#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aq4 n SER 2 N 0.00 0.00 -0.48 0.00 2.88 -1.26 -5.07 113.62 109.69 1aq4 n SER 2 Ca 0.00 0.00 0.11 0.00 -1.33 0.00 0.00 58.87 57.65 1aq4 n SER 2 Cb 0.00 0.00 0.07 0.00 -0.75 0.00 0.00 64.21 63.53 1aq4 n SER 2 CO 0.00 0.00 0.00 -0.46 -1.23 0.00 0.00 175.04 173.35 1aq4 n ASN 3 N 0.00 1.90 -4.49 -3.46 2.04 -1.26 -4.76 115.26 105.24 1aq4 n ASN 3 Ca 0.00 -1.44 -0.40 0.00 -0.44 0.00 0.00 54.58 52.31 1aq4 n ASN 3 Cb 0.00 0.40 -0.01 0.00 -2.53 0.00 0.00 39.78 37.63 1aq4 n ASN 3 CO 0.00 0.00 0.00 0.33 -0.44 0.00 0.00 177.26 177.15 1aq4 n PHE 4 N -0.06 4.09 -4.29 -2.53 7.35 -1.26 -4.86 117.46 115.89 1aq4 n PHE 4 Ca 0.10 -2.52 -0.16 0.00 -0.76 0.00 0.00 57.45 54.11 1aq4 n PHE 4 Cb 0.45 -2.61 -0.10 0.00 0.35 0.00 0.00 39.48 37.57 1aq4 n PHE 4 CO 0.00 0.00 0.00 0.95 -0.76 0.00 0.00 176.76 176.95 1aq4 s THR 5 N 5.67 0.47 0.42 -2.13 -4.23 -1.26 -4.89 115.64 109.69 1aq4 s THR 5 Ca 0.57 -2.00 -0.25 0.00 -1.18 0.00 0.00 61.69 58.83 1aq4 s THR 5 Cb 0.04 -2.59 -0.08 0.00 1.34 0.00 0.00 72.50 71.21 1aq4 s THR 5 CO 0.08 -0.02 1.23 -1.58 -0.54 0.00 0.00 174.62 173.79 1aq4 s GLN 6 N -4.05 3.93 0.17 3.99 0.74 -1.26 -4.65 119.66 118.53 1aq4 s GLN 6 Ca 0.37 1.97 -0.11 0.00 0.05 0.00 0.00 55.36 57.64 1aq4 s GLN 6 Cb 0.08 -2.65 0.00 0.00 1.10 0.00 0.00 33.01 31.54 1aq4 s GLN 6 CO 0.13 -0.46 0.35 -0.59 -0.55 0.00 0.00 175.29 174.16 1aq4 s PHE 7 N -1.36 0.26 -0.38 1.67 -0.71 -0.69 -4.99 117.98 111.78 1aq4 s PHE 7 Ca 0.59 -0.62 -0.22 0.00 -1.04 0.00 0.00 56.93 55.63 1aq4 s PHE 7 Cb -0.34 0.06 0.01 0.00 -1.21 0.00 0.00 43.02 41.55 1aq4 s PHE 7 CO 0.42 -0.77 0.74 0.08 -1.34 0.00 0.00 175.22 174.36 1aq4 s VAL 8 N -3.94 4.76 -0.16 -2.49 1.01 -1.26 -0.91 120.40 117.41 1aq4 s VAL 8 Ca 0.15 0.69 -0.27 0.00 0.00 0.00 0.00 61.98 62.55 1aq4 s VAL 8 Cb 0.02 -4.20 -0.24 0.00 0.00 0.00 0.00 36.38 31.96 1aq4 s VAL 8 CO -0.01 -0.46 0.64 0.25 0.00 0.00 0.00 175.10 175.52 1aq4 h LEU 9 N 9.72 0.00 -8.29 3.92 5.85 -1.00 -3.44 115.31 122.07 1aq4 h LEU 9 Ca -0.25 -0.88 -0.67 0.00 0.84 0.00 0.00 57.88 56.92 1aq4 h LEU 9 Cb 1.10 -0.00 -0.29 0.00 0.37 0.00 0.00 40.66 41.83 1aq4 h LEU 9 CO 0.90 1.12 -0.72 -0.69 -0.34 0.00 0.00 178.44 178.71 1aq4 s VAL 10 N -2.26 3.24 -0.47 1.05 1.01 -1.07 -4.98 120.40 116.93 1aq4 s VAL 10 Ca -0.21 -0.73 -0.18 0.00 0.00 0.00 0.00 61.98 60.85 1aq4 s VAL 10 Cb -0.01 -2.56 0.04 0.00 0.00 0.00 0.00 36.38 33.85 1aq4 s VAL 10 CO 0.67 0.29 0.53 -0.62 0.00 0.00 0.00 175.10 175.97 1aq4 s ASP 11 N 1.42 6.21 -0.47 3.32 -1.08 -1.26 -1.01 116.67 123.80 1aq4 s ASP 11 Ca 0.03 -0.84 0.03 0.00 -0.52 0.00 0.00 52.55 51.26 1aq4 s ASP 11 Cb -0.15 -2.26 0.52 0.00 -1.46 0.00 0.00 42.92 39.57 1aq4 s ASP 11 CO -0.03 -0.75 1.74 0.59 0.52 0.00 0.00 175.17 177.24 1aq4 n ASN 12 N 5.86 5.06 -2.78 -0.34 3.02 -1.26 -4.92 115.26 119.90 1aq4 n ASN 12 Ca -0.07 -3.74 -0.04 0.00 -0.03 0.00 0.00 54.58 50.70 1aq4 n ASN 12 Cb 0.46 -0.76 0.02 0.00 -0.61 0.00 0.00 39.78 38.89 1aq4 n ASN 12 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aq4 n GLY 13 N -0.99 -0.94 4.93 7.41 0.00 -1.26 -3.87 105.19 110.46 1aq4 n GLY 13 Ca 0.52 0.35 0.00 0.00 0.00 0.00 0.00 46.02 46.90 1aq4 n GLY 13 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aq4 n GLY 14 N -1.51 0.11 3.43 -0.02 0.00 -1.26 -4.82 105.19 101.12 1aq4 n GLY 14 Ca -0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.60 1aq4 n GLY 14 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1aq4 s THR 15 N 0.00 4.72 -0.04 2.61 -1.32 -1.25 -4.35 115.64 116.00 1aq4 s THR 15 Ca 0.00 -0.59 -0.00 0.00 -1.21 0.00 0.00 61.69 59.89 1aq4 s THR 15 Cb 0.00 -3.51 0.00 0.00 -1.51 0.00 0.00 72.50 67.48 1aq4 s THR 15 CO 0.00 -0.09 0.03 0.61 -2.21 0.00 0.00 174.62 172.96 1aq4 n GLY 16 N 5.02 0.84 3.88 6.08 0.00 -1.26 -4.70 105.19 115.04 1aq4 n GLY 16 Ca -0.13 -0.68 -0.30 0.00 0.00 0.00 0.00 46.02 44.92 1aq4 n GLY 16 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1aq4 s ASP 17 N -3.00 6.26 -0.27 1.61 1.01 -1.26 -4.46 116.67 116.56 1aq4 s ASP 17 Ca 0.02 1.26 -0.06 0.00 0.71 0.00 0.00 52.55 54.48 1aq4 s ASP 17 Cb -0.01 -2.39 0.01 0.00 1.01 0.00 0.00 42.92 41.53 1aq4 s ASP 17 CO 0.02 -0.75 0.04 -0.69 0.21 0.00 0.00 175.17 174.00 1aq4 s VAL 18 N -3.00 3.75 -0.01 -1.27 