#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1g16 n ILE 20 N 0.00 0.00 -3.65 2.46 5.41 -1.26 -3.93 119.36 118.39 1g16 n ILE 20 Ca 0.00 0.00 -0.05 0.00 1.00 0.00 0.00 62.75 63.70 1g16 n ILE 20 Cb 0.00 -0.63 -0.07 0.00 -0.71 0.00 0.00 39.64 38.24 1g16 n ILE 20 CO 0.00 0.00 0.00 -0.75 0.00 0.00 0.00 176.55 175.80 1g16 s LYS 22 N -0.69 0.48 -0.05 0.38 2.20 -1.26 -4.96 119.74 115.83 1g16 s LYS 22 Ca 0.00 1.24 0.04 0.00 -0.36 0.00 0.00 55.97 56.89 1g16 s LYS 22 Cb 0.00 0.56 0.00 0.00 -1.51 0.00 0.00 37.83 36.88 1g16 s LYS 22 CO 0.00 -0.21 -0.16 0.42 -0.36 0.00 0.00 175.35 175.03 1g16 s ILE 23 N 2.60 1.40 0.06 5.43 1.01 -0.38 -2.47 121.20 128.85 1g16 s ILE 23 Ca -0.05 -0.68 0.05 0.00 0.00 0.00 0.00 60.65 59.98 1g16 s ILE 23 Cb -0.11 -1.22 -0.04 0.00 0.01 0.00 0.00 42.46 41.10 1g16 s ILE 23 CO -0.16 0.41 -0.09 -0.76 0.00 0.00 0.00 174.94 174.33 1g16 s LEU 24 N 0.21 3.06 -0.22 2.97 1.02 -0.25 -0.56 118.68 124.90 1g16 s LEU 24 Ca -0.07 -0.29 -0.04 0.00 0.02 0.00 0.00 54.13 53.75 1g16 s LEU 24 Cb -0.13 -1.81 -0.01 0.00 0.02 0.00 0.00 46.19 44.26 1g16 s LEU 24 CO 0.03 0.23 -0.04 -0.76 0.02 0.00 0.00 176.35 175.83 1g16 s LEU 25 N -1.81 2.93 0.11 1.79 1.43 -1.11 -0.15 118.68 121.87 1g16 s LEU 25 Ca 0.19 -0.38 0.07 0.00 -1.03 0.00 0.00 54.13 52.98 1g16 s LEU 25 Cb -0.11 -1.75 -0.04 0.00 0.03 0.00 0.00 46.19 44.32 1g16 s LEU 25 CO 0.10 -0.02 -0.18 -0.63 0.23 0.00 0.00 176.35 175.86 1g16 s ILE 26 N 1.49 1.54 0.00 -0.59 1.01 0.67 -4.36 121.20 120.95 1g16 s ILE 26 Ca 0.06 -1.62 0.00 0.00 0.00 0.00 0.00 60.65 59.09 1g16 s ILE 26 Cb -0.14 -1.52 0.00 0.00 0.01 0.00 0.00 42.46 40.81 1g16 s ILE 26 CO -0.03 -0.22 0.00 0.61 0.00 0.00 0.00 174.94 175.30 1g16 n GLY 27 N 0.84 2.88 3.58 6.18 0.00 -1.26 -0.63 105.19 116.77 1g16 n GLY 27 Ca -0.18 -1.39 -0.37 0.00 0.00 0.00 0.00 46.02 44.09 1g16 n GLY 27 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1g16 n ASP 28 N 0.00 0.21 -4.77 1.61 9.92 -1.26 -4.92 116.55 117.34 1g16 n ASP 28 Ca 0.00 0.73 -0.38 0.00 -0.53 0.00 0.00 54.79 54.61 1g16 n ASP 28 Cb 0.00 -1.35 -0.00 0.00 -0.64 0.00 0.00 41.12 39.13 1g16 n ASP 28 CO 0.00 0.00 0.00 -0.55 0.13 0.00 0.00 177.20 176.78 1g16 s SER 29 N -1.38 6.04 0.00 -2.24 0.15 -1.26 -3.45 113.70 111.56 1g16 s SER 29 Ca 0.74 2.42 0.00 0.00 0.70 0.00 0.00 55.95 59.81 1g16 s SER 29 Cb -0.39 -2.61 0.00 0.00 -1.71 0.00 0.00 66.02 61.31 1g16 s SER 29 CO 0.50 -1.01 0.00 0.61 1.20 0.00 0.00 173.24 174.53 1g16 n GLY 30 N 0.53 0.80 0.10 9.45 0.00 -1.26 -4.94 105.19 109.88 1g16 n GLY 30 Ca 0.07 0.00 0.13 0.00 0.00 0.00 0.00 46.02 46.22 1g16 n GLY 30 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1g16 h VAL 31 N 0.00 0.00 0.00 1.61 -1.51 -1.92 -3.48 116.25 110.95 1g16 h VAL 31 Ca 0.00 -0.56 0.00 0.00 -1.23 0.00 0.00 66.70 64.91 1g16 h VAL 31 Cb 0.00 1.41 0.00 0.00 -2.13 0.00 0.00 31.29 30.57 1g16 h VAL 31 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 176.95 1g16 n GLY 32 N 1.29 1.55 0.27 5.19 0.00 -1.26 -4.61 105.19 107.62 1g16 n GLY 32 Ca 0.04 0.00 -0.15 0.00 0.00 0.00 0.00 46.02 45.91 1g16 n GLY 32 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1g16 h LYS 33 N 0.00 -0.55 -0.45 1.61 1.57 -1.91 -1.12 116.57 115.71 1g16 h LYS 33 Ca 0.00 0.04 -0.00 0.00 -1.87 0.00 0.00 60.65 58.82 1g16 h LYS 33 Cb 0.00 0.13 -0.02 0.00 0.08 0.00 0.00 32.23 32.41 1g16 h LYS 33 CO 0.00 -0.37 0.27 0.77 -0.57 0.00 0.00 179.45 179.55 1g16 h SER 34 N -0.58 0.53 0.06 0.86 0.02 -1.97 -2.56 113.55 109.92 1g16 h SER 34 Ca -0.04 -0.02 -0.16 0.00 -0.84 0.00 0.00 61.79 60.73 1g16 h SER 34 Cb 0.48 -0.13 -0.01 0.00 0.14 0.00 0.00 62.40 62.88 1g16 h SER 34 CO 0.03 0.41 -0.55 0.00 -1.14 0.00 0.00 176.83 175.58 1g16 h LEU 36 N 0.40 1.08 -0.32 0.00 3.38 -0.84 -0.72 115.31 118.28 1g16 h LEU 36 Ca 0.01 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.68 1g16 h LEU 36 Cb 1.09 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1g16 h LEU 36 CO 0.10 1.05 0.01 0.25 0.09 0.00 0.00 178.44 179.95 1g16 h LEU 37 N 1.06 0.55 -0.73 1.67 5.85 -1.35 -1.36 115.31 121.00 1g16 h LEU 37 Ca 0.21 -0.30 -0.04 0.00 0.84 0.00 0.00 57.88 58.59 1g16 h LEU 37 Cb 0.43 -0.15 -0.03 0.00 0.37 0.00 0.00 40.66 41.28 1g16 h LEU 37 CO 0.01 0.71 0.31 0.58 -0.34 0.00 0.00 178.44 179.72 1g16 h VAL 38 N 0.37 1.25 -0.71 1.05 2.07 -1.21 -1.13 116.25 117.94 1g16 h VAL 38 Ca 0.09 -0.75 -0.06 0.00 0.82 0.00 0.00 66.70 66.80 1g16 h VAL 38 Cb 0.43 0.37 -0.03 0.00 -1.52 0.00 0.00 31.29 30.54 1g16 h VAL 38 CO 0.01 0.31 0.21 -0.09 0.02 0.00 0.00 177.57 178.03 1g16 h ARG 39 N 1.05 1.11 -0.10 1.57 9.65 -0.98 0.33 114.38 127.00 1g16 h ARG 39 Ca 0.25 -0.24 -0.04 0.00 -1.10 0.00 0.00 59.98 58.85 1g16 h ARG 39 Cb 0.18 -0.16 -0.00 0.00 -1.39 0.00 0.00 29.97 28.60 1g16 h ARG 39 CO -0.02 0.95 -0.08 0.35 2.80 0.00 0.00 179.97 183.97 1g16 h PHE 40 N 1.06 0.27 0.01 2.20 3.57 -0.87 0.38 116.94 123.56 1g16 h PHE 40 Ca 0.23 -0.08 -0.00 0.00 3.53 0.00 0.00 57.97 61.65 1g16 h PHE 40 Cb 0.32 -0.06 0.00 0.00 2.79 0.00 0.00 35.95 39.00 1g16 h PHE 40 CO 0.03 0.62 -0.00 0.28 -2.23 0.00 0.00 178.31 177.00 1g16 h VAL 41 N -0.15 1.31 0.00 1.41 2.07 -1.21 -3.40 116.25 116.28 1g16 h VAL 41 Ca 0.02 -1.94 -0.08 0.00 0.82 0.00 0.00 66.70 65.52 1g16 h VAL 41 Cb 0.56 2.46 -0.01 0.00 -1.52 0.00 0.00 31.29 32.78 1g16 h VAL 41 CO 0.02 0.44 -1.60 -0.62 0.02 0.00 0.00 177.57 175.83 1g16 n GLU 42 N -4.67 0.64 -2.78 1.57 -0.58 -0.00 -5.02 120.64 109.79 1g16 n GLU 42 Ca -0.07 0.02 -0.11 0.00 -0.42 0.00 0.00 57.16 56.58 1g16 n GLU 42 Cb 0.35 -1.68 0.05 0.00 -0.57 0.00 0.00 31.44 29.59 1g16 n GLU 42 CO 0.00 0.00 0.00 -3.47 -0.48 0.00 0.00 177.13 173.18 1g16 n ASP 43 N -2.59 -4.54 -3.89 1.62 -0.08 0.13 -4.98 116.55 102.22 1g16 n ASP 43 Ca -0.07 -0.48 -0.09 0.00 -1.51 0.00 0.00 54.79 52.63 1g16 n ASP 43 Cb 0.69 -3.77 -0.06 0.00 2.34 0.00 0.00 41.12 40.31 1g16 n ASP 43 CO 0.00 0.00 0.00 -0.54 0.12 0.00 0.00 177.20 176.78 1g16 s LYS 44 N -4.18 1.13 -0.10 -0.67 1.02 -1.24 -4.96 119.74 110.74 1g16 s LYS 44 Ca 0.25 -1.07 -0.13 0.00 0.02 0.00 0.00 55.97 55.05 1g16 s LYS 44 Cb -0.03 0.40 0.03 0.00 -0.52 0.00 0.00 37.83 37.71 1g16 s LYS 44 CO 0.51 -0.42 0.33 0.12 -0.92 0.00 0.00 175.35 174.97 1g16 s PHE 45 N -3.93 -0.32 -0.29 3.18 5.36 -1.26 -3.45 117.98 117.27 1g16 s PHE 45 Ca 0.13 0.73 -0.15 0.00 -0.96 0.00 0.00 56.93 56.69 1g16 s PHE 45 Cb 0.03 0.12 0.12 0.00 -0.34 0.00 0.00 43.02 42.94 1g16 s PHE 45 CO -0.03 -0.24 0.80 1.21 -1.46 0.00 0.00 175.22 175.50 1g16 s ASN 46 N -0.23 -0.82 -1.13 6.13 3.84 -1.26 -5.13 114.94 116.34 1g16 s ASN 46 Ca -0.04 1.25 -0.21 0.00 0.21 0.00 0.00 52.86 54.07 1g16 s ASN 46 Cb -0.03 1.53 -0.07 0.00 -0.55 0.00 0.00 41.25 42.13 1g16 s ASN 46 CO 0.01 -0.19 1.91 -2.65 -2.79 0.00 0.00 177.10 173.40 1g16 n PRO 47 N 4.42 1.96 -3.51 0.43 -0.02 -1.26 -5.09 135.00 131.93 1g16 n PRO 47 Ca -0.17 -2.49 -0.22 0.00 -2.02 0.00 0.00 63.50 58.59 1g16 n PRO 47 Cb 0.56 -3.48 -0.06 0.00 -0.02 0.00 0.00 33.50 30.50 1g16 n PRO 47 CO 0.00 0.00 0.00 1.51 1.98 0.00 0.00 175.50 178.99 1g16 n ILE 55 N 6.97 -0.34 -1.14 4.25 0.13 -1.26 -5.30 119.36 122.66 1g16 n ILE 55 Ca 0.47 -0.17 -0.12 0.00 -1.10 0.00 0.00 62.75 61.83 1g16 n ILE 55 Cb 0.45 -0.48 0.25 0.00 -0.84 0.00 0.00 39.64 39.02 1g16 n ILE 55 CO 0.00 0.00 0.00 0.47 2.80 0.00 0.00 176.55 179.82 1g16 n ASP 56 N -1.46 4.27 -4.03 9.51 10.43 -1.26 -4.94 116.55 129.07 1g16 n ASP 56 Ca -0.08 -3.40 -0.09 0.00 2.57 0.00 0.00 54.79 53.79 1g16 n ASP 56 Cb 0.36 -0.77 -0.09 0.00 1.84 0.00 0.00 41.12 42.47 1g16 n ASP 56 CO 0.00 0.00 0.00 0.72 -1.07 0.00 0.00 177.20 176.85 1g16 s PHE 57 N -3.12 0.50 0.19 1.24 -0.12 -1.26 -0.28 117.98 115.12 1g16 s PHE 57 Ca 0.55 -0.94 0.06 0.00 -0.05 0.00 0.00 56.93 56.54 1g16 s PHE 57 Cb 0.45 -0.28 -0.05 0.00 -0.63 0.00 0.00 43.02 42.52 1g16 s PHE 57 CO 0.12 -0.51 -0.10 0.15 -0.05 0.00 0.00 175.22 174.82 1g16 s LYS 58 N -3.95 1.22 0.01 1.99 1.02 0.22 -4.95 119.74 115.30 1g16 s LYS 58 Ca 0.13 -1.55 0.08 0.00 0.02 0.00 0.00 55.97 54.64 1g16 s LYS 58 Cb 0.06 -0.82 -0.02 0.00 -0.52 0.00 0.00 37.83 36.54 1g16 s LYS 58 CO -0.06 0.08 -0.23 0.42 -0.92 0.00 0.00 175.35 174.65 1g16 s ILE 59 N -3.21 1.82 -0.19 2.17 1.09 -1.26 -0.71 121.20 120.92 1g16 s ILE 59 Ca 0.21 -1.11 -0.11 0.00 -1.10 0.00 0.00 60.65 58.54 1g16 s ILE 59 Cb 0.02 -1.54 0.06 0.00 -1.06 0.00 0.00 42.46 39.94 1g16 s ILE 59 CO 0.04 0.40 0.46 -0.75 -0.10 0.00 0.00 174.94 174.99 1g16 s LYS 60 N -0.85 0.45 -0.17 2.79 2.20 -0.91 -4.99 119.74 118.26 1g16 s LYS 60 Ca 0.09 0.84 -0.11 0.00 -0.36 0.00 0.00 55.97 56.43 1g16 s LYS 60 Cb -0.09 0.02 -0.05 0.00 -1.51 0.00 0.00 37.83 36.20 1g16 s LYS 60 CO 0.00 -0.15 0.19 0.99 -0.36 0.00 0.00 175.35 176.03 1g16 s THR 61 N 1.35 5.38 0.22 3.43 2.01 -1.26 -0.17 115.64 126.59 1g16 s THR 61 Ca -0.09 0.33 0.02 0.00 0.31 0.00 0.00 61.69 62.26 1g16 s THR 61 Cb -0.07 -3.52 -0.05 0.00 0.01 0.00 0.00 72.50 68.87 1g16 s THR 61 CO -0.13 0.46 0.04 0.68 -0.69 0.00 0.00 174.62 174.98 1g16 s VAL 62 N 0.09 0.70 -0.21 3.82 -7.23 0.13 -4.92 120.40 112.79 1g16 s VAL 62 Ca 0.12 -2.00 -0.09 0.00 -1.81 0.00 0.00 61.98 58.20 1g16 s VAL 62 Cb -0.12 -2.38 -0.05 0.00 0.56 0.00 0.00 36.38 34.39 1g16 s VAL 62 CO 0.01 -0.25 0.11 -0.62 -0.31 0.00 0.00 175.10 174.05 1g16 s ASP 63 N -3.26 5.92 -0.15 4.85 -1.08 -1.26 0.16 116.67 121.84 1g16 s ASP 63 Ca 0.31 0.12 -0.00 0.00 -0.52 0.00 0.00 52.55 52.45 1g16 s ASP 63 Cb 0.07 -2.04 0.04 0.00 -1.46 0.00 0.00 42.92 39.52 1g16 s ASP 63 CO 0.09 0.13 -0.07 -0.63 0.52 0.00 0.00 175.17 175.21 1g16 s ILE 64 N 0.67 1.17 -1.54 4.11 1.01 -0.05 -4.77 121.20 121.80 1g16 s ILE 64 Ca 0.06 -0.58 -0.14 0.00 0.00 0.00 0.00 60.65 60.00 1g16 s ILE 64 Cb -0.13 -1.28 0.09 0.00 0.01 0.00 0.00 42.46 41.16 1g16 s ILE 64 CO 0.01 0.22 0.94 -3.20 0.00 0.00 0.00 174.94 172.91 1g16 n ASN 65 N 4.87 -4.75 -0.86 3.58 2.85 -1.26 -1.64 115.26 118.05 1g16 n ASN 65 Ca -0.13 -0.76 -0.07 0.00 -0.11 0.00 0.00 54.58 53.52 1g16 n ASN 65 Cb 0.48 -3.80 0.00 0.00 1.24 0.00 0.00 39.78 37.71 1g16 n ASN 65 CO 0.00 0.00 0.00 0.61 -2.11 0.00 0.00 177.26 175.76 1g16 n GLY 66 N -1.65 0.17 2.99 8.20 0.00 -1.26 -5.04 105.19 108.60 1g16 n GLY 66 Ca 0.04 -0.58 -0.13 0.00 0.00 0.00 0.00 46.02 45.35 1g16 n GLY 66 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1g16 s LYS 67 N -4.51 0.15 0.03 1.61 1.02 -0.65 -5.12 119.74 112.26 1g16 s LYS 67 Ca 0.03 0.39 -0.30 0.00 0.02 0.00 0.00 55.97 56.11 1g16 s LYS 67 Cb -0.01 -0.10 -0.08 0.00 -0.52 0.00 0.00 37.83 37.12 1g16 s LYS 67 CO 0.04 -0.13 1.81 0.15 -0.92 0.00 0.00 175.35 176.29 1g16 s LYS 68 N 0.94 4.16 -0.14 1.68 -0.14 -1.26 -0.87 119.74 124.11 1g16 s LYS 68 Ca -0.07 2.44 0.02 0.00 -1.36 0.00 0.00 55.97 57.00 1g16 s LYS 68 Cb -0.09 -3.94 0.01 0.00 -1.68 0.00 0.00 37.83 32.14 1g16 s LYS 68 CO -0.05 -0.87 -0.19 0.08 -0.76 0.00 0.00 175.35 173.56 1g16 s VAL 69 N 3.80 1.86 -0.25 3.17 1.01 0.41 -4.82 120.40 125.58 1g16 s VAL 69 Ca 0.81 -0.85 -0.18 0.00 0.00 0.00 0.00 61.98 61.76 1g16 s VAL 69 Cb -0.40 -1.67 -0.03 0.00 0.00 0.00 0.00 36.38 34.29 1g16 s VAL 69 CO 0.36 0.51 0.54 -0.75 0.00 0.00 0.00 175.10 175.76 1g16 s LYS 70 N 1.01 4.10 -0.22 2.72 2.20 -1.25 0.22 119.74 128.51 1g16 s LYS 70 Ca -0.04 0.39 -0.13 0.00 -0.36 0.00 0.00 55.97 55.83 1g16 s LYS 70 Cb -0.15 -3.63 -0.04 0.00 -1.51 0.00 0.00 37.83 32.50 1g16 s LYS 70 CO -0.04 -0.32 0.28 -0.51 -0.36 0.00 0.00 175.35 174.40 1g16 s LEU 71 N 2.20 4.13 -0.47 5.43 1.43 0.76 -4.30 118.68 127.86 1g16 s LEU 71 Ca 0.23 0.31 -0.12 0.00 -1.03 0.00 0.00 54.13 53.52 1g16 s LEU 71 Cb -0.16 -2.31 0.10 0.00 0.03 0.00 0.00 46.19 43.85 1g16 s LEU 71 CO 0.09 -0.01 0.36 -1.58 0.23 0.00 0.00 176.35 175.44 1g16 s GLN 72 N 1.19 2.74 -0.32 1.70 0.74 -1.26 -2.15 119.66 122.30 1g16 s GLN 72 Ca 0.13 -1.56 -0.13 0.00 0.05 0.00 0.00 55.36 53.86 1g16 s GLN 72 Cb -0.14 -4.00 -0.03 0.00 1.10 0.00 0.00 33.01 29.94 1g16 s GLN 72 CO 0.06 -1.10 0.26 0.42 -0.55 0.00 0.00 175.29 174.37 1g16 s ILE 73 N 1.50 5.27 -0.09 -2.34 1.01 0.12 -1.24 121.20 125.42 1g16 s ILE 73 Ca 0.04 0.02 -0.12 0.00 0.00 0.00 0.00 60.65 60.59 1g16 s ILE 73 Cb -0.25 -3.67 -0.05 0.00 0.01 0.00 0.00 42.46 38.50 1g16 s ILE 73 CO 0.03 0.07 0.29 0.26 0.00 0.00 0.00 174.94 175.59 1g16 s TRP 74 N 1.81 3.60 -0.11 3.97 0.52 0.28 -0.61 118.94 128.40 1g16 s TRP 74 Ca 0.08 0.73 0.02 0.00 0.02 0.00 0.00 56.10 56.95 1g16 s TRP 74 Cb -0.17 -2.21 -0.01 0.00 -1.15 0.00 0.00 33.47 29.93 1g16 s TRP 74 CO 0.11 0.53 -0.17 0.34 0.02 0.00 0.00 176.95 177.78 1g16 s ASP 75 N -0.54 3.66 0.63 2.95 2.15 0.62 -2.75 116.67 123.39 1g16 s ASP 75 Ca 0.19 -0.40 0.23 0.00 0.43 0.00 0.00 52.55 53.00 1g16 s ASP 75 Cb -0.14 -1.46 1.11 0.00 -0.30 0.00 0.00 42.92 42.13 1g16 s ASP 75 CO 0.07 0.18 1.59 0.71 -0.17 0.00 0.00 175.17 177.56 1g16 h THR 76 N 5.42 0.11 -5.02 1.71 1.35 -1.84 -3.45 112.91 111.20 1g16 h THR 76 Ca -0.25 0.00 -0.29 0.00 -0.55 0.00 0.00 66.41 65.32 1g16 h THR 76 Cb 1.22 0.37 0.13 0.00 -1.73 0.00 0.00 68.15 68.14 1g16 h THR 76 CO 0.52 0.00 -0.62 0.00 -0.25 0.00 0.00 175.52 175.18 1g16 n ALA 77 N -2.05 -1.50 -4.25 6.62 0.00 -1.26 -3.06 120.51 115.01 1g16 n ALA 77 Ca 0.08 0.06 -0.37 0.00 0.00 0.00 0.00 53.44 53.21 1g16 n ALA 77 Cb 0.86 -2.84 -0.05 0.00 0.00 0.00 0.00 19.45 17.42 1g16 n ALA 77 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1g16 n GLY 78 N -1.30 -0.43 0.59 0.00 0.00 -1.26 -4.83 105.19 97.97 1g16 n GLY 78 Ca -0.17 0.08 0.06 0.00 0.00 0.00 0.00 46.02 45.99 1g16 n GLY 78 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 1g16 n GLN 79 N -4.03 2.26 -0.01 1.61 6.02 -1.17 -4.40 117.38 117.66 1g16 n GLN 79 Ca 0.09 -1.82 0.13 0.00 -0.01 0.00 0.00 57.00 55.39 1g16 n GLN 79 Cb 0.47 -1.26 0.71 0.00 1.02 0.00 0.00 30.24 31.18 1g16 n GLN 79 CO 0.00 0.00 0.00 -0.85 -1.01 0.00 0.00 177.06 175.20 1g16 n GLU 80 N 0.55 1.13 0.01 -1.09 0.00 -1.26 -3.12 120.64 116.85 1g16 n GLU 80 Ca 0.10 -0.19 0.11 0.00 0.00 0.00 0.00 57.16 57.19 1g16 n GLU 80 Cb 0.39 -1.41 0.04 0.00 0.00 0.00 0.00 31.44 30.46 1g16 n GLU 80 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.13 177.67 1g16 n ARG 81 N -0.69 0.16 0.00 3.44 1.74 -1.26 -4.50 116.66 115.55 1g16 n ARG 81 Ca 0.19 -0.01 0.00 0.00 -0.77 0.00 0.00 57.85 57.26 1g16 n ARG 81 Cb 0.13 -1.55 0.00 0.00 -1.02 0.00 0.00 32.46 30.03 1g16 n ARG 81 CO 0.00 0.00 0.00 1.97 -1.52 0.00 0.00 177.63 178.08 1g16 n PHE 82 N -1.75 0.00 -3.60 -1.55 1.16 -1.18 -5.11 117.46 105.42 1g16 n PHE 82 Ca 0.03 0.00 -0.04 0.00 -1.87 0.00 0.00 57.45 55.57 1g16 n PHE 82 Cb 0.39 0.00 -0.03 0.00 -1.61 0.00 0.00 39.48 38.23 1g16 n PHE 82 CO 0.00 0.00 0.00 -0.98 -1.87 0.00 0.00 176.76 173.91 1g16 s ARG 83 N -0.52 0.28 0.65 3.97 3.03 -1.22 -5.16 118.95 119.97 1g16 s ARG 83 Ca 0.00 -0.07 -0.17 0.00 2.03 0.00 0.00 55.73 57.52 1g16 s ARG 83 Cb 0.00 0.13 -0.01 0.00 -1.03 0.00 0.00 34.95 34.04 1g16 s ARG 83 CO 0.00 -0.12 1.21 0.95 -1.13 0.00 0.00 175.30 176.22 1g16 s THR 84 N -2.08 2.50 0.26 4.99 -4.23 -1.26 -4.52 115.64 111.30 1g16 s THR 84 Ca 0.08 0.28 -0.30 0.00 -1.18 0.00 0.00 61.69 60.58 1g16 s THR 84 Cb -0.01 -3.00 -0.13 0.00 1.34 0.00 0.00 72.50 70.69 1g16 s THR 84 CO -0.05 -0.09 1.29 -0.38 -0.54 0.00 0.00 174.62 174.85 1g16 n ILE 85 N -2.04 1.33 -1.59 2.99 -0.00 -1.26 -4.96 119.36 113.83 1g16 n ILE 85 Ca 0.14 -0.33 -0.31 0.00 -0.00 0.00 0.00 62.75 62.24 1g16 n ILE 85 Cb 0.50 -1.35 0.05 0.00 -0.00 0.00 0.00 39.64 38.84 1g16 n ILE 85 CO 0.00 0.00 0.00 0.42 -0.00 0.00 0.00 176.55 176.97 1g16 s THR 86 N -0.45 4.01 0.06 1.39 -4.23 -1.26 -4.99 115.64 110.17 1g16 s THR 86 Ca 0.64 0.65 -0.27 0.00 -1.18 0.00 0.00 61.69 61.54 1g16 s THR 86 Cb -0.66 -3.41 -0.17 0.00 1.34 0.00 0.00 72.50 69.59 1g16 s THR 86 CO 0.54 -0.85 1.59 0.74 -0.54 0.00 0.00 174.62 176.10 1g16 h THR 87 N -0.72 0.76 0.00 3.99 2.02 -1.97 -2.40 112.91 114.60 1g16 h THR 87 Ca -0.44 -0.17 0.00 0.00 0.77 0.00 0.00 66.41 66.57 1g16 h THR 87 Cb 1.21 0.86 0.00 0.00 -1.74 0.00 0.00 68.15 68.49 1g16 h THR 87 CO 0.57 0.04 0.00 0.00 0.37 0.00 0.00 175.52 