#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1s3n s LYS 2 N 0.00 4.11 -0.15 0.03 1.02 -1.26 -2.97 119.74 120.51 1s3n s LYS 2 Ca 0.00 -0.22 -0.05 0.00 0.02 0.00 0.00 55.97 55.72 1s3n s LYS 2 Cb 0.00 -3.51 -0.03 0.00 -0.52 0.00 0.00 37.83 33.76 1s3n s LYS 2 CO 0.00 0.11 0.02 0.42 -0.92 0.00 0.00 175.35 174.98 1s3n s ILE 3 N 0.91 4.42 0.12 2.17 1.01 -0.64 0.10 121.20 129.29 1s3n s ILE 3 Ca 0.09 -0.18 -0.17 0.00 0.00 0.00 0.00 60.65 60.39 1s3n s ILE 3 Cb -0.13 -2.95 -0.07 0.00 0.01 0.00 0.00 42.46 39.32 1s3n s ILE 3 CO 0.03 0.50 0.58 -0.83 0.00 0.00 0.00 174.94 175.22 1s3n s GLY 4 N 0.09 2.58 -0.00 6.18 0.00 -0.03 -0.63 107.32 115.51 1s3n s GLY 4 Ca 0.03 -0.02 0.04 0.00 0.00 0.00 0.00 44.72 44.77 1s3n s GLY 4 CO 0.02 0.34 -0.13 -0.42 0.00 0.00 0.00 173.10 172.90 1s3n s ILE 5 N -1.30 1.04 0.17 0.90 1.01 0.11 -0.45 121.20 122.67 1s3n s ILE 5 Ca 0.34 -0.62 -0.24 0.00 0.00 0.00 0.00 60.65 60.14 1s3n s ILE 5 Cb -0.17 -0.88 0.06 0.00 0.01 0.00 0.00 42.46 41.48 1s3n s ILE 5 CO 0.19 0.25 0.75 0.00 0.00 0.00 0.00 174.94 176.13 1s3n s MET 6 N -0.42 1.34 0.01 2.79 0.23 -0.33 -1.52 119.30 121.40 1s3n s MET 6 Ca 0.05 -0.64 -0.29 0.00 -1.03 0.00 0.00 55.69 53.78 1s3n s MET 6 Cb -0.05 0.53 0.10 0.00 -1.53 0.00 0.00 34.83 33.87 1s3n s MET 6 CO -0.00 -0.60 0.91 0.45 -2.03 0.00 0.00 175.02 173.75 1s3n s SER 7 N -2.79 -0.33 -1.05 -1.18 0.15 -1.26 -2.15 113.70 105.09 1s3n s SER 7 Ca 0.07 -0.05 -0.18 0.00 0.70 0.00 0.00 55.95 56.49 1s3n s SER 7 Cb -0.03 0.39 0.01 0.00 -1.71 0.00 0.00 66.02 64.68 1s3n s SER 7 CO -0.03 -0.64 0.72 0.47 1.20 0.00 0.00 173.24 174.96 1s3n n ASP 8 N -0.27 -5.23 0.09 5.45 8.00 -1.26 -1.37 116.55 121.95 1s3n n ASP 8 Ca -0.08 -0.98 0.13 0.00 0.71 0.00 0.00 54.79 54.57 1s3n n ASP 8 Cb 0.62 -2.84 0.45 0.00 -0.02 0.00 0.00 41.12 39.33 1s3n n ASP 8 CO 0.00 0.00 0.00 0.35 -0.39 0.00 0.00 177.20 177.16 1s3n n THR 9 N -3.82 0.50 -3.55 -3.53 -2.24 -0.94 -2.77 114.28 97.93 1s3n n THR 9 Ca -0.13 -0.21 -0.16 0.00 -2.27 0.00 0.00 64.05 61.27 1s3n n THR 9 Cb 0.60 -0.59 -0.02 0.00 -2.10 0.00 0.00 70.33 68.22 1s3n n THR 9 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 1s3n n HIS 10 N -2.12 -0.54 -0.78 4.78 8.25 -0.78 -0.77 115.22 123.26 1s3n n HIS 10 Ca 0.06 0.15 0.00 0.00 -0.26 0.00 0.00 57.72 57.66 1s3n n HIS 10 Cb 0.41 -1.16 0.00 0.00 1.12 0.00 0.00 29.99 30.36 1s3n n HIS 10 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1s3n n ASP 11 N -0.71 -4.09 -4.56 0.41 9.92 -0.59 -4.88 116.55 112.04 1s3n n ASP 11 Ca -0.10 0.00 -0.33 0.00 -0.53 0.00 0.00 54.79 53.84 1s3n n ASP 11 Cb 0.26 -2.92 -0.04 0.00 -0.64 0.00 0.00 41.12 37.78 1s3n n ASP 11 CO 0.00 0.00 0.00 -2.28 0.13 0.00 0.00 177.20 175.05 1s3n s HIS 12 N -0.88 1.96 0.19 1.24 2.46 0.05 -4.84 115.29 115.47 1s3n s HIS 12 Ca 0.00 0.32 -0.12 0.00 0.47 0.00 0.00 55.06 55.73 1s3n s HIS 12 Cb 0.00 -4.22 0.20 0.00 -0.13 0.00 0.00 32.58 28.43 1s3n s HIS 12 CO 0.00 -1.91 1.74 -0.07 -2.47 0.00 0.00 174.74 172.03 1s3n h LEU 13 N 16.28 0.12 0.27 8.88 4.07 -1.90 -1.85 115.31 141.19 1s3n h LEU 13 Ca 0.03 0.07 0.00 0.00 0.08 0.00 0.00 57.88 58.07 1s3n h LEU 13 Cb 1.04 0.08 -0.03 0.00 1.08 0.00 0.00 40.66 42.82 1s3n h LEU 13 CO 1.26 0.09 -0.35 -0.65 -1.08 0.00 0.00 178.44 177.71 1s3n h PRO 14 N 0.32 -0.65 -0.05 1.13 0.11 -1.99 -0.75 132.00 130.12 1s3n h PRO 14 Ca 0.25 0.04 -0.05 0.00 0.11 0.00 0.00 66.00 66.36 1s3n h PRO 14 Cb 0.31 0.15 -0.01 0.00 0.11 0.00 0.00 31.00 31.56 1s3n h PRO 14 CO -0.28 -0.44 -0.22 -0.91 -0.21 0.00 0.00 178.00 175.94 1s3n h ASN 15 N -0.68 0.07 -0.13 -2.05 2.35 -1.88 -0.14 115.58 113.13 1s3n h ASN 15 Ca -0.01 -0.02 -0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1s3n h ASN 15 Cb 0.64 -0.02 -0.01 0.00 0.05 0.00 0.00 38.32 38.99 1s3n h ASN 15 CO -0.11 0.30 0.07 0.40 -1.65 0.00 0.00 177.43 176.44 1s3n h ILE 16 N 0.07 1.09 -0.08 2.81 2.04 -0.86 -1.46 117.51 121.12 1s3n h ILE 16 Ca 0.01 -0.25 -0.00 0.00 1.00 0.00 0.00 64.86 65.62 1s3n h ILE 16 Cb 0.43 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.54 1s3n h ILE 16 CO 0.03 0.08 0.04 0.03 0.00 0.00 0.00 178.15 178.33 1s3n h ARG 17 N 0.11 0.11 -0.73 2.37 3.08 -0.34 0.11 114.38 119.09 1s3n h ARG 17 Ca 0.04 -0.02 0.20 0.00 0.07 0.00 0.00 59.98 60.28 1s3n h ARG 17 Cb 0.07 -0.02 -0.04 0.00 0.08 0.00 0.00 29.97 30.07 1s3n h ARG 17 CO -0.01 0.20 0.52 0.87 -1.07 0.00 0.00 179.97 180.48 1s3n h LYS 18 N -0.00 0.09 0.21 0.04 1.57 -0.92 0.16 116.57 117.71 1s3n h LYS 18 Ca 0.03 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 58.46 1s3n h LYS 18 Cb 0.13 -0.02 0.02 0.00 0.08 0.00 0.00 32.23 32.44 1s3n h LYS 18 CO -0.00 0.06 -1.63 0.00 -0.57 0.00 0.00 179.45 177.30 1s3n h ALA 19 N 1.64 0.05 0.00 3.86 0.00 -0.62 -2.34 119.26 121.85 1s3n h ALA 19 Ca 0.36 -1.03 -0.03 0.00 0.00 0.00 0.00 54.91 54.20 1s3n h ALA 19 Cb 1.28 0.34 -0.00 0.00 0.00 0.00 0.00 17.79 19.40 1s3n h ALA 19 CO -0.04 0.91 -0.14 0.82 0.00 0.00 0.00 179.25 180.81 1s3n h ILE 20 N 0.12 0.77 0.00 0.00 2.04 0.94 -0.56 117.51 120.83 1s3n h ILE 20 Ca -0.30 -0.54 -0.00 0.00 1.00 0.00 0.00 64.86 65.02 1s3n h ILE 20 Cb 2.12 1.32 0.00 0.00 -0.74 0.00 0.00 36.82 39.52 1s3n h ILE 20 CO 0.21 0.13 -0.00 -0.33 0.00 0.00 0.00 178.15 178.17 