1.01 -0.18 -4.96 120.40 115.74 1aq4 s VAL 18 Ca 0.53 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.83 1aq4 s VAL 18 Cb -0.11 -2.88 -0.04 0.00 0.00 0.00 0.00 36.38 33.35 1aq4 s VAL 18 CO 0.50 0.17 0.14 -0.89 0.00 0.00 0.00 175.10 175.01 1aq4 s THR 19 N 1.48 5.11 -0.06 3.92 2.01 -1.26 -0.31 115.64 126.53 1aq4 s THR 19 Ca 0.03 -0.27 0.02 0.00 0.31 0.00 0.00 61.69 61.78 1aq4 s THR 19 Cb -0.16 -3.36 0.01 0.00 0.01 0.00 0.00 72.50 68.99 1aq4 s THR 19 CO 0.01 0.34 -0.12 0.54 -0.69 0.00 0.00 174.62 174.69 1aq4 s VAL 20 N -1.26 1.10 0.16 3.82 0.11 -0.09 -4.48 120.40 119.77 1aq4 s VAL 20 Ca 0.25 -0.48 0.11 0.00 -2.93 0.00 0.00 61.98 58.94 1aq4 s VAL 20 Cb -0.12 -1.00 -0.04 0.00 -1.53 0.00 0.00 36.38 33.68 1aq4 s VAL 20 CO 0.16 0.34 -0.25 0.00 -3.33 0.00 0.00 175.10 172.03 1aq4 s ALA 21 N 0.57 2.43 0.17 1.54 0.00 -0.98 -1.70 121.76 123.79 1aq4 s ALA 21 Ca -0.12 -1.54 -0.33 0.00 0.00 0.00 0.00 51.96 49.96 1aq4 s ALA 21 Cb -0.15 -0.35 -0.16 0.00 0.00 0.00 0.00 23.12 22.46 1aq4 s ALA 21 CO 0.03 0.48 1.13 -2.30 0.00 0.00 0.00 175.76 175.10 1aq4 n PRO 22 N 0.61 1.07 0.00 0.00 -0.02 -1.26 -1.78 135.00 133.61 1aq4 n PRO 22 Ca -0.15 0.38 0.00 0.00 -2.02 0.00 0.00 63.50 61.71 1aq4 n PRO 22 Cb 0.54 -1.86 0.00 0.00 -0.02 0.00 0.00 33.50 32.16 1aq4 n PRO 22 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 1aq4 n SER 23 N 1.98 0.65 -3.51 2.55 3.41 -0.15 -4.79 113.62 113.76 1aq4 n SER 23 Ca 0.15 -0.02 -0.15 0.00 -0.26 0.00 0.00 58.87 58.59 1aq4 n SER 23 Cb 0.24 0.17 -0.05 0.00 -0.26 0.00 0.00 64.21 64.31 1aq4 n SER 23 CO 0.00 0.00 0.00 0.21 -0.16 0.00 0.00 175.04 175.09 1aq4 s ASN 24 N -0.30 -0.57 0.00 4.04 3.84 -1.22 -4.97 114.94 115.75 1aq4 s ASN 24 Ca 0.00 0.50 0.00 0.00 0.21 0.00 0.00 52.86 53.57 1aq4 s ASN 24 Cb 0.00 0.50 0.00 0.00 -0.55 0.00 0.00 41.25 41.20 1aq4 s ASN 24 CO 0.00 -0.62 0.59 0.33 -2.79 0.00 0.00 177.10 174.61 1aq4 n PHE 25 N 0.60 0.00 -1.69 0.43 7.35 -1.26 -1.35 117.46 121.55 1aq4 n PHE 25 Ca -0.16 0.00 -0.44 0.00 -0.76 0.00 0.00 57.45 56.09 1aq4 n PHE 25 Cb 0.59 0.01 -0.03 0.00 0.35 0.00 0.00 39.48 40.39 1aq4 n PHE 25 CO 0.00 0.00 0.00 0.00 -0.76 0.00 0.00 176.76 176.00 1aq4 n ALA 26 N 0.00 2.08 -2.20 3.13 0.00 -1.26 -2.34 120.51 119.92 1aq4 n ALA 26 Ca 0.00 0.36 -0.11 0.00 0.00 0.00 0.00 53.44 53.69 1aq4 n ALA 26 Cb 0.56 -2.51 -0.01 0.00 0.00 0.00 0.00 19.45 17.49 1aq4 n ALA 26 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aq4 n ASN 27 N 4.78 -3.65 0.00 0.00 3.02 -1.26 -3.14 115.26 115.01 1aq4 n ASN 27 Ca 0.18 -0.01 0.00 0.00 -0.03 0.00 0.00 54.58 54.72 1aq4 n ASN 27 Cb 0.34 -2.88 0.00 0.00 -0.61 0.00 0.00 39.78 36.63 1aq4 n ASN 27 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1aq4 n GLY 28 N -1.02 0.23 3.41 7.41 0.00 -0.99 -4.97 105.19 109.26 1aq4 n GLY 28 Ca -0.13 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.46 1aq4 n GLY 28 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aq4 s VAL 29 N -1.46 5.04 0.14 1.61 1.01 -1.19 -4.72 120.40 120.83 1aq4 s VAL 29 Ca 0.00 -0.88 -0.30 0.00 0.00 0.00 0.00 61.98 60.80 1aq4 s VAL 29 Cb 0.00 -3.89 -0.07 0.00 0.00 0.00 0.00 36.38 32.42 1aq4 s VAL 29 CO 0.00 -0.39 1.14 0.00 0.00 0.00 0.00 175.10 175.85 1aq4 s ALA 30 N 1.62 3.38 0.09 5.51 0.00 -0.88 -3.98 121.76 127.51 1aq4 s ALA 30 Ca 0.04 0.84 0.07 0.00 0.00 0.00 0.00 51.96 52.91 1aq4 s ALA 30 Cb -0.21 -3.39 -0.03 0.00 0.00 0.00 0.00 23.12 19.49 1aq4 s ALA 30 CO 0.08 -0.31 -0.19 -2.00 0.00 0.00 0.00 175.76 173.34 1aq4 s GLU 31 N 0.14 1.04 -0.02 0.00 2.12 -0.45 -1.37 118.70 120.16 1aq4 s GLU 31 Ca 0.53 -1.11 0.00 0.00 0.36 0.00 0.00 54.97 54.75 1aq4 s GLU 31 Cb -0.30 -1.24 0.02 0.00 0.26 0.00 0.00 34.13 32.87 1aq4 s GLU 31 CO 0.33 0.29 0.01 -1.58 -0.54 0.00 0.00 175.26 173.77 1aq4 s TRP 32 N -1.20 0.14 0.10 5.30 0.51 -0.08 -0.97 118.94 122.74 1aq4 s TRP 32 Ca 0.04 0.04 0.03 0.00 -2.12 0.00 0.00 56.10 54.09 1aq4 s TRP 32 Cb -0.10 -0.24 -0.04 0.00 -0.81 0.00 0.00 33.47 32.28 1aq4 s TRP 32 CO 0.04 -0.07 -0.08 0.96 -0.51 0.00 0.00 176.95 177.28 1aq4 s ILE 33 N 0.72 0.84 0.88 2.03 -4.36 -0.74 -1.30 121.20 119.27 1aq4 s ILE 33 Ca -0.06 -1.83 -0.13 0.00 -0.26 0.00 0.00 60.65 58.36 1aq4 s ILE 33 Cb -0.09 -1.57 0.15 0.00 1.25 0.00 0.00 42.46 42.19 1aq4 s ILE 33 CO -0.02 -0.74 1.24 -0.94 0.24 0.00 0.00 174.94 174.72 1aq4 s SER 34 N -2.83 3.76 -1.33 4.36 1.04 -0.44 -2.31 113.70 115.96 1aq4 s SER 34 Ca 0.10 0.41 -0.15 0.00 0.48 0.00 0.00 55.95 56.80 1aq4 s SER 34 Cb 0.02 -0.67 0.10 0.00 0.10 0.00 0.00 66.02 65.57 1aq4 s SER 34 CO -0.02 -2.33 1.84 -0.24 0.98 0.00 0.00 173.24 173.47 1aq4 n SER 35 N -3.51 4.71 -2.25 7.02 2.88 -1.26 -4.78 113.62 116.43 1aq4 n SER 35 Ca 0.12 -2.94 -0.09 0.00 -1.33 0.00 0.00 58.87 54.64 1aq4 n SER 35 Cb 0.60 -1.65 -0.01 0.00 -0.75 0.00 0.00 64.21 62.40 1aq4 n SER 35 CO 0.00 0.00 0.00 0.59 -1.23 0.00 0.00 175.04 174.40 1aq4 n ASN 36 N 6.55 -0.96 -4.78 -3.46 3.02 -1.26 -5.06 115.26 109.30 1aq4 n ASN 36 Ca 0.46 -2.18 -0.30 0.00 -0.03 0.00 0.00 54.58 52.53 1aq4 n ASN 36 Cb 0.42 1.74 0.10 0.00 -0.61 0.00 0.00 39.78 41.43 1aq4 n ASN 36 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1aq4 s SER 37 N -2.37 4.39 0.25 6.41 1.04 -1.26 -4.76 113.70 117.39 1aq4 s SER 37 Ca 0.17 1.47 0.25 0.00 0.48 0.00 0.00 55.95 58.32 1aq4 s SER 37 Cb -0.01 -2.21 0.92 0.00 0.10 0.00 0.00 66.02 64.82 1aq4 s SER 37 CO 0.12 -2.06 1.74 0.54 0.98 0.00 0.00 173.24 174.57 1aq4 n ARG 38 N -3.51 0.23 0.16 4.02 1.74 -1.26 -1.36 116.66 116.68 1aq4 n ARG 38 Ca 0.07 0.35 0.08 0.00 -0.77 0.00 0.00 57.85 57.58 1aq4 n ARG 38 Cb 0.55 -1.86 0.07 0.00 -1.02 0.00 0.00 32.46 30.20 1aq4 n ARG 38 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1aq4 h SER 39 N 0.00 0.00 -0.02 0.55 4.64 -1.98 -3.31 113.55 113.43 1aq4 h SER 39 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1aq4 h SER 39 Cb 0.52 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.61 1aq4 h SER 39 CO 0.00 0.22 0.00 0.00 -0.87 0.00 0.00 176.83 176.18 1aq4 n GLN 40 N -3.05 0.23 -1.88 4.77 6.02 -1.03 -4.98 117.38 117.46 1aq4 n GLN 40 Ca 0.01 -1.01 -0.32 0.00 -0.01 0.00 0.00 57.00 55.67 1aq4 n GLN 40 Cb 0.63 -1.15 0.03 0.00 1.02 0.00 0.00 30.24 30.77 1aq4 n GLN 40 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1aq4 s ALA 41 N -0.65 2.68 -0.16 -1.58 0.00 -0.46 -4.65 121.76 116.94 1aq4 s ALA 41 Ca 0.09 0.33 -0.15 0.00 0.00 0.00 0.00 51.96 52.23 1aq4 s ALA 41 Cb 0.06 -3.23 -0.04 0.00 0.00 0.00 0.00 23.12 19.91 1aq4 s ALA 41 CO 0.10 -0.98 0.36 0.71 0.00 0.00 0.00 175.76 175.94 1aq4 s TYR 42 N -2.59 3.46 -0.00 0.00 1.51 -1.26 -4.42 117.35 114.04 1aq4 s TYR 42 Ca 0.62 0.67 0.04 0.00 -1.01 0.00 0.00 57.07 57.40 1aq4 s TYR 42 Cb -0.16 -2.42 -0.01 0.00 -0.11 0.00 0.00 41.96 39.25 1aq4 s TYR 42 CO 0.42 0.18 -0.13 0.21 -1.11 0.00 0.00 175.55 175.12 1aq4 s LYS 43 N 0.65 1.02 -0.03 -0.62 2.20 -0.87 -1.33 119.74 120.77 1aq4 s LYS 43 Ca 0.19 -0.51 0.02 0.00 -0.36 0.00 0.00 55.97 55.31 1aq4 s LYS 43 Cb -0.14 -0.99 0.01 0.00 -1.51 0.00 0.00 37.83 35.20 1aq4 s LYS 43 CO 0.06 0.27 -0.05 0.08 -0.36 0.00 0.00 175.35 175.35 1aq4 s VAL 44 N -0.39 0.52 0.02 4.02 1.01 -0.42 -1.20 120.40 123.96 1aq4 s VAL 44 Ca 0.04 -0.19 0.02 0.00 0.00 0.00 0.00 61.98 61.86 1aq4 s VAL 44 Cb -0.05 -0.50 -0.02 0.00 0.00 0.00 0.00 36.38 35.81 1aq4 s VAL 44 CO -0.00 0.19 -0.08 0.00 0.00 0.00 0.00 175.10 175.21 1aq4 s ALA 45 N 0.45 0.62 -0.06 5.51 0.00 -0.09 -0.90 121.76 127.29 1aq4 s ALA 45 Ca -0.06 -0.55 -0.11 0.00 0.00 0.00 0.00 51.96 51.25 1aq4 s ALA 45 Cb -0.09 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.98 1aq4 s ALA 45 CO 0.00 0.08 0.27 0.00 0.00 0.00 0.00 175.76 176.10 1aq4 s SER 47 N -0.60 -0.61 0.15 0.00 1.04 -0.85 -2.08 113.70 110.75 1aq4 s SER 47 Ca -0.07 0.56 0.11 0.00 0.48 0.00 0.00 55.95 57.03 1aq4 s SER 47 Cb -0.04 0.53 -0.04 0.00 0.10 0.00 0.00 66.02 66.57 1aq4 s SER 47 CO 0.02 -0.65 -0.25 -0.69 0.98 0.00 0.00 173.24 172.65 1aq4 s VAL 48 N -1.59 2.22 -0.04 5.02 1.01 -1.26 -1.32 120.40 124.44 1aq4 s VAL 48 Ca -0.09 -1.86 -0.30 0.00 0.00 0.00 0.00 61.98 59.73 1aq4 s VAL 48 Cb -0.00 -2.00 0.08 0.00 0.00 0.00 0.00 36.38 34.46 1aq4 s VAL 48 CO 0.06 -0.03 0.73 0.00 0.00 0.00 0.00 175.10 175.86 1aq4 s ARG 49 N -2.34 1.00 -0.72 2.72 1.70 -0.81 -4.97 118.95 115.53 1aq4 s ARG 49 Ca 0.16 0.13 -0.27 0.00 -0.47 0.00 0.00 55.73 55.28 1aq4 s ARG 49 Cb -0.09 0.47 0.03 0.00 -0.57 0.00 0.00 34.95 34.79 1aq4 s ARG 49 CO 0.07 -0.33 1.24 -1.14 -1.08 0.00 0.00 175.30 174.06 1aq4 s GLN 50 N -1.57 3.21 0.27 3.89 2.00 -1.26 0.26 119.66 126.46 1aq4 s GLN 50 Ca -0.07 -0.25 -0.03 0.00 -2.00 0.00 0.00 55.36 53.01 1aq4 s GLN 50 Cb -0.00 -4.17 0.35 0.00 0.80 0.00 0.00 33.01 29.99 1aq4 s GLN 50 CO 0.05 -2.07 1.83 0.66 -0.50 0.00 0.00 175.29 175.26 1aq4 h SER 51 N 9.94 0.87 -2.88 6.67 4.64 -1.67 -3.47 113.55 127.65 1aq4 h SER 51 Ca -0.28 -0.14 -0.13 0.00 -0.47 0.00 0.00 61.79 60.78 1aq4 h SER 51 Cb 1.05 -0.23 -0.03 0.00 -0.31 0.00 0.00 62.40 62.89 1aq4 h SER 51 CO 1.26 0.80 -0.01 -1.54 -0.87 0.00 0.00 176.83 176.48 1aq4 n SER 52 N -4.29 -1.10 0.26 4.97 3.41 -1.13 -5.00 113.62 110.74 1aq4 n SER 52 Ca 0.05 -2.18 0.09 0.00 -0.26 0.00 0.00 58.87 56.57 1aq4 n SER 52 Cb 0.20 1.95 0.67 0.00 -0.26 0.00 0.00 64.21 66.77 1aq4 n SER 52 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1aq4 h ALA 53 N 1.89 1.73 0.00 7.33 0.00 -2.04 -2.87 119.26 125.30 1aq4 h ALA 53 Ca -0.19 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.66 1aq4 h ALA 53 Cb 0.79 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.57 1aq4 h ALA 53 CO 0.26 0.08 -0.87 0.94 0.00 0.00 0.00 179.25 179.66 1aq4 n GLN 54 N -4.23 1.38 -4.20 0.00 -0.06 -1.26 -4.90 117.38 104.11 1aq4 n GLN 54 Ca -0.03 -0.01 -0.16 0.00 -2.00 0.00 0.00 57.00 54.80 1aq4 n GLN 54 Cb 0.15 -1.30 -0.11 0.00 -4.06 0.00 0.00 30.24 24.92 1aq4 n GLN 54 CO 0.00 0.00 0.00 -0.80 -0.20 0.00 0.00 177.06 176.06 1aq4 s ASN 55 N -2.69 1.69 0.13 1.69 0.01 -1.09 0.03 114.94 114.71 1aq4 s ASN 55 Ca 0.05 -0.78 0.09 0.00 -0.71 0.00 0.00 52.86 51.51 1aq4 s ASN 55 Cb 0.13 -0.03 -0.04 0.00 0.41 0.00 0.00 41.25 41.71 1aq4 s ASN 55 CO 0.69 -0.19 -0.15 -0.13 -1.51 0.00 0.00 177.10 175.81 1aq4 s ARG 56 N -2.55 1.89 -0.02 -0.60 0.52 -0.25 -1.89 118.95 116.04 1aq4 s ARG 56 Ca 0.05 -1.18 -0.00 0.00 -0.52 0.00 0.00 55.73 54.08 1aq4 s ARG 56 Cb -0.05 -2.15 0.03 0.00 0.52 0.00 0.00 34.95 33.30 1aq4 s ARG 56 CO 0.02 0.47 0.03 0.21 0.02 0.00 0.00 175.30 176.05 1aq4 s LYS 57 N -2.31 -0.04 -0.16 3.54 2.20 0.14 -1.00 119.74 122.11 1aq4 s LYS 57 Ca 0.20 0.20 -0.08 0.00 -0.36 0.00 0.00 55.97 55.93 1aq4 s LYS 57 Cb -0.10 -0.27 -0.04 0.00 -1.51 0.00 0.00 37.83 35.91 1aq4 s LYS 57 CO 0.12 -0.18 0.11 0.71 -0.36 0.00 0.00 175.35 175.75 1aq4 s TYR 58 N 1.13 3.41 -0.23 4.03 1.51 0.19 -1.92 117.35 125.47 1aq4 s TYR 58 Ca -0.08 0.32 -0.01 0.00 -1.01 0.00 0.00 57.07 56.29 1aq4 s TYR 58 Cb -0.13 -2.05 0.02 0.00 -0.11 0.00 0.00 41.96 39.69 1aq4 s TYR 58 CO -0.03 0.40 -0.10 0.99 -1.11 0.00 0.00 175.55 175.70 1aq4 s THR 59 N -0.12 2.67 -0.14 -0.71 2.01 -0.43 -1.56 115.64 117.36 1aq4 s THR 59 Ca 0.09 -0.99 0.02 0.00 0.31 0.00 0.00 61.69 61.13 1aq4 s THR 59 Cb -0.12 -2.30 0.01 0.00 0.01 0.00 0.00 72.50 70.10 1aq4 s THR 59 CO 0.00 0.29 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.38 1aq4 s ILE 60 N 1.32 2.15 -0.06 1.82 1.01 -0.55 -2.01 121.20 124.88 1aq4 s ILE 60 Ca 0.01 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.75 1aq4 s ILE 60 Cb -0.16 -1.86 -0.00 0.00 0.01 0.00 0.00 42.46 40.45 1aq4 s ILE 60 CO -0.06 0.55 -0.18 -0.54 0.00 0.00 0.00 174.94 174.70 1aq4 s LYS 61 N 0.73 2.04 0.03 2.79 1.02 -0.50 -0.79 119.74 125.07 1aq4 s LYS 61 Ca -0.09 -0.65 0.05 0.00 0.02 0.00 0.00 55.97 55.31 1aq4 s LYS 61 Cb -0.16 -1.71 -0.02 0.00 -0.52 0.00 0.00 37.83 35.42 1aq4 s LYS 61 CO 0.00 0.22 -0.16 0.08 -0.92 0.00 0.00 175.35 174.57 1aq4 s VAL 62 N 0.16 1.25 -0.07 3.17 1.01 -0.21 -0.91 120.40 124.80 1aq4 s VAL 62 Ca -0.08 -0.98 0.03 0.00 0.00 0.00 0.00 61.98 60.95 1aq4 s VAL 62 Cb -0.13 -1.10 0.01 0.00 0.00 0.00 0.00 36.38 35.15 1aq4 s VAL 62 CO 0.04 0.11 -0.14 -1.61 0.00 0.00 0.00 175.10 173.49 1aq4 s GLU 63 N -1.00 1.86 -0.08 2.72 2.02 -0.35 -1.17 118.70 122.70 1aq4 s GLU 63 Ca 0.04 -0.49 0.03 0.00 0.02 0.00 0.00 54.97 54.56 1aq4 s GLU 63 Cb -0.08 -1.52 0.01 0.00 0.10 0.00 0.00 34.13 32.64 1aq4 s GLU 63 CO 0.01 0.08 -0.16 0.08 0.02 0.00 0.00 175.26 175.28 1aq4 s VAL 64 N 0.53 1.46 0.45 2.63 1.01 -0.57 -2.04 120.40 123.87 1aq4 s VAL 64 Ca -0.14 -0.67 -0.22 0.00 0.00 0.00 0.00 61.98 60.96 1aq4 s VAL 64 Cb -0.15 -1.30 -0.09 0.00 0.00 0.00 0.00 36.38 34.83 1aq4 s VAL 64 CO 0.04 0.43 1.02 -2.16 0.00 0.00 0.00 175.10 174.43 1aq4 s PRO 65 N 0.55 3.99 -0.31 2.72 0.04 -1.26 -1.02 135.00 139.71 1aq4 s PRO 65 Ca -0.16 1.36 -0.27 0.00 0.04 0.00 0.00 61.00 61.97 1aq4 s PRO 65 Cb -0.17 -2.25 