176.50 1g16 n ALA 88 N -2.29 1.26 -0.04 6.16 0.00 -1.26 -1.34 120.51 122.99 1g16 n ALA 88 Ca -0.10 0.13 -0.15 0.00 0.00 0.00 0.00 53.44 53.33 1g16 n ALA 88 Cb 0.19 -1.31 -0.08 0.00 0.00 0.00 0.00 19.45 18.26 1g16 n ALA 88 CO 0.00 0.00 0.00 -0.92 0.00 0.00 0.00 177.50 176.58 1g16 h TYR 89 N 0.00 0.60 0.00 0.00 3.20 -1.81 -3.15 116.97 115.80 1g16 h TYR 89 Ca 0.00 -0.23 -0.10 0.00 3.14 0.00 0.00 58.73 61.54 1g16 h TYR 89 Cb 0.13 -0.11 -0.01 0.00 1.54 0.00 0.00 36.73 38.28 1g16 h TYR 89 CO 0.00 0.96 -0.46 1.88 -1.64 0.00 0.00 178.16 178.90 1g16 h TYR 90 N 0.07 0.00 -1.92 -3.82 -1.99 -1.13 -3.43 116.97 104.76 1g16 h TYR 90 Ca -0.01 0.00 -0.65 0.00 2.00 0.00 0.00 58.73 60.08 1g16 h TYR 90 Cb 0.95 0.00 0.03 0.00 2.00 0.00 0.00 36.73 39.71 1g16 h TYR 90 CO 0.11 0.46 0.96 -2.13 -0.00 0.00 0.00 178.16 177.55 1g16 n ARG 91 N -3.30 1.84 -0.34 4.88 0.63 -0.48 -0.94 116.66 118.96 1g16 n ARG 91 Ca 0.01 0.67 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1g16 n ARG 91 Cb 0.67 -2.45 0.00 0.00 0.45 0.00 0.00 32.46 31.12 1g16 n ARG 91 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1g16 n GLY 92 N 4.07 2.20 3.71 5.14 0.00 -1.26 -4.99 105.19 114.05 1g16 n GLY 92 Ca 0.22 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.96 1g16 n GLY 92 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1g16 s ALA 93 N -3.25 1.25 0.01 4.61 0.00 -0.11 -4.37 121.76 119.90 1g16 s ALA 93 Ca 0.00 -0.33 -0.03 0.00 0.00 0.00 0.00 51.96 51.60 1g16 s ALA 93 Cb 0.00 -3.11 -0.01 0.00 0.00 0.00 0.00 23.12 19.99 1g16 s ALA 93 CO 0.00 -2.61 0.06 0.41 0.00 0.00 0.00 175.76 173.62 1g16 n GLY 95 N -1.33 -0.06 2.80 0.00 0.00 -1.03 -4.52 105.19 101.04 1g16 n GLY 95 Ca 0.06 0.04 -0.24 0.00 0.00 0.00 0.00 46.02 45.89 1g16 n GLY 95 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1g16 s ILE 96 N -0.03 0.51 -0.27 -0.61 1.01 -0.29 -1.09 121.20 120.44 1g16 s ILE 96 Ca 0.06 0.03 -0.09 0.00 0.00 0.00 0.00 60.65 60.65 1g16 s ILE 96 Cb -0.08 -0.64 -0.04 0.00 0.01 0.00 0.00 42.46 41.71 1g16 s ILE 96 CO 0.04 0.28 0.14 -0.63 0.00 0.00 0.00 174.94 174.78 1g16 s ILE 97 N 1.90 4.87 -0.28 2.92 1.01 0.79 -1.85 121.20 130.56 1g16 s ILE 97 Ca 0.05 -0.01 -0.16 0.00 0.00 0.00 0.00 60.65 60.53 1g16 s ILE 97 Cb -0.12 -3.32 -0.03 0.00 0.01 0.00 0.00 42.46 39.00 1g16 s ILE 97 CO -0.06 0.27 0.44 -0.76 0.00 0.00 0.00 174.94 174.83 1g16 s LEU 98 N 1.69 4.09 -0.05 2.97 1.02 0.25 -0.24 118.68 128.40 1g16 s LEU 98 Ca 0.07 0.32 0.04 0.00 0.02 0.00 0.00 54.13 54.58 1g16 s LEU 98 Cb -0.16 -2.52 -0.02 0.00 0.02 0.00 0.00 46.19 43.51 1g16 s LEU 98 CO 0.08 -0.25 -0.18 -0.69 0.02 0.00 0.00 176.35 175.32 1g16 s VAL 99 N 2.19 2.73 0.31 -1.59 1.01 0.20 -0.27 120.40 124.97 1g16 s VAL 99 Ca 0.17 -0.84 0.03 0.00 0.00 0.00 0.00 61.98 61.34 1g16 s VAL 99 Cb -0.16 -2.05 -0.05 0.00 0.00 0.00 0.00 36.38 34.12 1g16 s VAL 99 CO 0.10 0.58 0.09 -0.72 0.00 0.00 0.00 175.10 175.15 1g16 s TYR 100 N -0.53 1.77 -0.29 5.22 1.13 -0.61 -4.24 117.35 119.81 1g16 s TYR 100 Ca 0.07 -1.10 -0.08 0.00 -1.41 0.00 0.00 57.07 54.55 1g16 s TYR 100 Cb -0.11 -1.11 -0.01 0.00 -1.10 0.00 0.00 41.96 39.63 1g16 s TYR 100 CO 0.01 -0.18 0.10 0.34 -2.51 0.00 0.00 175.55 173.32 1g16 s ASP 101 N -3.43 5.28 0.13 -0.18 -1.08 -1.26 -1.09 116.67 115.04 1g16 s ASP 101 Ca 0.35 -0.48 0.12 0.00 -0.52 0.00 0.00 52.55 52.02 1g16 s ASP 101 Cb 0.08 -1.94 0.59 0.00 -1.46 0.00 0.00 42.92 40.19 1g16 s ASP 101 CO 0.15 -0.14 1.37 2.30 0.52 0.00 0.00 175.17 179.37 1g16 n ILE 102 N 4.93 1.38 1.05 4.11 -5.35 -0.73 -0.97 119.36 123.77 1g16 n ILE 102 Ca -0.15 0.49 0.12 0.00 -0.27 0.00 0.00 62.75 62.94 1g16 n ILE 102 Cb 0.49 -1.44 0.11 0.00 -1.74 0.00 0.00 39.64 37.07 1g16 n ILE 102 CO 0.00 0.00 0.00 0.35 -1.76 0.00 0.00 176.55 175.14 1g16 n THR 103 N -1.83 0.00 -3.80 7.28 -2.24 -1.26 -0.22 114.28 112.21 1g16 n THR 103 Ca 0.00 -0.39 -0.30 0.00 -2.27 0.00 0.00 64.05 61.10 1g16 n THR 103 Cb 0.07 1.29 -0.15 0.00 -2.10 0.00 0.00 70.33 69.45 1g16 n THR 103 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1g16 s ASP 104 N -2.18 4.11 0.30 3.42 -1.08 -0.15 -4.61 116.67 116.49 1g16 s ASP 104 Ca 0.25 -2.03 0.07 0.00 -0.52 0.00 0.00 52.55 50.32 1g16 s ASP 104 Cb 0.19 -1.10 0.79 0.00 -1.46 0.00 0.00 42.92 41.35 1g16 s ASP 104 CO 0.40 -0.37 1.74 -0.08 0.52 0.00 0.00 175.17 177.39 1g16 h GLU 105 N 7.62 0.60 -0.66 4.34 4.57 -1.86 -2.08 114.58 127.10 1g16 h GLU 105 Ca -0.08 -0.04 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1g16 h GLU 105 Cb 0.99 -0.13 -0.04 0.00 -0.16 0.00 0.00 28.75 29.40 1g16 h GLU 105 CO 0.49 0.40 0.40 -0.09 -1.18 0.00 0.00 179.01 179.03 1g16 h ARG 106 N 0.62 0.75 0.00 1.92 2.43 -1.94 -0.20 114.38 117.95 1g16 h ARG 106 Ca 0.60 -0.05 -0.04 0.00 -0.81 0.00 0.00 59.98 59.68 1g16 h ARG 106 Cb 1.05 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.43 1g16 h ARG 106 CO -0.45 0.50 -0.21 1.79 -1.51 0.00 0.00 179.97 180.09 1g16 h THR 107 N 0.77 0.99 -0.00 0.20 1.35 -1.70 -0.55 112.91 113.98 1g16 h THR 107 Ca 0.27 -0.75 -0.13 0.00 -0.55 0.00 0.00 66.41 65.25 1g16 h THR 107 Cb 0.06 1.42 0.01 0.00 -1.73 0.00 0.00 68.15 67.91 1g16 h THR 107 CO -0.12 0.20 -0.53 0.15 -0.25 0.00 0.00 175.52 174.97 1g16 h PHE 108 N 0.00 0.53 -0.67 4.73 3.57 -1.31 -3.19 116.94 120.60 1g16 h PHE 108 Ca -0.00 -0.29 -0.00 0.00 3.53 0.00 0.00 57.97 61.21 