#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g4b s THR 2 N 0.00 -0.58 -0.09 4.28 2.01 -1.26 -1.09 115.64 118.90 1g4b s THR 2 Ca 0.00 0.08 0.00 0.00 0.31 0.00 0.00 61.69 62.08 1g4b s THR 2 Cb 0.00 -0.69 -0.03 0.00 0.01 0.00 0.00 72.50 71.79 1g4b s THR 2 CO 0.00 -0.01 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.21 1g4b s ILE 3 N 2.54 3.58 -0.22 1.82 1.01 -0.59 -3.14 121.20 126.19 1g4b s ILE 3 Ca 0.05 -0.51 -0.01 0.00 0.00 0.00 0.00 60.65 60.18 1g4b s ILE 3 Cb -0.14 -2.48 0.06 0.00 0.01 0.00 0.00 42.46 39.91 1g4b s ILE 3 CO -0.13 0.57 0.01 -0.69 0.00 0.00 0.00 174.94 174.70 1g4b s VAL 4 N -0.39 0.90 -0.15 2.92 1.01 0.16 -1.44 120.40 123.42 1g4b s VAL 4 Ca 0.05 -0.88 -0.06 0.00 0.00 0.00 0.00 61.98 61.10 1g4b s VAL 4 Cb -0.12 -1.36 -0.04 0.00 0.00 0.00 0.00 36.38 34.86 1g4b s VAL 4 CO 0.02 -0.23 0.05 -0.55 0.00 0.00 0.00 175.10 174.39 1g4b s SER 5 N 1.67 5.58 0.03 3.32 0.15 0.28 -1.77 113.70 122.97 1g4b s SER 5 Ca -0.01 0.13 0.02 0.00 0.70 0.00 0.00 55.95 56.79 1g4b s SER 5 Cb -0.18 -1.85 -0.02 0.00 -1.71 0.00 0.00 66.02 62.26 1g4b s SER 5 CO -0.09 0.25 -0.06 -0.69 1.20 0.00 0.00 173.24 173.85 1g4b s VAL 6 N -0.11 0.44 -0.21 4.45 1.01 -0.65 -0.38 120.40 124.94 1g4b s VAL 6 Ca 0.06 -0.93 -0.02 0.00 0.00 0.00 0.00 61.98 61.10 1g4b s VAL 6 Cb -0.12 -0.50 0.06 0.00 0.00 0.00 0.00 36.38 35.82 1g4b s VAL 6 CO 0.01 -0.34 0.03 -0.60 0.00 0.00 0.00 175.10 174.20 1g4b s ARG 7 N -1.35 0.79 -0.12 2.72 3.52 -1.26 -0.29 118.95 122.97 1g4b s ARG 7 Ca -0.09 -0.56 -0.00 0.00 -0.13 0.00 0.00 55.73 54.94 1g4b s ARG 7 Cb -0.09 -2.16 0.02 0.00 -1.56 0.00 0.00 34.95 31.16 1g4b s ARG 7 CO 0.00 -0.67 -0.09 1.03 -0.81 0.00 0.00 175.30 174.76 1g4b s ARG 8 N 1.77 1.69 7.49 5.12 1.81 -0.78 -4.99 118.95 131.05 1g4b s ARG 8 Ca -0.01 -0.32 0.00 0.00 -1.72 0.00 0.00 55.73 53.68 1g4b s ARG 8 Cb -0.17 -1.68 0.00 0.00 -0.45 0.00 0.00 34.95 32.64 1g4b s ARG 8 CO -0.09 -0.25 0.00 0.09 -0.68 0.00 0.00 175.30 174.37 1g4b n ASN 9 N 4.86 0.00 -1.43 0.23 3.02 -1.26 -2.33 115.26 118.35 1g4b n ASN 9 Ca -0.14 0.00 0.07 0.00 -0.03 0.00 0.00 54.58 54.48 1g4b n ASN 9 Cb 0.50 0.00 0.30 0.00 -0.61 0.00 0.00 39.78 39.97 1g4b n ASN 9 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1g4b n GLY 10 N 0.00 2.36 3.17 7.41 0.00 -1.26 -4.93 105.19 111.94 1g4b n GLY 10 Ca 0.00 -0.70 -0.11 0.00 0.00 0.00 0.00 46.02 45.22 1g4b n GLY 10 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 1g4b s HIS 11 N -2.00 0.91 -0.17 1.61 3.76 -0.99 -0.36 115.29 118.06 1g4b s HIS 11 Ca 0.42 -0.89 -0.09 0.00 -0.15 0.00 0.00 55.06 54.35 1g4b s HIS 11 Cb 0.29 -0.52 0.06 0.00 1.11 0.00 0.00 32.58 33.52 1g4b s HIS 11 CO 0.17 -0.13 0.39 0.54 -0.85 0.00 0.00 174.74 174.86 1g4b s VAL 12 N -3.52 -0.09 0.28 -0.90 0.11 -0.87 -1.87 120.40 113.54 1g4b s VAL 12 Ca 0.11 0.11 0.09 0.00 -2.93 0.00 0.00 61.98 59.36 1g4b s VAL 12 Cb 0.05 -0.59 -0.06 0.00 -1.53 0.00 0.00 36.38 34.25 1g4b s VAL 12 CO -0.04 0.05 -0.11 0.68 -3.33 0.00 0.00 175.10 172.34 1g4b s VAL 13 N 1.53 1.99 -0.18 2.04 -7.23 0.61 -1.91 120.40 117.25 1g4b s VAL 13 Ca -0.09 -2.22 -0.03 0.00 -1.81 0.00 0.00 61.98 57.83 1g4b s VAL 13 Cb -0.09 -2.40 0.06 0.00 0.56 0.00 0.00 36.38 34.51 1g4b s VAL 13 CO -0.12 -0.35 0.05 -0.63 -0.31 0.00 0.00 175.10 173.74 1g4b s ILE 14 N -2.80 0.31 0.12 -0.62 1.01 -0.83 -1.63 121.20 116.76 1g4b s ILE 14 Ca 0.29 -0.37 0.10 0.00 0.00 0.00 0.00 60.65 60.67 1g4b s ILE 14 Cb 0.01 -0.84 -0.04 0.00 0.01 0.00 0.00 42.46 41.60 1g4b s ILE 14 CO 0.13 -0.19 -0.25 0.00 0.00 0.00 0.00 174.94 174.63 1g4b s ALA 15 N 1.96 2.45 0.20 9.38 0.00 -0.73 -2.41 121.76 132.61 1g4b s ALA 15 Ca 0.00 -1.43 -0.13 0.00 0.00 0.00 0.00 51.96 50.40 1g4b s ALA 15 Cb -0.16 -0.45 0.00 0.00 0.00 0.00 0.00 23.12 22.51 1g4b s ALA 15 CO -0.08 0.55 0.43 0.20 0.00 0.00 0.00 175.76 176.86 1g4b s GLY 16 N -2.04 0.32 0.49 0.00 0.00 -1.06 0.39 107.32 105.42 1g4b s GLY 16 Ca 0.15 -0.68 0.04 0.00 0.00 0.00 0.00 44.72 44.24 1g4b s GLY 16 CO 0.07 -0.58 0.68 2.09 0.00 0.00 0.00 173.10 175.36 1g4b n ASP 17 N -0.31 1.39 -0.05 1.64 5.75 -1.19 -2.09 116.55 121.69 1g4b n ASP 17 Ca -0.06 -2.06 0.04 0.00 -0.01 0.00 0.00 54.79 52.70 1g4b n ASP 17 Cb 0.62 -0.40 0.06 0.00 -1.03 0.00 0.00 41.12 40.38 1g4b n ASP 17 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1g4b n GLY 18 N -0.64 3.41 3.74 6.12 0.00 -0.69 -4.39 105.19 112.74 1g4b n GLY 18 Ca 0.13 -0.50 -0.41 0.00 0.00 0.00 0.00 46.02 45.24 1g4b n GLY 18 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1g4b s GLN 19 N -1.73 4.59 -0.12 1.61 0.74 -1.26 -0.42 119.66 123.08 1g4b s GLN 19 Ca 0.14 1.72 0.02 0.00 0.05 0.00 0.00 55.36 57.28 1g4b s GLN 19 Cb 0.12 -3.28 0.01 0.00 1.10 0.00 0.00 33.01 30.96 1g4b s GLN 19 CO 0.01 0.06 -0.16 0.00 -0.55 0.00 0.00 175.29 174.65 1g4b s ALA 20 N -0.17 1.78 0.32 1.58 0.00 -0.47 -4.73 121.76 120.07 1g4b s ALA 20 Ca 0.50 -0.79 0.10 0.00 0.00 0.00 0.00 51.96 51.76 1g4b s ALA 20 Cb -0.29 -0.87 -0.06 0.00 0.00 0.00 0.00 23.12 21.90 1g4b s ALA 20 CO 0.35 -0.10 -0.09 0.99 0.00 0.00 0.00 175.76 176.91 1g4b s THR 21 N 1.00 2.48 -0.22 0.00 2.01 -1.26 -0.51 115.64 119.15 1g4b s THR 21 Ca -0.06 -2.19 -0.11 0.00 0.31 0.00 0.00 61.69 59.65 1g4b s THR 21 Cb -0.15 -2.60 0.08 0.00 0.01 0.00 0.00 72.50 69.85 1g4b s THR 21 CO -0.02 -0.27 0.52 -0.22 -0.69 0.00 0.00 174.62 173.94 1g4b s LEU 22 N -3.61 -0.59 0.00 4.42 0.20 -0.93 -4.77 118.68 113.40 1g4b s LEU 22 Ca 0.32 1.18 0.00 0.00 0.69 0.00 0.00 54.13 56.32 1g4b s LEU 22 Cb -0.01 1.76 0.00 0.00 -0.43 0.00 0.00 46.19 47.51 1g4b s LEU 22 CO 0.17 -0.22 0.00 0.61 -0.29 0.00 0.00 176.35 176.62 1g4b n GLY 23 N 4.69 2.66 0.11 7.98 0.00 -1.26 -1.25 105.19 118.12 1g4b n GLY 23 Ca -0.18 0.31 0.04 0.00 0.00 0.00 0.00 46.02 46.19 1g4b n GLY 23 