0.00 0.10 0.00 0.00 59.98 60.37 1g4a h ARG 62 Cb 0.00 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.03 1g4a h ARG 62 CO 0.00 0.73 0.72 0.87 0.10 0.00 0.00 179.97 182.39 1g4a h LYS 63 N -1.00 0.08 0.00 0.08 1.79 -0.14 -3.03 116.57 114.36 1g4a h LYS 63 Ca -0.00 -0.00 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1g4a h LYS 63 Cb 0.73 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 31.37 1g4a h LYS 63 CO -0.00 0.05 0.00 1.28 -1.08 0.00 0.00 179.45 179.70 1g4a n LEU 64 N -4.30 0.00 -0.05 2.94 7.99 -1.14 0.62 117.00 123.06 1g4a n LEU 64 Ca 0.22 0.92 0.13 0.00 -0.01 0.00 0.00 56.01 57.27 1g4a n LEU 64 Cb 1.04 -0.42 0.54 0.00 -0.11 0.00 0.00 43.42 44.47 1g4a n LEU 64 CO 0.37 -0.42 1.18 1.05 -1.51 0.00 0.00 177.39 178.06 1g4a h GLU 65 N 0.00 0.31 -0.04 3.23 9.09 -1.72 3.49 114.58 128.95 1g4a h GLU 65 Ca 0.00 -0.02 -0.03 0.00 0.05 0.00 0.00 59.36 59.36 1g4a h GLU 65 Cb 0.00 -0.07 0.00 0.00 -1.65 0.00 0.00 28.75 27.03 1g4a h GLU 65 CO 0.00 0.21 -0.11 0.00 0.05 0.00 0.00 179.01 179.16 1g4a h MET 66 N 0.32 0.15 -0.90 1.06 -0.00 -1.51 -1.17 114.93 112.87 1g4a h MET 66 Ca 0.26 -0.10 -0.06 0.00 -0.00 0.00 0.00 59.70 59.80 1g4a h MET 66 Cb 0.59 0.02 -0.04 0.00 -0.00 0.00 0.00 31.60 32.17 1g4a h MET 66 CO -0.06 0.71 0.08 0.72 -0.00 0.00 0.00 176.91 178.35 1g4a n HIS 67 N -4.66 0.85 -0.43 -0.10 8.25 0.20 -4.95 115.22 114.38 1g4a n HIS 67 Ca -0.08 -0.49 0.00 0.00 -0.26 0.00 0.00 57.72 56.89 1g4a n HIS 67 Cb 0.36 -0.33 0.00 0.00 1.12 0.00 0.00 29.99 31.15 1g4a n HIS 67 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1g4a n GLN 68 N 0.12 0.00 0.00 -0.41 7.27 1.15 -1.13 117.38 124.38 1g4a n GLN 68 Ca 0.13 0.00 0.00 0.00 0.07 0.00 0.00 57.00 57.20 1g4a n GLN 68 Cb 0.69 0.00 0.00 0.00 2.41 0.00 0.00 30.24 33.34 1g4a n GLN 68 CO 0.00 0.00 0.00 0.41 0.07 0.00 0.00 177.06 177.54 1g4a n GLY 69 N 0.32 0.49 2.81 1.69 0.00 -0.80 -4.81 105.19 104.90 1g4a n GLY 69 Ca 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.69 1g4a n GLY 69 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 1g4a n HIS 70 N -1.31 1.79 -0.04 1.61 8.25 -0.28 -4.79 115.22 120.45 1g4a n HIS 70 Ca 0.00 -2.03 -0.01 0.00 -0.26 0.00 0.00 57.72 55.42 1g4a n HIS 70 Cb 0.00 -1.79 -0.01 0.00 1.12 0.00 0.00 29.99 29.31 1g4a n HIS 70 CO 0.00 0.00 0.00 -0.11 0.64 0.00 0.00 176.34 176.87 1g4a n LEU 71 N 5.68 -0.11 -0.29 2.41 0.00 -1.26 0.26 117.00 123.69 1g4a n LEU 71 Ca 0.49 0.67 -0.02 0.00 0.00 0.00 0.00 56.01 57.15 1g4a n LEU 71 Cb 0.27 -0.27 0.03 0.00 0.00 0.00 0.00 43.42 43.45 1g4a n LEU 71 CO 0.87 -0.39 0.62 0.58 0.00 0.00 0.00 177.39 179.07 1g4a h VAL 72 N 0.00 0.10 0.00 1.96 2.07 -1.96 1.08 116.25 119.50 1g4a h VAL 72 Ca 0.02 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.54 1g4a h VAL 72 Cb 0.04 0.10 0.00 0.00 -1.52 0.00 0.00 31.29 29.91 1g4a h VAL 72 CO -0.09 0.00 0.00 0.29 0.02 0.00 0.00 177.57 177.79 1g4a n LYS 73 N -5.46 0.00 -0.01 1.57 4.01 0.14 -2.65 118.16 115.76 1g4a n LYS 73 Ca 0.08 0.00 -0.02 0.00 -0.51 0.00 0.00 58.31 57.86 1g4a n LYS 73 Cb 0.38 -1.00 -0.01 0.00 -0.51 0.00 0.00 35.03 33.90 1g4a n LYS 73 CO 0.00 0.00 0.00 0.00 -1.11 0.00 0.00 177.40 176.29 1g4a n ALA 74 N -0.03 1.65 -0.47 7.82 0.00 0.37 -4.56 120.51 125.29 1g4a n ALA 74 Ca 0.00 -0.24 0.42 0.00 0.00 0.00 0.00 53.44 53.62 1g4a n ALA 74 Cb 0.00 0.05 0.69 0.00 0.00 0.00 0.00 19.45 20.20 1g4a n ALA 74 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1g4a h ALA 75 N -0.82 3.42 -1.07 0.00 0.00 -1.52 1.95 119.26 121.21 1g4a h ALA 75 Ca 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.86 1g4a h ALA 75 Cb 0.19 0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1g4a h ALA 75 CO 0.00 -2.01 0.00 0.28 0.00 0.00 0.00 179.25 177.52 1g4a n VAL 76 N -3.75 0.00 0.91 0.00 0.31 -1.24 -1.71 118.33 112.86 1g4a n VAL 76 Ca 0.34 1.28 0.03 0.00 -0.01 0.00 0.00 64.34 65.98 1g4a n VAL 76 Cb 1.70 -2.27 0.12 0.00 -0.91 0.00 0.00 33.84 32.47 1g4a n VAL 76 CO 0.00 0.00 0.00 1.21 -1.32 0.00 0.00 176.83 176.72 1g4a n GLU 77 N -1.46 1.83 0.00 5.55 0.00 0.49 -3.71 120.64 123.34 1g4a n GLU 77 Ca 0.00 -0.92 0.00 0.00 0.00 0.00 0.00 57.16 56.24 1g4a n GLU 77 Cb 0.00 -1.40 0.00 0.00 0.00 0.00 0.00 31.44 30.04 1g4a n GLU 77 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.13 177.02 1g4a n LEU 78 N 0.20 0.00 -0.20 4.31 0.00 0.63 -4.79 117.00 117.15 1g4a n LEU 78 Ca 0.08 0.00 0.07 0.00 0.00 0.00 0.00 56.01 56.16 1g4a n LEU 78 Cb 0.34 0.00 0.14 0.00 0.00 0.00 0.00 43.42 43.90 1g4a n LEU 78 CO 0.07 0.00 0.44 0.00 0.00 0.00 0.00 177.39 177.90 1g4a n ALA 79 N -2.78 0.24 -0.34 1.96 0.00 -0.93 0.17 120.51 118.83 1g4a n ALA 79 Ca 0.00 0.63 0.24 0.00 0.00 0.00 0.00 53.44 54.32 1g4a n ALA 79 Cb 0.00 -0.43 0.48 0.00 0.00 0.00 0.00 19.45 19.50 1g4a n ALA 79 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.50 178.37 1g4a h LYS 80 N 0.00 0.30 0.00 0.00 1.57 -1.41 -2.05 116.57 114.99 1g4a h LYS 80 Ca 0.33 -0.02 0.00 0.00 -1.87 0.00 0.00 60.65 59.09 1g4a h LYS 80 Cb 0.62 -0.07 0.00 0.00 0.08 0.00 0.00 32.23 32.86 1g4a h LYS 80 CO -0.57 0.20 0.00 -0.25 -0.57 0.00 0.00 179.45 178.26 1g4a n ASP 81 N -5.04 0.00 -0.02 0.86 8.00 0.45 -0.95 116.55 119.86 1g4a n ASP 81 Ca 0.32 0.00 -0.02 0.00 0.71 0.00 0.00 54.79 55.80 1g4a n ASP 81 Cb 1.00 0.00 -0.01 0.00 -0.02 0.00 0.00 41.12 42.10 1g4a n ASP 81 CO 0.00 0.00 0.00 1.87 -0.39 0.00 0.00 177.20 178.68 1g4a n TRP 82 N -0.36 0.00 -2.27 1.24 -0.00 -0.77 -3.86 117.44 111.41 1g4a n TRP 82 Ca 0.00 0.00 -0.42 0.00 -0.00 0.00 0.00 57.50 57.08 1g4a n TRP 82 Cb 0.00 -0.10 -0.03 0.00 -0.00 0.00 0.00 31.31 31.18 1g4a n TRP 82 CO 0.00 0.00 0.00 0.50 -0.00 0.00 0.00 177.69 178.19 1g4a s ARG 83 N -1.42 4.33 0.76 5.87 6.06 -0.12 -4.42 118.95 130.00 1g4a s ARG 83 Ca -0.06 1.93 0.00 0.00 -2.50 0.00 0.00 55.73 55.10 1g4a s ARG 83 Cb 0.01 -3.42 0.00 0.00 0.06 0.00 0.00 34.95 31.59 1g4a s ARG 83 CO 0.09 -0.45 0.00 2.41 -2.50 0.00 0.00 175.30 174.85 1g4a n THR 84 N 4.28 0.00 0.00 4.11 -1.04 -1.26 -4.85 114.28 115.52 1g4a n THR 84 Ca 0.11 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.12 1g4a n THR 84 Cb 0.44 -0.32 0.00 0.00 -1.82 0.00 0.00 70.33 68.63 1g4a n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1g4a n ASP 85 N -3.53 0.00 0.00 8.00 8.00 -1.26 -4.53 116.55 123.22 1g4a n ASP 85 Ca 0.01 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.51 1g4a n ASP 85 Cb 0.42 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.52 1g4a n ASP 85 CO 0.00 0.00 0.00 0.54 -0.39 0.00 0.00 177.20 177.35 1g4a n ARG 86 N 0.00 0.00 0.00 -1.24 5.12 -1.26 -4.98 116.66 114.30 1g4a n ARG 86 Ca 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 57.85 55.92 1g4a n ARG 86 Cb 0.00 -0.94 0.00 0.00 -1.16 0.00 0.00 32.46 30.36 1g4a n ARG 86 CO 0.00 0.00 0.00 -1.33 -1.93 0.00 0.00 177.63 174.37 1g4a n MET 87 N -2.00 0.00 -3.56 5.56 2.81 -1.25 -4.91 117.12 113.77 1g4a n MET 87 Ca 0.00 0.33 0.00 0.00 -1.81 0.00 0.00 57.70 56.23 1g4a n MET 87 Cb 0.00 -1.23 -0.06 0.00 -0.71 0.00 0.00 33.22 31.23 1g4a n MET 87 CO 0.00 0.00 0.00 -1.17 1.51 0.00 0.00 175.97 176.31 1g4a s LEU 88 N -2.67 -0.34 0.00 4.03 2.96 -1.26 -5.12 118.68 116.29 1g4a s LEU 88 Ca 0.00 0.52 0.02 0.00 -0.22 0.00 0.00 54.13 54.44 1g4a s LEU 88 Cb 0.00 1.46 -0.01 0.00 0.50 0.00 0.00 46.19 48.14 1g4a s LEU 88 CO 0.00 -0.08 0.06 -1.14 -1.32 0.00 0.00 176.35 173.87 1g4a n ARG 89 N 3.82 0.92 -2.61 1.98 0.63 -1.26 -4.68 116.66 115.45 1g4a n ARG 89 Ca -0.15 -2.11 -0.12 0.00 -0.92 0.00 0.00 57.85 54.55 1g4a n ARG 89 Cb 0.56 0.93 0.02 0.00 0.45 0.00 0.00 32.46 34.42 1g4a