0.01 0.00 0.04 0.00 0.00 34.50 32.14 1aq4 s PRO 65 CO 0.06 -0.26 1.00 0.21 0.04 0.00 0.00 177.00 178.04 1aq4 s LYS 66 N -2.99 4.04 -0.12 4.56 2.20 0.12 -4.88 119.74 122.67 1aq4 s LYS 66 Ca 0.63 0.94 0.12 0.00 -0.36 0.00 0.00 55.97 57.30 1aq4 s LYS 66 Cb -0.17 -3.73 -0.24 0.00 -1.51 0.00 0.00 37.83 32.18 1aq4 s LYS 66 CO 0.21 -0.84 0.37 0.28 -0.36 0.00 0.00 175.35 175.01 1aq4 n VAL 67 N 5.77 1.54 -1.90 4.02 0.31 -1.26 -4.63 118.33 122.18 1aq4 n VAL 67 Ca 0.10 -0.79 -0.42 0.00 -0.01 0.00 0.00 64.34 63.22 1aq4 n VAL 67 Cb 0.47 -0.93 -0.03 0.00 -0.91 0.00 0.00 33.84 32.44 1aq4 n VAL 67 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1aq4 s ALA 68 N -2.55 3.69 -0.21 3.52 0.00 -1.26 -1.70 121.76 123.26 1aq4 s ALA 68 Ca -0.10 1.23 0.00 0.00 0.00 0.00 0.00 51.96 53.09 1aq4 s ALA 68 Cb 0.07 -3.70 0.00 0.00 0.00 0.00 0.00 23.12 19.49 1aq4 s ALA 68 CO 0.81 -1.12 0.00 0.25 0.00 0.00 0.00 175.76 175.69 1aq4 n THR 69 N 4.74 0.00 -2.03 0.00 -2.24 -1.26 -5.02 114.28 108.48 1aq4 n THR 69 Ca 0.16 0.00 -0.36 0.00 -2.27 0.00 0.00 64.05 61.58 1aq4 n THR 69 Cb 0.40 -0.59 0.03 0.00 -2.10 0.00 0.00 70.33 68.07 1aq4 n THR 69 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1aq4 s GLN 70 N -1.28 3.10 -0.28 -0.78 0.74 -0.69 -5.01 119.66 115.47 1aq4 s GLN 70 Ca 0.00 1.86 -0.02 0.00 0.05 0.00 0.00 55.36 57.25 1aq4 s GLN 70 Cb 0.00 -2.03 0.04 0.00 1.10 0.00 0.00 33.01 32.12 1aq4 s GLN 70 CO 0.00 -1.11 -0.02 0.99 -0.55 0.00 0.00 175.29 174.60 1aq4 s THR 71 N -1.56 3.02 -0.03 -0.34 2.01 -1.26 -5.07 115.64 112.42 1aq4 s THR 71 Ca 0.75 -1.17 -0.30 0.00 0.31 0.00 0.00 61.69 61.28 1aq4 s THR 71 Cb -0.31 -2.63 -0.07 0.00 0.01 0.00 0.00 72.50 69.49 1aq4 s THR 71 CO 0.35 0.04 1.83 -0.69 -0.69 0.00 0.00 174.62 175.45 1aq4 s VAL 72 N 1.30 3.29 0.00 3.82 1.01 -1.26 -1.20 120.40 127.37 1aq4 s VAL 72 Ca -0.02 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.31 1aq4 s VAL 72 Cb -0.18 -3.24 0.00 0.00 0.00 0.00 0.00 36.38 32.96 1aq4 s VAL 72 CO -0.02 -0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.65 1aq4 n GLY 73 N 4.42 0.83 3.91 4.51 0.00 -1.26 -5.04 105.19 112.57 1aq4 n GLY 73 Ca 0.19 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.94 1aq4 n GLY 73 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aq4 s GLY 74 N -1.76 1.61 -0.47 -0.02 0.00 -0.34 -5.02 107.32 101.33 1aq4 s GLY 74 Ca 0.00 -0.59 -0.22 0.00 0.00 0.00 0.00 44.72 43.91 1aq4 s GLY 74 CO 0.00 -0.29 0.75 0.14 0.00 0.00 0.00 173.10 173.69 1aq4 s VAL 75 N -3.06 4.69 -0.30 1.40 1.01 -1.26 -4.97 120.40 117.90 1aq4 s VAL 75 Ca 0.54 0.22 -0.03 0.00 0.00 0.00 0.00 61.98 62.71 1aq4 s VAL 75 Cb -0.11 -4.31 0.04 0.00 0.00 0.00 0.00 36.38 32.00 1aq4 s VAL 75 CO 0.47 -0.74 0.01 -1.61 0.00 0.00 0.00 175.10 173.23 1aq4 s GLU 76 N 3.16 2.54 0.14 2.72 2.02 -1.26 -5.10 118.70 122.93 1aq4 s GLU 76 Ca 0.26 -1.20 0.11 0.00 0.02 0.00 0.00 54.97 54.17 1aq4 s GLU 76 Cb -0.13 -3.21 -0.04 0.00 0.10 0.00 0.00 34.13 30.84 1aq4 s GLU 76 CO 0.20 -0.59 -0.26 -0.51 0.02 0.00 0.00 175.26 174.11 1aq4 s LEU 77 N 1.30 2.34 0.34 1.80 2.01 -1.26 -4.09 118.68 121.12 1aq4 s LEU 77 Ca -0.04 -0.77 -0.26 0.00 0.01 0.00 0.00 54.13 53.07 1aq4 s LEU 77 Cb -0.19 -1.21 -0.10 0.00 0.01 0.00 0.00 46.19 44.70 1aq4 s LEU 77 CO -0.01 0.17 0.99 -2.16 1.01 0.00 0.00 176.35 176.35 1aq4 s PRO 78 N -2.17 4.49 0.39 1.29 0.04 -1.26 -5.00 135.00 132.78 1aq4 s PRO 78 Ca 0.15 1.43 0.18 0.00 0.04 0.00 0.00 61.00 62.80 1aq4 s PRO 78 Cb -0.10 -2.79 1.11 0.00 0.04 0.00 0.00 34.50 32.76 1aq4 s PRO 78 CO 0.07 0.17 1.74 0.28 0.04 0.00 0.00 177.00 179.30 1aq4 h VAL 79 N 2.56 0.47 0.00 -0.36 2.07 -2.01 -0.97 116.25 118.02 1aq4 h VAL 79 Ca -0.47 -0.13 0.00 0.00 0.82 0.00 0.00 66.70 66.92 1aq4 h VAL 79 Cb 1.20 0.05 0.00 0.00 -1.52 0.00 0.00 31.29 31.02 1aq4 h VAL 79 CO 0.65 0.07 0.00 0.00 0.02 0.00 0.00 177.57 178.31 1aq4 h ALA 80 N 1.65 1.00 0.00 1.67 0.00 -1.92 -2.53 119.26 119.12 1aq4 h ALA 80 Ca 0.64 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.55 1aq4 h ALA 80 Cb 1.59 0.00 0.00 0.00 0.00 0.00 0.00 17.79 19.38 1aq4 h ALA 80 CO -0.35 0.00 -0.52 0.00 0.00 0.00 0.00 179.25 178.38 1aq4 n ALA 81 N -1.96 3.04 -0.10 0.00 0.00 -0.37 -4.22 120.51 116.89 1aq4 n ALA 81 Ca 0.01 -0.26 0.04 0.00 0.00 0.00 0.00 53.44 