1s3n h GLU 21 N 0.00 -0.00 -0.92 2.37 5.08 -0.81 -2.97 114.58 117.33 1s3n h GLU 21 Ca -0.00 0.00 0.19 0.00 -1.00 0.00 0.00 59.36 58.55 1s3n h GLU 21 Cb 0.31 0.00 -0.11 0.00 0.50 0.00 0.00 28.75 29.45 1s3n h GLU 21 CO 0.02 0.72 0.49 0.82 -1.00 0.00 0.00 179.01 180.06 1s3n h ILE 22 N -1.00 0.64 0.33 3.13 2.04 -1.27 -1.41 117.51 119.97 1s3n h ILE 22 Ca -0.00 -0.21 -0.02 0.00 1.00 0.00 0.00 64.86 65.64 1s3n h ILE 22 Cb 0.72 -0.02 0.00 0.00 -0.74 0.00 0.00 36.82 36.79 1s3n h ILE 22 CO 0.00 0.11 -0.16 -0.26 0.00 0.00 0.00 178.15 177.84 1s3n h PHE 23 N 0.60 -0.41 -0.10 1.37 0.04 -1.19 -3.25 116.94 114.00 1s3n h PHE 23 Ca 0.54 -0.01 0.03 0.00 2.80 0.00 0.00 57.97 61.33 1s3n h PHE 23 Cb 0.88 0.14 -0.06 0.00 2.20 0.00 0.00 35.95 39.11 1s3n h PHE 23 CO -0.07 -0.10 -0.51 -0.91 -0.60 0.00 0.00 178.31 176.12 1s3n h ASN 24 N -0.73 -1.61 0.00 2.17 2.35 -1.20 -0.27 115.58 116.30 1s3n h ASN 24 Ca -0.05 0.19 0.00 0.00 -0.55 0.00 0.00 56.30 55.89 1s3n h ASN 24 Cb 0.50 0.62 0.00 0.00 0.05 0.00 0.00 38.32 39.49 1s3n h ASN 24 CO 0.07 -0.46 0.00 0.47 -1.65 0.00 0.00 177.43 175.86 1s3n n ASP 25 N -5.25 0.00 -2.90 5.81 8.00 -0.60 -4.46 116.55 117.15 1s3n n ASP 25 Ca -0.06 0.00 -0.15 0.00 0.71 0.00 0.00 54.79 55.29 1s3n n ASP 25 Cb 0.36 0.00 -0.04 0.00 -0.02 0.00 0.00 41.12 41.42 1s3n n ASP 25 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 1s3n n GLU 26 N -0.53 0.84 0.00 -1.24 1.02 -0.11 -5.08 120.64 115.54 1s3n n GLU 26 Ca 0.00 -1.91 0.00 0.00 -0.02 0.00 0.00 57.16 55.23 1s3n n GLU 26 Cb 0.00 0.95 0.00 0.00 -0.02 0.00 0.00 31.44 32.37 1s3n n GLU 26 CO 0.00 0.00 0.00 -1.71 1.18 0.00 0.00 177.13 176.60 1s3n n ASN 27 N -1.66 0.00 -2.99 1.62 2.85 -1.26 -4.94 115.26 108.88 1s3n n ASN 27 Ca -0.05 0.47 -0.01 0.00 -0.11 0.00 0.00 54.58 54.88 1s3n n ASN 27 Cb 0.34 0.00 -0.01 0.00 1.24 0.00 0.00 39.78 41.35 1s3n n ASN 27 CO 0.00 0.00 0.00 0.52 -2.11 0.00 0.00 177.26 175.67 1s3n n VAL 28 N -0.49 -4.14 0.02 3.44 0.31 -1.18 -4.91 118.33 111.38 1s3n n VAL 28 Ca 0.00 0.74 -0.20 0.00 -0.01 0.00 0.00 64.34 64.87 1s3n n VAL 28 Cb 0.00 -3.64 -0.14 0.00 -0.91 0.00 0.00 33.84 29.15 1s3n n VAL 28 CO 0.00 0.00 0.00 1.05 -1.32 0.00 0.00 176.83 176.56 1s3n h GLU 29 N 4.51 0.24 -4.52 5.55 4.11 -0.70 -3.41 114.58 120.36 1s3n h GLU 29 Ca -0.11 -0.41 -0.20 0.00 0.07 0.00 0.00 59.36 58.71 1s3n h GLU 29 Cb 0.43 0.15 -0.15 0.00 0.50 0.00 0.00 28.75 29.69 1s3n h GLU 29 CO 0.01 1.20 -0.67 0.95 0.07 0.00 0.00 179.01 180.56 1s3n s THR 30 N -2.43 0.42 -0.11 -1.06 -4.23 -1.25 -3.27 115.64 103.70 1s3n s THR 30 Ca -0.17 -1.91 -0.00 0.00 -1.18 0.00 0.00 61.69 58.43 1s3n s THR 30 Cb 0.02 -1.83 0.02 0.00 1.34 0.00 0.00 72.50 72.06 1s3n s THR 30 CO 0.78 -0.72 -0.08 -0.69 -0.54 0.00 0.00 174.62 173.38 1s3n s VAL 31 N -3.82 1.02 -0.08 2.29 1.01 0.10 -0.85 120.40 120.07 1s3n s VAL 31 Ca 0.16 -0.29 -0.19 0.00 0.00 0.00 0.00 61.98 61.67 1s3n s VAL 31 Cb 0.07 -1.04 -0.05 0.00 0.00 0.00 0.00 36.38 35.36 1s3n s VAL 31 CO -0.03 0.37 0.51 -0.63 0.00 0.00 0.00 175.10 175.32 1s3n s ILE 32 N 1.69 5.10 -0.24 2.22 1.01 0.40 -1.23 121.20 130.15 1s3n s ILE 32 Ca 0.05 1.04 -0.03 0.00 0.00 0.00 0.00 60.65 61.70 1s3n s ILE 32 Cb -0.13 -3.85 0.08 0.00 0.01 0.00 0.00 42.46 38.58 1s3n s ILE 32 CO -0.08 0.37 0.08 -2.28 0.00 0.00 0.00 174.94 173.03 1s3n s HIS 33 N 0.30 0.82 -0.76 3.97 2.46 -0.05 -1.19 115.29 120.84 1s3n s HIS 33 Ca 0.28 -0.95 0.23 0.00 0.47 0.00 0.00 55.06 55.08 1s3n s HIS 33 Cb -0.16 -1.08 0.05 0.00 -0.13 0.00 0.00 32.58 31.26 1s3n s HIS 33 CO 0.13 -0.71 1.04 0.00 -2.47 0.00 0.00 174.74 172.73 1s3n n GLY 35 N 1.42 -3.75 3.50 0.00 0.00 -1.26 -4.15 105.19 100.96 1s3n n GLY 35 Ca 0.03 -1.29 -0.43 0.00 0.00 0.00 0.00 46.02 44.33 1s3n n GLY 35 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 1s3n s ASP 36 N -2.79 6.27 0.03 1.61 -0.00 -1.26 -3.05 116.67 117.48 1s3n s ASP 36 Ca 0.44 -0.47 -0.22 0.00 -0.00 0.00 0.00 52.55 52.30 1s3n s ASP 36 Cb -0.07 -2.28 -0.15 0.00 -0.00 0.00 0.00 42.92 40.42 1s3n s ASP 36 CO 0.36 -0.68 1.36 -0.26 -0.00 0.00 0.00 175.17 175.95 1s3n h PHE 37 N 8.80 0.32 0.00 4.23 -1.00 -1.93 -1.96 116.94 125.40 1s3n h PHE 37 Ca -0.26 -0.09 0.00 0.00 2.81 0.00 0.00 57.97 60.43 1s3n h PHE 37 Cb 1.10 -0.07 0.00 0.00 3.61 0.00 0.00 35.95 40.59 1s3n h PHE 37 CO 0.68 0.65 0.00 0.28 -1.61 0.00 0.00 178.31 178.31 1s3n n VAL 38 N -4.65 0.00 -4.53 -0.55 0.31 -1.26 -1.55 118.33 106.10 1s3n n VAL 38 Ca -0.06 0.00 -0.21 0.00 -0.01 0.00 0.00 64.34 64.05 1s3n n VAL 38 Cb 0.31 0.00 -0.14 0.00 -0.91 0.00 0.00 33.84 33.10 1s3n n VAL 38 CO 0.00 0.00 0.00 -0.44 -1.32 0.00 0.00 176.83 175.07 1s3n s SER 39 N 0.00 1.62 0.40 4.52 0.01 -1.26 -4.32 113.70 114.67 1s3n s SER 39 Ca 0.00 -0.32 0.24 0.00 1.31 0.00 0.00 55.95 57.18 1s3n s SER 39 Cb 0.00 -0.15 1.29 0.00 0.21 0.00 0.00 66.02 67.36 1s3n s SER 39 CO 0.00 0.12 1.65 -0.07 0.41 0.00 0.00 173.24 175.36 1s3n h LEU 40 N 5.50 0.35 -2.05 2.44 3.38 -1.95 -0.25 115.31 122.73 1s3n h LEU 40 Ca -0.35 0.15 0.00 0.00 0.09 0.00 0.00 57.88 57.77 1s3n h LEU 40 Cb 1.17 0.12 0.00 0.00 0.09 0.00 0.00 40.66 42.04 1s3n h LEU 40 CO 0.47 -0.15 0.00 2.19 0.09 0.00 0.00 178.44 181.04 1s3n h PHE 41 N 0.18 0.00 -0.07 1.13 -5.15 -2.00 -1.30 116.94 109.74 