n ARG 89 CO 0.00 0.00 0.00 1.63 -2.51 0.00 0.00 177.63 176.75 1g4a n LYS 90 N -0.62 -2.46 -3.25 -0.14 5.02 -1.26 -5.03 118.16 110.42 1g4a n LYS 90 Ca -0.07 0.51 -0.15 0.00 -2.02 0.00 0.00 58.31 56.58 1g4a n LYS 90 Cb 0.37 -4.54 -0.03 0.00 -0.02 0.00 0.00 35.03 30.81 1g4a n LYS 90 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 1g4a n LEU 91 N -2.23 0.00 -3.36 -0.35 4.32 -1.26 -5.16 117.00 108.96 1g4a n LEU 91 Ca -0.07 -1.50 -0.11 0.00 -0.02 0.00 0.00 56.01 54.31 1g4a n LEU 91 Cb 0.57 0.20 -0.08 0.00 -1.62 0.00 0.00 43.42 42.50 1g4a n LEU 91 CO 0.25 -0.22 -0.08 -1.83 -1.22 0.00 0.00 177.39 174.29 1g4a s GLU 92 N -2.85 0.35 0.02 3.23 1.03 -1.26 -5.01 118.70 114.20 1g4a s GLU 92 Ca 0.01 0.36 -0.28 0.00 0.03 0.00 0.00 54.97 55.08 1g4a s GLU 92 Cb 0.00 -0.51 0.10 0.00 -0.80 0.00 0.00 34.13 32.91 1g4a s GLU 92 CO 0.01 -0.77 0.94 0.00 -1.33 0.00 0.00 175.26 174.11 1g4a s ALA 93 N 2.51 -1.82 -0.40 -0.84 0.00 -1.26 -3.64 121.76 116.32 1g4a s ALA 93 Ca 0.11 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.98 1g4a s ALA 93 Cb -0.15 0.43 0.22 0.00 0.00 0.00 0.00 23.12 23.63 1g4a s ALA 93 CO -0.20 -0.78 0.46 1.28 0.00 0.00 0.00 175.76 176.52 1g4a n LEU 94 N -0.29 0.01 -4.55 0.00 4.32 -1.26 -3.60 117.00 111.63 1g4a n LEU 94 Ca -0.08 -4.60 -0.33 0.00 -0.02 0.00 0.00 56.01 50.99 1g4a n LEU 94 Cb 0.61 0.59 -0.04 0.00 -1.62 0.00 0.00 43.42 42.96 1g4a n LEU 94 CO 0.11 2.00 1.83 -0.76 -1.22 0.00 0.00 177.39 179.35 1g4a s LEU 95 N -0.79 3.31 -1.08 2.23 2.01 -1.25 -4.28 118.68 118.83 1g4a s LEU 95 Ca 0.34 0.78 -0.18 0.00 0.01 0.00 0.00 54.13 55.09 1g4a s LEU 95 Cb 0.13 -2.51 0.13 0.00 0.01 0.00 0.00 46.19 43.94 1g4a s LEU 95 CO -0.14 -2.95 1.35 0.00 1.01 0.00 0.00 176.35 175.62 1g4a s ALA 96 N 12.09 3.48 0.93 4.21 0.00 -1.22 -4.47 121.76 136.77 1g4a s ALA 96 Ca 0.92 -2.91 -0.15 0.00 0.00 0.00 0.00 51.96 49.82 1g4a s ALA 96 Cb -0.15 -4.22 0.16 0.00 0.00 0.00 0.00 23.12 18.91 1g4a s ALA 96 CO 0.22 -3.04 1.25 0.14 0.00 0.00 0.00 175.76 174.32 1g4a s VAL 97 N 2.83 1.97 -0.30 0.00 -7.23 -1.24 -2.44 120.40 114.00 1g4a s VAL 97 Ca 0.41 0.00 -0.16 0.00 -1.81 0.00 0.00 61.98 60.41 1g4a s VAL 97 Cb -0.02 -2.94 0.18 0.00 0.56 0.00 0.00 36.38 34.15 1g4a s VAL 97 CO -0.04 0.00 1.15 0.00 -0.31 0.00 0.00 175.10 175.90 1g4a s ALA 98 N -3.67 -3.40 0.00 1.32 0.00 0.22 -3.47 121.76 112.76 1g4a s ALA 98 Ca 0.69 1.59 0.00 0.00 0.00 0.00 0.00 51.96 54.24 1g4a s ALA 98 Cb -0.08 -2.41 0.00 0.00 0.00 0.00 0.00 23.12 20.64 1g4a s ALA 98 CO 0.52 -1.26 0.00 -3.47 0.00 0.00 0.00 175.76 171.55 1g4a n ASP 99 N 5.15 0.00 -0.51 0.00 2.03 -1.23 -1.47 116.55 120.52 1g4a n ASP 99 Ca -0.08 0.00 0.07 0.00 0.52 0.00 0.00 54.79 55.30 1g4a n ASP 99 Cb 0.54 0.00 0.14 0.00 -0.72 0.00 0.00 41.12 41.09 1g4a n ASP 99 CO 0.00 0.00 0.00 -1.84 -1.92 0.00 0.00 177.20 173.44 1g4a n GLU 100 N 0.00 1.14 0.01 -0.67 0.28 -1.26 -4.57 120.64 115.57 1g4a n GLU 100 Ca 0.00 -2.67 -0.01 0.00 -0.16 0.00 0.00 57.16 54.32 1g4a n GLU 100 Cb 0.00 -1.28 -0.00 0.00 1.43 0.00 0.00 31.44 31.59 1g4a n GLU 100 CO 0.00 0.00 0.00 2.41 -0.16 0.00 0.00 177.13 179.38 1g4a n THR 101 N -0.93 0.56 -3.66 3.84 -1.04 -1.26 -5.07 114.28 106.72 1g4a n THR 101 Ca 0.15 0.15 -0.07 0.00 -2.04 0.00 0.00 64.05 62.23 1g4a n THR 101 Cb 0.73 -1.56 -0.02 0.00 -1.82 0.00 0.00 70.33 67.66 1g4a n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4a s ALA 102 N -2.03 -1.55 -0.20 2.41 0.00 -1.26 -5.15 121.76 113.98 1g4a s ALA 102 Ca -0.02 0.25 -0.01 0.00 0.00 0.00 0.00 51.96 52.19 1g4a s ALA 102 Cb 0.01 0.72 0.01 0.00 0.00 0.00 0.00 23.12 23.86 1g4a s ALA 102 CO 0.02 -0.91 -0.14 -1.12 0.00 0.00 0.00 175.76 173.62 1g4a s SER 103 N -2.80 3.65 0.24 0.00 0.01 -1.26 -3.52 113.70 110.01 1g4a s SER 103 Ca 0.08 -0.61 0.02 0.00 1.31 0.00 