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1g4b n ASN 24 N 10.38 1.64 -4.29 1.61 4.13 -1.26 -5.05 115.26 122.42 1g4b n ASN 24 Ca 0.00 -2.37 -0.22 0.00 1.68 0.00 0.00 54.58 53.67 1g4b n ASN 24 Cb 0.00 -0.22 -0.12 0.00 -1.54 0.00 0.00 39.78 37.90 1g4b n ASN 24 CO 0.00 0.00 0.00 0.42 0.28 0.00 0.00 177.26 177.96 1g4b s THR 25 N -1.57 1.66 -0.37 3.41 -4.23 -0.38 -5.10 115.64 109.07 1g4b s THR 25 Ca 0.14 -1.70 -0.28 0.00 -1.18 0.00 0.00 61.69 58.67 1g4b s THR 25 Cb 0.12 -1.63 0.02 0.00 1.34 0.00 0.00 72.50 72.35 1g4b s THR 25 CO 0.01 -0.22 1.06 -0.69 -0.54 0.00 0.00 174.62 174.24 1g4b s VAL 26 N -1.65 4.46 -0.00 2.29 1.01 -1.26 -2.19 120.40 123.05 1g4b s VAL 26 Ca 0.10 1.51 -0.13 0.00 0.00 0.00 0.00 61.98 63.45 1g4b s VAL 26 Cb -0.08 -4.44 -0.07 0.00 0.00 0.00 0.00 36.38 31.79 1g4b s VAL 26 CO 0.05 -0.61 0.77 -0.03 0.00 0.00 0.00 175.10 175.28 1g4b h MET 27 N 8.43 -0.45 -5.50 2.72 4.05 -1.10 -3.47 114.93 119.62 1g4b h MET 27 Ca -0.22 0.03 -0.44 0.00 -0.28 0.00 0.00 59.70 58.80 1g4b h MET 27 Cb 1.06 0.10 -0.14 0.00 -0.80 0.00 0.00 31.60 31.82 1g4b h MET 27 CO 1.04 -0.30 -0.72 0.21 0.23 0.00 0.00 176.91 177.37 1g4b s LYS 28 N -3.31 1.32 0.00 0.39 2.20 -1.12 -5.00 119.74 114.22 1g4b s LYS 28 Ca -0.07 -1.60 0.00 0.00 -0.36 0.00 0.00 55.97 53.95 1g4b s LYS 28 Cb 0.01 -1.06 0.00 0.00 -1.51 0.00 0.00 37.83 35.27 1g4b s LYS 28 CO 0.20 0.15 0.18 0.41 -0.36 0.00 0.00 175.35 175.94 1g4b n GLY 29 N -0.38 0.11 2.07 5.54 0.00 -1.26 -1.36 105.19 109.90 1g4b n GLY 29 Ca -0.08 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.83 1g4b n GLY 29 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 1g4b n ASN 30 N -0.44 3.18 -4.73 1.61 0.23 -1.09 -4.15 115.26 109.87 1g4b n ASN 30 Ca 0.00 -3.09 -0.42 0.00 -0.53 0.00 0.00 54.58 50.54 1g4b n ASN 30 Cb 0.02 -0.40 -0.03 0.00 -2.08 0.00 0.00 39.78 37.29 1g4b n ASN 30 CO 0.00 0.00 0.00 -0.69 -0.93 0.00 0.00 177.26 175.64 1g4b s VAL 31 N -3.83 2.75 -0.47 3.53 1.01 0.44 -4.94 120.40 118.90 1g4b s VAL 31 Ca 0.41 0.57 -0.22 0.00 0.00 0.00 0.00 61.98 62.74 1g4b s VAL 31 Cb 0.38 -3.36 0.03 0.00 0.00 0.00 0.00 36.38 33.43 1g4b s VAL 31 CO -0.01 0.06 0.72 -0.75 0.00 0.00 0.00 175.10 175.12 1g4b s LYS 32 N 0.64 3.29 0.00 2.72 2.36 -1.26 -3.95 119.74 123.54 1g4b s LYS 32 Ca 0.66 -0.38 0.23 0.00 -2.55 0.00 0.00 55.97 53.92 1g4b s LYS 32 Cb -0.42 -3.99 0.09 0.00 -1.05 0.00 0.00 37.83 32.46 1g4b s LYS 32 CO 0.35 -1.15 1.14 1.63 1.55 0.00 0.00 175.35 178.87 1g4b n LYS 33 N 6.55 0.88 -4.79 4.03 5.02 -1.26 -4.92 118.16 123.67 1g4b n LYS 33 Ca -0.01 -0.70 -0.26 0.00 -2.02 0.00 0.00 58.31 55.33 1g4b n LYS 33 Cb 0.47 -1.49 -0.15 0.00 -0.02 0.00 0.00 35.03 33.85 1g4b n LYS 33 CO 0.00 0.00 0.00 0.08 -0.52 0.00 0.00 177.40 176.96 1g4b s VAL 34 N -2.60 1.58 0.23 -0.18 1.01 -1.26 -0.97 120.40 118.20 1g4b s VAL 34 Ca 0.17 -1.00 -0.00 0.00 0.00 0.00 0.00 61.98 61.15 1g4b s VAL 34 Cb 0.18 -1.34 0.00 0.00 0.00 0.00 0.00 36.38 35.22 1g4b s VAL 34 CO 0.63 0.32 0.30 -2.11 0.00 0.00 0.00 175.10 174.23 1g4b n ARG 35 N 2.24 0.43 -4.70 2.72 1.85 -0.04 -4.95 116.66 114.22 1g4b n ARG 35 Ca -0.16 -1.90 -0.31 0.00 -1.00 0.00 0.00 57.85 54.48 1g4b n ARG 35 Cb 0.53 1.78 -0.13 0.00 -1.05 0.00 0.00 32.46 33.59 1g4b n ARG 35 CO 0.00 0.00 0.00 1.03 -0.01 0.00 0.00 177.63 178.65 1g4b s ARG 36 N -2.59 2.00 0.13 2.89 0.52 -1.26 -1.78 118.95 118.86 1g4b s ARG 36 Ca 0.20 -1.01 -0.01 0.00 -0.52 0.00 0.00 55.73 54.39 1g4b s ARG 36 Cb -0.00 -2.14 -0.04 0.00 0.52 0.00 0.00 34.95 33.28 1g4b s ARG 36 CO 0.15 0.53 0.04 -0.51 0.02 0.00 0.00 175.30 175.53 1g4b s LEU 37 N -1.42 1.91 -1.04 2.53 1.02 0.53 -4.79 118.68 117.42 1g4b s LEU 37 Ca 0.14 -1.18 -0.12 0.00 0.02 0.00 0.00 54.13 52.99 1g4b s LEU 37 Cb -0.10 0.23 -0.03 0.00 0.02 0.00 0.00 46.19 46.31 1g4b s LEU 37 CO 0.05 -0.69 0.82 0.00 0.02 0.00 0.00 176.35 176.55 1g4b n TYR 38 N -0.09 -2.25 -3.54 0.29 9.36 -1.26 -0.79 117.16 118.87 1g4b n TYR 38 Ca -0.07 0.70 -0.22 0.00 3.32 0.00 0.00 57.90 61.64 1g4b n TYR 38 Cb 0.63 -3.74 0.08 0.00 -0.63 0.00 0.00 39.34 35.69 1g4b n TYR 38 CO 0.00 0.00 0.00 0.09 0.22 0.00 0.00 176.86 177.17 1g4b n ASN 39 N -2.75 -5.12 -1.51 2.98 5.03 -1.26 -1.82 115.26 110.81 1g4b n ASN 39 Ca -0.08 -0.56 -0.11 0.00 0.87 0.00 0.00 54.58 54.70 1g4b n ASN 39 Cb 0.59 -5.03 -0.04 0.00 -1.02 0.00 0.00 39.78 34.28 1g4b n ASN 39 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 1g4b n ASP 40 N -3.02 -3.02 0.09 6.41 10.43 -1.04 -4.75 116.55 121.64 1g4b n ASP 40 Ca -0.08 0.27 0.12 0.00 2.57 0.00 0.00 54.79 57.67 1g4b n ASP 40 Cb 0.59 -2.85 0.09 0.00 1.84 0.00 0.00 41.12 40.79 1g4b n ASP 40 CO 0.00 0.00 0.00 0.11 -1.07 0.00 0.00 177.20 176.24 1g4b h LYS 41 N 0.00 0.00 -5.39 -1.24 1.57 -0.84 -3.46 116.57 107.22 1g4b h LYS 41 Ca -0.23 0.00 -0.57 0.00 -1.87 0.00 0.00 60.65 57.98 1g4b h LYS 41 Cb 0.80 0.00 -0.31 0.00 0.08 0.00 0.00 32.23 32.80 1g4b h LYS 41 CO 0.33 0.00 -0.84 0.08 -0.57 0.00 0.00 179.45 178.45 1g4b s VAL 42 N -3.26 1.46 -0.02 0.50 1.01 0.03 -4.57 120.40 115.54 1g4b s VAL 42 Ca 0.03 -0.74 0.05 0.00 0.00 0.00 0.00 61.98 61.32 1g4b s VAL 42 Cb 0.11 -1.25 -0.03 0.00 0.00 0.00 0.00 36.38 35.22 1g4b s VAL 42 CO 0.75 0.42 -0.16 0.27 0.00 0.00 0.00 175.10 176.38 1g4b s ILE 43 N -0.03 2.88 0.07 2.22 -4.36 -1.20 0.20 121.20 120.98 1g4b s ILE 43 Ca -0.02 -0.88 -0.07 0.00 -0.26 0.00 0.00 60.65 59.42 1g4b s ILE 43 Cb -0.11 -2.14 -0.01 0.00 1.25 0.00 0.00 42.46 41.45 1g4b s ILE 43 CO 0.02 0.53 0.13 0.00 0.24 0.00 0.00 174.94 175.86 1g4b s ALA 44 N -0.77 -0.06 0.07 2.27 0.00 -0.74 -1.35 121.76 121.19 1g4b s ALA 44 Ca 0.12 -0.72 0.02 0.00 0.00 0.00 0.00 51.96 51.38 1g4b s ALA 44 Cb -0.11 0.40 -0.03 0.00 0.00 0.00 0.00 23.12 23.38 1g4b s ALA 44 CO 0.02 -0.45 -0.07 0.20 0.00 0.00 0.00 175.76 175.45 1g4b s GLY 45 N -2.75 0.63 