1s3n h PHE 41 Ca 0.76 0.00 -0.02 0.00 -0.20 0.00 0.00 57.97 58.51 1s3n h PHE 41 Cb 2.16 0.00 -0.01 0.00 0.22 0.00 0.00 35.95 38.32 1s3n h PHE 41 CO -0.01 0.00 -0.06 0.28 -2.00 0.00 0.00 178.31 176.52 1s3n h VAL 42 N 0.00 1.09 0.00 0.88 2.07 -1.41 -1.86 116.25 117.03 1s3n h VAL 42 Ca 0.00 -0.38 -0.06 0.00 0.82 0.00 0.00 66.70 67.08 1s3n h VAL 42 Cb 0.23 1.10 -0.01 0.00 -1.52 0.00 0.00 31.29 31.10 1s3n h VAL 42 CO 0.00 0.12 -0.28 0.40 0.02 0.00 0.00 177.57 177.83 1s3n h ILE 43 N 0.10 0.89 0.03 4.57 1.08 -1.39 -3.03 117.51 119.75 1s3n h ILE 43 Ca 0.02 -1.09 -0.00 0.00 -0.39 0.00 0.00 64.86 63.41 1s3n h ILE 43 Cb 0.17 1.64 0.00 0.00 -3.07 0.00 0.00 36.82 35.57 1s3n h ILE 43 CO 0.01 0.27 -0.01 0.11 -0.69 0.00 0.00 178.15 177.84 1s3n h LYS 44 N 0.00 -0.03 -1.01 2.37 1.79 -1.46 -3.01 116.57 115.22 1s3n h LYS 44 Ca -0.00 0.00 0.32 0.00 -2.18 0.00 0.00 60.65 58.79 1s3n h LYS 44 Cb 0.62 0.01 -0.15 0.00 -1.58 0.00 0.00 32.23 31.13 1s3n h LYS 44 CO 0.04 0.37 0.58 0.93 -1.08 0.00 0.00 179.45 180.28 1s3n h GLU 45 N -0.45 0.33 0.00 3.15 4.39 -1.54 0.99 114.58 121.45 1s3n h GLU 45 Ca -0.00 -0.02 0.00 0.00 0.34 0.00 0.00 59.36 59.68 1s3n h GLU 45 Cb 0.42 -0.07 0.00 0.00 -0.10 0.00 0.00 28.75 29.00 1s3n h GLU 45 CO 0.01 0.22 0.00 1.19 -1.16 0.00 0.00 179.01 179.26 1s3n n PHE 46 N -5.04 0.79 0.20 4.33 3.72 -1.14 -1.97 117.46 118.36 1s3n n PHE 46 Ca 0.32 0.34 0.07 0.00 -0.05 0.00 0.00 57.45 58.13 1s3n n PHE 46 Cb 0.98 -1.05 0.35 0.00 -0.94 0.00 0.00 39.48 38.82 1s3n n PHE 46 CO 0.00 0.00 0.00 -0.85 -0.05 0.00 0.00 176.76 175.86 1s3n n GLU 47 N -2.25 0.09 -0.15 -1.08 0.28 0.34 -0.27 120.64 117.59 1s3n n GLU 47 Ca 0.01 0.50 0.11 0.00 -0.16 0.00 0.00 57.16 57.63 1s3n n GLU 47 Cb 0.17 -1.74 0.26 0.00 1.43 0.00 0.00 31.44 31.56 1s3n n GLU 47 CO 0.00 0.00 0.00 0.09 -0.16 0.00 0.00 177.13 177.06 1s3n n ASN 48 N -1.91 2.88 -4.60 -1.84 4.13 -0.83 -4.89 115.26 108.20 1s3n n ASN 48 Ca 0.00 -1.91 -0.40 0.00 1.68 0.00 0.00 54.58 53.95 1s3n n ASN 48 Cb 0.08 -0.20 -0.07 0.00 -1.54 0.00 0.00 39.78 38.04 1s3n n ASN 48 CO 0.00 0.00 0.00 -0.22 0.28 0.00 0.00 177.26 177.32 1s3n s LEU 49 N -1.51 4.12 0.11 3.41 2.96 0.63 -4.99 118.68 123.41 1s3n s LEU 49 Ca 0.36 0.40 -0.27 0.00 -0.22 0.00 0.00 54.13 54.40 1s3n s LEU 49 Cb 0.21 -2.67 -0.09 0.00 0.50 0.00 0.00 46.19 44.14 1s3n s LEU 49 CO 0.30 -0.35 1.64 0.78 -1.32 0.00 0.00 176.35 177.40 1s3n h ASN 50 N 8.13 -0.71 -4.05 3.68 2.35 -1.88 -3.44 115.58 119.66 1s3n h ASN 50 Ca -0.28 0.08 -0.47 0.00 -0.55 0.00 0.00 56.30 55.07 1s3n h ASN 50 Cb 1.13 0.27 0.14 0.00 0.05 0.00 0.00 38.32 39.91 1s3n h ASN 50 CO 0.74 -0.35 0.25 0.00 -1.65 0.00 0.00 177.43 176.42 1s3n s ALA 51 N -6.06 1.46 0.90 -0.83 0.00 -1.26 -5.06 121.76 110.90 1s3n s ALA 51 Ca -0.16 -0.23 -0.12 0.00 0.00 0.00 0.00 51.96 51.45 1s3n s ALA 51 Cb 0.08 -3.14 0.18 0.00 0.00 0.00 0.00 23.12 20.23 1s3n s ALA 51 CO 0.65 -2.43 1.24 0.54 0.00 0.00 0.00 175.76 175.76 1s3n s ASN 52 N -3.56 3.48 -0.10 0.00 4.22 -1.20 -4.81 114.94 112.98 1s3n s ASN 52 Ca 0.64 0.17 -0.00 0.00 -2.14 0.00 0.00 52.86 51.53 1s3n s ASN 52 Cb -0.17 -0.32 0.02 0.00 1.28 0.00 0.00 41.25 42.06 1s3n s ASN 52 CO 0.56 -2.48 -0.07 -0.63 -2.04 0.00 0.00 177.10 172.44 1s3n s ILE 53 N -3.71 0.95 -0.35 0.54 1.01 -1.26 -0.72 121.20 117.65 1s3n s ILE 53 Ca 0.71 -0.26 -0.08 0.00 0.00 0.00 0.00 60.65 61.02 1s3n s ILE 53 Cb -0.05 -0.97 0.04 0.00 0.01 0.00 0.00 42.46 41.50 1s3n s ILE 53 CO 0.51 0.35 0.14 -0.63 0.00 0.00 0.00 174.94 175.31 1s3n s ILE 54 N 1.54 4.04 0.33 2.92 1.09 -0.37 -1.46 121.20 129.30 1s3n s ILE 54 Ca 0.01 -1.07 0.10 0.00 -1.10 0.00 0.00 60.65 58.59 1s3n s ILE 54 Cb -0.13 -3.29 -0.06 0.00 -1.06 0.00 0.00 42.46 37.92 1s3n s ILE 54 CO -0.06 -0.22 -0.07 0.00 -0.10 0.00 0.00 174.94 174.49 1s3n s ALA 55 N 1.45 3.02 0.15 9.38 0.00 0.48 -0.87 121.76 135.36 1s3n s ALA 55 Ca -0.00 -1.98 0.07 0.00 0.00 0.00 0.00 51.96 50.05 1s3n s ALA 55 Cb -0.20 -0.25 -0.04 0.00 0.00 0.00 0.00 23.12 22.64 1s3n s ALA 55 CO 0.04 0.13 -0.15 -0.08 0.00 0.00 0.00 175.76 175.69 1s3n s THR 56 N -2.54 1.55 -0.29 0.00 -1.32 -0.25 -2.76 115.64 110.03 1s3n s THR 56 Ca 0.33 -1.86 -0.26 0.00 -1.21 0.00 0.00 61.69 58.69 1s3n s THR 56 Cb -0.00 -1.71 0.01 0.00 -1.51 0.00 0.00 72.50 69.28 1s3n s THR 56 CO 0.17 -0.41 0.94 -0.31 -2.21 0.00 0.00 174.62 172.80 1s3n s TYR 57 N -2.24 3.22 0.68 9.09 2.02 -0.77 -4.50 117.35 124.86 1s3n s TYR 57 Ca 0.13 1.10 -0.12 0.00 -0.37 0.00 0.00 57.07 57.81 1s3n s TYR 57 Cb -0.04 -3.37 0.00 0.00 -0.40 0.00 0.00 41.96 38.15 1s3n s TYR 57 CO 0.05 -0.60 1.06 0.20 -1.57 0.00 0.00 175.55 174.69 1s3n s GLY 58 N 1.52 1.80 0.39 0.71 0.00 -1.17 -4.60 107.32 105.97 1s3n s GLY 58 Ca 0.39 0.20 0.28 0.00 0.00 0.00 0.00 44.72 45.59 1s3n s GLY 58 CO 0.12 0.51 1.83 3.45 0.00 0.00 0.00 173.10 179.01 1s3n h ASN 59 N -0.46 0.00 0.56 1.64 -1.07 -1.93 -2.78 115.58 111.53 1s3n h ASN 59 Ca -0.45 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.92 1s3n h ASN 59 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 1s3n h ASN 59 CO 0.56 0.00 -0.53 0.59 0.07 0.00 0.00 177.43 178.12 1s3n n ASN 60 N -2.68 0.52 -4.56 6.14 3.02 -1.26 -4.82 115.26 111.62 1s3n n ASN 60 Ca 0.02 -0.18 -0.18 0.00 -0.03 0.00 0.00 