0.00 55.95 56.75 1g4a s SER 103 Cb -0.03 -1.58 0.02 0.00 0.21 0.00 0.00 66.02 64.65 1g4a s SER 103 CO -0.02 -0.02 0.20 0.18 0.41 0.00 0.00 173.24 173.98 1g4a n LEU 104 N 4.67 0.00 -3.66 2.44 4.77 -1.23 -4.48 117.00 119.51 1g4a n LEU 104 Ca -0.19 -1.23 -0.09 0.00 -0.03 0.00 0.00 56.01 54.47 1g4a n LEU 104 Cb 0.50 -0.04 -0.08 0.00 -2.33 0.00 0.00 43.42 41.47 1g4a n LEU 104 CO 0.27 -0.42 0.26 -0.63 -1.33 0.00 0.00 177.39 175.53 1g4a s ILE 105 N -1.10 -0.01 -0.27 -0.08 1.01 -0.78 -4.27 121.20 115.70 1g4a s ILE 105 Ca 0.15 0.03 -0.01 0.00 0.00 0.00 0.00 60.65 60.81 1g4a s ILE 105 Cb -0.01 -0.86 0.04 0.00 0.01 0.00 0.00 42.46 41.64 1g4a s ILE 105 CO 0.10 0.01 -0.04 -0.63 0.00 0.00 0.00 174.94 174.38 1g4a s ILE 106 N 1.31 2.86 -2.00 2.92 1.09 -1.26 -0.45 121.20 125.68 1g4a s ILE 106 Ca -0.08 -1.24 0.00 0.00 -1.10 0.00 0.00 60.65 58.24 1g4a s ILE 106 Cb -0.06 -2.56 0.01 0.00 -1.06 0.00 0.00 42.46 38.79 1g4a s ILE 106 CO -0.14 0.04 0.13 0.35 -0.10 0.00 0.00 174.94 175.22 1g4a n THR 107 N 4.63 0.00 0.00 2.92 -2.24 -1.26 -4.38 114.28 113.95 1g4a n THR 107 Ca -0.15 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.63 1g4a n THR 107 Cb 0.45 -0.55 0.00 0.00 -2.10 0.00 0.00 70.33 68.13 1g4a n THR 107 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1g4a n GLY 108 N -0.51 3.14 2.00 3.38 0.00 -1.24 -4.81 105.19 107.15 1g4a n GLY 108 Ca 0.00 -0.96 -0.10 0.00 0.00 0.00 0.00 46.02 44.97 1g4a n GLY 108 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4a n ASN 109 N 0.69 4.74 -0.88 1.61 5.03 -1.26 -4.63 115.26 120.56 1g4a n ASN 109 Ca 0.00 -2.37 -0.10 0.00 0.87 0.00 0.00 54.58 52.98 1g4a n ASN 109 Cb 0.00 -1.26 -0.04 0.00 -1.02 0.00 0.00 39.78 37.46 1g4a n ASN 109 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1g4a n GLY 110 N 2.45 0.93 0.00 7.41 0.00 -1.26 -4.56 105.19 110.17 1g4a n GLY 110 Ca 0.35 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.37 1g4a n GLY 110 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1g4a n ASP 111 N -0.58 -0.72 0.00 1.61 -0.08 -1.26 -4.57 116.55 110.95 1g4a n ASP 111 Ca -0.10 -0.31 0.00 0.00 -1.51 0.00 0.00 54.79 52.87 1g4a n ASP 111 Cb 0.48 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.94 1g4a n ASP 111 CO 0.00 0.00 0.00 0.55 0.12 0.00 0.00 177.20 177.87 1g4a n VAL 112 N -1.88 0.00 -4.48 5.18 3.14 -1.15 -4.52 118.33 114.62 1g4a n VAL 112 Ca 0.00 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.09 1g4a n VAL 112 Cb 0.00 0.00 -0.13 0.00 -1.06 0.00 0.00 33.84 32.65 1g4a n VAL 112 CO 0.00 0.00 0.00 0.68 -6.46 0.00 0.00 176.83 171.05 1g4a s VAL 113 N 0.00 2.26 -0.16 1.55 -7.23 0.41 -4.90 120.40 112.33 1g4a s VAL 113 Ca 0.00 -1.68 -0.01 0.00 -1.81 0.00 0.00 61.98 58.48 1g4a s VAL 113 Cb 0.00 -1.98 0.04 0.00 0.56 0.00 0.00 36.38 35.00 1g4a s VAL 113 CO 0.00 0.14 -0.02 -1.58 -0.31 0.00 0.00 175.10 173.33 1g4a s GLN 114 N -1.91 1.12 0.08 4.82 0.74 -1.26 -1.86 119.66 121.38 1g4a s GLN 114 Ca 0.14 -0.42 -0.37 0.00 0.05 0.00 0.00 55.36 54.76 1g4a s GLN 114 Cb -0.10 -1.90 -0.18 0.00 1.10 0.00 0.00 33.01 31.93 1g4a s GLN 114 CO 0.05 -0.47 1.10 -2.30 -0.55 0.00 0.00 175.29 173.12 1g4a n PRO 115 N 4.95 0.52 0.32 1.67 -0.02 -1.26 -4.78 135.00 136.40 1g4a n PRO 115 Ca -0.10 0.19 0.05 0.00 -2.02 0.00 0.00 63.50 61.61 1g4a n PRO 115 Cb 0.48 -1.67 0.26 0.00 -0.02 0.00 0.00 33.50 32.55 1g4a n PRO 115 CO 0.00 0.00 0.00 1.49 1.98 0.00 0.00 175.50 178.97 1g4a h GLU 116 N 3.26 0.00 0.00 -0.52 4.81 -2.00 0.49 114.58 120.62 1g4a h GLU 116 Ca -0.46 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 58.77 1g4a h GLU 116 Cb 1.39 0.00 0.00 0.00 0.63 0.00 0.00 28.75 30.77 1g4a h GLU 116 CO 0.68 0.00 -0.30 0.09 -0.73 0.00 0.00 179.01 178.75 1g4a n ASN 117 N -2.57 0.00 0.00 1.04 3.02 -1.26 -5.00 115.26 