1g16 h PHE 108 Cb 0.40 -0.06 -0.03 0.00 2.79 0.00 0.00 35.95 39.05 1g16 h PHE 108 CO 0.00 1.10 0.41 1.15 -2.23 0.00 0.00 178.31 178.74 1g16 h THR 109 N -0.19 1.19 0.00 4.41 2.02 -0.69 -1.65 112.91 117.99 1g16 h THR 109 Ca -0.07 -0.40 0.00 0.00 0.77 0.00 0.00 66.41 66.71 1g16 h THR 109 Cb 1.25 0.24 0.00 0.00 -1.74 0.00 0.00 68.15 67.90 1g16 h THR 109 CO 0.10 0.19 0.00 0.59 0.37 0.00 0.00 175.52 176.78 1g16 n ASN 110 N -4.41 0.04 -0.24 4.18 3.02 -0.25 -3.38 115.26 114.23 1g16 n ASN 110 Ca 0.07 0.51 0.04 0.00 -0.03 0.00 0.00 54.58 55.17 1g16 n ASN 110 Cb 0.07 -0.52 0.28 0.00 -0.61 0.00 0.00 39.78 39.00 1g16 n ASN 110 CO 0.00 0.00 0.00 0.40 -2.62 0.00 0.00 177.26 175.04 1g16 h ILE 111 N 0.00 1.08 -0.87 2.41 1.08 -1.28 -1.78 117.51 118.15 1g16 h ILE 111 Ca 0.00 -0.32 0.00 0.00 -0.39 0.00 0.00 64.86 64.16 1g16 h ILE 111 Cb 0.26 0.08 -0.04 0.00 -3.07 0.00 0.00 36.82 34.05 1g16 h ILE 111 CO 0.00 0.17 0.55 0.11 -0.69 0.00 0.00 178.15 178.29 1g16 h LYS 112 N 0.93 1.16 -0.40 2.37 1.57 -1.76 0.56 116.57 121.00 1g16 h LYS 112 Ca 0.33 -0.08 -0.07 0.00 -1.87 0.00 0.00 60.65 58.95 1g16 h LYS 112 Cb 0.14 -0.25 -0.01 0.00 0.08 0.00 0.00 32.23 32.18 1g16 h LYS 112 CO -0.11 0.79 -0.04 1.96 -0.57 0.00 0.00 179.45 181.48 1g16 h GLN 113 N 1.19 0.72 -0.54 3.15 1.08 -1.58 -1.91 115.11 117.22 1g16 h GLN 113 Ca 0.32 -0.25 -0.00 0.00 -1.45 0.00 0.00 58.65 57.26 1g16 h GLN 113 Cb -0.10 -0.06 -0.03 0.00 -0.05 0.00 0.00 27.48 27.25 1g16 h GLN 113 CO -0.06 0.83 0.32 -1.49 -0.95 0.00 0.00 178.83 177.48 1g16 h TRP 114 N 0.54 0.72 -0.51 2.96 4.06 -0.88 -0.55 115.95 122.28 1g16 h TRP 114 Ca 0.11 -0.00 0.06 0.00 2.06 0.00 0.00 58.89 61.11 1g16 h TRP 114 Cb 0.53 -0.23 -0.05 0.00 -1.00 0.00 0.00 29.16 28.40 1g16 h TRP 114 CO 0.04 0.50 0.22 0.35 -3.56 0.00 0.00 178.44 175.99 1g16 h PHE 115 N 0.73 0.39 0.08 0.49 3.57 -0.77 0.68 116.94 122.11 1g16 h PHE 115 Ca 0.19 0.02 -0.00 0.00 3.53 0.00 0.00 57.97 61.71 1g16 h PHE 115 Cb -0.01 -0.10 0.00 0.00 2.79 0.00 0.00 35.95 38.63 1g16 h PHE 115 CO -0.02 0.16 -0.04 -0.22 -2.23 0.00 0.00 178.31 175.96 1g16 h LYS 116 N 0.43 -0.10 -0.43 1.11 3.64 -0.84 -0.57 116.57 119.80 1g16 h LYS 116 Ca 0.24 0.01 0.03 0.00 -1.27 0.00 0.00 60.65 59.66 1g16 h LYS 116 Cb 0.21 0.02 -0.04 0.00 -0.41 0.00 0.00 32.23 32.02 1g16 h LYS 116 CO -0.21 -0.03 0.22 1.15 -2.27 0.00 0.00 179.45 178.32 1g16 h THR 117 N -0.15 0.98 -0.66 1.00 2.02 -0.71 -1.16 112.91 114.23 1g16 h THR 117 Ca -0.01 -0.15 -0.03 0.00 0.77 0.00 0.00 66.41 66.99 1g16 h THR 117 Cb 0.12 0.50 -0.03 0.00 -1.74 0.00 0.00 68.15 66.99 1g16 h THR 117 CO 0.02 0.08 0.31 0.58 0.37 0.00 0.00 175.52 176.87 1g16 h VAL 118 N 0.44 1.23 -0.20 3.16 2.07 -0.70 -2.76 116.25 119.49 1g16 h VAL 118 Ca 0.19 -0.66 -0.08 0.00 0.82 0.00 0.00 66.70 66.97 1g16 h VAL 118 Cb 0.09 0.44 -0.01 0.00 -1.52 0.00 0.00 31.29 30.28 1g16 h VAL 118 CO -0.13 0.27 -0.21 0.78 0.02 0.00 0.00 177.57 178.30 1g16 h ASN 119 N 0.92 0.35 0.03 0.57 2.35 -0.71 0.30 115.58 119.38 1g16 h ASN 119 Ca 0.23 -0.10 0.00 0.00 -0.55 0.00 0.00 56.30 55.88 1g16 h ASN 119 Cb 0.14 -0.09 0.00 0.00 0.05 0.00 0.00 38.32 38.41 1g16 h ASN 119 CO -0.03 0.57 -0.00 -0.62 -1.65 0.00 0.00 177.43 175.70 1g16 n GLU 120 N -4.17 1.07 0.00 0.81 1.02 -0.47 -4.25 120.64 114.65 1g16 n GLU 120 Ca -0.00 -0.15 0.00 0.00 -0.02 0.00 0.00 57.16 56.98 1g16 n GLU 120 Cb 0.35 -1.50 0.00 0.00 -0.02 0.00 0.00 31.44 30.28 1g16 n GLU 120 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 1g16 n HIS 121 N -0.83 0.00 -2.30 -0.32 8.25 -0.96 -5.08 115.22 113.98 1g16 n HIS 121 Ca 0.23 0.00 -0.27 0.00 -0.26 0.00 0.00 57.72 57.42 1g16 n HIS 121 Cb 0.16 0.00 0.04 0.00 1.12 0.00 0.00 29.99 31.30 1g16 n HIS 121 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1g16 s ALA 122 N -0.40 3.22 0.64 -1.41 0.00 0.10 -4.88 121.76 119.03 1g16 s ALA 122 Ca 0.00 -0.65 -0.18 0.00 0.00 0.00 0.00 51.96 51.13 1g16 s ALA 122 Cb 0.00 -2.67 -0.03 0.00 0.00 0.00 0.00 23.12 20.42 1g16 s ALA 122 CO 0.00 -0.89 1.04 -1.71 0.00 0.00 0.00 175.76 174.20 1g16 n ASN 123 N -2.68 1.00 0.27 0.00 2.85 -1.26 -4.87 115.26 110.57 1g16 n ASN 123 Ca 0.05 0.78 0.15 0.00 -0.11 0.00 0.00 54.58 55.46 1g16 n ASN 123 Cb 0.58 -1.43 0.74 0.00 1.24 0.00 0.00 39.78 40.90 1g16 n ASN 123 CO 0.00 0.00 0.00 -2.24 -2.11 0.00 0.00 177.26 172.91 1g16 h ASP 124 N 0.35 0.00 -0.21 1.20 2.03 -1.95 -2.81 116.42 115.02 1g16 h ASP 124 Ca -0.49 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.81 1g16 h ASP 124 Cb 1.36 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.86 1g16 h ASP 124 CO 0.51 0.08 0.00 -0.62 -1.03 0.00 0.00 179.24 178.18 1g16 n GLU 125 N -3.33 2.30 -1.96 4.15 -0.58 -1.26 -4.97 120.64 115.00 1g16 n GLU 125 Ca -0.01 -1.93 -0.41 0.00 -0.42 0.00 0.00 57.16 54.39 1g16 n GLU 125 Cb 0.27 -1.48 -0.01 0.00 -0.57 0.00 0.00 31.44 29.65 1g16 n GLU 125 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1g16 s ALA 126 N -1.75 3.54 -0.19 0.62 0.00 -1.06 -4.98 121.76 117.94 1g16 s ALA 126 Ca 0.34 1.42 -0.12 0.00 0.00 0.00 0.00 51.96 53.61 1g16 s ALA 126 Cb 0.21 -3.55 -0.05 0.00 0.00 0.00 0.00 23.12 19.74 1g16 s ALA 126 CO 0.31 -0.85 0.21 -1.14 0.00 0.00 0.00 175.76 174.28 1g16 s GLN 127 N -1.93 4.20 0.28 0.00 2.00 -1.26 -4.95 119.66 117.98 1g16 s GLN 127 Ca 0.51 -0.09 0.06 0.00 -2.00 0.00 0.00 55.36 53.84 1g16 