0.02 0.00 0.00 0.70 -0.86 107.32 105.06 1g4b s GLY 45 Ca 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 44.72 43.74 1g4b s GLY 45 CO -0.10 -1.10 -0.05 -0.11 0.00 0.00 0.00 173.10 171.73 1g4b s PHE 46 N -2.35 0.47 -0.31 1.90 -0.71 -0.15 -1.64 117.98 115.19 1g4b s PHE 46 Ca -0.00 -0.36 0.03 0.00 -1.04 0.00 0.00 56.93 55.56 1g4b s PHE 46 Cb -0.03 -0.29 0.08 0.00 -1.21 0.00 0.00 43.02 41.57 1g4b s PHE 46 CO -0.02 -0.08 -0.01 0.00 -1.34 0.00 0.00 175.22 173.77 1g4b s ALA 47 N -0.95 2.77 0.00 1.99 0.00 -0.59 -4.83 121.76 120.15 1g4b s ALA 47 Ca -0.07 -2.20 0.00 0.00 0.00 0.00 0.00 51.96 49.69 1g4b s ALA 47 Cb -0.07 -1.83 0.00 0.00 0.00 0.00 0.00 23.12 21.22 1g4b s ALA 47 CO -0.00 -1.48 0.00 0.41 0.00 0.00 0.00 175.76 174.69 1g4b n GLY 48 N 4.35 0.47 3.55 0.00 0.00 -1.26 -1.35 105.19 110.95 1g4b n GLY 48 Ca -0.04 -1.38 -0.51 0.00 0.00 0.00 0.00 46.02 44.09 1g4b n GLY 48 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g4b n GLY 49 N 0.00 0.79 0.00 -0.02 0.00 -1.26 -4.80 105.19 99.90 1g4b n GLY 49 Ca 0.00 0.91 0.00 0.00 0.00 0.00 0.00 46.02 46.93 1g4b n GLY 49 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1g4b n THR 50 N 6.27 1.25 0.00 2.61 -1.04 -1.26 -1.32 114.28 120.79 1g4b n THR 50 Ca 0.34 0.42 0.00 0.00 -2.04 0.00 0.00 64.05 62.77 1g4b n THR 50 Cb 0.23 -1.42 0.00 0.00 -1.82 0.00 0.00 70.33 67.32 1g4b n THR 50 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4b n ALA 51 N -1.29 1.99 -0.30 2.41 0.00 -1.26 -4.41 120.51 117.64 1g4b n ALA 51 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 53.44 53.45 1g4b n ALA 51 Cb 0.10 0.34 0.14 0.00 0.00 0.00 0.00 19.45 20.03 1g4b n ALA 51 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1g4b h ASP 52 N 0.00 0.78 -0.30 0.00 3.45 -1.57 0.21 116.42 118.99 1g4b h ASP 52 Ca 0.00 0.02 0.05 0.00 0.43 0.00 0.00 57.03 57.54 1g4b h ASP 52 Cb 0.98 -0.14 -0.05 0.00 -0.56 0.00 0.00 39.33 39.56 1g4b h ASP 52 CO 0.00 0.49 -0.03 0.00 -1.57 0.00 0.00 179.24 178.14 1g4b h ALA 53 N 1.40 0.24 -0.47 3.45 0.00 -1.49 0.00 119.26 122.40 1g4b h ALA 53 Ca 0.37 0.10 0.09 0.00 0.00 0.00 0.00 54.91 55.46 1g4b h ALA 53 Cb 0.20 0.17 -0.10 0.00 0.00 0.00 0.00 17.79 18.06 1g4b h ALA 53 CO -0.18 -0.43 -0.31 0.35 0.00 0.00 0.00 179.25 178.68 1g4b h PHE 54 N 0.05 -0.85 -0.35 0.00 3.57 -1.21 0.75 116.94 118.90 1g4b h PHE 54 Ca 0.14 0.06 -0.01 0.00 3.53 0.00 0.00 57.97 61.69 1g4b h PHE 54 Cb 0.20 0.44 -0.02 0.00 2.79 0.00 0.00 35.95 39.37 1g4b h PHE 54 CO -0.24 -0.37 0.19 1.15 -2.23 0.00 0.00 178.31 176.80 1g4b h THR 55 N -0.20 1.15 0.29 4.41 2.02 -0.61 -2.85 112.91 117.11 1g4b h THR 55 Ca 0.20 -0.41 -0.01 0.00 0.77 0.00 0.00 66.41 66.96 1g4b h THR 55 Cb 0.53 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.71 1g4b h THR 55 CO -0.58 0.16 -0.14 -0.07 0.37 0.00 0.00 175.52 175.26 1g4b h LEU 56 N 0.44 -0.33 -1.00 2.58 3.38 0.08 -2.73 115.31 117.75 1g4b h LEU 56 Ca 0.12 -0.16 0.21 0.00 0.09 0.00 0.00 57.88 58.14 1g4b h LEU 56 Cb 0.08 0.08 -0.11 0.00 0.09 0.00 0.00 40.66 40.80 1g4b h LEU 56 CO -0.02 -0.01 0.59 -0.26 0.09 0.00 0.00 178.44 178.84 1g4b h PHE 57 N -0.67 1.03 0.81 1.13 0.04 0.41 0.24 116.94 119.93 1g4b h PHE 57 Ca -0.04 0.04 -0.04 0.00 2.80 0.00 0.00 57.97 60.73 1g4b h PHE 57 Cb 0.47 -0.30 0.01 0.00 2.20 0.00 0.00 35.95 38.32 1g4b h PHE 57 CO 0.01 0.16 -0.39 1.49 -0.60 0.00 0.00 178.31 178.99 1g4b h GLU 58 N 0.68 -1.04 -0.99 1.51 4.57 -1.45 0.16 114.58 118.02 1g4b h GLU 58 Ca 0.60 0.07 0.21 0.00 -1.18 0.00 0.00 59.36 59.06 1g4b h GLU 58 Cb 1.02 0.24 -0.10 0.00 -0.16 0.00 0.00 28.75 29.75 1g4b h GLU 58 CO -0.42 -0.69 0.62 1.25 -1.18 0.00 0.00 179.01 178.58 1g4b h LEU 59 N -1.19 0.65 0.34 1.64 5.85 -1.11 0.29 115.31 121.78 1g4b h LEU 59 Ca -0.11 0.09 -0.02 0.00 0.84 0.00 0.00 57.88 58.68 1g4b h LEU 59 Cb 0.83 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.83 1g4b h LEU 59 CO 0.18 0.21 -0.17 0.15 -0.34 0.00 0.00 178.44 178.48 1g4b h PHE 60 N 0.62 -0.43 0.00 1.25 3.57 -0.72 0.15 116.94 121.38 1g4b h PHE 60 Ca 0.57 -0.01 0.00 0.00 3.53 0.00 0.00 57.97 62.06 1g4b h PHE 60 Cb 1.07 0.14 0.00 0.00 2.79 0.00 0.00 35.95 39.95 1g4b h PHE 60 CO -0.00 -0.25 0.00 -1.91 -2.23 0.00 0.00 178.31 173.91 1g4b n GLU 61 N -5.28 0.06 0.09 1.11 2.13 0.68 0.44 120.64 119.87 1g4b n GLU 61 Ca -0.10 0.53 0.06 0.00 0.66 0.00 0.00 57.16 58.31 1g4b n GLU 61 Cb 0.21 -1.69 -0.02 0.00 0.27 0.00 0.00 31.44 30.22 1g4b n GLU 61 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1g4b h ARG 62 N 0.00 0.00 0.12 5.31 3.08 0.13 -3.15 114.38 119.87 1g4b h ARG 62 Ca 0.00 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 59.87 1g4b h ARG 62 Cb 0.04 0.00 0.02 0.00 0.08 0.00 0.00 29.97 30.10 1g4b h ARG 62 CO 0.00 0.16 -0.81 0.87 -1.07 0.00 0.00 179.97 179.13 1g4b h LYS 63 N 0.00 0.26 0.00 0.04 1.79 0.12 -3.17 116.57 115.61 1g4b h LYS 63 Ca -0.06 -0.45 0.00 0.00 -2.18 0.00 0.00 60.65 57.96 1g4b h LYS 63 Cb 1.26 0.17 0.00 0.00 -1.58 0.00 0.00 32.23 32.08 1g4b h LYS 63 CO 0.02 1.22 0.00 -0.07 -1.08 0.00 0.00 179.45 179.54 1g4b h LEU 64 N -0.43 0.00 0.00 2.94 3.38 -1.50 -3.17 115.31 116.54 1g4b h LEU 64 Ca -0.15 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.82 1g4b h LEU 64 Cb 1.59 0.00 0.00 0.00 0.09 0.00 0.00 40.66 42.34 1g4b h LEU 64 CO 0.12 0.00 0.00 -0.62 0.09 0.00 0.00 178.44 178.03 1g4b n GLU 65 N -2.98 0.00 -2.72 1.13 -0.58 -1.19 -3.77 120.64 110.53 1g4b n GLU 65 Ca -0.02 0.05 -0.40 0.00 -0.42 0.00 0.00 57.16 56.37 1g4b n GLU 65 Cb 0.10 -1.00 0.01 0.00 -0.57 0.00 0.00 31.44 29.98 1g4b n GLU 65 CO 0.00 0.00 0.00 -0.12 -0.48 0.00 0.00 177.13 176.53 1g4b n MET 66 N -0.56 5.14 -2.62 3.49 1.56 -1.23 -4.00 117.12 118.90 1g4b n MET 66 Ca 0.00 -4.67 -0.02 0.00 -0.27 0.00 0.00 57.70 52.74 1g4b n MET 66 Cb 0.00 -2.46 0.11 0.00 2.15 0.00 