110.48 1g4a n ASN 117 Ca -0.01 -1.61 0.00 0.00 -0.03 0.00 0.00 54.58 52.94 1g4a n ASN 117 Cb 0.78 -0.12 0.00 0.00 -0.61 0.00 0.00 39.78 39.83 1g4a n ASN 117 CO 0.00 0.00 0.00 0.47 -2.62 0.00 0.00 177.26 175.11 1g4a n ASP 118 N 0.00 -3.41 -4.60 6.41 10.43 0.17 -4.90 116.55 120.65 1g4a n ASP 118 Ca 0.00 0.00 -0.43 0.00 2.57 0.00 0.00 54.79 56.93 1g4a n ASP 118 Cb 0.62 -1.41 -0.02 0.00 1.84 0.00 0.00 41.12 42.15 1g4a n ASP 118 CO 0.00 0.00 0.00 -0.22 -1.07 0.00 0.00 177.20 175.91 1g4a s LEU 119 N 0.00 3.70 -0.16 0.64 2.96 -1.26 -4.54 118.68 120.02 1g4a s LEU 119 Ca 0.00 0.54 -0.14 0.00 -0.22 0.00 0.00 54.13 54.31 1g4a s LEU 119 Cb 0.00 -3.52 -0.05 0.00 0.50 0.00 0.00 46.19 43.12 1g4a s LEU 119 CO 0.00 -1.18 0.29 -0.63 -1.32 0.00 0.00 176.35 173.51 1g4a s ILE 120 N 4.28 5.31 -0.26 6.68 1.01 -1.09 -4.70 121.20 132.43 1g4a s ILE 120 Ca 0.47 0.55 -0.03 0.00 0.00 0.00 0.00 60.65 61.63 1g4a s ILE 120 Cb -0.08 -3.63 0.10 0.00 0.01 0.00 0.00 42.46 38.86 1g4a s ILE 120 CO 0.29 0.38 0.18 0.00 0.00 0.00 0.00 174.94 175.79 1g4a s ALA 121 N 0.51 0.21 0.38 9.38 0.00 -1.26 -2.53 121.76 128.44 1g4a s ALA 121 Ca 0.16 -0.61 0.04 0.00 0.00 0.00 0.00 51.96 51.55 1g4a s ALA 121 Cb -0.13 -1.43 -0.05 0.00 0.00 0.00 0.00 23.12 21.51 1g4a s ALA 121 CO 0.04 -1.54 0.07 0.96 0.00 0.00 0.00 175.76 175.29 1g4a s ILE 122 N 2.20 1.05 0.00 0.00 -4.36 -0.99 -4.63 121.20 114.47 1g4a s ILE 122 Ca 0.08 -2.00 0.00 0.00 -0.26 0.00 0.00 60.65 58.47 1g4a s ILE 122 Cb -0.15 -2.60 0.00 0.00 1.25 0.00 0.00 42.46 40.96 1g4a s ILE 122 CO -0.29 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.50 1g4a n GLY 123 N -0.83 1.44 0.00 6.27 0.00 -1.26 -1.67 105.19 109.14 1g4a n GLY 123 Ca -0.05 -2.09 0.00 0.00 0.00 0.00 0.00 46.02 43.88 1g4a n GLY 123 CO 0.00 0.00 0.00 -1.26 0.00 0.00 0.00 173.32 172.06 1g4a n SER 124 N 0.00 0.00 -0.28 1.61 2.88 0.44 -0.58 113.62 117.69 1g4a n SER 124 Ca 0.00 0.95 0.00 0.00 -1.33 0.00 0.00 58.87 58.49 1g4a n SER 124 Cb 0.00 -0.45 0.00 0.00 -0.75 0.00 0.00 64.21 63.01 1g4a n SER 124 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1g4a n GLY 125 N -0.97 0.14 0.30 0.46 0.00 -1.15 -4.18 105.19 99.79 1g4a n GLY 125 Ca 0.00 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.11 1g4a n GLY 125 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1g4a h GLY 126 N 2.22 1.09 0.81 -0.02 0.00 -0.93 -1.61 103.07 104.63 1g4a h GLY 126 Ca 0.00 0.06 -0.04 0.00 0.00 0.00 0.00 47.33 47.35 1g4a h GLY 126 CO 0.00 -0.34 -0.37 -2.55 0.00 0.00 0.00 176.54 173.28 1g4a h PRO 127 N 0.14 -0.99 -0.98 4.80 0.11 -1.80 -2.79 132.00 130.48 1g4a h PRO 127 Ca 0.49 0.07 0.14 0.00 0.11 0.00 0.00 66.00 66.80 1g4a h PRO 127 Cb 0.93 0.23 -0.15 0.00 0.11 0.00 0.00 31.00 32.12 1g4a h PRO 127 CO -0.69 -0.65 -0.44 1.88 -0.21 0.00 0.00 178.00 177.89 1g4a h TYR 128 N -1.24 -1.29 -1.00 0.65 0.05 -1.80 0.89 116.97 113.22 1g4a h TYR 128 Ca -0.11 0.11 0.22 0.00 0.05 0.00 0.00 58.73 59.00 1g4a h TYR 128 Cb 0.80 0.70 -0.12 0.00 1.01 0.00 0.00 36.73 39.13 1g4a h TYR 128 CO -0.00 -0.40 0.61 0.00 -1.05 0.00 0.00 178.16 177.32 1g4a h ALA 129 N 1.14 1.73 -0.15 3.88 0.00 -1.28 -0.12 119.26 124.47 1g4a h ALA 129 Ca 0.30 0.10 -0.19 0.00 0.00 0.00 0.00 54.91 55.11 1g4a h ALA 129 Cb 0.55 -0.04 0.01 0.00 0.00 0.00 0.00 17.79 18.31 1g4a h ALA 129 CO -0.97 -0.16 -0.66 0.37 0.00 0.00 0.00 179.25 177.84 1g4a h GLN 130 N 0.68 0.71 -0.99 0.00 4.15 0.96 0.54 115.11 121.16 1g4a h GLN 130 Ca 0.61 -0.57 0.13 0.00 0.77 0.00 0.00 58.65 59.59 1g4a h GLN 130 Cb 1.06 0.11 -0.09 0.00 0.21 0.00 0.00 27.48 28.77 1g4a h GLN 130 CO -0.43 1.18 0.63 0.00 -1.93 0.00 0.00 178.83 178.28 1g4a h ALA 131 N 0.54 1.57 -0.02 3.38 0.00 0.94 0.67 119.26 126.33 1g4a h ALA 131 Ca -0.04 0.03 -0.06 0.00 0.00 0.00 0.00 54.91 54.84 1g4a