54.58 54.21 1s3n n ASN 60 Cb 0.31 0.24 -0.07 0.00 -0.61 0.00 0.00 39.78 39.65 1s3n n ASN 60 CO 0.00 0.00 0.00 -1.81 -2.62 0.00 0.00 177.26 172.83 1s3n s ASP 61 N -3.20 4.29 0.05 6.41 1.01 -1.05 -4.85 116.67 119.33 1s3n s ASP 61 Ca 0.10 -0.35 -0.27 0.00 0.71 0.00 0.00 52.55 52.74 1s3n s ASP 61 Cb 0.17 -2.56 -0.17 0.00 1.01 0.00 0.00 42.92 41.37 1s3n s ASP 61 CO 0.70 -3.58 1.52 1.23 0.21 0.00 0.00 175.17 175.26 1s3n h GLY 62 N 20.87 -0.49 -5.64 0.21 0.00 -1.88 -3.34 103.07 112.80 1s3n h GLY 62 Ca 0.04 0.18 -0.64 0.00 0.00 0.00 0.00 47.33 46.92 1s3n h GLY 62 CO 1.08 -0.18 3.19 1.18 0.00 0.00 0.00 176.54 181.81 1s3n n GLU 63 N -5.24 2.83 -0.18 4.80 -0.58 -1.26 -4.79 120.64 116.22 1s3n n GLU 63 Ca -0.10 -2.18 -0.00 0.00 -0.42 0.00 0.00 57.16 54.45 1s3n n GLU 63 Cb 0.24 -2.94 0.08 0.00 -0.57 0.00 0.00 31.44 28.25 1s3n n GLU 63 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1s3n h ARG 64 N 5.98 0.12 0.00 3.49 3.08 -2.00 -1.71 114.38 123.34 1s3n h ARG 64 Ca 0.64 -0.01 -0.10 0.00 0.07 0.00 0.00 59.98 60.58 1s3n h ARG 64 Cb 0.45 -0.03 -0.02 0.00 0.08 0.00 0.00 29.97 30.46 1s3n h ARG 64 CO 1.80 0.08 -0.90 0.00 -1.07 0.00 0.00 179.97 179.87 1s3n h LYS 66 N 0.00 0.86 -0.96 0.00 1.63 -1.91 -2.66 116.57 113.52 1s3n h LYS 66 Ca -0.07 -0.36 0.01 0.00 -0.85 0.00 0.00 60.65 59.39 1s3n h LYS 66 Cb 1.37 -0.03 -0.05 0.00 -0.60 0.00 0.00 32.23 32.91 1s3n h LYS 66 CO 0.04 0.99 0.64 -0.07 -3.45 0.00 0.00 179.45 177.60 1s3n h LEU 67 N 0.74 1.10 0.34 5.20 3.38 -1.38 -1.51 115.31 123.18 1s3n h LEU 67 Ca 0.10 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 58.02 1s3n h LEU 67 Cb 0.76 -0.28 0.00 0.00 0.09 0.00 0.00 40.66 41.24 1s3n h LEU 67 CO 0.06 0.80 -0.16 0.50 0.09 0.00 0.00 178.44 179.73 1s3n h LYS 68 N 1.30 -0.44 0.28 1.13 3.64 -1.54 0.37 116.57 121.32 1s3n h LYS 68 Ca 0.35 0.03 -0.00 0.00 -1.27 0.00 0.00 60.65 59.76 1s3n h LYS 68 Cb -0.15 0.10 -0.03 0.00 -0.41 0.00 0.00 32.23 31.74 1s3n h LYS 68 CO -0.08 -0.15 -0.46 0.93 -2.27 0.00 0.00 179.45 177.43 1s3n h GLU 69 N -0.72 -0.75 -0.52 1.90 5.08 -1.41 -1.97 114.58 116.19 1s3n h GLU 69 Ca -0.05 0.05 0.10 0.00 -1.00 0.00 0.00 59.36 58.47 1s3n h GLU 69 Cb 0.49 0.17 -0.10 0.00 0.50 0.00 0.00 28.75 29.81 1s3n h GLU 69 CO 0.08 -0.50 -0.22 -1.49 -1.00 0.00 0.00 179.01 175.87 1s3n h TRP 70 N -0.78 -0.55 -0.76 4.33 4.06 -1.33 0.61 115.95 121.53 1s3n h TRP 70 Ca -0.03 0.06 0.17 0.00 2.06 0.00 0.00 58.89 61.14 1s3n h TRP 70 Cb 0.72 0.32 -0.05 0.00 -1.00 0.00 0.00 29.16 29.16 1s3n h TRP 70 CO -0.33 -0.31 0.51 -0.07 -3.56 0.00 0.00 178.44 174.69 1s3n h LEU 71 N -0.10 0.32 0.10 -4.49 3.38 -0.65 -2.18 115.31 111.69 1s3n h LEU 71 Ca 0.24 0.02 -0.26 0.00 0.09 0.00 0.00 57.88 57.97 1s3n h LEU 71 Cb 0.47 -0.04 0.03 0.00 0.09 0.00 0.00 40.66 41.21 1s3n h LEU 71 CO -0.59 0.16 -1.07 0.11 0.09 0.00 0.00 178.44 177.14 1s3n h LYS 72 N 0.34 0.55 -0.19 1.13 1.57 0.92 -2.98 116.57 117.91 1s3n h LYS 72 Ca 0.38 -0.73 0.06 0.00 -1.87 0.00 0.00 60.65 58.49 1s3n h LYS 72 Cb 0.98 0.24 -0.01 0.00 0.08 0.00 0.00 32.23 33.52 1s3n h LYS 72 CO -0.11 1.32 0.25 -0.44 -0.57 0.00 0.00 179.45 179.90 1s3n h ASP 73 N 0.13 0.00 1.73 0.86 3.32 -0.49 2.26 116.42 124.23 1s3n h ASP 73 Ca -0.16 0.00 -0.03 0.00 0.02 0.00 0.00 57.03 56.86 1s3n h ASP 73 Cb 1.77 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.32 1s3n h ASP 73 CO 0.21 0.00 -0.14 0.40 -1.72 0.00 0.00 179.24 177.99 1s3n h ILE 74 N 0.00 0.25 0.00 0.35 1.08 -1.36 -3.46 117.51 114.36 1s3n h ILE 74 Ca 0.09 -1.27 0.00 0.00 -0.39 0.00 0.00 64.86 63.29 1s3n h ILE 74 Cb 0.59 2.05 0.00 0.00 -3.07 0.00 0.00 36.82 36.39 1s3n h ILE 74 CO -0.00 0.14 0.00 -3.20 -0.69 0.00 0.00 178.15 174.39 1s3n n ASN 75 N -3.15 0.00 0.11 1.72 4.05 0.76 -4.99 115.26 113.77 1s3n n ASN 75 Ca 0.03 0.00 -0.03 0.00 0.45 0.00 0.00 54.58 55.03 1s3n n ASN 75 Cb 0.56 0.00 0.15 0.00 1.23 0.00 0.00 39.78 41.72 1s3n n ASN 75 CO 0.00 0.00 0.00 1.05 -3.05 0.00 0.00 177.26 175.26 1s3n h GLU 76 N 0.00 0.11 -0.39 1.20 4.11 -1.85 -3.21 114.58 114.55 1s3n h GLU 76 Ca 0.00 -0.08 -0.07 0.00 0.07 0.00 0.00 59.36 59.28 1s3n h GLU 76 Cb 0.00 0.01 -0.02 0.00 0.50 0.00 0.00 28.75 29.24 1s3n h GLU 76 CO 0.00 0.69 -0.06 0.93 0.07 0.00 0.00 179.01 180.63 1s3n h GLU 77 N 0.08 0.66 -6.31 1.06 5.08 -1.94 -3.45 114.58 109.75 1s3n h GLU 77 Ca -0.01 -0.19 -0.66 0.00 -1.00 0.00 0.00 59.36 57.51 1s3n h GLU 77 Cb 1.10 -0.07 0.05 0.00 0.50 0.00 0.00 28.75 30.32 1s3n h GLU 77 CO 0.09 0.72 0.63 0.09 -1.00 0.00 0.00 179.01 179.54 1s3n n ASN 78 N -4.21 2.21 -4.34 1.42 4.13 -1.21 -4.89 115.26 108.37 1s3n n ASN 78 Ca 0.02 1.10 -0.24 0.00 1.68 0.00 0.00 54.58 57.13 1s3n n ASN 78 Cb 0.31 -1.25 -0.12 0.00 -1.54 0.00 0.00 39.78 37.18 1s3n n ASN 78 CO 0.00 0.00 0.00 0.27 0.28 0.00 0.00 177.26 177.81 1s3n s ILE 79 N 1.19 1.93 -0.26 2.41 -4.36 -0.53 -4.68 121.20 116.88 1s3n s ILE 79 Ca 0.85 -1.77 -0.04 0.00 -0.26 0.00 0.00 60.65 59.43 1s3n s ILE 79 Cb -0.88 -1.80 0.14 0.00 1.25 0.00 0.00 42.46 41.17 1s3n s ILE 79 CO 0.47 -0.13 0.51 -0.51 0.24 0.00 0.00 174.94 175.52 1s3n s ILE 80 N -1.50 -0.81 0.37 8.37 2.07 -1.25 -0.39 121.20 128.06 1s3n s ILE 80 Ca 0.13 0.01 0.06 0.00 -1.41 0.00 0.00 60.65 59.44 1s3n s ILE 80 Cb -0.08 -0.88 -0.03 0.00 0.13 0.00 0.00 42.46 41.60 1s3n s ILE 80 CO 0.06 -0.02 0.21 -0.62 -1.91 0.00 0.00 174.94 172.66 1s3n s ASP 81 N 2.73 2.19 0.21 4.50 2.15 -1.11 -4.92 116.67 122.41 1s3n s ASP 81 Ca 0.09 -1.73 0.05 0.00 0.43 0.00 0.00 52.55 51.39 1s3n s ASP 81 Cb -0.14 0.56 0.14 0.00 -0.30 0.00 0.00 42.92 43.17 1s3n s ASP 81 CO -0.17 -1.01 1.48 0.44 -0.17 0.00 0.00 175.17 175.73 1s3n h ASP 82 N 1.97 0.17 -3.54 -0.34 3.32 -1.91 -2.05 116.42 114.04 1s3n h ASP 82 Ca -0.29 -0.12 -0.30 0.00 0.02 0.00 0.00 57.03 56.34 1s3n h ASP 82 Cb 1.25 -0.05 -0.33 0.00 0.22 0.00 0.00 39.33 40.42 1s3n h ASP 82 CO 0.45 0.85 -0.73 -0.36 -1.72 0.00 0.00 179.24 177.74 1s3n s PHE 83 N -3.41 0.06 -0.21 4.55 0.40 -1.26 -4.44 117.98 113.66 1s3n s PHE 83 Ca -0.02 0.11 0.01 0.00 -0.60 0.00 0.00 56.93 56.42 1s3n s PHE 83 Cb 0.11 -0.24 0.05 0.00 0.51 0.00 0.00 43.02 43.45 1s3n s PHE 83 CO 0.80 -0.09 -0.10 0.42 0.70 0.00 0.00 175.22 176.95 1s3n s ILE 84 N 0.98 1.73 -0.38 0.64 -1.09 -0.65 -5.00 121.20 117.43 1s3n s ILE 84 Ca -0.08 -1.12 -0.06 0.00 -2.23 0.00 0.00 60.65 57.16 1s3n s ILE 84 Cb -0.12 -1.82 0.08 0.00 -1.58 0.00 0.00 42.46 39.02 1s3n s ILE 84 CO -0.03 0.13 0.17 -0.94 -1.23 0.00 0.00 174.94 173.05 1s3n s SER 85 N 1.35 5.35 0.35 3.58 1.04 -1.26 -1.07 113.70 123.03 1s3n s SER 85 Ca -0.02 -1.55 0.05 0.00 0.48 0.00 0.00 55.95 54.90 1s3n s SER 85 Cb -0.17 -1.87 -0.07 0.00 0.10 0.00 0.00 66.02 64.01 1s3n s SER 85 CO -0.08 -0.46 0.04 0.68 0.98 0.00 0.00 173.24 174.41 1s3n s VAL 86 N 1.31 1.44 -0.04 5.02 -7.23 -0.64 -4.95 120.40 115.31 1s3n s VAL 86 Ca 0.02 -2.00 0.06 0.00 -1.81 0.00 0.00 61.98 58.25 1s3n s VAL 86 Cb -0.22 -2.85 -0.02 0.00 0.56 0.00 0.00 36.38 33.85 1s3n s VAL 86 CO -0.00 -0.00 -0.21 -0.70 -0.31 0.00 0.00 175.10 173.87 1s3n s GLU 87 N -3.84 2.32 -0.07 4.82 2.12 -1.26 0.57 118.70 123.36 1s3n s GLU 87 Ca 0.36 -0.84 -0.15 0.00 0.36 0.00 0.00 54.97 54.70 1s3n s GLU 87 Cb 0.09 -2.19 0.03 0.00 0.26 0.00 0.00 34.13 32.33 1s3n s GLU 87 CO 0.16 0.56 0.36 0.42 -0.54 0.00 0.00 175.26 176.23 1s3n s ILE 88 N -0.60 0.03 -1.32 -3.70 1.01 0.09 -4.89 121.20 111.82 1s3n s ILE 88 Ca 0.09 -0.24 -0.06 0.00 0.00 0.00 0.00 60.65 60.44 1s3n s ILE 88 Cb -0.11 -0.60 0.06 0.00 0.01 0.00 0.00 42.46 41.82 1s3n s ILE 88 CO 0.00 -0.13 0.15 0.47 0.00 0.00 0.00 174.94 175.42 1s3n n ASP 89 N 1.96 0.09 -3.46 3.58 9.92 -1.26 0.46 116.55 127.83 1s3n n ASP 89 Ca -0.18 -1.02 -0.18 0.00 -0.53 0.00 0.00 54.79 52.89 1s3n n ASP 89 Cb 0.57 -1.27 0.08 0.00 -0.64 0.00 0.00 41.12 39.85 1s3n n ASP 89 CO 0.00 0.00 0.00 0.47 0.13 0.00 0.00 177.20 177.80 1s3n n ASP 90 N -2.12 -2.01 -3.74 -2.24 8.00 -1.26 -4.90 116.55 108.28 1s3n n ASP 90 Ca -0.15 -0.65 -0.12 0.00 0.71 0.00 0.00 54.79 54.57 1s3n n ASP 90 Cb 0.50 -4.99 -0.11 0.00 -0.02 0.00 0.00 41.12 36.50 1s3n n ASP 90 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 1s3n s LEU 91 N -6.38 0.50 -0.28 0.64 1.43 0.17 -5.13 118.68 109.63 1s3n s LEU 91 Ca 0.01 0.73 -0.24 0.00 -1.03 0.00 0.00 54.13 53.60 1s3n s LEU 91 Cb -0.00 1.20 -0.00 0.00 0.03 0.00 0.00 46.19 47.41 1s3n s LEU 91 CO 0.74 -0.14 0.81 -0.54 0.23 0.00 0.00 176.35 177.45 1s3n s LYS 92 N 0.49 4.07 -0.07 1.70 -0.14 -1.26 -0.73 119.74 123.80 1s3n s LYS 92 Ca -0.02 0.76 0.02 0.00 -1.36 0.00 0.00 55.97 55.36 1s3n s LYS 92 Cb -0.04 -3.69 -0.03 0.00 -1.68 0.00 0.00 37.83 32.40 1s3n s LYS 92 CO -0.03 -0.60 -0.12 -0.06 -0.76 0.00 0.00 175.35 173.79 1s3n s PHE 93 N 2.91 2.79 -0.22 3.18 0.40 0.19 -0.46 117.98 126.78 1s3n s PHE 93 Ca 0.33 -0.16 0.01 0.00 -0.60 0.00 0.00 56.93 56.51 1s3n s PHE 93 Cb -0.15 -1.69 0.05 0.00 0.51 0.00 0.00 43.02 41.75 1s3n s PHE 93 CO 0.10 0.18 -0.08 0.12 0.70 0.00 0.00 175.22 176.24 1s3n s PHE 94 N -0.60 2.44 -0.07 0.36 5.36 -0.71 -1.63 117.98 123.14 1s3n s PHE 94 Ca 0.09 -1.69 0.02 0.00 -0.96 0.00 0.00 56.93 54.38 1s3n s PHE 94 Cb -0.11 -1.62 -0.03 0.00 -0.34 0.00 0.00 43.02 40.92 1s3n s PHE 94 CO 0.01 -0.76 -0.11 0.42 -1.46 0.00 0.00 175.22 173.33 1s3n s ILE 95 N 1.38 3.37 0.03 3.12 1.01 -0.23 -1.24 121.20 128.64 1s3n s ILE 95 Ca -0.04 -0.60 -0.27 0.00 0.00 0.00 0.00 60.65 59.74 1s3n s ILE 95 Cb -0.18 -2.36 0.09 0.00 0.01 0.00 0.00 42.46 40.02 1s3n s ILE 95 CO -0.07 0.58 0.78 0.28 0.00 0.00 0.00 174.94 176.52 1s3n s THR 96 N -0.61 0.00 0.44 2.92 -1.32 -0.59 -1.64 115.64 114.84 1s3n s THR 96 Ca 0.09 0.00 -0.22 0.00 -1.21 0.00 0.00 61.69 60.35 1s3n s THR 96 Cb -0.11 -1.00 -0.09 0.00 -1.51 0.00 0.00 72.50 69.79 1s3n s THR 96 CO 0.01 0.00 1.03 -2.28 -2.21 0.00 0.00 174.62 171.17 1s3n s HIS 97 N -2.88 3.16 0.21 9.09 2.46 -1.26 -3.55 115.29 122.52 1s3n s HIS 97 Ca 0.01 1.61 0.19 0.00 0.47 0.00 0.00 55.06 57.35 1s3n s HIS 97 Cb -0.01 -3.06 1.06 0.00 -0.13 0.00 0.00 32.58 30.44 1s3n s HIS 97 CO -0.07 -0.64 1.54 0.78 -2.47 0.00 0.00 174.74 173.88 1s3n h GLY 98 N 2.02 0.00 0.00 1.59 0.00 -1.82 -3.37 103.07 101.49 1s3n h GLY 98 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1s3n h GLY 98 CO 0.61 0.00 0.00 1.57 0.00 0.00 0.00 176.54 178.72 1s3n n HIS 99 N -2.35 0.00 -3.24 5.60 -0.00 -1.26 -3.59 115.22 110.38 1s3n n HIS 99 Ca -0.01 0.00 -0.44 0.00 -0.00 0.00 0.00 57.72 57.26 1s3n n HIS 99 Cb 0.31 0.00 -0.06 0.00 -0.00 0.00 0.00 29.99 30.24 1s3n n