0.00 33.22 33.03 1g4b n MET 66 CO 0.00 0.00 0.00 0.72 -0.73 0.00 0.00 175.97 175.96 1g4b n HIS 67 N 0.15 -1.70 0.00 1.12 8.25 -1.20 -5.04 115.22 116.80 1g4b n HIS 67 Ca 0.43 -1.70 0.00 0.00 -0.26 0.00 0.00 57.72 56.18 1g4b n HIS 67 Cb 0.28 1.37 0.00 0.00 1.12 0.00 0.00 29.99 32.76 1g4b n HIS 67 CO 0.00 0.00 0.00 0.94 0.64 0.00 0.00 176.34 177.92 1g4b n GLN 68 N -1.41 0.00 0.00 -0.41 -0.06 -1.26 -1.79 117.38 112.45 1g4b n GLN 68 Ca -0.16 0.00 0.00 0.00 -2.00 0.00 0.00 57.00 54.84 1g4b n GLN 68 Cb 0.87 0.00 0.00 0.00 -4.06 0.00 0.00 30.24 27.05 1g4b n GLN 68 CO 0.00 0.00 0.00 0.41 -0.20 0.00 0.00 177.06 177.27 1g4b n GLY 69 N 0.00 0.00 3.54 1.69 0.00 -1.25 -4.73 105.19 104.45 1g4b n GLY 69 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 46.02 45.66 1g4b n GLY 69 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1g4b n HIS 70 N 0.00 1.31 -0.15 1.61 -0.00 -0.74 -4.81 115.22 112.45 1g4b n HIS 70 Ca 0.00 0.15 -0.11 0.00 0.46 0.00 0.00 57.72 58.22 1g4b n HIS 70 Cb 0.00 -2.60 -0.08 0.00 -0.12 0.00 0.00 29.99 27.19 1g4b n HIS 70 CO 0.00 0.00 0.00 1.25 0.46 0.00 0.00 176.34 178.05 1g4b h LEU 71 N 18.82 -1.51 -0.40 0.27 7.12 -1.96 -0.46 115.31 137.19 1g4b h LEU 71 Ca -0.21 0.20 0.08 0.00 0.13 0.00 0.00 57.88 58.08 1g4b h LEU 71 Cb 1.27 0.63 -0.09 0.00 -0.53 0.00 0.00 40.66 41.93 1g4b h LEU 71 CO 1.19 -0.29 -0.36 0.58 -0.13 0.00 0.00 178.44 179.42 1g4b h VAL 72 N -0.26 0.19 0.06 1.05 2.07 -1.91 0.14 116.25 117.59 1g4b h VAL 72 Ca 0.07 0.00 0.01 0.00 0.82 0.00 0.00 66.70 67.59 1g4b h VAL 72 Cb 0.44 0.19 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 1g4b h VAL 72 CO -0.51 0.00 -0.08 0.50 0.02 0.00 0.00 177.57 177.49 1g4b h LYS 73 N -0.28 -0.17 -0.96 1.57 3.64 -1.89 -0.34 116.57 118.15 1g4b h LYS 73 Ca 0.16 0.01 0.20 0.00 -1.27 0.00 0.00 60.65 59.75 1g4b h LYS 73 Cb 0.56 0.04 -0.11 0.00 -0.41 0.00 0.00 32.23 32.30 1g4b h LYS 73 CO -0.55 -0.11 0.54 0.00 -2.27 0.00 0.00 179.45 177.06 1g4b h ALA 74 N 0.75 1.58 -0.44 5.00 0.00 -0.43 0.16 119.26 125.88 1g4b h ALA 74 Ca 0.01 0.10 -0.14 0.00 0.00 0.00 0.00 54.91 54.89 1g4b h ALA 74 Cb 0.18 -0.01 -0.01 0.00 0.00 0.00 0.00 17.79 17.95 1g4b h ALA 74 CO -0.04 -0.15 -0.27 0.00 0.00 0.00 0.00 179.25 178.78 1g4b h ALA 75 N 1.66 0.67 -0.76 0.00 0.00 -0.35 -0.29 119.26 120.19 1g4b h ALA 75 Ca 0.57 -0.41 -0.04 0.00 0.00 0.00 0.00 54.91 55.03 1g4b h ALA 75 Cb 0.95 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 18.56 1g4b h ALA 75 CO -0.42 0.67 0.32 0.28 0.00 0.00 0.00 179.25 180.11 1g4b h VAL 76 N 0.81 1.25 -0.11 0.00 2.07 0.93 -1.54 116.25 119.67 1g4b h VAL 76 Ca 0.09 -0.76 -0.19 0.00 0.82 0.00 0.00 66.70 66.66 1g4b h VAL 76 Cb 0.85 0.34 -0.00 0.00 -1.52 0.00 0.00 31.29 30.96 1g4b h VAL 76 CO 0.08 0.31 -0.74 -0.33 0.02 0.00 0.00 177.57 176.91 1g4b h GLU 77 N 1.09 0.53 0.79 1.57 4.39 -0.81 -2.71 114.58 119.42 1g4b h GLU 77 Ca 0.26 -0.43 -0.04 0.00 0.34 0.00 0.00 59.36 59.49 1g4b h GLU 77 Cb 0.18 0.09 0.01 0.00 -0.10 0.00 0.00 28.75 28.93 1g4b h GLU 77 CO -0.02 1.05 -0.38 1.25 -1.16 0.00 0.00 179.01 179.75 1g4b h LEU 78 N 0.36 -0.90 -2.00 1.33 5.85 -0.78 -2.54 115.31 116.63 1g4b h LEU 78 Ca -0.04 0.03 0.17 0.00 0.84 0.00 0.00 57.88 58.89 1g4b h LEU 78 Cb 1.33 0.23 -0.02 0.00 0.37 0.00 0.00 40.66 42.56 1g4b h LEU 78 CO 0.13 -0.60 0.47 0.00 -0.34 0.00 0.00 178.44 178.10 1g4b h ALA 79 N -1.43 2.50 -0.41 1.25 0.00 -1.38 -0.41 119.26 119.37 1g4b h ALA 79 Ca -0.11 -0.02 -0.06 0.00 0.00 0.00 0.00 54.91 54.72 1g4b h ALA 79 Cb 0.81 0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.63 1g4b h ALA 79 CO 0.18 -0.78 0.04 -0.22 0.00 0.00 0.00 179.25 178.47 1g4b h LYS 80 N 0.00 0.70 0.00 0.00 3.64 -1.13 0.12 116.57 119.90 1g4b h LYS 80 Ca 0.28 -0.20 -0.01 0.00 -1.27 0.00 0.00 60.65 59.45 1g4b h LYS 80 Cb 1.22 -0.07 -0.00 0.00 -0.41 0.00 0.00 32.23 32.96 1g4b h LYS 80 CO -0.00 0.76 -0.05 -0.44 -2.27 0.00 0.00 179.45 177.45 1g4b h ASP 81 N 0.54 0.00 -0.14 4.20 3.32 -0.80 -2.89 116.42 120.65 1g4b h ASP 81 Ca 0.12 0.00 -0.10 0.00 0.02 0.00 0.00 57.03 57.07 1g4b h ASP 81 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 1g4b h ASP 81 CO 0.01 0.05 -0.31 -0.25 -1.72 0.00 0.00 179.24 177.02 1g4b h TRP 82 N 0.00 0.57 0.00 4.55 2.91 -0.74 -2.58 115.95 120.66 1g4b h TRP 82 Ca -0.00 -0.21 0.00 0.00 1.13 0.00 0.00 58.89 59.81 1g4b h TRP 82 Cb 1.04 -0.10 0.00 0.00 -0.51 0.00 0.00 29.16 29.58 1g4b h TRP 82 CO 0.00 0.93 0.00 -2.13 -1.03 0.00 0.00 178.44 176.21 1g4b n ARG 83 N -4.39 0.22 0.00 2.65 0.63 0.38 -2.55 116.66 113.60 1g4b n ARG 83 Ca -0.07 0.37 0.00 0.00 -0.92 0.00 0.00 57.85 57.23 1g4b n ARG 83 Cb 0.48 -1.86 0.00 0.00 0.45 0.00 0.00 32.46 31.53 1g4b n ARG 83 CO 0.00 0.00 0.00 2.41 -2.51 0.00 0.00 177.63 177.53 1g4b n THR 84 N -2.26 0.00 -1.40 5.15 -1.04 -1.09 -4.88 114.28 108.76 1g4b n THR 84 Ca 0.03 0.00 -0.54 0.00 -2.04 0.00 0.00 64.05 61.50 1g4b n THR 84 Cb 0.29 -0.52 -0.07 0.00 -1.82 0.00 0.00 70.33 68.21 1g4b n THR 84 CO 0.00 0.00 0.00 0.47 -0.64 0.00 0.00 175.07 174.90 1g4b n ASP 85 N -0.29 -0.19 -0.07 8.00 10.43 -0.98 -4.52 116.55 128.94 1g4b n ASP 85 Ca 0.00 1.09 -0.07 0.00 2.57 0.00 0.00 54.79 58.38 1g4b n ASP 85 Cb 0.00 -0.87 -0.01 0.00 1.84 0.00 0.00 41.12 42.08 1g4b n ASP 85 CO 0.00 0.00 0.00 0.08 -1.07 0.00 0.00 177.20 176.21 1g4b h ARG 86 N 2.54 -0.07 0.00 -1.24 0.11 -1.92 1.80 114.38 115.60 1g4b h ARG 86 Ca -0.45 0.01 0.00 0.00 0.10 0.00 0.00 59.98 59.64 1g4b h ARG 86 Cb 1.35 0.02 0.00 0.00 1.11 0.00 0.00 29.97 32.44 1g4b h ARG 86 CO 0.60 -0.05 0.00 -0.12 0.10 0.00 0.00 179.97 180.50 1g4b n MET 87 N -5.29 0.00 -0.06 0.08 1.56 -1.26 -0.31 117.12 111.84 1g4b n MET 87 Ca -0.00 0.80 -0.08 0.00 -0.27 0.00 0.00 57.70 58.15 1g4b n MET 87 Cb 0.21 -1.34 -0.01 0.00 2.15 0.00 0.00 33.22 34.22 1g4b n MET 