s GLN 127 Cb -0.43 -3.45 -0.02 0.00 0.80 0.00 0.00 33.01 29.90 1g16 s GLN 127 CO 0.58 0.22 0.36 -0.51 -0.50 0.00 0.00 175.29 175.44 1g16 s LEU 128 N 0.57 4.09 -0.20 3.68 1.02 -1.26 -1.13 118.68 125.45 1g16 s LEU 128 Ca 0.12 -0.10 -0.14 0.00 0.02 0.00 0.00 54.13 54.03 1g16 s LEU 128 Cb -0.12 -2.70 0.06 0.00 0.02 0.00 0.00 46.19 43.44 1g16 s LEU 128 CO 0.02 -0.19 0.50 -0.22 0.02 0.00 0.00 176.35 176.47 1g16 s LEU 129 N -4.02 -0.15 -0.19 1.79 2.96 -0.77 -4.25 118.68 114.04 1g16 s LEU 129 Ca 0.38 1.05 -0.10 0.00 -0.22 0.00 0.00 54.13 55.24 1g16 s LEU 129 Cb -0.09 1.69 -0.05 0.00 0.50 0.00 0.00 46.19 48.25 1g16 s LEU 129 CO 0.29 -0.19 0.13 -0.22 -1.32 0.00 0.00 176.35 175.04 1g16 s LEU 130 N 0.92 4.23 -0.11 -0.68 2.96 -0.09 -0.58 118.68 125.33 1g16 s LEU 130 Ca -0.05 0.26 0.02 0.00 -0.22 0.00 0.00 54.13 54.14 1g16 s LEU 130 Cb -0.06 -2.10 0.01 0.00 0.50 0.00 0.00 46.19 44.55 1g16 s LEU 130 CO -0.08 0.20 -0.18 -0.69 -1.32 0.00 0.00 176.35 174.29 1g16 s VAL 131 N 0.23 1.66 -0.42 1.68 1.01 0.63 -1.29 120.40 123.90 1g16 s VAL 131 Ca 0.09 -0.75 -0.14 0.00 0.00 0.00 0.00 61.98 61.18 1g16 s VAL 131 Cb -0.11 -1.49 0.04 0.00 0.00 0.00 0.00 36.38 34.82 1g16 s VAL 131 CO -0.01 0.47 0.30 -0.83 0.00 0.00 0.00 175.10 175.03 1g16 s GLY 132 N 0.81 2.00 0.40 4.51 0.00 -0.15 -1.57 107.32 113.33 1g16 s GLY 132 Ca -0.10 -1.85 0.04 0.00 0.00 0.00 0.00 44.72 42.81 1g16 s GLY 132 CO 0.01 0.94 0.57 0.21 0.00 0.00 0.00 173.10 174.83 1g16 s ASN 133 N 1.91 5.84 -0.49 1.64 2.47 -0.25 -0.58 114.94 125.48 1g16 s ASN 133 Ca 0.04 -0.03 -0.02 0.00 0.42 0.00 0.00 52.86 53.26 1g16 s ASN 133 Cb -0.21 -1.25 0.00 0.00 -1.45 0.00 0.00 41.25 38.35 1g16 s ASN 133 CO 0.08 -0.61 0.30 0.29 -3.72 0.00 0.00 177.10 173.44 1g16 n LYS 134 N -1.87 -2.17 0.00 0.43 5.02 -0.49 -1.78 118.16 117.30 1g16 n LYS 134 Ca 0.02 0.29 0.06 0.00 -2.02 0.00 0.00 58.31 56.66 1g16 n LYS 134 Cb 0.58 -3.77 0.28 0.00 -0.02 0.00 0.00 35.03 32.10 1g16 n LYS 134 CO 0.00 0.00 0.00 -1.13 -0.52 0.00 0.00 177.40 175.75 1g16 n SER 135 N 0.15 0.00 -3.04 4.39 3.41 -0.41 -4.75 113.62 113.37 1g16 n SER 135 Ca -0.02 0.31 -0.33 0.00 -0.26 0.00 0.00 58.87 58.58 1g16 n SER 135 Cb 0.53 -0.40 -0.06 0.00 -0.26 0.00 0.00 64.21 64.03 1g16 n SER 135 CO 0.00 0.00 0.00 -0.90 -0.16 0.00 0.00 175.04 173.98 1g16 n ASP 136 N -1.40 7.88 0.00 4.04 5.75 -1.26 -5.04 116.55 126.52 1g16 n ASP 136 Ca 0.04 -2.54 0.00 0.00 -0.01 0.00 0.00 54.79 52.29 1g16 n ASP 136 Cb 0.12 -1.50 0.00 0.00 -1.03 0.00 0.00 41.12 38.71 1g16 n ASP 136 CO 0.00 0.00 0.00 -0.62 -0.11 0.00 0.00 177.20 176.47 1g16 n GLU 138 N 3.39 3.26 -0.13 0.11 -0.58 -1.26 -5.07 120.64 120.37 1g16 n GLU 138 Ca 0.70 0.00 0.02 0.00 -0.42 0.00 0.00 57.16 57.46 1g16 n GLU 138 Cb 0.36 -0.44 0.07 0.00 -0.57 0.00 0.00 31.44 30.85 1g16 n GLU 138 CO 0.00 0.00 0.00 0.25 -0.48 0.00 0.00 177.13 176.90 1g16 n THR 139 N -0.42 0.37 -1.65 2.62 -2.24 -1.26 -4.92 114.28 106.78 1g16 n THR 139 Ca 0.00 -0.22 -0.44 0.00 -2.27 0.00 0.00 64.05 61.11 1g16 n THR 139 Cb 0.00 -0.25 -0.02 0.00 -2.10 0.00 0.00 70.33 67.96 1g16 n THR 139 CO 0.00 0.00 0.00 -1.14 -0.57 0.00 0.00 175.07 173.36 1g16 n ARG 140 N 0.03 1.81 0.00 -0.78 0.63 -1.26 -4.60 116.66 112.48 1g16 n ARG 140 Ca 0.05 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.62 1g16 n ARG 140 Cb 0.30 -2.18 0.00 0.00 0.45 0.00 0.00 32.46 31.03 1g16 n ARG 140 CO 0.00 0.00 0.00 1.33 -2.51 0.00 0.00 177.63 176.45 1g16 n VAL 141 N 0.91 0.00 -3.89 5.15 0.24 0.69 -4.93 118.33 116.51 1g16 n VAL 141 Ca 0.09 -0.33 -0.35 0.00 -2.04 0.00 0.00 64.34 61.71 1g16 n VAL 141 Cb 0.32 1.02 -0.14 0.00 -1.47 0.00 0.00 33.84 33.57 1g16 n VAL 141 CO 0.00 0.00 0.00 -0.69 -2.14 0.00 0.00 176.83 174.00 1g16 s VAL 142 N -0.63 3.44 0.59 3.34 1.01 -0.44 -4.95 120.40 122.76 1g16 s VAL 142 Ca 0.00 -0.55 -0.13 0.00 0.00 0.00 0.00 61.98 61.30 1g16 s VAL 142 Cb 0.00 -2.61 -0.05 0.00 0.00 0.00 0.00 36.38 33.72 1g16 s VAL 142 CO 0.00 0.36 1.02 0.42 0.00 0.00 0.00 175.10 176.90 1g16 s THR 143 N 1.47 4.52 0.39 3.92 -4.23 -1.26 -4.90 115.64 115.55 1g16 s THR 143 Ca 0.05 0.96 0.05 0.00 -1.18 0.00 0.00 61.69 61.58 1g16 s THR 143 Cb -0.15 -3.74 0.26 0.00 1.34 0.00 0.00 72.50 70.22 1g16 s THR 143 CO -0.02 -0.93 2.04 0.00 -0.54 0.00 0.00 174.62 175.17 1g16 h ALA 144 N 0.09 1.65 -0.58 3.99 0.00 -1.99 -1.62 119.26 120.80 1g16 h ALA 144 Ca -0.45 -0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1g16 h ALA 144 Cb 1.19 -0.19 -0.03 0.00 0.00 0.00 0.00 17.79 18.76 1g16 h ALA 144 CO 0.61 0.32 0.10 -0.44 0.00 0.00 0.00 179.25 179.84 1g16 h ASP 145 N 0.65 0.89 -0.36 0.00 3.32 -1.98 0.01 116.42 118.95 1g16 h ASP 145 Ca 0.18 -0.19 -0.05 0.00 0.02 0.00 0.00 57.03 56.98 1g16 h ASP 145 Cb -0.07 -0.23 -0.01 0.00 0.22 0.00 0.00 39.33 39.23 1g16 h ASP 145 CO -0.04 0.89 0.03 1.56 -1.72 0.00 0.00 179.24 179.96 1g16 h GLN 146 N 0.88 0.61 -0.40 3.56 4.20 -1.69 -0.28 115.11 121.99 1g16 h GLN 146 Ca 0.18 -0.18 -0.02 0.00 0.06 0.00 0.00 58.65 58.69 1g16 h GLN 146 Cb 0.38 -0.06 -0.02 0.00 0.30 0.00 0.00 27.48 28.08 1g16 h GLN 146 CO 0.01 0.71 0.18 0.78 -0.67 0.00 0.00 178.83 179.84 1g16 h GLY 147 N 0.44 0.63 1.21 3.46 0.00 -1.13 -1.55 103.07 106.12 1g16 h GLY 147 Ca 0.10 -0.32 0.00 0.00 0.00 0.00 0.00 47.33 47.11 1g16 h GLY 147 CO 0.01 0.31 0.50 0.83 0.00 0.00 0.00 176.54 178.19 1g16 