h ALA 131 Cb 1.29 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 18.90 1g4a h ALA 131 CO 0.14 0.17 -0.22 0.00 0.00 0.00 0.00 179.25 179.34 1g4a h ALA 132 N 1.56 0.06 -0.40 0.00 0.00 -1.37 -2.00 119.26 117.10 1g4a h ALA 132 Ca 0.50 -0.43 0.07 0.00 0.00 0.00 0.00 54.91 55.05 1g4a h ALA 132 Cb 0.56 0.00 -0.09 0.00 0.00 0.00 0.00 17.79 18.27 1g4a h ALA 132 CO -0.27 0.06 -0.43 0.00 0.00 0.00 0.00 179.25 178.61 1g4a h ALA 133 N 0.33 -0.43 0.01 0.00 0.00 0.64 -0.73 119.26 119.07 1g4a h ALA 133 Ca -0.02 0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.95 1g4a h ALA 133 Cb 0.92 0.89 0.00 0.00 0.00 0.00 0.00 17.79 19.61 1g4a h ALA 133 CO 0.04 -0.87 -0.01 0.00 0.00 0.00 0.00 179.25 178.42 1g4a h ARG 134 N -0.33 -0.02 -0.96 0.00 3.08 0.20 -0.92 114.38 115.44 1g4a h ARG 134 Ca 0.14 0.00 0.20 0.00 0.07 0.00 0.00 59.98 60.39 1g4a h ARG 134 Cb 0.58 0.00 -0.08 0.00 0.08 0.00 0.00 29.97 30.55 1g4a h ARG 134 CO -0.57 -0.01 0.61 0.00 -1.07 0.00 0.00 179.97 178.93 1g4a h ALA 135 N 0.97 2.00 0.00 0.04 0.00 -0.48 -2.55 119.26 119.24 1g4a h ALA 135 Ca -0.00 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.85 1g4a h ALA 135 Cb 0.01 -0.05 -0.02 0.00 0.00 0.00 0.00 17.79 17.74 1g4a h ALA 135 CO 0.00 -0.33 -0.59 -0.07 0.00 0.00 0.00 179.25 178.26 1g4a h LEU 136 N 0.55 0.00 -1.43 0.00 3.38 -1.07 -3.07 115.31 113.67 1g4a h LEU 136 Ca 0.52 -0.71 0.00 0.00 0.09 0.00 0.00 57.88 57.78 1g4a h LEU 136 Cb 1.09 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.84 1g4a h LEU 136 CO -0.26 1.20 0.00 -0.11 0.09 0.00 0.00 178.44 179.36 1g4a n LEU 137 N -4.53 0.00 0.00 1.67 7.94 -0.36 -1.41 117.00 120.31 1g4a n LEU 137 Ca -0.20 0.00 0.00 0.00 -1.11 0.00 0.00 56.01 54.70 1g4a n LEU 137 Cb 0.55 0.00 0.00 0.00 0.53 0.00 0.00 43.42 44.50 1g4a n LEU 137 CO 0.25 0.00 0.00 -0.62 -1.11 0.00 0.00 177.39 175.91 1g4a n GLU 138 N 0.70 1.50 0.00 1.96 1.02 -1.05 -4.93 120.64 119.84 1g4a n GLU 138 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1g4a n GLU 138 Cb 0.00 -0.12 0.00 0.00 -0.02 0.00 0.00 31.44 31.30 1g4a n GLU 138 CO 0.00 0.00 0.00 0.09 1.18 0.00 0.00 177.13 178.40 1g4a n ASN 139 N 0.00 0.62 -4.20 1.62 4.13 -0.50 -5.08 115.26 111.84 1g4a n ASN 139 Ca 0.00 -1.27 -0.12 0.00 1.68 0.00 0.00 54.58 54.87 1g4a n ASN 139 Cb 0.00 0.00 -0.10 0.00 -1.54 0.00 0.00 39.78 38.14 1g4a n ASN 139 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1g4a s THR 140 N -0.27 0.37 -1.09 3.41 -4.23 -0.81 -5.03 115.64 107.99 1g4a s THR 140 Ca 0.00 -1.95 0.18 0.00 -1.18 0.00 0.00 61.69 58.74 1g4a s THR 140 Cb 0.00 -2.15 0.67 0.00 1.34 0.00 0.00 72.50 72.36 1g4a s THR 140 CO 0.00 -0.40 1.58 -0.62 -0.54 0.00 0.00 174.62 174.64 1g4a n GLU 141 N -0.20 3.57 -0.93 3.99 -0.58 -1.26 -4.79 120.64 120.44 1g4a n GLU 141 Ca -0.05 -2.81 -0.33 0.00 -0.42 0.00 0.00 57.16 53.54 1g4a n GLU 141 Cb 0.64 -1.82 0.13 0.00 -0.57 0.00 0.00 31.44 29.81 1g4a n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1g4a n LEU 142 N 0.99 1.99 -4.83 -4.62 4.77 -1.26 -5.01 117.00 109.03 1g4a n LEU 142 Ca 0.24 0.46 -0.30 0.00 -0.03 0.00 0.00 56.01 56.38 1g4a n LEU 142 Cb 0.84 -1.35 0.07 0.00 -2.33 0.00 0.00 43.42 40.65 1g4a n LEU 142 CO 0.22 -2.70 0.72 -0.55 -1.33 0.00 0.00 177.39 173.75 1g4a s SER 143 N -2.09 5.02 0.27 -1.43 0.15 -1.26 -4.78 113.70 109.57 1g4a s SER 143 Ca 0.65 1.33 -0.02 0.00 0.70 0.00 0.00 55.95 58.60 1g4a s SER 143 Cb -0.26 -2.13 0.36 0.00 -1.71 0.00 0.00 66.02 62.28 1g4a s SER 143 CO 0.59 -1.64 1.81 0.00 1.20 0.00 0.00 173.24 175.21 1g4a h ALA 144 N -0.86 1.18 -0.03 5.45 0.00 -1.78 0.46 119.26 123.68 1g4a h ALA 144 Ca -0.46 -0.21 -0.13 0.00 0.00 0.00 0.00 54.91 54.11 1g4a h ALA 144 Cb 1.25 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.82 1g4a h ALA 144 CO 0.60 0.56 -0.49 -0.09 