87 CO 0.00 0.00 0.00 -0.07 -0.73 0.00 0.00 175.97 175.17 1g4b h LEU 88 N 0.00 -0.12 -1.77 -0.89 -0.00 -1.72 -1.65 115.31 109.16 1g4b h LEU 88 Ca 0.00 0.06 0.20 0.00 -0.00 0.00 0.00 57.88 58.14 1g4b h LEU 88 Cb 0.00 0.11 -0.03 0.00 -0.00 0.00 0.00 40.66 40.74 1g4b h LEU 88 CO 0.00 -0.03 0.69 -0.09 -0.00 0.00 0.00 178.44 179.02 1g4b h ARG 89 N 0.06 0.00 0.22 1.13 2.43 0.34 -1.62 114.38 116.95 1g4b h ARG 89 Ca 0.12 0.00 -0.01 0.00 -0.81 0.00 0.00 59.98 59.28 1g4b h ARG 89 Cb 0.15 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 29.71 1g4b h ARG 89 CO -0.20 0.00 -0.11 -0.22 -1.51 0.00 0.00 179.97 177.93 1g4b h LYS 90 N 0.00 -0.29 -6.80 0.20 3.11 0.35 -3.45 116.57 109.69 1g4b h LYS 90 Ca 0.33 0.02 -0.52 0.00 -2.81 0.00 0.00 60.65 57.67 1g4b h LYS 90 Cb 1.71 0.07 0.04 0.00 -1.00 0.00 0.00 32.23 33.05 1g4b h LYS 90 CO -0.00 -0.00 0.60 -0.48 -2.81 0.00 0.00 179.45 176.76 1g4b s LEU 91 N -9.64 4.45 -0.07 5.20 0.05 -0.61 -5.05 118.68 113.01 1g4b s LEU 91 Ca -0.15 2.50 0.04 0.00 0.05 0.00 0.00 54.13 56.57 1g4b s LEU 91 Cb 0.03 -3.63 -0.02 0.00 -2.05 0.00 0.00 46.19 40.52 1g4b s LEU 91 CO 0.60 -0.44 -0.18 -1.83 -0.55 0.00 0.00 176.35 173.95 1g4b s GLU 92 N -1.18 2.72 0.00 1.48 -1.05 -1.26 -4.92 118.70 114.49 1g4b s GLU 92 Ca 0.50 -0.76 0.00 0.00 -0.15 0.00 0.00 54.97 54.56 1g4b s GLU 92 Cb -0.37 -2.37 0.00 0.00 -0.44 0.00 0.00 34.13 30.96 1g4b s GLU 92 CO 0.45 0.45 0.00 0.00 0.95 0.00 0.00 175.26 177.11 1g4b n ALA 93 N 2.80 0.00 -2.63 -0.84 0.00 -1.26 -4.07 120.51 114.50 1g4b n ALA 93 Ca -0.17 0.00 -0.38 0.00 0.00 0.00 0.00 53.44 52.89 1g4b n ALA 93 Cb 0.52 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.88 1g4b n ALA 93 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1g4b s LEU 94 N 0.00 4.09 -0.22 0.00 1.43 -0.46 -4.27 118.68 119.25 1g4b s LEU 94 Ca 0.00 0.27 -0.07 0.00 -1.03 0.00 0.00 54.13 53.29 1g4b s LEU 94 Cb 0.00 -2.33 -0.03 0.00 0.03 0.00 0.00 46.19 43.86 1g4b s LEU 94 CO 0.00 -0.08 0.06 -0.22 0.23 0.00 0.00 176.35 176.35 1g4b s LEU 95 N 1.57 3.57 -0.26 1.79 0.20 -0.19 -1.54 118.68 123.83 1g4b s LEU 95 Ca 0.13 -0.10 0.01 0.00 0.69 0.00 0.00 54.13 54.86 1g4b s LEU 95 Cb -0.15 -1.93 0.07 0.00 -0.43 0.00 0.00 46.19 43.75 1g4b s LEU 95 CO 0.08 0.05 -0.01 0.00 -0.29 0.00 0.00 176.35 176.18 1g4b s ALA 96 N 1.11 1.98 -0.06 5.97 0.00 -0.65 0.82 121.76 130.93 1g4b s ALA 96 Ca 0.04 -1.55 0.05 0.00 0.00 0.00 0.00 51.96 50.50 1g4b s ALA 96 Cb -0.14 -1.53 -0.00 0.00 0.00 0.00 0.00 23.12 21.44 1g4b s ALA 96 CO 0.03 -1.34 -0.20 0.54 0.00 0.00 0.00 175.76 174.78 1g4b s VAL 97 N 1.38 1.71 0.51 0.00 0.11 -0.60 -0.22 120.40 123.29 1g4b s VAL 97 Ca -0.00 -0.86 0.01 0.00 -2.93 0.00 0.00 61.98 58.20 1g4b s VAL 97 Cb -0.19 -1.47 -0.01 0.00 -1.53 0.00 0.00 36.38 33.18 1g4b s VAL 97 CO -0.10 0.48 0.00 0.00 -3.33 0.00 0.00 175.10 172.16 1g4b s ALA 98 N 0.09 4.09 0.00 1.54 0.00 -0.45 -0.83 121.76 126.19 1g4b s ALA 98 Ca -0.08 -0.40 0.00 0.00 0.00 0.00 0.00 51.96 51.48 1g4b s ALA 98 Cb -0.14 0.05 0.00 0.00 0.00 0.00 0.00 23.12 23.03 1g4b s ALA 98 CO 0.04 -0.03 0.00 -3.47 0.00 0.00 0.00 175.76 172.30 1g4b n ASP 99 N -1.26 0.00 -0.15 0.00 -0.08 -1.24 -3.26 116.55 110.56 1g4b n ASP 99 Ca -0.19 0.00 0.03 0.00 -1.51 0.00 0.00 54.79 53.12 1g4b n ASP 99 Cb 0.67 0.00 0.07 0.00 2.34 0.00 0.00 41.12 44.20 1g4b n ASP 99 CO 0.00 0.00 0.00 -0.62 0.12 0.00 0.00 177.20 176.70 1g4b n GLU 100 N -0.10 -0.04 0.00 -0.67 1.02 -1.26 -2.10 120.64 117.49 1g4b n GLU 100 Ca 0.00 0.65 0.00 0.00 -0.02 0.00 0.00 57.16 57.79 1g4b n GLU 100 Cb 0.00 -0.98 0.00 0.00 -0.02 0.00 0.00 31.44 30.44 1g4b n GLU 100 CO 0.00 0.00 0.00 2.41 1.18 0.00 0.00 177.13 180.72 1g4b n THR 101 N -4.64 0.00 -3.60 2.62 -1.04 -1.26 -4.99 114.28 101.36 1g4b n THR 101 Ca 0.07 0.93 -0.13 0.00 -2.04 0.00 0.00 64.05 62.88 1g4b n THR 101 Cb 0.23 -1.84 -0.05 0.00 -1.82 0.00 0.00 70.33 66.84 1g4b n THR 101 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1g4b s ALA 102 N -2.23 -1.21 0.14 2.41 0.00 -0.89 -5.17 121.76 114.80 1g4b s ALA 102 Ca 0.00 0.47 -0.00 0.00 0.00 0.00 0.00 51.96 52.43 1g4b s ALA 102 Cb 0.00 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.48 1g4b s ALA 102 CO 0.00 -0.50 0.32 -1.54 0.00 0.00 0.00 175.76 174.03 1g4b s SER 103 N -2.04 6.38 0.28 0.00 1.04 -1.26 -3.69 113.70 114.41 1g4b s SER 103 Ca -0.05 0.34 -0.18 0.00 0.48 0.00 0.00 55.95 56.54 1g4b s SER 103 Cb -0.01 -1.99 0.01 0.00 0.10 0.00 0.00 66.02 64.14 1g4b s SER 103 CO -0.03 0.05 0.65 -1.48 0.98 0.00 0.00 173.24 173.42 1g4b s LEU 104 N -2.99 -0.08 -0.10 2.42 0.05 -0.01 -4.74 118.68 113.23 1g4b s LEU 104 Ca 0.37 -0.73 0.02 0.00 0.05 0.00 0.00 54.13 53.84 1g4b s LEU 104 Cb -0.12 2.46 -0.01 0.00 -2.05 0.00 0.00 46.19 46.47 1g4b s LEU 104 CO 0.28 -1.31 -0.17 -0.63 -0.55 0.00 0.00 176.35 173.97 1g4b s ILE 105 N -3.87 2.71 0.03 1.48 1.01 0.41 -1.56 121.20 121.41 1g4b s ILE 105 Ca 0.15 -0.80 0.07 0.00 0.00 0.00 0.00 60.65 60.07 1g4b s ILE 105 Cb -0.04 -2.09 -0.03 0.00 0.01 0.00 0.00 42.46 40.30 1g4b s ILE 105 CO 0.08 0.55 -0.18 -0.63 0.00 0.00 0.00 174.94 174.75 1g4b s ILE 106 N 0.16 2.75 0.23 2.92 1.01 0.24 -0.37 121.20 128.15 1g4b s ILE 106 Ca -0.09 -1.14 0.02 0.00 0.00 0.00 0.00 60.65 59.43 1g4b s ILE 106 Cb -0.16 -2.14 -0.05 0.00 0.01 0.00 0.00 42.46 40.13 1g4b s ILE 106 CO 0.06 0.38 0.06 0.42 0.00 0.00 0.00 174.94 175.85 1g4b s THR 107 N -0.88 0.65 0.42 2.92 -4.23 -0.60 -1.02 115.64 112.90 1g4b s THR 107 Ca 0.14 -2.00 0.11 0.00 -1.18 0.00 0.00 61.69 58.76 1g4b s THR 107 Cb -0.10 -2.45 0.20 0.00 1.34 0.00 0.00 72.50 71.49 1g4b s THR 107 CO 0.04 -0.18 1.99 1.23 -0.54 0.00 0.00 174.62 177.17 1g4b h GLY 108 N 2.49 0.23 0.63 3.99 0.00 -1.90 -1.52 103.07 106.98 1g4b h GLY 108 Ca -0.38 -0.12 0.00 0.00 0.00 0.00 0.00 47.33 46.83 1g4b h GLY 108 