h GLU 148 N 0.51 1.06 -0.50 4.80 5.08 -0.85 -1.35 114.58 123.32 1g16 h GLU 148 Ca 0.14 -0.08 -0.11 0.00 -1.00 0.00 0.00 59.36 58.30 1g16 h GLU 148 Cb 0.14 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.15 1g16 h GLU 148 CO -0.02 0.72 -0.12 0.00 -1.00 0.00 0.00 179.01 178.59 1g16 h ALA 149 N 1.47 0.69 -0.48 3.43 0.00 -0.73 -1.72 119.26 121.92 1g16 h ALA 149 Ca 0.29 -0.35 -0.12 0.00 0.00 0.00 0.00 54.91 54.73 1g16 h ALA 149 Cb -0.08 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.52 1g16 h ALA 149 CO -0.06 0.61 -0.15 1.25 0.00 0.00 0.00 179.25 180.90 1g16 h LEU 150 N 0.83 0.98 -0.59 0.00 5.85 -0.90 -1.36 115.31 120.11 1g16 h LEU 150 Ca 0.13 -0.37 0.00 0.00 0.84 0.00 0.00 57.88 58.47 1g16 h LEU 150 Cb 0.69 -0.27 -0.03 0.00 0.37 0.00 0.00 40.66 41.42 1g16 h LEU 150 CO 0.05 1.13 0.38 0.00 -0.34 0.00 0.00 178.44 179.65 1g16 h ALA 151 N 0.88 0.75 -0.19 1.25 0.00 -1.17 -0.52 119.26 120.26 1g16 h ALA 151 Ca 0.12 -0.06 -0.00 0.00 0.00 0.00 0.00 54.91 54.97 1g16 h ALA 151 Cb 0.72 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 18.26 1g16 h ALA 151 CO 0.06 0.21 0.11 -0.22 0.00 0.00 0.00 179.25 179.40 1g16 h LYS 152 N 0.80 0.27 -0.72 0.00 3.64 -1.16 0.22 116.57 119.61 1g16 h LYS 152 Ca 0.21 -0.03 0.05 0.00 -1.27 0.00 0.00 60.65 59.62 1g16 h LYS 152 Cb -0.06 -0.05 -0.04 0.00 -0.41 0.00 0.00 32.23 31.66 1g16 h LYS 152 CO -0.04 0.26 0.48 1.49 -2.27 0.00 0.00 179.45 179.36 1g16 h GLU 153 N 0.21 0.77 0.00 1.90 4.81 -0.86 -1.10 114.58 120.31 1g16 h GLU 153 Ca 0.07 -0.05 0.00 0.00 -0.13 0.00 0.00 59.36 59.25 1g16 h GLU 153 Cb 0.07 -0.17 0.00 0.00 0.63 0.00 0.00 28.75 29.28 1g16 h GLU 153 CO -0.01 0.51 -0.38 1.28 -0.73 0.00 0.00 179.01 179.68 1g16 n LEU 154 N -4.47 0.70 -0.43 1.64 4.77 -0.24 -4.96 117.00 114.01 1g16 n LEU 154 Ca 0.10 0.34 -0.02 0.00 -0.03 0.00 0.00 56.01 56.40 1g16 n LEU 154 Cb 0.19 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.04 1g16 n LEU 154 CO 0.34 -0.09 -0.01 0.61 -1.33 0.00 0.00 177.39 176.91 1g16 n GLY 155 N 1.34 0.45 3.21 -0.72 0.00 0.62 -5.06 105.19 105.03 1g16 n GLY 155 Ca 0.04 -0.73 -0.13 0.00 0.00 0.00 0.00 46.02 45.20 1g16 n GLY 155 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1g16 s ILE 156 N -2.41 0.97 0.78 -0.61 -4.36 -0.34 -5.02 121.20 110.21 1g16 s ILE 156 Ca 0.02 -1.90 -0.12 0.00 -0.26 0.00 0.00 60.65 58.39 1g16 s ILE 156 Cb -0.01 -1.66 0.07 0.00 1.25 0.00 0.00 42.46 42.11 1g16 s ILE 156 CO 0.02 -0.73 1.13 -2.16 0.24 0.00 0.00 174.94 173.45 1g16 s PRO 157 N -3.49 2.02 -0.01 0.37 0.04 -1.26 -4.32 135.00 128.36 1g16 s PRO 157 Ca 0.12 1.42 0.03 0.00 0.04 0.00 0.00 61.00 62.61 1g16 s PRO 157 Cb 0.02 -1.85 -0.01 0.00 0.04 0.00 0.00 34.50 32.70 1g16 s PRO 157 CO -0.01 -1.86 -0.10 0.12 0.04 0.00 0.00 177.00 175.19 1g16 s PHE 158 N -2.56 0.91 -0.06 0.56 5.36 -1.26 -0.91 117.98 120.01 1g16 s PHE 158 Ca 0.66 -0.18 -0.06 0.00 -0.96 0.00 0.00 56.93 56.40 1g16 s PHE 158 Cb -0.21 -0.59 0.02 0.00 -0.34 0.00 0.00 43.02 41.89 1g16 s PHE 158 CO 0.52 -0.02 0.16 0.42 -1.46 0.00 0.00 175.22 174.84 1g16 s ILE 159 N -0.19 -0.00 -0.13 3.12 1.01 -0.41 -4.98 121.20 119.61 1g16 s ILE 159 Ca 0.03 0.01 -0.04 0.00 0.00 0.00 0.00 60.65 60.64 1g16 s ILE 159 Cb -0.04 -0.24 -0.03 0.00 0.01 0.00 0.00 42.46 42.15 1g16 s ILE 159 CO -0.00 0.00 0.02 -1.61 0.00 0.00 0.00 174.94 173.35 1g16 s GLU 160 N 0.12 3.48 0.28 2.79 2.02 -1.26 -0.97 118.70 125.15 1g16 s GLU 160 Ca -0.00 -0.39 0.02 0.00 0.02 0.00 0.00 54.97 54.62 1g16 s GLU 160 Cb -0.01 -2.98 -0.04 0.00 0.10 0.00 0.00 34.13 31.19 1g16 s GLU 160 CO -0.00 0.48 0.14 -1.54 0.02 0.00 0.00 175.26 174.35 1g16 s SER 161 N -0.24 1.25 -0.26 -0.19 1.04 0.25 -4.67 113.70 110.89 1g16 s SER 161 Ca 0.06 -1.49 -0.02 0.00 0.48 0.00 0.00 55.95 54.99 1g16 s SER 161 Cb -0.12 0.32 0.12 0.00 0.10 0.00 0.00 66.02 66.44 1g16 s SER 161 CO 0.02 -0.84 0.27 -0.55 0.98 0.00 0.00 173.24 173.12 1g16 s SER 162 N -3.33 1.57 0.29 7.02 0.15 -0.48 -1.28 113.70 117.64 1g16 s SER 162 Ca 0.37 -0.52 0.04 0.00 0.70 0.00 0.00 55.95 56.54 1g16 s SER 162 Cb 0.06 0.46 0.44 0.00 -1.71 0.00 0.00 66.02 65.27 1g16 s SER 162 CO 0.16 -0.36 1.72 0.00 1.20 0.00 0.00 173.24 175.96 1g16 h ALA 163 N 8.28 1.12 0.03 5.45 0.00 -1.91 0.85 119.26 133.09 1g16 h ALA 163 Ca -0.16 -0.35 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1g16 h ALA 163 Cb 1.11 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.79 1g16 h ALA 163 CO 0.32 0.55 -0.02 -0.22 0.00 0.00 0.00 179.25 179.89 1g16 h LYS 164 N 0.36 -0.04 -0.64 0.00 3.64 -1.94 -3.11 116.57 114.83 1g16 h LYS 164 Ca 0.05 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 1g16 h LYS 164 Cb 0.69 0.01 0.00 0.00 -0.41 0.00 0.00 32.23 32.52 1g16 h LYS 164 CO 0.05 0.06 0.00 0.09 -2.27 0.00 0.00 179.45 177.39 1g16 n ASN 165 N -5.06 3.54 -3.70 4.20 5.03 -1.19 -4.94 115.26 113.15 1g16 n ASN 165 Ca -0.08 -2.05 -0.21 0.00 0.87 0.00 0.00 54.58 53.11 1g16 n ASN 165 Cb 0.09 -0.44 0.03 0.00 -1.02 0.00 0.00 39.78 38.44 1g16 n ASN 165 CO 0.00 0.00 0.00 -0.67 -1.83 0.00 0.00 177.26 174.76 1g16 n ASP 166 N 1.33 -1.30 -4.41 6.41 2.03 0.11 -4.97 116.55 115.75 1g16 n ASP 166 Ca 0.22 -0.81 -0.36 0.00 0.52 0.00 0.00 54.79 54.35 1g16 n ASP 166 Cb 0.57 -4.10 -0.13 0.00 -0.72 0.00 0.00 41.12 36.75 1g16 n ASP 166 CO 0.00 0.00 0.00 -0.62 -1.92 0.00 0.00 177.20 174.66 