0.00 0.00 0.00 179.25 179.83 1g4a h ARG 145 N 0.85 0.39 0.32 0.00 2.43 -1.92 -3.12 114.38 113.34 1g4a h ARG 145 Ca 0.19 -0.38 -0.01 0.00 -0.81 0.00 0.00 59.98 58.96 1g4a h ARG 145 Cb 0.30 0.10 -0.00 0.00 -0.42 0.00 0.00 29.97 29.95 1g4a h ARG 145 CO -0.00 1.04 -0.19 0.93 -1.51 0.00 0.00 179.97 180.24 1g4a h GLU 146 N -0.12 -0.45 -0.93 0.20 4.39 -1.84 0.75 114.58 116.57 1g4a h GLU 146 Ca -0.05 0.03 0.27 0.00 0.34 0.00 0.00 59.36 59.95 1g4a h GLU 146 Cb 1.19 0.10 -0.04 0.00 -0.10 0.00 0.00 28.75 29.90 1g4a h GLU 146 CO 0.10 -0.30 0.79 0.82 -1.16 0.00 0.00 179.01 179.26 1g4a h ILE 147 N -0.47 0.32 0.10 3.13 2.04 -0.24 0.70 117.51 123.08 1g4a h ILE 147 Ca -0.04 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.81 1g4a h ILE 147 Cb 0.37 0.41 0.00 0.00 -0.74 0.00 0.00 36.82 36.86 1g4a h ILE 147 CO 0.05 0.00 -0.05 0.00 0.00 0.00 0.00 178.15 178.16 1g4a h ALA 148 N 1.29 -0.15 -0.88 1.87 0.00 -1.43 -2.49 119.26 117.48 1g4a h ALA 148 Ca 0.44 -0.03 0.15 0.00 0.00 0.00 0.00 54.91 55.48 1g4a h ALA 148 Cb 2.03 0.05 -0.07 0.00 0.00 0.00 0.00 17.79 19.80 1g4a h ALA 148 CO -0.00 -0.14 0.57 1.49 0.00 0.00 0.00 179.25 181.17 1g4a h GLU 149 N -0.87 0.60 -0.05 0.00 4.81 0.42 0.38 114.58 119.87 1g4a h GLU 149 Ca -0.01 -0.04 -0.13 0.00 -0.13 0.00 0.00 59.36 59.05 1g4a h GLU 149 Cb 0.10 -0.13 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1g4a h GLU 149 CO 0.02 0.39 -0.56 0.87 -0.73 0.00 0.00 179.01 179.01 1g4a h LYS 150 N 0.61 0.16 0.10 1.92 1.79 0.24 -3.05 116.57 118.33 1g4a h LYS 150 Ca 0.45 -0.10 -0.14 0.00 -2.18 0.00 0.00 60.65 58.68 1g4a h LYS 150 Cb 0.81 0.01 0.02 0.00 -1.58 0.00 0.00 32.23 31.49 1g4a h LYS 150 CO -0.20 0.67 -0.59 0.00 -1.08 0.00 0.00 179.45 178.26 1g4a h ALA 151 N 1.30 -0.06 -0.13 3.86 0.00 -0.27 -3.10 119.26 120.86 1g4a h ALA 151 Ca -0.00 -0.64 0.04 0.00 0.00 0.00 0.00 54.91 54.31 1g4a h ALA 151 Cb 1.03 0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.88 1g4a h ALA 151 CO 0.08 0.28 0.12 1.25 0.00 0.00 0.00 179.25 180.98 1g4a h LEU 152 N -0.52 0.00 0.05 0.00 6.46 -0.45 -0.63 115.31 120.21 1g4a h LEU 152 Ca -0.10 0.00 -0.21 0.00 -0.12 0.00 0.00 57.88 57.45 1g4a h LEU 152 Cb 1.46 0.00 0.02 0.00 -0.73 0.00 0.00 40.66 41.41 1g4a h LEU 152 CO 0.11 0.00 -0.86 0.44 -0.62 0.00 0.00 178.44 177.52 1g4a h ASP 153 N 0.00 0.67 -0.78 1.25 3.32 -1.58 -1.73 116.42 117.57 1g4a h ASP 153 Ca 0.06 -0.80 -0.04 0.00 0.02 0.00 0.00 57.03 56.27 1g4a h ASP 153 Cb 0.31 -0.21 -0.04 0.00 0.22 0.00 0.00 39.33 39.62 1g4a h ASP 153 CO -0.00 1.39 0.32 0.40 -1.72 0.00 0.00 179.24 179.64 1g4a h ILE 154 N 0.04 1.26 0.04 0.35 2.04 -1.25 -0.41 117.51 119.58 1g4a h ILE 154 Ca -0.12 -0.80 -0.00 0.00 1.00 0.00 0.00 64.86 64.94 1g4a h ILE 154 Cb 1.56 0.30 -0.00 0.00 -0.74 0.00 0.00 36.82 37.95 1g4a h ILE 154 CO 0.17 0.33 -0.04 0.00 0.00 0.00 0.00 178.15 178.61 1g4a h ALA 155 N 1.20 -0.80 -0.97 1.87 0.00 -1.13 -2.15 119.26 117.28 1g4a h ALA 155 Ca 0.26 -0.01 0.31 0.00 0.00 0.00 0.00 54.91 55.47 1g4a h ALA 155 Cb 0.20 0.26 -0.15 0.00 0.00 0.00 0.00 17.79 18.10 1g4a h ALA 155 CO -0.02 -0.80 0.46 0.78 0.00 0.00 0.00 179.25 179.66 1g4a h GLY 156 N -0.08 1.87 1.32 0.00 0.00 -1.24 0.40 103.07 105.35 1g4a h GLY 156 Ca -0.01 -0.16 0.05 0.00 0.00 0.00 0.00 47.33 47.22 1g4a h GLY 156 CO -0.00 -0.49 0.33 -1.80 0.00 0.00 0.00 176.54 174.57 1g4a h ASP 157 N 0.25 0.39 0.00 0.19 -0.00 -0.51 -3.22 116.42 113.52 1g4a h ASP 157 Ca 0.69 -0.00 0.00 0.00 -0.00 0.00 0.00 57.03 57.72 1g4a h ASP 157 Cb 1.56 -0.08 0.00 0.00 -0.00 0.00 0.00 39.33 40.80 1g4a h ASP 157 CO -0.65 0.26 -1.14 0.00 -0.00 0.00 0.00 179.24 177.71 1g4a n ILE 158 N -4.48 0.00 -3.63 2.25 3.06 0.12 -4.95 119.36 111.73 1g4a n ILE 158 Ca 0.06 -0.25 -0.37 0.00 -2.50 0.00 0.00 62.75 59.69 1g4a n ILE 158 