CO 0.62 0.11 0.00 0.70 0.00 0.00 0.00 176.54 177.97 1g4b n ASN 109 N -4.37 0.00 -2.16 0.19 4.13 -1.26 -4.11 115.26 107.68 1g4b n ASN 109 Ca -0.01 -0.22 -0.13 0.00 1.68 0.00 0.00 54.58 55.90 1g4b n ASN 109 Cb 0.20 0.00 0.04 0.00 -1.54 0.00 0.00 39.78 38.48 1g4b n ASN 109 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1g4b n GLY 110 N -0.55 0.15 3.45 7.41 0.00 -0.58 -4.96 105.19 110.12 1g4b n GLY 110 Ca 0.02 -0.18 -0.35 0.00 0.00 0.00 0.00 46.02 45.52 1g4b n GLY 110 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1g4b s ASP 111 N -3.17 4.80 -0.36 1.61 1.01 -1.22 -4.87 116.67 114.47 1g4b s ASP 111 Ca 0.32 -0.20 -0.01 0.00 0.71 0.00 0.00 52.55 53.37 1g4b s ASP 111 Cb -0.14 -1.81 0.09 0.00 1.01 0.00 0.00 42.92 42.07 1g4b s ASP 111 CO 0.39 0.08 0.11 -0.69 0.21 0.00 0.00 175.17 175.28 1g4b s VAL 112 N 0.89 2.92 0.03 -1.27 1.01 -1.26 -1.55 120.40 121.18 1g4b s VAL 112 Ca 0.01 -1.99 0.09 0.00 0.00 0.00 0.00 61.98 60.08 1g4b s VAL 112 Cb -0.14 -2.97 -0.03 0.00 0.00 0.00 0.00 36.38 33.24 1g4b s VAL 112 CO 0.02 -0.53 -0.25 -0.69 0.00 0.00 0.00 175.10 173.65 1g4b s VAL 113 N 1.10 2.26 -0.20 2.92 1.01 0.51 -4.93 120.40 123.06 1g4b s VAL 113 Ca 0.06 -1.31 -0.00 0.00 0.00 0.00 0.00 61.98 60.73 1g4b s VAL 113 Cb -0.21 -1.88 0.05 0.00 0.00 0.00 0.00 36.38 34.34 1g4b s VAL 113 CO -0.05 0.39 -0.05 0.00 0.00 0.00 0.00 175.10 175.40 1g4b s GLN 114 N -1.18 1.52 0.89 2.72 -2.07 -1.26 0.16 119.66 120.43 1g4b s GLN 114 Ca 0.12 -0.77 -0.14 0.00 -1.82 0.00 0.00 55.36 52.75 1g4b s GLN 114 Cb -0.10 -2.34 0.00 0.00 -1.09 0.00 0.00 33.01 29.48 1g4b s GLN 114 CO 0.02 -0.53 0.36 -0.35 -1.32 0.00 0.00 175.29 173.47 1g4b n PRO 115 N 4.77 -0.10 -0.00 9.60 -0.04 -1.26 -4.89 135.00 143.08 1g4b n PRO 115 Ca -0.12 0.01 -0.00 0.00 -0.04 0.00 0.00 63.50 63.35 1g4b n PRO 115 Cb 0.46 -1.79 -0.00 0.00 -0.04 0.00 0.00 33.50 32.13 1g4b n PRO 115 CO 0.00 0.00 0.00 1.05 -0.04 0.00 0.00 175.50 176.51 1g4b h GLU 116 N -1.18 -0.00 -2.03 0.54 4.11 -2.00 -2.68 114.58 111.32 1g4b h GLU 116 Ca -0.44 0.00 -0.74 0.00 0.07 0.00 0.00 59.36 58.25 1g4b h GLU 116 Cb 1.30 0.00 -0.25 0.00 0.50 0.00 0.00 28.75 30.30 1g4b h GLU 116 CO 0.36 -0.00 1.00 0.09 0.07 0.00 0.00 179.01 180.52 1g4b n ASN 117 N -2.90 7.39 -2.30 3.06 4.13 -1.26 -4.79 115.26 118.59 1g4b n ASN 117 Ca -0.00 -3.73 -0.04 0.00 1.68 0.00 0.00 54.58 52.49 1g4b n ASN 117 Cb 0.00 -1.11 -0.00 0.00 -1.54 0.00 0.00 39.78 37.13 1g4b n ASN 117 CO 0.00 0.00 0.00 0.47 0.28 0.00 0.00 177.26 178.01 1g4b n ASP 118 N -0.27 -1.79 -4.53 6.41 9.92 -1.01 -4.58 116.55 120.70 1g4b n ASP 118 Ca 0.53 0.36 -0.41 0.00 -0.53 0.00 0.00 54.79 54.74 1g4b n ASP 118 Cb 0.28 -1.67 -0.09 0.00 -0.64 0.00 0.00 41.12 39.00 1g4b n ASP 118 CO 0.00 0.00 0.00 -0.22 0.13 0.00 0.00 177.20 177.11 1g4b s LEU 119 N -4.84 4.55 -0.10 0.64 2.96 -1.26 -4.19 118.68 116.44 1g4b s LEU 119 Ca 0.00 -0.35 -0.01 0.00 -0.22 0.00 0.00 54.13 53.55 1g4b s LEU 119 Cb 0.00 -2.35 -0.03 0.00 0.50 0.00 0.00 46.19 44.31 1g4b s LEU 119 CO 0.00 -0.40 -0.06 -0.63 -1.32 0.00 0.00 176.35 173.95 1g4b s ILE 120 N 2.04 3.79 -0.45 6.68 1.01 0.49 -4.60 121.20 130.15 1g4b s ILE 120 Ca 0.12 -0.43 0.05 0.00 0.00 0.00 0.00 60.65 60.39 1g4b s ILE 120 Cb -0.17 -2.59 0.18 0.00 0.01 0.00 0.00 42.46 39.89 1g4b s ILE 120 CO 0.12 0.57 0.51 0.00 0.00 0.00 0.00 174.94 176.14 1g4b s ALA 121 N -0.45 -0.19 0.67 9.38 0.00 -1.25 0.10 121.76 130.02 1g4b s ALA 121 Ca 0.07 -1.51 -0.00 0.00 0.00 0.00 0.00 51.96 50.52 1g4b s ALA 121 Cb -0.12 -2.10 0.10 0.00 0.00 0.00 0.00 23.12 21.00 1g4b s ALA 121 CO 0.02 -2.09 0.93 0.96 0.00 0.00 0.00 175.76 175.58 1g4b s ILE 122 N 0.48 2.29 0.00 0.00 -4.36 -0.52 -4.04 121.20 115.05 1g4b s ILE 122 Ca 0.31 -0.61 0.00 0.00 -0.26 0.00 0.00 60.65 60.09 1g4b s ILE 122 Cb 0.01 -2.69 0.00 0.00 1.25 0.00 0.00 42.46 41.04 1g4b s ILE 122 CO -0.13 0.00 0.00 0.61 0.24 0.00 0.00 174.94 175.66 1g4b n GLY 123 N -2.69 -1.66 0.45 6.27 0.00 -1.26 -1.55 105.19 104.75 1g4b n GLY 123 Ca 0.13 -1.54 0.21 0.00 0.00 0.00 0.00 46.02 44.82 1g4b n GLY 123 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 1g4b h SER 124 N 0.00 0.00 -0.02 1.61 4.64 -1.53 0.89 113.55 119.14 1g4b h SER 124 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1g4b h SER 124 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 1g4b h SER 124 CO 0.00 0.00 -0.39 0.61 -0.87 0.00 0.00 176.83 176.18 1g4b n GLY 125 N -1.58 0.09 0.38 -0.77 0.00 -0.25 -4.68 105.19 98.38 1g4b n GLY 125 Ca 0.14 -0.59 -0.07 0.00 0.00 0.00 0.00 46.02 45.49 1g4b n GLY 125 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1g4b n GLY 126 N 1.32 -2.26 0.23 -0.02 0.00 0.31 -1.41 105.19 103.37 1g4b n GLY 126 Ca 0.09 1.08 0.01 0.00 0.00 0.00 0.00 46.02 47.20 1g4b n GLY 126 CO 0.00 0.00 0.00 -2.55 0.00 0.00 0.00 173.32 170.77 1g4b h PRO 127 N 0.00 0.31 -0.46 1.61 0.11 -1.79 0.14 132.00 131.93 1g4b h PRO 127 Ca 0.20 -0.02 -0.02 0.00 0.11 0.00 0.00 66.00 66.27 1g4b h PRO 127 Cb 0.43 -0.07 -0.02 0.00 0.11 0.00 0.00 31.00 31.45 1g4b h PRO 127 CO -0.88 0.21 0.19 1.88 -0.21 0.00 0.00 178.00 179.18 1g4b h TYR 128 N 0.32 0.69 0.02 0.65 0.05 -1.57 -0.35 116.97 116.77 1g4b h TYR 128 Ca 0.32 -0.05 0.02 0.00 0.05 0.00 0.00 58.73 59.07 1g4b h TYR 128 Cb 0.45 -0.21 -0.02 0.00 1.01 0.00 0.00 36.73 37.97 1g4b h TYR 128 CO -0.21 0.58 -0.10 0.00 -1.05 0.00 0.00 178.16 177.37 1g4b h ALA 129 N 1.04 -0.13 -0.03 3.88 0.00 -0.46 -2.29 119.26 121.27 1g4b h ALA 129 Ca 0.15 0.00 0.03 0.00 0.00 0.00 0.00 54.91 55.10 1g4b h ALA 129 Cb 0.17 0.18 -0.05 0.00 0.00 0.00 0.00 17.79 18.09 1g4b h ALA 129 CO -0.01 -0.60 -0.25 0.37 0.00 0.00 0.00 179.25 178.75 1g4b h GLN 130 N -0.19 -0.36 -0.61 0.00 4.15 -0.39 0.45 115.11 118.16 1g4b h GLN 130 Ca 0.03 0.02 0.12 0.00 0.77 0.00 0.00 58.65 59.59 1g4b h GLN 