HIS 99 CO 0.00 0.00 0.00 -1.01 -0.00 0.00 0.00 176.34 175.33 1s3n s HIS 100 N -0.32 3.12 0.22 1.57 3.76 -1.26 -4.95 115.29 117.42 1s3n s HIS 100 Ca 0.00 -0.82 -0.05 0.00 -0.15 0.00 0.00 55.06 54.04 1s3n s HIS 100 Cb 0.00 -3.53 0.20 0.00 1.11 0.00 0.00 32.58 30.36 1s3n s HIS 100 CO 0.00 -1.00 1.69 0.37 -0.85 0.00 0.00 174.74 174.95 1s3n h GLN 101 N 8.94 0.91 -0.45 1.40 4.15 -1.93 -2.85 115.11 125.28 1s3n h GLN 101 Ca -0.28 -0.28 0.09 0.00 0.77 0.00 0.00 58.65 58.94 1s3n h GLN 101 Cb 1.10 -0.09 -0.08 0.00 0.21 0.00 0.00 27.48 28.62 1s3n h GLN 101 CO 0.97 0.93 -0.05 0.66 -1.93 0.00 0.00 178.83 179.40 1s3n h SER 102 N 0.83 -0.30 -0.17 -0.69 4.64 -1.93 0.31 113.55 116.25 1s3n h SER 102 Ca 0.15 0.12 -0.12 0.00 -0.47 0.00 0.00 61.79 61.47 1s3n h SER 102 Cb 0.55 0.23 -0.01 0.00 -0.31 0.00 0.00 62.40 62.86 1s3n h SER 102 CO 0.03 -0.10 -0.29 0.58 -0.87 0.00 0.00 176.83 176.18 1s3n h VAL 103 N 0.06 1.28 0.34 0.95 2.07 -1.96 -2.44 116.25 116.54 1s3n h VAL 103 Ca 0.22 -1.39 -0.02 0.00 0.82 0.00 0.00 66.70 66.33 1s3n h VAL 103 Cb 0.34 1.34 0.00 0.00 -1.52 0.00 0.00 31.29 31.45 1s3n h VAL 103 CO -0.42 0.45 -0.16 0.25 0.02 0.00 0.00 177.57 177.71 1s3n h LEU 104 N 0.56 -0.38 -0.51 2.57 5.85 -1.08 -1.75 115.31 120.57 1s3n h LEU 104 Ca 0.07 -0.04 0.07 0.00 0.84 0.00 0.00 57.88 58.82 1s3n h LEU 104 Cb 0.78 0.10 -0.06 0.00 0.37 0.00 0.00 40.66 41.85 1s3n h LEU 104 CO 0.06 -0.20 0.20 -0.08 -0.34 0.00 0.00 178.44 178.08 1s3n h GLU 105 N -0.54 0.37 -0.08 1.25 4.57 -0.40 -2.09 114.58 117.67 1s3n h GLU 105 Ca -0.05 -0.02 -0.07 0.00 -1.18 0.00 0.00 59.36 58.04 1s3n h GLU 105 Cb 0.40 -0.08 -0.01 0.00 -0.16 0.00 0.00 28.75 28.90 1s3n h GLU 105 CO 0.08 0.25 -0.28 1.98 -1.18 0.00 0.00 179.01 179.85 1s3n h MET 106 N 0.39 0.14 -0.25 1.92 1.85 -1.38 -0.41 114.93 117.18 1s3n h MET 106 Ca 0.25 -0.05 -0.09 0.00 -0.61 0.00 0.00 59.70 59.19 1s3n h MET 106 Cb 0.25 -0.01 -0.01 0.00 0.43 0.00 0.00 31.60 32.25 1s3n h MET 106 CO -0.24 0.42 -0.25 0.00 -0.40 0.00 0.00 176.91 176.44 1s3n h ALA 107 N 1.59 1.11 0.12 0.39 0.00 -0.62 0.55 119.26 122.40 1s3n h ALA 107 Ca 0.02 -0.34 -0.01 0.00 0.00 0.00 0.00 54.91 54.58 1s3n h ALA 107 Cb 0.57 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.24 1s3n h ALA 107 CO 0.04 0.55 -0.06 0.82 0.00 0.00 0.00 179.25 180.61 1s3n h ILE 108 N 0.42 0.00 -0.88 0.00 2.04 -1.19 -3.34 117.51 114.55 1s3n h ILE 108 Ca 0.06 -0.85 0.20 0.00 1.00 0.00 0.00 64.86 65.27 1s3n h ILE 108 Cb 0.66 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.68 1s3n h ILE 108 CO 0.05 0.00 0.59 0.11 0.00 0.00 0.00 178.15 178.89 1s3n h LYS 109 N -1.00 0.39 -0.47 2.37 1.57 -1.11 -2.64 116.57 115.68 1s3n h LYS 109 Ca -0.02 -0.02 0.07 0.00 -1.87 0.00 0.00 60.65 58.81 1s3n h LYS 109 Cb 0.12 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.29 1s3n h LYS 109 CO 0.03 0.26 0.15 0.66 -0.57 0.00 0.00 179.45 179.98 1s3n h SER 110 N 0.40 0.14 0.00 0.86 4.64 -1.00 -3.47 113.55 115.12 1s3n h SER 110 Ca 0.46 0.06 0.00 0.00 -0.47 0.00 0.00 61.79 61.84 1s3n h SER 110 Cb 1.13 0.05 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 1s3n h SER 110 CO -0.17 0.11 0.00 0.61 -0.87 0.00 0.00 176.83 176.51 1s3n n GLY 111 N -1.26 0.62 0.19 -0.77 0.00 -1.00 -4.96 105.19 98.02 1s3n n GLY 111 Ca 0.04 -0.72 0.12 0.00 0.00 0.00 0.00 46.02 45.46 1s3n n GLY 111 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1s3n n LEU 112 N 0.00 1.16 -4.30 0.99 4.77 -1.26 -4.96 117.00 113.39 1s3n n LEU 112 Ca 0.00 -0.39 -0.16 0.00 -0.03 0.00 0.00 56.01 55.43 1s3n n LEU 112 Cb 0.05 -0.09 -0.10 0.00 -2.33 0.00 0.00 43.42 40.94 1s3n n LEU 112 CO 0.00 0.24 -0.36 -0.31 -1.33 0.00 0.00 177.39 175.63 1s3n s TYR 113 N -2.73 1.46 -0.25 -1.77 2.02 -1.26 -4.91 117.35 109.91 1s3n s TYR 113 Ca 0.16 -0.85 -0.08 0.00 -0.37 0.00 0.00 57.07 55.92 1s3n s TYR 113 Cb 0.18 -0.81 -0.16 0.00 -0.40 0.00 0.00 41.96 40.77 1s3n s TYR 113 CO 0.66 0.02 -0.17 -0.25 -1.57 0.00 0.00 175.55 174.24 1s3n n ASP 114 N -0.34 1.97 -4.31 2.29 8.00 0.39 -4.75 116.55 119.81 1s3n n ASP 114 Ca -0.07 0.16 -0.32 0.00 0.71 0.00 0.00 54.79 55.27 1s3n n ASP 114 Cb 0.63 -0.70 -0.16 0.00 -0.02 0.00 0.00 41.12 40.87 1s3n n ASP 114 CO 0.00 0.00 0.00 -0.69 -0.39 0.00 0.00 177.20 176.12 1s3n s VAL 115 N -2.50 2.40 -0.08 2.53 1.01 0.05 0.40 120.40 124.21 1s3n s VAL 115 Ca -0.35 -0.93 0.04 0.00 0.00 0.00 0.00 61.98 60.74 1s3n s VAL 115 Cb 0.11 -1.92 0.00 0.00 0.00 0.00 0.00 36.38 34.57 1s3n s VAL 115 CO 0.57 0.56 -0.20 -0.69 0.00 0.00 0.00 175.10 175.34 1s3n s VAL 116 N -0.05 1.73 -0.05 2.92 1.01 -0.05 -1.73 120.40 124.18 1s3n s VAL 116 Ca -0.06 -0.85 0.03 0.00 0.00 0.00 0.00 61.98 61.10 1s3n s VAL 116 Cb -0.14 -1.51 0.01 0.00 0.00 0.00 0.00 36.38 34.74 1s3n s VAL 116 CO 0.05 0.49 -0.12 -0.63 0.00 0.00 0.00 175.10 174.88 1s3n s ILE 117 N 0.31 1.10 0.38 2.22 1.01 -0.37 -0.20 121.20 125.65 1s3n s ILE 117 Ca -0.14 -0.49 -0.08 0.00 0.00 0.00 0.00 60.65 59.95 1s3n s ILE 117 Cb -0.16 -0.99 0.03 0.00 0.01 0.00 0.00 42.46 41.35 1s3n s ILE 117 CO 0.06 0.34 0.63 -0.72 0.00 0.00 0.00 174.94 175.25 1s3n s TYR 118 N 0.45 0.70 0.00 3.97 -0.85 -0.59 -1.54 117.35 119.49 1s3n s TYR 118 Ca -0.10 -1.13 0.00 0.00 -0.52 0.00 0.00 57.07 55.32 1s3n s TYR 