1g16 s ASP 167 N -4.33 4.96 -1.95 1.67 -1.08 -0.14 -4.61 116.67 111.18 1g16 s ASP 167 Ca 0.02 -0.28 0.00 0.00 -0.52 0.00 0.00 52.55 51.77 1g16 s ASP 167 Cb -0.01 -1.88 0.00 0.00 -1.46 0.00 0.00 42.92 39.57 1g16 s ASP 167 CO 0.81 -0.04 0.00 0.59 0.52 0.00 0.00 175.17 177.05 1g16 n ASN 168 N 4.90 -5.08 -0.03 -0.34 3.02 -1.26 -1.38 115.26 115.09 1g16 n ASN 168 Ca -0.16 0.40 -0.15 0.00 -0.03 0.00 0.00 54.58 54.63 1g16 n ASN 168 Cb 0.51 -4.48 -0.09 0.00 -0.61 0.00 0.00 39.78 35.11 1g16 n ASN 168 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1g16 h VAL 169 N 0.00 1.40 -0.26 2.41 2.07 -1.86 -3.07 116.25 116.93 1g16 h VAL 169 Ca -0.40 -1.77 -0.07 0.00 0.82 0.00 0.00 66.70 65.29 1g16 h VAL 169 Cb 1.25 2.26 -0.01 0.00 -1.52 0.00 0.00 31.29 33.27 1g16 h VAL 169 CO 0.56 0.52 -0.12 0.78 0.02 0.00 0.00 177.57 179.33 1g16 h ASN 170 N -0.02 0.41 -0.59 0.57 2.35 -1.93 -2.56 115.58 113.81 1g16 h ASN 170 Ca -0.03 -0.10 0.01 0.00 -0.55 0.00 0.00 56.30 55.63 1g16 h ASN 170 Cb 1.05 -0.11 -0.03 0.00 0.05 0.00 0.00 38.32 39.28 1g16 h ASN 170 CO 0.08 0.57 0.39 -0.08 -1.65 0.00 0.00 177.43 176.74 1g16 h GLU 171 N 0.40 0.77 0.24 0.81 4.81 -1.95 -1.42 114.58 118.23 1g16 h GLU 171 Ca 0.08 -0.05 0.01 0.00 -0.13 0.00 0.00 59.36 59.27 1g16 h GLU 171 Cb 0.46 -0.17 -0.03 0.00 0.63 0.00 0.00 28.75 29.63 1g16 h GLU 171 CO 0.03 0.51 -0.37 0.82 -0.73 0.00 0.00 179.01 179.27 1g16 h ILE 172 N 0.80 0.24 -0.44 2.32 2.04 -1.36 -0.10 117.51 121.01 1g16 h ILE 172 Ca 0.22 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.94 1g16 h ILE 172 Cb -0.09 0.24 -0.01 0.00 -0.74 0.00 0.00 36.82 36.22 1g16 h ILE 172 CO -0.05 0.00 -0.26 -0.26 0.00 0.00 0.00 178.15 177.58 1g16 h PHE 173 N -0.68 1.11 -0.49 1.37 0.04 -1.57 -2.09 116.94 114.63 1g16 h PHE 173 Ca 0.00 -0.29 -0.13 0.00 2.80 0.00 0.00 57.97 60.35 1g16 h PHE 173 Cb 0.66 -0.25 -0.01 0.00 2.20 0.00 0.00 35.95 38.54 1g16 h PHE 173 CO -0.27 1.11 -0.20 0.74 -0.60 0.00 0.00 178.31 179.09 1g16 h PHE 174 N 0.79 1.15 -0.10 -0.55 -1.00 -1.21 0.12 116.94 116.13 1g16 h PHE 174 Ca 0.09 -0.27 -0.00 0.00 2.81 0.00 0.00 57.97 60.60 1g16 h PHE 174 Cb 0.85 -0.27 -0.00 0.00 3.61 0.00 0.00 35.95 40.13 1g16 h PHE 174 CO 0.06 1.10 0.06 1.15 -1.61 0.00 0.00 178.31 179.07 1g16 h THR 175 N 0.87 1.07 -0.59 -1.55 2.02 -0.97 -1.57 112.91 112.19 1g16 h THR 175 Ca 0.12 -0.18 -0.06 0.00 0.77 0.00 0.00 66.41 67.06 1g16 h THR 175 Cb 0.78 1.00 -0.02 0.00 -1.74 0.00 0.00 68.15 68.17 1g16 h THR 175 CO 0.06 0.06 0.12 0.25 0.37 0.00 0.00 175.52 176.38 1g16 h LEU 176 N 0.09 0.92 -0.77 2.58 5.85 -1.27 -2.53 115.31 120.18 1g16 h LEU 176 Ca 0.04 -0.25 -0.02 0.00 0.84 0.00 0.00 57.88 58.49 1g16 h LEU 176 Cb 0.04 -0.24 -0.04 0.00 0.37 0.00 0.00 40.66 40.79 1g16 h LEU 176 CO -0.01 0.93 0.41 0.00 -0.34 0.00 0.00 178.44 179.44 1g16 h ALA 177 N 1.02 0.98 -0.69 1.25 0.00 -0.56 -1.65 119.26 119.61 1g16 h ALA 177 Ca 0.18 -0.12 -0.07 0.00 0.00 0.00 0.00 54.91 54.90 1g16 h ALA 177 Cb 0.39 -0.31 -0.03 0.00 0.00 0.00 0.00 17.79 17.85 1g16 h ALA 177 CO 0.01 0.50 0.15 0.87 0.00 0.00 0.00 179.25 180.78 1g16 h LYS 178 N 1.06 1.12 -0.40 0.00 1.57 -1.17 -0.46 116.57 118.30 1g16 h LYS 178 Ca 0.27 -0.28 -0.08 0.00 -1.87 0.00 0.00 60.65 58.69 1g16 h LYS 178 Cb 0.05 -0.14 -0.02 0.00 0.08 0.00 0.00 32.23 32.20 1g16 h LYS 178 CO -0.04 1.00 -0.08 -0.07 -0.57 0.00 0.00 179.45 179.69 1g16 h LEU 179 N 1.05 0.66 -0.27 2.94 3.38 -1.15 -2.10 115.31 119.81 1g16 h LEU 179 Ca 0.21 -0.17 -0.08 0.00 0.09 0.00 0.00 57.88 57.93 1g16 h LEU 179 Cb 0.40 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 1g16 h LEU 179 CO 0.01 0.78 -0.14 0.40 0.09 0.00 0.00 178.44 179.58 1g16 h ILE 180 N 0.63 1.30 -0.43 1.22 2.04 -0.95 -2.79 117.51 118.51 1g16 h ILE 180 Ca 0.12 -1.23 0.04 0.00 1.00 0.00 0.00 64.86 64.78 1g16 h ILE 180 Cb 0.51 1.51 -0.02 0.00 -0.74 0.00 0.00 36.82 38.08 1g16 h ILE 180 CO 0.03 0.39 0.29 -0.61 0.00 0.00 0.00 178.15 178.25 1g16 h GLN 181 N 0.31 0.43 -0.40 2.37 5.75 -0.85 -1.65 115.11 121.08 1g16 h GLN 181 Ca 0.06 -0.03 -0.06 0.00 -0.15 0.00 0.00 58.65 58.47 1g16 h GLN 181 Cb 0.65 -0.10 -0.01 0.00 1.07 0.00 0.00 27.48 29.09 1g16 h GLN 181 CO 0.04 0.28 -0.00 1.49 -2.65 0.00 0.00 178.83 177.99 1g16 h GLU 182 N 0.44 0.70 -0.35 1.69 4.81 -1.14 -2.59 114.58 118.15 1g16 h GLU 182 Ca 0.18 -0.23 -0.03 0.00 -0.13 0.00 0.00 59.36 59.15 1g16 h GLU 182 Cb 0.16 -0.06 -0.01 0.00 0.63 0.00 0.00 28.75 29.46 1g16 h GLU 182 CO -0.04 0.79 0.10 0.87 -0.73 0.00 0.00 179.01 180.00 1g16 h LYS 183 N 0.53 0.55 -0.98 1.92 1.57 -1.13 -2.47 116.57 116.56 1g16 h LYS 183 Ca 0.11 -0.12 0.14 0.00 -1.87 0.00 0.00 60.65 58.90 1g16 h LYS 183 Cb 0.48 -0.08 -0.09 0.00 0.08 0.00 0.00 32.23 32.63 1g16 h LYS 183 CO 0.02 0.59 0.60 0.82 -0.57 0.00 0.00 179.45 180.90 1g16 h ILE 184 N 0.41 0.86 -0.00 1.86 2.04 -1.26 -2.02 117.51 119.39 1g16 h ILE 184 Ca 0.11 -0.31 0.00 0.00 1.00 0.00 0.00 64.86 65.66 1g16 h ILE 184 Cb 0.28 -0.12 0.00 0.00 -0.74 0.00 0.00 36.82 36.24 1g16 h ILE 184 CO -0.00 0.16 -0.14 0.47 0.00 0.00 0.00 178.15 178.65 1g16 n ASP 185 N -4.68 0.37 -0.51 1.72 8.00 -0.98 -5.12 116.55 115.34 1g16 n ASP 185 Ca 0.19 -0.32 0.14 0.00 0.71 0.00 0.00 54.79 55.51 1g16 n ASP 185 Cb 0.40 -0.11 0.50 0.00 -0.02 0.00 0.00 41.12 41.88 1g16 n ASP 185 CO 0.00 0.00 0.00 -1.54 -0.39 0.00 0.00 177.20 175.27