130 Cb 0.23 0.08 -0.09 0.00 0.21 0.00 0.00 27.48 27.91 1g4b h GLN 130 CO -0.09 -0.24 0.14 0.00 -1.93 0.00 0.00 178.83 176.71 1g4b h ALA 131 N 0.48 0.74 -0.22 3.38 0.00 -0.92 0.31 119.26 123.03 1g4b h ALA 131 Ca 0.07 0.13 -0.18 0.00 0.00 0.00 0.00 54.91 54.93 1g4b h ALA 131 Cb 0.47 0.17 -0.00 0.00 0.00 0.00 0.00 17.79 18.43 1g4b h ALA 131 CO -0.24 -0.30 -0.59 0.00 0.00 0.00 0.00 179.25 178.12 1g4b h ALA 132 N 1.49 0.53 -0.28 0.00 0.00 -1.06 -2.01 119.26 117.93 1g4b h ALA 132 Ca 0.32 -0.53 -0.01 0.00 0.00 0.00 0.00 54.91 54.69 1g4b h ALA 132 Cb 0.48 -0.07 -0.01 0.00 0.00 0.00 0.00 17.79 18.19 1g4b h ALA 132 CO -0.40 0.69 0.14 0.00 0.00 0.00 0.00 179.25 179.68 1g4b h ALA 133 N 0.79 0.35 -0.36 0.00 0.00 0.77 -2.56 119.26 118.25 1g4b h ALA 133 Ca 0.00 -0.08 -0.09 0.00 0.00 0.00 0.00 54.91 54.74 1g4b h ALA 133 Cb 1.18 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.85 1g4b h ALA 133 CO 0.12 -0.10 -0.13 0.00 0.00 0.00 0.00 179.25 179.14 1g4b h ARG 134 N 0.32 0.72 -0.63 0.00 3.08 -0.43 -0.60 114.38 116.84 1g4b h ARG 134 Ca 0.10 -0.29 0.13 0.00 0.07 0.00 0.00 59.98 59.98 1g4b h ARG 134 Cb 0.09 -0.03 -0.10 0.00 0.08 0.00 0.00 29.97 30.01 1g4b h ARG 134 CO -0.01 0.89 0.10 0.00 -1.07 0.00 0.00 179.97 179.88 1g4b h ALA 135 N 0.80 0.73 0.34 0.04 0.00 -1.26 0.40 119.26 120.32 1g4b h ALA 135 Ca 0.08 0.15 -0.02 0.00 0.00 0.00 0.00 54.91 55.13 1g4b h ALA 135 Cb 0.65 0.23 0.00 0.00 0.00 0.00 0.00 17.79 18.67 1g4b h ALA 135 CO 0.04 -0.34 -0.16 -0.07 0.00 0.00 0.00 179.25 178.72 1g4b h LEU 136 N 0.22 -0.39 -1.13 0.00 4.07 -1.33 -1.10 115.31 115.65 1g4b h LEU 136 Ca 0.34 0.01 0.39 0.00 0.08 0.00 0.00 57.88 58.70 1g4b h LEU 136 Cb 0.53 0.10 -0.15 0.00 1.08 0.00 0.00 40.66 42.22 1g4b h LEU 136 CO -0.46 -0.16 0.65 0.25 -1.08 0.00 0.00 178.44 177.64 1g4b h LEU 137 N -0.70 0.36 0.24 1.67 5.85 -0.98 0.28 115.31 122.03 1g4b h LEU 137 Ca -0.05 0.20 -0.01 0.00 0.84 0.00 0.00 57.88 58.86 1g4b h LEU 137 Cb 0.35 0.18 0.00 0.00 0.37 0.00 0.00 40.66 41.56 1g4b h LEU 137 CO 0.08 -0.25 -0.11 -0.08 -0.34 0.00 0.00 178.44 177.73 1g4b h GLU 138 N 0.14 -0.31 -0.66 1.25 4.57 -0.13 -3.36 114.58 116.08 1g4b h GLU 138 Ca 0.80 0.02 -0.44 0.00 -1.18 0.00 0.00 59.36 58.56 1g4b h GLU 138 Cb 2.15 0.07 -0.28 0.00 -0.16 0.00 0.00 28.75 30.53 1g4b h GLU 138 CO -0.60 0.03 -0.13 0.09 -1.18 0.00 0.00 179.01 177.22 1g4b n ASN 139 N -5.07 4.61 -3.51 1.04 5.03 -0.27 -5.03 115.26 112.06 1g4b n ASN 139 Ca -0.09 -3.78 -0.14 0.00 0.87 0.00 0.00 54.58 51.44 1g4b n ASN 139 Cb 0.25 -0.61 -0.04 0.00 -1.02 0.00 0.00 39.78 38.36 1g4b n ASN 139 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1g4b s THR 140 N -4.13 0.01 -2.63 3.41 2.01 0.81 -4.94 115.64 110.19 1g4b s THR 140 Ca 0.52 -0.12 0.24 0.00 0.31 0.00 0.00 61.69 62.64 1g4b s THR 140 Cb 0.43 -0.99 0.36 0.00 0.01 0.00 0.00 72.50 72.31 1g4b s THR 140 CO 0.01 -0.07 1.39 -0.62 -0.69 0.00 0.00 174.62 174.65 1g4b n GLU 141 N 0.26 2.34 -1.49 4.92 -0.58 -1.26 -4.66 120.64 120.18 1g4b n GLU 141 Ca -0.18 -2.00 -0.41 0.00 -0.42 0.00 0.00 57.16 54.14 1g4b n GLU 141 Cb 0.61 -1.49 0.01 0.00 -0.57 0.00 0.00 31.44 30.00 1g4b n GLU 141 CO 0.00 0.00 0.00 1.28 -0.48 0.00 0.00 177.13 177.93 1g4b n LEU 142 N 1.28 0.66 -4.67 -4.62 4.77 -1.26 -4.94 117.00 108.22 1g4b n LEU 142 Ca 0.17 0.93 -0.30 0.00 -0.03 0.00 0.00 56.01 56.78 1g4b n LEU 142 Cb 0.57 -1.17 0.16 0.00 -2.33 0.00 0.00 43.42 40.64 1g4b n LEU 142 CO 0.15 -2.56 0.65 -0.94 -1.33 0.00 0.00 177.39 173.36 1g4b s SER 143 N -0.92 3.03 0.45 -1.43 1.04 -1.26 -4.79 113.70 109.83 1g4b s SER 143 Ca 0.64 1.69 0.16 0.00 0.48 0.00 0.00 55.95 58.92 1g4b s SER 143 Cb -0.59 -2.33 1.11 0.00 0.10 0.00 0.00 66.02 64.31 1g4b s SER 143 CO 0.57 -2.95 1.97 0.00 0.98 0.00 0.00 173.24 173.82 1g4b h ALA 144 N -1.76 2.12 0.23 5.32 0.00 -1.90 -2.09 119.26 121.18 1g4b h ALA 144 Ca -0.49 -0.01 -0.32 0.00 0.00 0.00 0.00 54.91 54.08 1g4b h ALA 144 Cb 1.28 -0.05 0.03 0.00 0.00 0.00 0.00 17.79 19.05 1g4b h ALA 144 CO 0.50 -0.27 -1.47 -0.09 0.00 0.00 0.00 179.25 177.93 1g4b h ARG 145 N 0.33 0.48 -0.40 0.00 2.43 -1.91 -3.15 114.38 112.16 1g4b h ARG 145 Ca 0.28 -0.82 -0.01 0.00 -0.81 0.00 0.00 59.98 58.62 1g4b h ARG 145 Cb 0.67 0.31 -0.02 0.00 -0.42 0.00 0.00 29.97 30.51 1g4b h ARG 145 CO -0.07 1.39 0.22 1.49 -1.51 0.00 0.00 179.97 181.50 1g4b h GLU 146 N 0.07 0.55 0.07 0.20 4.81 -1.74 -1.24 114.58 117.30 1g4b h GLU 146 Ca -0.27 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 58.91 1g4b h GLU 146 Cb 2.09 -0.12 0.00 0.00 0.63 0.00 0.00 28.75 31.36 1g4b h GLU 146 CO 0.24 0.41 -0.04 0.82 -0.73 0.00 0.00 179.01 179.71 1g4b h ILE 147 N 0.56 0.94 -0.83 2.32 2.04 -1.57 -0.91 117.51 120.06 1g4b h ILE 147 Ca 0.15 -1.47 0.17 0.00 1.00 0.00 0.00 64.86 64.70 1g4b h ILE 147 Cb 0.02 1.69 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 1g4b h ILE 147 CO -0.02 0.29 0.55 0.00 0.00 0.00 0.00 178.15 178.96 1g4b h ALA 148 N -0.37 2.08 0.08 1.87 0.00 -1.49 1.18 119.26 122.61 1g4b h ALA 148 Ca -0.01 0.01 -0.00 0.00 0.00 0.00 0.00 54.91 54.91 1g4b h ALA 148 Cb 0.55 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.27 1g4b h ALA 148 CO 0.02 -0.32 -0.04 1.49 0.00 0.00 0.00 179.25 180.39 1g4b h GLU 149 N 0.47 -0.11 -0.30 0.00 4.81 -1.29 -1.73 114.58 116.43 1g4b h GLU 149 Ca 0.42 0.01 -0.03 0.00 -0.13 0.00 0.00 59.36 59.63 1g4b h GLU 149 Cb 0.93 0.02 -0.02 0.00 0.63 0.00 0.00 28.75 30.32 1g4b h GLU 149 CO -0.16 0.40 0.06 0.87 -0.73 0.00 0.00 179.01 179.45 1g4b h LYS 150 N -0.92 0.44 -0.40 1.92 1.57 -0.55 0.32 116.57 118.94 1g4b h LYS 150 Ca -0.01 -0.07 -0.06 0.00 -1.87 0.00 0.00 60.65 58.64 1g4b h LYS 150 Cb 0.55 -0.08 -0.01 0.00 0.08 0.00 0.00 32.23 32.77 1g4b h LYS 150 CO 0.02 0.42 0.02 0.00 -0.57 0.00 0.00 179.45 179.33 1g4b h ALA 151 N 1.64 0.53 -0.55 