118 Cb -0.13 0.33 0.00 0.00 0.38 0.00 0.00 41.96 42.54 1s3n s TYR 118 CO 0.03 -1.37 0.00 0.41 -1.52 0.00 0.00 175.55 173.10 1s3n n GLY 119 N -0.57 3.87 5.00 5.49 0.00 -1.23 -4.02 105.19 113.72 1s3n n GLY 119 Ca -0.03 -0.31 0.00 0.00 0.00 0.00 0.00 46.02 45.68 1s3n n GLY 119 CO 0.00 0.00 0.00 1.57 0.00 0.00 0.00 173.32 174.89 1s3n n HIS 120 N 0.00 0.00 0.20 1.61 -0.00 -1.26 -2.55 115.22 113.21 1s3n n HIS 120 Ca 0.00 0.00 0.06 0.00 -0.00 0.00 0.00 57.72 57.78 1s3n n HIS 120 Cb 0.00 0.00 0.40 0.00 -0.00 0.00 0.00 29.99 30.39 1s3n n HIS 120 CO 0.00 0.00 0.00 1.79 -0.00 0.00 0.00 176.34 178.13 1s3n h THR 121 N 0.00 0.97 0.00 3.57 1.35 -1.95 -3.47 112.91 113.37 1s3n h THR 121 Ca 0.00 -1.32 0.00 0.00 -0.55 0.00 0.00 66.41 64.54 1s3n h THR 121 Cb 0.00 1.77 0.00 0.00 -1.73 0.00 0.00 68.15 68.19 1s3n h THR 121 CO 0.00 0.34 0.00 1.41 -0.25 0.00 0.00 175.52 177.02 1s3n n HIS 122 N -3.73 0.00 -3.64 4.73 8.25 -1.26 -4.98 115.22 114.60 1s3n n HIS 122 Ca -0.01 0.00 -0.40 0.00 -0.26 0.00 0.00 57.72 57.05 1s3n n HIS 122 Cb 0.44 -0.47 -0.10 0.00 1.12 0.00 0.00 29.99 30.97 1s3n n HIS 122 CO 0.00 0.00 0.00 -1.21 0.64 0.00 0.00 176.34 175.77 1s3n s GLU 123 N -0.46 2.56 0.26 -0.41 0.41 -1.26 -4.08 118.70 115.71 1s3n s GLU 123 Ca 0.00 -1.45 -0.30 0.00 -0.41 0.00 0.00 54.97 52.81 1s3n s GLU 123 Cb 0.00 -3.72 -0.09 0.00 -1.78 0.00 0.00 34.13 28.54 1s3n s GLU 123 CO 0.00 -0.92 1.29 -0.98 -0.49 0.00 0.00 175.26 174.16 1s3n s ARG 124 N 1.40 4.40 0.09 1.61 1.04 -1.26 -4.61 118.95 121.61 1s3n s ARG 124 Ca 0.03 2.10 -0.05 0.00 -1.04 0.00 0.00 55.73 56.76 1s3n s ARG 124 Cb -0.23 -3.14 -0.02 0.00 -2.04 0.00 0.00 34.95 29.52 1s3n s ARG 124 CO 0.02 -0.18 0.10 0.54 -0.04 0.00 0.00 175.30 175.74 1s3n s VAL 125 N -0.50 0.16 -0.36 4.99 0.11 -0.92 -4.93 120.40 118.95 1s3n s VAL 125 Ca 0.53 -1.50 0.06 0.00 -2.93 0.00 0.00 61.98 58.13 1s3n s VAL 125 Cb -0.37 -1.52 0.18 0.00 -1.53 0.00 0.00 36.38 33.13 1s3n s VAL 125 CO 0.44 -0.73 0.53 0.12 -3.33 0.00 0.00 175.10 172.13 1s3n s PHE 126 N -3.91 -1.32 0.14 1.54 5.36 -1.26 -2.10 117.98 116.42 1s3n s PHE 126 Ca 0.09 0.19 0.04 0.00 -0.96 0.00 0.00 56.93 56.29 1s3n s PHE 126 Cb 0.06 0.08 -0.04 0.00 -0.34 0.00 0.00 43.02 42.78 1s3n s PHE 126 CO -0.08 -1.08 -0.10 -1.83 -1.46 0.00 0.00 175.22 170.66 1s3n s GLU 127 N 2.07 1.02 -0.27 10.12 -1.05 -0.55 -5.01 118.70 125.03 1s3n s GLU 127 Ca 0.14 -1.40 -0.02 0.00 -0.15 0.00 0.00 54.97 53.54 1s3n s GLU 127 Cb -0.09 -0.60 0.03 0.00 -0.44 0.00 0.00 34.13 33.03 1s3n s GLU 127 CO -0.14 0.07 -0.03 -2.00 0.95 0.00 0.00 175.26 174.12 1s3n s GLU 128 N -3.59 2.76 -0.59 -4.83 2.56 -1.26 -0.01 118.70 113.74 1s3n s GLU 128 Ca 0.15 -1.04 0.04 0.00 0.00 0.00 0.00 54.97 54.12 1s3n s GLU 128 Cb 0.02 -3.09 0.16 0.00 2.00 0.00 0.00 34.13 33.21 1s3n s GLU 128 CO 0.00 -0.47 0.39 0.54 -0.56 0.00 0.00 175.26 175.17 1s3n s VAL 129 N 1.33 2.24 -0.29 3.70 0.11 -0.48 -4.84 120.40 122.17 1s3n s VAL 129 Ca -0.01 -3.62 -0.01 0.00 -2.93 0.00 0.00 61.98 55.41 1s3n s VAL 129 Cb -0.18 -2.50 0.00 0.00 -1.53 0.00 0.00 36.38 32.17 1s3n s VAL 129 CO -0.03 -0.99 0.28 0.47 -3.33 0.00 0.00 175.10 171.50 1s3n n ASP 130 N 2.52 -4.34 0.00 3.54 8.00 -1.26 -3.72 116.55 121.29 1s3n n ASP 130 Ca 0.17 -0.01 0.00 0.00 0.71 0.00 0.00 54.79 55.67 1s3n n ASP 130 Cb 0.36 -2.74 0.00 0.00 -0.02 0.00 0.00 41.12 38.72 1s3n n ASP 130 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1s3n n ASP 131 N -1.23 0.00 -4.68 -2.24 10.43 -1.26 -4.90 116.55 112.67 1s3n n ASP 131 Ca 0.00 0.00 -0.40 0.00 2.57 0.00 0.00 54.79 56.96 1s3n n ASP 131 Cb 0.47 -0.53 -0.05 0.00 1.84 0.00 0.00 41.12 42.86 1s3n n ASP 131 CO 0.00 0.00 0.00 -0.69 -1.07 0.00 0.00 177.20 175.44 1s3n s VAL 132 N -0.82 4.98 -0.63 2.53 1.01 -1.24 -4.84 120.40 121.38 1s3n s VAL 132 Ca 0.00 1.42 -0.22 0.00 0.00 0.00 0.00 61.98 63.18 1s3n s VAL 132 Cb 0.00 -4.04 0.07 0.00 0.00 0.00 0.00 36.38 32.41 1s3n s VAL 132 CO 0.00 0.12 0.93 -0.22 0.00 0.00 0.00 175.10 175.93 1s3n s LEU 133 N 1.69 4.43 -0.21 3.92 1.98 0.16 -1.38 118.68 129.28 1s3n s LEU 133 Ca 0.35 -0.92 -0.16 0.00 -2.89 0.00 0.00 54.13 50.51 1s3n s LEU 133 Cb -0.17 -2.47 -0.04 0.00 0.66 0.00 0.00 46.19 44.17 1s3n s LEU 133 CO 0.13 -1.37 0.39 -0.69 -1.89 0.00 0.00 176.35 172.92 1s3n s VAL 134 N 3.91 5.21 -0.04 1.68 1.01 0.98 -0.87 120.40 132.28 1s3n s VAL 134 Ca 0.22 0.68 0.02 0.00 0.00 0.00 0.00 61.98 62.90 1s3n s VAL 134 Cb -0.17 -3.72 0.01 0.00 0.00 0.00 0.00 36.38 32.51 1s3n s VAL 134 CO 0.11 0.25 -0.08 -0.63 0.00 0.00 0.00 175.10 174.75 1s3n s ILE 135 N 1.33 0.79 -0.21 2.22 1.01 0.72 -1.49 121.20 125.57 1s3n s ILE 135 Ca 0.18 -0.32 0.00 0.00 0.00 0.00 0.00 60.65 60.52 1s3n s ILE 135 Cb -0.15 -0.73 0.05 0.00 0.01 0.00 0.00 42.46 41.64 1s3n s ILE 135 CO 0.08 0.26 -0.06 0.21 0.00 0.00 0.00 174.94 175.43 1s3n s ASN 136 N 0.48 3.53 0.03 3.58 3.84 -0.89 -1.54 114.94 123.98 1s3n s ASN 136 Ca -0.08 -1.01 0.13 0.00 0.21 0.00 0.00 52.86 52.12 1s3n s ASN 136 Cb -0.12 -1.13 0.57 0.00 -0.55 0.00 0.00 41.25 40.02 1s3n s ASN 136 CO 0.01 -0.21 1.42 -0.81 -2.79 0.00 0.00 177.10 174.72 1s3n n PRO 137 N 4.72 0.02 0.00 0.43 -0.04 -1.26 -2.17 135.00 136.70 1s3n n PRO 137 Ca -0.13 0.31 0.00 0.00 -0.04 0.00 0.00 63.50 63.65 