53.23 1aq4 n ALA 81 Cb 0.25 -1.19 0.10 0.00 0.00 0.00 0.00 19.45 18.60 1aq4 n ALA 81 CO 0.00 0.00 0.00 0.91 0.00 0.00 0.00 177.50 178.41 1aq4 n TRP 82 N -1.89 0.29 -3.82 0.00 7.02 -0.96 -4.91 117.44 113.17 1aq4 n TRP 82 Ca 0.04 -0.48 -0.12 0.00 -1.02 0.00 0.00 57.50 55.92 1aq4 n TRP 82 Cb 0.40 -0.03 -0.12 0.00 -2.42 0.00 0.00 31.31 29.13 1aq4 n TRP 82 CO 0.00 0.00 0.00 1.03 -2.02 0.00 0.00 177.69 176.70 1aq4 s ARG 83 N -0.98 0.21 0.02 -0.99 0.52 -1.21 -0.70 118.95 115.81 1aq4 s ARG 83 Ca 0.15 0.17 0.02 0.00 -0.52 0.00 0.00 55.73 55.54 1aq4 s ARG 83 Cb 0.08 0.10 -0.04 0.00 0.52 0.00 0.00 34.95 35.61 1aq4 s ARG 83 CO 0.10 -0.03 0.02 -1.12 0.02 0.00 0.00 175.30 174.29 1aq4 s SER 84 N -0.03 5.24 -0.11 0.23 0.01 -0.19 -4.91 113.70 113.94 1aq4 s SER 84 Ca -0.01 -0.00 0.02 0.00 1.31 0.00 0.00 55.95 57.27 1aq4 s SER 84 Cb -0.02 -1.39 0.01 0.00 0.21 0.00 0.00 66.02 64.84 1aq4 s SER 84 CO 0.00 0.26 -0.16 -0.31 0.41 0.00 0.00 173.24 173.44 1aq4 s TYR 85 N -1.16 2.00 -0.10 2.43 1.51 -1.26 -1.51 117.35 119.26 1aq4 s TYR 85 Ca 0.22 -0.92 -0.00 0.00 -1.01 0.00 0.00 57.07 55.36 1aq4 s TYR 85 Cb -0.12 -1.43 -0.03 0.00 -0.11 0.00 0.00 41.96 40.28 1aq4 s TYR 85 CO 0.13 -0.46 -0.08 -1.17 -1.11 0.00 0.00 175.55 172.85 1aq4 s LEU 86 N 0.91 3.05 -0.16 -1.29 2.96 -0.31 -4.99 118.68 118.84 1aq4 s LEU 86 Ca -0.08 -0.13 -0.03 0.00 -0.22 0.00 0.00 54.13 53.67 1aq4 s LEU 86 Cb -0.15 -1.68 0.05 0.00 0.50 0.00 0.00 46.19 44.91 1aq4 s LEU 86 CO -0.00 0.28 0.06 0.21 -1.32 0.00 0.00 176.35 175.57 1aq4 s ASN 87 N -0.31 2.41 -0.04 3.68 3.84 -1.26 -1.04 114.94 122.22 1aq4 s ASN 87 Ca 0.04 -0.59 0.03 0.00 0.21 0.00 0.00 52.86 52.55 1aq4 s ASN 87 Cb -0.13 -0.40 -0.03 0.00 -0.55 0.00 0.00 41.25 40.14 1aq4 s ASN 87 CO 0.02 -0.31 -0.12 -0.04 -2.79 0.00 0.00 177.10 173.86 1aq4 s MET 88 N 2.01 2.51 -0.08 0.43 -1.94 0.03 -5.00 119.30 117.26 1aq4 s MET 88 Ca 0.01 -0.70 0.00 0.00 -1.71 0.00 0.00 55.69 53.30 1aq4 s MET 88 Cb -0.16 -2.42 0.02 0.00 2.01 0.00 0.00 34.83 34.29 1aq4 s MET 88 CO -0.08 0.62 -0.06 -1.21 -0.01 0.00 0.00 175.02 174.28 1aq4 s GLU 89 N -0.90 1.23 -0.26 2.03 2.02 -1.26 -1.48 118.70 120.08 1aq4 s GLU 89 Ca 0.13 -0.18 -0.01 0.00 0.02 0.00 0.00 54.97 54.93 1aq4 s GLU 89 Cb -0.11 -1.28 0.04 0.00 0.10 0.00 0.00 34.13 32.88 1aq4 s GLU 89 CO 0.02 -0.18 -0.06 -1.17 0.02 0.00 0.00 175.26 173.89 1aq4 s LEU 90 N 1.41 3.33 -0.21 1.80 2.96 -0.60 -4.97 118.68 122.40 1aq4 s LEU 90 Ca -0.02 -1.02 -0.12 0.00 -0.22 0.00 0.00 54.13 52.76 1aq4 s LEU 90 Cb -0.13 -1.65 -0.05 0.00 0.50 0.00 0.00 46.19 44.86 1aq4 s LEU 90 CO -0.04 -0.16 0.22 -0.89 -1.32 0.00 0.00 176.35 174.16 1aq4 s THR 91 N 1.28 5.33 -0.10 3.68 2.01 -1.26 -0.64 115.64 125.94 1aq4 s THR 91 Ca -0.02 0.33 -0.01 0.00 0.31 0.00 0.00 61.69 62.30 1aq4 s THR 91 Cb -0.18 -3.55 0.03 0.00 0.01 0.00 0.00 72.50 68.81 1aq4 s THR 91 CO -0.04 0.35 -0.05 -0.63 -0.69 0.00 0.00 174.62 173.56 1aq4 s ILE 92 N 0.87 0.84 0.48 1.82 1.01 -0.17 -4.97 121.20 121.08 1aq4 s ILE 92 Ca 0.11 -0.17 -0.24 0.00 0.00 0.00 0.00 60.65 60.36 1aq4 s ILE 92 Cb -0.13 -0.89 -0.07 0.00 0.01 0.00 0.00 42.46 41.37 1aq4 s ILE 92 CO 0.04 0.34 1.31 -2.65 0.00 0.00 0.00 174.94 173.97 1aq4 n PRO 93 N 5.00 1.83 0.00 2.79 -0.02 -1.26 -1.09 135.00 142.25 1aq4 n PRO 93 Ca -0.11 0.66 0.00 0.00 -2.02 0.00 0.00 63.50 62.03 1aq4 n PRO 93 Cb 0.50 -2.48 0.01 0.00 -0.02 0.00 0.00 33.50 31.51 1aq4 n PRO 93 CO 0.00 0.00 0.00 0.44 1.98 0.00 0.00 175.50 177.92 1aq4 n ILE 94 N -0.61 1.78 1.03 4.25 -5.35 0.10 -1.60 119.36 118.97 1aq4 n ILE 94 Ca 0.08 0.44 0.13 0.00 -0.27 0.00 0.00 62.75 63.13 1aq4 n ILE 94 Cb 0.42 -1.44 0.36 0.00 -1.74 0.00 0.00 39.64 37.24 1aq4 n ILE 94 CO 0.00 0.00 0.00 0.49 -1.76 0.00 0.00 176.55 175.28 1aq4 n PHE 95 N -1.45 0.00 -1.89 4.28 3.72 -1.26 -4.88 117.46 115.97 1aq4 n PHE 95 Ca 0.00 0.00 -0.42 0.00 -0.05 0.00 0.00 57.45 56.98 1aq4 n PHE 95 Cb 0.00 -0.29 -0.03 0.00 -0.94 0.00 0.00 39.48 38.22 1aq4 n PHE 95 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 1aq4 s ALA 96 N -2.94 3.57 0.99 4.37 0.00 -0.63 -5.00 121.76 122.11 1aq4 s ALA 96 Ca 0.13 1.04 -0.16 0.00 0.00 0.00 0.00 51.96 52.97 1aq4 s ALA 96 Cb 0.18 -3.79 0.21 0.00 0.00 0.00 0.00 23.12 19.72 1aq4 s ALA 96 CO 0.64 -1.51 1.32 0.95 0.00 0.00 0.00 175.76 