3.86 0.00 0.13 -1.70 119.26 123.18 1g4b h ALA 151 Ca 0.10 -0.25 -0.07 0.00 0.00 0.00 0.00 54.91 54.69 1g4b h ALA 151 Cb 0.19 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.81 1g4b h ALA 151 CO -0.00 0.30 0.05 1.25 0.00 0.00 0.00 179.25 180.84 1g4b h LEU 152 N 0.52 0.90 0.29 0.00 6.46 -0.63 -1.91 115.31 120.95 1g4b h LEU 152 Ca 0.11 -0.28 -0.01 0.00 -0.12 0.00 0.00 57.88 57.58 1g4b h LEU 152 Cb 0.45 -0.24 0.00 0.00 -0.73 0.00 0.00 40.66 40.14 1g4b h LEU 152 CO 0.02 0.96 -0.14 0.44 -0.62 0.00 0.00 178.44 179.10 1g4b h ASP 153 N 0.82 -0.33 -0.70 1.25 3.32 -0.82 -0.39 116.42 119.56 1g4b h ASP 153 Ca 0.16 -0.01 0.13 0.00 0.02 0.00 0.00 57.03 57.34 1g4b h ASP 153 Cb 0.47 0.09 -0.09 0.00 0.22 0.00 0.00 39.33 40.01 1g4b h ASP 153 CO 0.02 -0.22 0.23 0.40 -1.72 0.00 0.00 179.24 177.95 1g4b h ILE 154 N -0.42 0.64 -0.22 0.35 2.04 -1.20 0.16 117.51 118.85 1g4b h ILE 154 Ca -0.04 -0.12 0.02 0.00 1.00 0.00 0.00 64.86 65.72 1g4b h ILE 154 Cb 0.32 0.24 -0.02 0.00 -0.74 0.00 0.00 36.82 36.62 1g4b h ILE 154 CO 0.07 0.07 0.08 0.00 0.00 0.00 0.00 178.15 178.37 1g4b h ALA 155 N 1.53 0.25 -0.86 1.87 0.00 -1.06 -2.02 119.26 118.97 1g4b h ALA 155 Ca 0.38 0.02 0.24 0.00 0.00 0.00 0.00 54.91 55.55 1g4b h ALA 155 Cb 0.58 -0.00 -0.04 0.00 0.00 0.00 0.00 17.79 18.32 1g4b h ALA 155 CO -0.41 -0.33 0.61 0.78 0.00 0.00 0.00 179.25 179.89 1g4b h GLY 156 N 0.19 0.16 1.46 0.00 0.00 0.10 0.47 103.07 105.46 1g4b h GLY 156 Ca 0.10 -0.03 -0.15 0.00 0.00 0.00 0.00 47.33 47.25 1g4b h GLY 156 CO -0.09 -0.00 -1.02 -0.55 0.00 0.00 0.00 176.54 174.88 1g4b h ASP 157 N 0.07 0.00 0.07 0.19 5.19 -0.59 -3.38 116.42 117.98 1g4b h ASP 157 Ca 0.42 0.00 -0.29 0.00 -0.62 0.00 0.00 57.03 56.53 1g4b h ASP 157 Cb 1.54 0.00 -0.02 0.00 0.18 0.00 0.00 39.33 41.03 1g4b h ASP 157 CO -0.04 0.57 -1.59 0.40 -3.12 0.00 0.00 179.24 175.47 1g4b h ILE 158 N 0.00 0.81 -3.24 0.35 5.03 -0.61 -3.46 117.51 116.39 1g4b h ILE 158 Ca -0.09 -2.28 -0.57 0.00 -0.12 0.00 0.00 64.86 61.80 1g4b h ILE 158 Cb 1.52 2.42 -0.06 0.00 -3.03 0.00 0.00 36.82 37.66 1g4b h ILE 158 CO 0.06 0.62 0.84 0.00 -0.68 0.00 0.00 178.15 178.99 1g4b h ILE 160 N 5.66 0.23 -0.60 0.00 2.04 -1.87 -2.43 117.51 120.53 1g4b h ILE 160 Ca -0.20 -0.22 0.00 0.00 1.00 0.00 0.00 64.86 65.44 1g4b h ILE 160 Cb 1.06 1.17 0.00 0.00 -0.74 0.00 0.00 36.82 38.31 1g4b h ILE 160 CO 1.02 0.03 0.00 -1.22 0.00 0.00 0.00 178.15 177.98 1g4b n TYR 161 N -3.35 0.80 -4.01 1.37 4.01 -1.26 -4.91 117.16 109.81 1g4b n TYR 161 Ca -0.02 -0.40 -0.13 0.00 -0.16 0.00 0.00 57.90 57.19 1g4b n TYR 161 Cb 0.15 0.00 -0.13 0.00 -0.31 0.00 0.00 39.34 39.05 1g4b n TYR 161 CO 0.00 0.00 0.00 0.95 -0.46 0.00 0.00 176.86 177.35 1g4b s THR 162 N -1.20 0.23 0.46 -0.72 -4.23 -0.92 -3.07 115.64 106.19 1g4b s THR 162 Ca 0.41 -0.34 0.03 0.00 -1.18 0.00 0.00 61.69 60.61 1g4b s THR 162 Cb 0.22 -0.24 0.03 0.00 1.34 0.00 0.00 72.50 73.84 1g4b s THR 162 CO 0.28 -0.07 0.22 -0.46 -0.54 0.00 0.00 174.62 174.05 1g4b n ASN 163 N 2.63 2.78 -1.53 3.99 0.23 -1.26 -4.64 115.26 117.46 1g4b n ASN 163 Ca -0.15 -2.74 0.00 0.00 -0.53 0.00 0.00 54.58 51.16 1g4b n ASN 163 Cb 0.58 0.09 0.24 0.00 -2.08 0.00 0.00 39.78 38.61 1g4b n ASN 163 CO 0.00 0.00 0.00 1.41 -0.93 0.00 0.00 177.26 177.74 1g4b n HIS 164 N -1.42 1.56 -2.99 -2.53 8.25 -1.26 -4.57 115.22 112.26 1g4b n HIS 164 Ca -0.08 -0.70 -0.42 0.00 -0.26 0.00 0.00 57.72 56.27 1g4b n HIS 164 Cb 0.55 -0.46 -0.05 0.00 1.12 0.00 0.00 29.99 31.14 1g4b n HIS 164 CO 0.00 0.00 0.00 0.12 0.64 0.00 0.00 176.34 177.10 1g4b s PHE 165 N -2.20 3.21 0.19 4.41 5.36 -1.26 -4.99 117.98 122.70 1g4b s PHE 165 Ca 0.37 0.76 0.06 0.00 -0.96 0.00 0.00 56.93 57.16 1g4b s PHE 165 Cb 0.29 -3.14 -0.04 0.00 -0.34 0.00 0.00 43.02 39.80 1g4b s PHE 165 CO 0.10 -0.53 0.14 -1.01 -1.46 0.00 0.00 175.22 172.47 1g4b s HIS 166 N 2.84 3.11 -0.26 10.12 3.76 -1.26 -1.70 115.29 131.91 1g4b s HIS 166 Ca 0.30 -0.05 -0.03 0.00 -0.15 0.00 0.00 55.06 55.13 1g4b s HIS 166 Cb -0.14 -1.47 0.11 0.00 1.11 0.00 0.00 32.58 32.19 1g4b s HIS 166 CO 0.12 0.52 0.22 0.99 -0.85 0.00 0.00 174.74 175.74 1g4b s THR 167 N -1.87 -0.27 0.00 1.30 2.01 -0.89 -4.97 115.64 110.95 1g4b s THR 167 Ca 0.31 -0.45 0.04 0.00 0.31 0.00 0.00 61.69 61.90 1g4b s THR 167 Cb -0.09 -0.89 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1g4b s THR 167 CO 0.23 -0.46 -0.11 -0.63 -0.69 0.00 0.00 174.62 172.96 1g4b s ILE 168 N 2.27 3.36 0.03 1.82 1.01 -1.26 -2.58 121.20 125.85 1g4b s ILE 168 Ca 0.08 -0.85 0.04 0.00 0.00 0.00 0.00 60.65 59.92 1g4b s ILE 168 Cb -0.15 -2.43 -0.02 0.00 0.01 0.00 0.00 42.46 39.88 1g4b s ILE 168 CO -0.28 0.42 -0.13 -1.61 0.00 0.00 0.00 174.94 173.35 1g4b s GLU 169 N -1.29 0.88 0.16 2.79 0.41 -1.01 -5.01 118.70 115.63 1g4b s GLU 169 Ca 0.15 -0.67 0.03 0.00 -0.41 0.00 0.00 54.97 54.07 1g4b s GLU 169 Cb -0.11 -0.87 -0.05 0.00 -1.78 0.00 0.00 34.13 31.33 1g4b s GLU 169 CO 0.06 0.22 -0.04 -2.00 -0.49 0.00 0.00 175.26 173.00 1g4b s GLU 170 N -0.97 1.07 -0.06 1.61 2.12 -1.26 -1.97 118.70 119.25 1g4b s GLU 170 Ca 0.01 -1.49 -0.02 0.00 0.36 0.00 0.00 54.97 53.83 1g4b s GLU 170 Cb -0.07 -0.40 0.04 0.00 0.26 0.00 0.00 34.13 33.95 1g4b s GLU 170 CO 0.01 -0.05 0.11 -1.17 -0.54 0.00 0.00 175.26 173.62 1g4b s LEU 171 N -3.17 0.27 -0.03 2.70 2.96 -0.80 -4.97 118.68 115.65 1g4b s LEU 171 Ca 0.20 0.21 0.01 0.00 -0.22 0.00 0.00 54.13 54.33 1g4b s LEU 171 Cb 0.05 0.11 -0.03 0.00 0.50 0.00 0.00 46.19 46.81 1g4b s LEU 171 CO 0.02 -0.22 -0.03 -0.44 -1.32 0.00 0.00 176.35 174.36 1g4b s SER 172 N 1.92 4.92 0.00 3.68 0.01 -1.26 -2.05 113.70 120.92 1g4b s SER 172 Ca 0.00 -0.02 0.00 0.00 1.31 0.00 0.00 55.95 57.24 1g4b s SER 172 Cb -0.12 -1.26 0.00 0.00 0.21 0.00 0.00 66.02 64.85 1g4b s SER 172 CO -0.04 0.31 0.00 0.00 0.41 0.00 0.00 173.24 173.92