Cb 0.23 0.54 -0.10 0.00 0.54 0.00 0.00 39.64 40.85 1g4a n ILE 158 CO 0.00 0.00 0.00 0.00 -2.50 0.00 0.00 176.55 174.05 1g4a n ILE 160 N 4.41 0.01 -0.33 0.00 -5.35 -1.26 -2.79 119.36 114.04 1g4a n ILE 160 Ca -0.14 0.00 0.08 0.00 -0.27 0.00 0.00 62.75 62.42 1g4a n ILE 160 Cb 0.52 -0.61 0.23 0.00 -1.74 0.00 0.00 39.64 38.04 1g4a n ILE 160 CO 0.00 0.00 0.00 -1.22 -1.76 0.00 0.00 176.55 173.57 1g4a n TYR 161 N -1.01 0.75 -4.10 4.28 4.02 -1.26 -4.94 117.16 114.90 1g4a n TYR 161 Ca 0.19 -0.54 -0.18 0.00 -0.01 0.00 0.00 57.90 57.36 1g4a n TYR 161 Cb 0.09 -0.06 -0.16 0.00 -0.02 0.00 0.00 39.34 39.19 1g4a n TYR 161 CO 0.00 0.00 0.00 0.99 -1.01 0.00 0.00 176.86 176.84 1g4a s THR 162 N -1.21 0.39 0.00 -0.72 2.01 -1.12 0.20 115.64 115.20 1g4a s THR 162 Ca 0.35 -0.09 0.00 0.00 0.31 0.00 0.00 61.69 62.25 1g4a s THR 162 Cb 0.20 -0.41 0.00 0.00 0.01 0.00 0.00 72.50 72.29 1g4a s THR 162 CO 0.21 0.17 0.00 -0.46 -0.69 0.00 0.00 174.62 173.85 1g4a n ASN 163 N 3.73 0.40 -0.24 3.53 0.23 -1.26 -4.46 115.26 117.20 1g4a n ASN 163 Ca -0.22 0.00 0.03 0.00 -0.53 0.00 0.00 54.58 53.86 1g4a n ASN 163 Cb 0.53 0.00 0.02 0.00 -2.08 0.00 0.00 39.78 38.25 1g4a n ASN 163 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1g4a n HIS 164 N 0.00 0.00 -2.10 -2.53 8.25 -1.26 -4.49 115.22 113.10 1g4a n HIS 164 Ca 0.00 -0.00 -0.43 0.00 -0.26 0.00 0.00 57.72 57.03 1g4a n HIS 164 Cb 0.00 -0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.08 1g4a n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1g4a s PHE 165 N -0.50 2.13 0.58 4.41 5.36 -1.26 -4.94 117.98 123.77 1g4a s PHE 165 Ca 0.07 0.43 0.09 0.00 -0.96 0.00 0.00 56.93 56.56 1g4a s PHE 165 Cb 0.05 -3.88 0.09 0.00 -0.34 0.00 0.00 43.02 38.93 1g4a s PHE 165 CO 0.07 -3.24 0.73 -1.01 -1.46 0.00 0.00 175.22 170.32 1g4a s HIS 166 N 4.44 1.30 -0.30 10.12 3.76 -1.26 -1.53 115.29 131.83 1g4a s HIS 166 Ca 0.71 -0.79 -0.15 0.00 -0.15 0.00 0.00 55.06 54.68 1g4a s HIS 166 Cb -0.29 -2.13 0.17 0.00 1.11 0.00 0.00 32.58 31.44 1g4a s HIS 166 CO 0.27 -1.09 1.01 0.99 -0.85 0.00 0.00 174.74 175.08 1g4a s THR 167 N -2.72 -0.46 -0.14 1.30 2.01 -1.07 -4.90 115.64 109.65 1g4a s THR 167 Ca 0.56 0.00 -0.09 0.00 0.31 0.00 0.00 61.69 62.48 1g4a s THR 167 Cb -0.05 -1.00 0.05 0.00 0.01 0.00 0.00 72.50 71.51 1g4a s THR 167 CO 0.36 0.00 0.35 -0.51 -0.69 0.00 0.00 174.62 174.13 1g4a s ILE 168 N 2.45 -0.02 0.39 1.82 2.07 -1.26 -2.37 121.20 124.27 1g4a s ILE 168 Ca -0.02 0.09 0.08 0.00 -1.41 0.00 0.00 60.65 59.39 1g4a s ILE 168 Cb -0.06 -0.52 -0.01 0.00 0.13 0.00 0.00 42.46 42.00 1g4a s ILE 168 CO -0.17 0.04 0.46 -1.61 -1.91 0.00 0.00 174.94 171.74 1g4a s GLU 169 N 1.10 2.80 0.00 3.50 0.41 -1.15 -4.98 118.70 120.38 1g4a s GLU 169 Ca -0.07 -1.28 0.00 0.00 -0.41 0.00 0.00 54.97 53.21 1g4a s GLU 169 Cb -0.08 -2.63 0.00 0.00 -1.78 0.00 0.00 34.13 29.64 1g4a s GLU 169 CO -0.09 -0.12 0.00 -0.85 -0.49 0.00 0.00 175.26 173.71 1g4a n GLU 170 N -1.65 0.00 0.00 1.61 0.00 -1.26 -3.07 120.64 116.26 1g4a n GLU 170 Ca 0.04 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.20 1g4a n GLU 170 Cb 0.60 0.00 0.00 0.00 0.00 0.00 0.00 31.44 32.04 1g4a n GLU 170 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 177.13 178.60 1g4a n LEU 171 N 0.00 0.00 -3.63 -1.84 -0.00 -1.26 -5.03 117.00 105.23 1g4a n LEU 171 Ca 0.00 0.00 -0.04 0.00 -0.00 0.00 0.00 56.01 55.97 1g4a n LEU 171 Cb 0.00 0.00 -0.06 0.00 -0.00 0.00 0.00 43.42 43.36 1g4a n LEU 171 CO 0.00 0.00 0.34 -0.55 -0.00 0.00 0.00 177.39 177.18 1g4a s SER 172 N -4.00 -0.99 0.00 1.45 0.15 -1.26 -4.72 113.70 104.33 1g4a s SER 172 Ca 0.00 1.47 0.00 0.00 0.70 0.00 0.00 55.95 58.12 1g4a s SER 172 Cb 0.00 1.76 0.00 0.00 -1.71 0.00 0.00 66.02 66.07 1g4a s SER 172 CO 0.00 -0.22 0.12 0.00 1.20 0.00 0.00 173.24 174.34