177.16 1aq4 s THR 97 N 4.33 1.98 0.23 0.00 -4.23 -1.26 -4.80 115.64 111.89 1aq4 s THR 97 Ca 0.79 0.00 -0.06 0.00 -1.18 0.00 0.00 61.69 61.24 1aq4 s THR 97 Cb -0.36 -2.97 0.17 0.00 1.34 0.00 0.00 72.50 70.68 1aq4 s THR 97 CO 0.34 0.00 1.81 0.78 -0.54 0.00 0.00 174.62 177.00 1aq4 h ASN 98 N -1.73 1.04 -0.74 3.99 4.21 -1.98 -1.18 115.58 119.19 1aq4 h ASN 98 Ca -0.44 -0.15 -0.02 0.00 1.21 0.00 0.00 56.30 56.89 1aq4 h ASN 98 Cb 1.23 -0.27 -0.03 0.00 -1.12 0.00 0.00 38.32 38.13 1aq4 h ASN 98 CO 0.36 0.92 0.37 0.28 -1.29 0.00 0.00 177.43 178.06 1aq4 h SER 99 N 1.11 0.96 -0.66 5.81 0.02 -1.99 -0.00 113.55 118.80 1aq4 h SER 99 Ca 0.26 -0.13 -0.01 0.00 -0.84 0.00 0.00 61.79 61.07 1aq4 h SER 99 Cb 0.19 -0.25 -0.03 0.00 0.14 0.00 0.00 62.40 62.45 1aq4 h SER 99 CO -0.02 0.81 0.37 0.44 -1.14 0.00 0.00 176.83 177.29 1aq4 h ASP 100 N 1.03 0.82 0.35 3.07 3.32 -1.75 -2.58 116.42 120.67 1aq4 h ASP 100 Ca 0.25 -0.08 -0.06 0.00 0.02 0.00 0.00 57.03 57.17 1aq4 h ASP 100 Cb 0.10 -0.21 -0.01 0.00 0.22 0.00 0.00 39.33 39.43 1aq4 h ASP 100 CO -0.03 0.66 -0.26 0.00 -1.72 0.00 0.00 179.24 177.89 1aq4 h GLU 102 N 0.00 0.14 -0.16 0.00 5.08 -0.66 -2.55 114.58 116.42 1aq4 h GLU 102 Ca -0.00 -0.09 -0.18 0.00 -1.00 0.00 0.00 59.36 58.09 1aq4 h GLU 102 Cb 0.51 0.01 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 1aq4 h GLU 102 CO 0.03 0.68 -0.64 1.25 -1.00 0.00 0.00 179.01 179.34 1aq4 h LEU 103 N 0.10 0.68 -0.85 1.33 5.85 -1.13 -2.37 115.31 118.92 1aq4 h LEU 103 Ca -0.00 -0.40 -0.06 0.00 0.84 0.00 0.00 57.88 58.26 1aq4 h LEU 103 Cb 1.06 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 41.86 1aq4 h LEU 103 CO 0.08 1.14 0.19 0.40 -0.34 0.00 0.00 178.44 179.91 1aq4 h ILE 104 N 0.44 1.25 -0.51 4.05 2.04 -1.33 -0.75 117.51 122.70 1aq4 h ILE 104 Ca -0.01 -0.89 -0.08 0.00 1.00 0.00 0.00 64.86 64.88 1aq4 h ILE 104 Cb 1.21 0.53 -0.02 0.00 -0.74 0.00 0.00 36.82 37.80 1aq4 h ILE 104 CO 0.12 0.34 0.00 0.58 0.00 0.00 0.00 178.15 179.20 1aq4 h VAL 105 N 1.00 1.25 -0.50 1.67 2.07 -1.34 -2.05 116.25 118.36 1aq4 h VAL 105 Ca 0.22 -1.03 -0.13 0.00 0.82 0.00 0.00 66.70 66.57 1aq4 h VAL 105 Cb 0.32 0.85 -0.01 0.00 -1.52 0.00 0.00 31.29 30.93 1aq4 h VAL 105 CO -0.00 0.37 -0.19 0.11 0.02 0.00 0.00 177.57 177.87 1aq4 h LYS 106 N 0.79 1.01 -0.86 1.57 1.57 -0.92 -1.59 116.57 118.15 1aq4 h LYS 106 Ca 0.15 -0.42 0.02 0.00 -1.87 0.00 0.00 60.65 58.53 1aq4 h LYS 106 Cb 0.47 -0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.70 1aq4 h LYS 106 CO 0.02 1.10 0.57 0.00 -0.57 0.00 0.00 179.45 180.57 1aq4 h ALA 107 N 0.88 1.41 -0.13 3.86 0.00 -0.84 0.21 119.26 124.64 1aq4 h ALA 107 Ca 0.12 -0.05 -0.14 0.00 0.00 0.00 0.00 54.91 54.83 1aq4 h ALA 107 Cb 0.77 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 18.22 1aq4 h ALA 107 CO 0.06 0.53 -0.53 0.52 0.00 0.00 0.00 179.25 179.83 1aq4 h MET 108 N 1.13 0.38 -0.21 0.00 2.86 -1.06 -2.24 114.93 115.79 1aq4 h MET 108 Ca 0.32 -0.23 -0.18 0.00 -2.06 0.00 0.00 59.70 57.55 1aq4 h MET 108 Cb -0.08 0.02 0.00 0.00 0.06 0.00 0.00 31.60 31.61 1aq4 h MET 108 CO -0.08 0.82 -0.57 1.96 1.06 0.00 0.00 176.91 180.10 1aq4 h GLN 109 N 0.30 0.76 -0.60 1.72 4.20 -0.77 -3.18 115.11 117.54 1aq4 h GLN 109 Ca 0.01 -0.53 -0.04 0.00 0.06 0.00 0.00 58.65 58.15 1aq4 h GLN 109 Cb 1.03 0.08 -0.03 0.00 0.30 0.00 0.00 27.48 28.87 1aq4 h GLN 109 CO 0.09 1.16 0.23 0.78 -0.67 0.00 0.00 178.83 180.41 1aq4 h GLY 110 N 0.48 0.97 0.36 3.46 0.00 -0.92 -1.68 103.07 105.74 1aq4 h GLY 110 Ca -0.01 -0.54 0.12 0.00 0.00 0.00 0.00 47.33 46.90 1aq4 h GLY 110 CO 0.12 0.51 0.45 -2.00 0.00 0.00 0.00 176.54 175.62 1aq4 h LEU 111 N 0.83 0.58 -1.94 3.11 5.85 -1.45 -2.71 115.31 119.59 1aq4 h LEU 111 Ca 0.20 0.07 0.00 0.00 0.84 0.00 0.00 57.88 58.99 1aq4 h LEU 111 Cb 0.22 -0.03 0.00 0.00 0.37 0.00 0.00 40.66 41.23 1aq4 h LEU 111 CO -0.01 0.29 0.00 0.18 -0.34 0.00 0.00 178.44 178.55 1aq4 n LEU 112 N -4.82 2.93 -4.73 2.25 4.77 -1.06 -4.36 117.00 111.97 1aq4 n LEU 112 Ca 0.15 -1.18 -0.37 0.00 -0.03 0.00 0.00 56.01 54.58 1aq4 n LEU 112 Cb 0.36 -0.15 0.06 0.00 -2.33 0.00 0.00 43.42 41.36 1aq4 n LEU 112 CO 0.24 0.59 0.92 -0.75 -1.33 0.00 0.00 177.39 177.05 1aq4 s LYS 113 N -1.70 2.65 0.34 3.23 2.20 -0.66 -4.78 119.74 121.02 1aq4 s LYS 113 Ca 0.35 2.09 -0.29 0.00 -0.36 0.00 0.00 55.97 57.76 1aq4 s LYS 113 Cb 0.21 -1.91 -0.12 0.00 -1.51 0.00 0.00 37.83 34.51 1aq4 s LYS 113 CO 0.30 -1.53 1.48 -0.25 -0.36 0.00 0.00 175.35 175.00 1aq4 n ASP 114 N -1.77 3.56 0.00 1.43 9.92 -1.26 -2.22 116.55 126.21 1aq4 n ASP 114 Ca 0.15 1.20 0.00 0.00 -0.53 0.00 0.00 54.79 55.61 1aq4 n ASP 114 Cb 0.48 -1.58 0.00 0.00 -0.64 0.00 0.00 41.12 39.38 1aq4 n ASP 114 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1aq4 n GLY 115 N 1.12 2.80 3.81 0.44 0.00 -1.26 -5.05 105.19 107.05 1aq4 n GLY 115 Ca 0.05 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.74 1aq4 n GLY 115 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1aq4 s ASN 116 N -1.59 5.95 0.12 1.61 0.01 -0.94 -4.89 114.94 115.19 1aq4 s ASN 116 Ca 0.00 1.77 -0.26 0.00 -0.71 0.00 0.00 52.86 53.66 1aq4 s ASN 116 Cb 0.00 -2.53 -0.07 0.00 0.41 0.00 0.00 41.25 39.06 1aq4 s ASN 116 CO 0.00 -1.05 1.44 -0.65 -1.51 0.00 0.00 177.10 175.33 1aq4 h PRO 117 N 0.53 -0.17 0.21 -0.60 0.11 -1.89 -2.80 132.00 127.39 1aq4 h PRO 117 Ca -0.47 0.01 0.01 0.00 0.11 0.00 0.00 66.00 65.66 1aq4 h PRO 117 Cb 1.21 0.04 -0.04 0.00 0.11 0.00 0.00 31.00 32.32 1aq4 h PRO 117 CO 0.58 -0.11 -0.43 0.82 -0.21 0.00 0.00 178.00 178.65 1aq4 h ILE 118 N -0.17 0.14 0.00 4.15 1.08 -1.94 -0.64 117.51 120.13 1aq4 h ILE 118 Ca 0.09 0.00 -0.01 0.00 -0.39 0.00 0.00 64.86 64.56 1aq4 h ILE 118 Cb 0.41 0.14 -0.00 0.00 -3.07 0.00 0.00 36.82 34.31 1aq4 h ILE 118 CO -0.61 0.00 -0.03 1.55 -0.69 0.00 0.00 178.15 178.37 1aq4 h PRO 119 N -0.72 0.00 0.09 2.37 0.13 -1.75 -2.07 132.00 130.05 1aq4 h PRO 119 Ca 0.00 0.00 -0.26 0.00 -0.87 0.00 0.00 66.00 64.87 1aq4 h PRO 119 Cb 0.71 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 31.83 1aq4 h PRO 119 CO -0.20 0.03 -1.20 0.77 -0.23 0.00 0.00 178.00 177.17 1aq4 h SER 120 N 0.00 0.30 0.21 1.44 0.02 -1.10 -2.55 113.55 111.87 1aq4 h SER 120 Ca -0.00 -0.33 -0.01 0.00 -0.84 0.00 0.00 61.79 60.61 1aq4 h SER 120 Cb 0.12 -0.10 0.00 0.00 0.14 0.00 0.00 62.40 62.57 1aq4 h SER 120 CO 0.00 1.26 -0.10 0.00 -1.14 0.00 0.00 176.83 176.85 1aq4 h ALA 121 N 0.70 -0.28 -0.37 3.77 0.00 -0.56 -2.77 119.26 119.76 1aq4 h ALA 121 Ca -0.11 -0.17 0.07 0.00 0.00 0.00 0.00 54.91 54.70 1aq4 h ALA 121 Cb 1.92 0.11 -0.06 0.00 0.00 0.00 0.00 17.79 19.76 1aq4 h ALA 121 CO 0.18 -0.50 -0.00 0.82 0.00 0.00 0.00 179.25 179.75 1aq4 h ILE 122 N -0.59 0.72 0.00 0.00 2.04 -1.48 0.41 117.51 118.61 1aq4 h ILE 122 Ca -0.03 -0.03 -0.02 0.00 1.00 0.00 0.00 64.86 65.78 1aq4 h ILE 122 Cb 0.43 0.61 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 1aq4 h ILE 122 CO 0.05 0.02 -0.09 0.00 0.00 0.00 0.00 178.15 178.13 1aq4 h ALA 123 N 1.32 1.15 -0.46 1.87 0.00 -1.50 -2.62 119.26 119.02 1aq4 h ALA 123 Ca 0.18 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.01 1aq4 h ALA 123 Cb 0.25 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1aq4 h ALA 123 CO -0.30 0.11 0.00 0.00 0.00 0.00 0.00 179.25 179.05 1aq4 n ALA 124 N -2.20 3.35 -3.91 0.00 0.00 -0.84 -4.94 120.51 111.97 1aq4 n ALA 124 Ca -0.01 -1.98 -0.30 0.00 0.00 0.00 0.00 53.44 51.14 1aq4 n ALA 124 Cb 0.24 -0.92 0.03 0.00 0.00 0.00 0.00 19.45 18.80 1aq4 n ALA 124 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1aq4 n ASN 125 N 0.27 -4.88 -4.34 0.00 3.02 -0.99 -4.95 115.26 103.39 1aq4 n ASN 125 Ca 0.24 -0.77 -0.26 0.00 -0.03 0.00 0.00 54.58 53.76 1aq4 n ASN 125 Cb 1.00 -3.91 -0.09 0.00 -0.61 0.00 0.00 39.78 36.18 1aq4 n ASN 125 CO 0.00 0.00 0.00 -0.44 -2.62 0.00 0.00 177.26 174.20 1aq4 s SER 126 N -3.30 2.98 0.00 6.41 0.01 0.07 -5.03 113.70 114.85 1aq4 s SER 126 Ca 0.67 -1.59 0.00 0.00 1.31 0.00 0.00 55.95 56.34 1aq4 s SER 126 Cb -0.33 0.33 0.00 0.00 0.21 0.00 0.00 66.02 66.22 1aq4 s SER 126 CO 0.83 -0.82 0.00 0.61 0.41 0.00 0.00 173.24 174.27 1aq4 n GLY 127 N -0.92 5.20 3.86 3.44 0.00 -1.26 -4.16 105.19 111.34 1aq4 n GLY 127 Ca -0.07 -1.94 -0.36 0.00 0.00 0.00 0.00 46.02 43.64 1aq4 n GLY 127 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1aq4 s ILE 128 N 1.76 5.34 0.00 -0.61 -1.09 -1.26 -4.78 121.20 120.56 1aq4 s ILE 128 Ca 0.00 0.10 0.00 0.00 -2.23 0.00 0.00 60.65 58.52 1aq4 s ILE 128 Cb 0.00 -3.34 0.00 0.00 -1.58 0.00 0.00 42.46 37.54 1aq4 s ILE 128 CO 0.00 0.58 0.00 0.00 -1.23 0.00 0.00 174.94 174.29