1s3n n PRO 137 Cb 0.45 -1.54 0.00 0.00 -0.04 0.00 0.00 33.50 32.37 1s3n n PRO 137 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1s3n n GLY 138 N -0.26 -2.19 3.54 0.55 0.00 -1.26 -3.92 105.19 101.65 1s3n n GLY 138 Ca 0.03 -1.87 -0.41 0.00 0.00 0.00 0.00 46.02 43.77 1s3n n GLY 138 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1s3n s GLU 139 N -0.20 3.53 0.31 1.61 -1.05 -1.26 -4.11 118.70 117.53 1s3n s GLU 139 Ca 0.00 -0.51 0.01 0.00 -0.15 0.00 0.00 54.97 54.32 1s3n s GLU 139 Cb 0.00 -3.81 0.53 0.00 -0.44 0.00 0.00 34.13 30.41 1s3n s GLU 139 CO 0.00 -0.50 1.93 0.00 0.95 0.00 0.00 175.26 177.64 1s3n n GLY 142 N -0.37 0.41 0.18 0.00 0.00 -0.71 -4.83 105.19 99.87 1s3n n GLY 142 Ca -0.01 -0.10 -0.11 0.00 0.00 0.00 0.00 46.02 45.80 1s3n n GLY 142 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1s3n h TYR 143 N 0.00 0.58 0.17 1.61 0.05 -1.91 0.22 116.97 117.69 1s3n h TYR 143 Ca -0.03 -0.10 -0.34 0.00 0.05 0.00 0.00 58.73 58.31 1s3n h TYR 143 Cb 0.48 -0.15 0.01 0.00 1.01 0.00 0.00 36.73 38.07 1s3n h TYR 143 CO 0.28 0.66 -1.68 -0.07 -1.05 0.00 0.00 178.16 176.29 1s3n h LEU 144 N 0.34 0.55 0.00 3.88 3.38 -1.94 -3.37 115.31 118.16 1s3n h LEU 144 Ca 0.09 -0.81 0.00 0.00 0.09 0.00 0.00 57.88 57.25 1s3n h LEU 144 Cb 0.42 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.99 1s3n h LEU 144 CO 0.01 1.68 -1.19 0.35 0.09 0.00 0.00 178.44 179.39 1s3n n THR 145 N -3.55 0.08 -0.64 0.22 -2.24 -1.26 -4.95 114.28 101.94 1s3n n THR 145 Ca -0.22 -0.20 0.00 0.00 -2.27 0.00 0.00 64.05 61.35 1s3n n THR 145 Cb 1.07 0.42 0.00 0.00 -2.10 0.00 0.00 70.33 69.72 1s3n n THR 145 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1s3n n GLY 146 N 1.39 1.35 3.16 3.38 0.00 0.76 -4.97 105.19 110.26 1s3n n GLY 146 Ca 0.02 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.65 1s3n n GLY 146 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1s3n s ILE 147 N -3.27 3.90 -0.11 -0.61 1.09 -1.24 -4.95 121.20 116.01 1s3n s ILE 147 Ca 0.00 -2.16 -0.30 0.00 -1.10 0.00 0.00 60.65 57.09 1s3n s ILE 147 Cb 0.00 -3.58 -0.02 0.00 -1.06 0.00 0.00 42.46 37.80 1s3n s ILE 147 CO 0.00 -0.79 1.10 -2.16 -0.10 0.00 0.00 174.94 172.99 1s3n s PRO 148 N 0.92 4.36 0.20 2.79 0.04 -1.26 -4.57 135.00 137.48 1s3n s PRO 148 Ca 0.10 1.51 -0.01 0.00 0.04 0.00 0.00 61.00 62.64 1s3n s PRO 148 Cb -0.23 -3.58 -0.04 0.00 0.04 0.00 0.00 34.50 30.69 1s3n s PRO 148 CO -0.03 -0.43 0.11 0.95 0.04 0.00 0.00 177.00 177.64 1s3n s THR 149 N 2.34 0.14 0.21 1.26 -4.23 -0.99 -1.81 115.64 112.57 1s3n s THR 149 Ca 0.51 -1.98 -0.03 0.00 -1.18 0.00 0.00 61.69 59.00 1s3n s THR 149 Cb -0.20 -2.42 0.01 0.00 1.34 0.00 0.00 72.50 71.23 1s3n s THR 149 CO 0.18 -0.11 0.34 2.30 -0.54 0.00 0.00 174.62 176.79 1s3n n ILE 150 N -0.27 0.00 -3.48 2.99 -5.35 -0.91 -3.04 119.36 109.30 1s3n n ILE 150 Ca -0.00 -0.89 -0.13 0.00 -0.27 0.00 0.00 62.75 61.45 1s3n n ILE 150 Cb 0.65 0.62 -0.04 0.00 -1.74 0.00 0.00 39.64 39.14 1s3n n ILE 150 CO 0.00 0.00 0.00 -0.83 -1.76 0.00 0.00 176.55 173.96 1s3n s GLY 151 N -2.24 -0.55 -0.12 3.28 0.00 -0.58 -1.75 107.32 105.36 1s3n s GLY 151 Ca 0.15 0.96 0.02 0.00 0.00 0.00 0.00 44.72 45.85 1s3n s GLY 151 CO 0.10 0.51 -0.17 -0.42 0.00 0.00 0.00 173.10 173.12 1s3n s ILE 152 N -2.62 1.68 -0.18 0.90 1.01 -1.07 0.06 121.20 120.97 1s3n s ILE 152 Ca -0.02 -0.75 -0.08 0.00 0.00 0.00 0.00 60.65 59.80 1s3n s ILE 152 Cb -0.01 -1.51 -0.04 0.00 0.01 0.00 0.00 42.46 40.91 1s3n s ILE 152 CO -0.04 0.48 0.08 -0.22 0.00 0.00 0.00 174.94 175.24 1s3n s LEU 153 N 0.97 3.95 -0.56 2.97 2.96 0.20 -2.53 118.68 126.63 1s3n s LEU 153 Ca -0.06 0.14 -0.24 0.00 -0.22 0.00 0.00 54.13 53.75 1s3n s LEU 153 Cb -0.15 -2.00 0.04 0.00 0.50 0.00 0.00 46.19 44.58 1s3n s LEU 153 CO -0.02 0.19 0.96 -0.62 -1.32 0.00 0.00 176.35 175.53 1s3n s ASP 154 N 0.31 6.32 0.08 3.68 -1.08 0.74 -1.61 116.67 125.11 1s3n s ASP 154 Ca 0.05 -0.39 0.22 0.00 -0.52 0.00 0.00 52.55 51.91 1s3n s ASP 154 Cb -0.12 -2.44 0.91 0.00 -1.46 0.00 0.00 42.92 39.81 1s3n s ASP 154 CO -0.00 -1.27 1.70 0.35 0.52 0.00 0.00 175.17 176.47 1s3n n THR 155 N 6.19 0.60 -0.01 1.71 -2.24 -1.16 -1.15 114.28 118.22 1s3n n THR 155 Ca 0.01 0.09 -0.01 0.00 -2.27 0.00 0.00 64.05 61.87 1s3n n THR 155 Cb 0.47 -0.81 -0.00 0.00 -2.10 0.00 0.00 70.33 67.89 1s3n n THR 155 CO 0.00 0.00 0.00 -0.33 -0.57 0.00 0.00 175.07 174.17 1s3n h GLU 156 N 0.00 0.00 -0.02 -0.78 3.07 -1.91 -3.39 114.58 111.55 1s3n h GLU 156 Ca 0.00 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.86 1s3n h GLU 156 Cb 0.42 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.33 1s3n h GLU 156 CO 0.00 0.00 0.00 1.17 -1.40 0.00 0.00 179.01 178.78 1s3n n LYS 157 N -2.74 1.23 -3.68 2.33 4.81 -1.25 -4.90 118.16 113.96 1s3n n LYS 157 Ca -0.01 -0.34 -0.25 0.00 -0.87 0.00 0.00 58.31 56.83 1s3n n LYS 157 Cb 0.03 -1.44 0.07 0.00 0.02 0.00 0.00 35.03 33.71 1s3n n LYS 157 CO 0.00 0.00 0.00 1.17 1.17 0.00 0.00 177.40 179.74 1s3n n LYS 158 N -0.54 -7.22 -4.71 1.64 3.00 -0.30 -4.99 118.16 105.04 1s3n n LYS 158 Ca 0.20 0.76 -0.31 0.00 -0.00 0.00 0.00 58.31 58.96 1s3n n LYS 158 Cb 0.18 -5.77 -0.13 0.00 0.00 0.00 0.00 35.03 29.32 1s3n n LYS 158 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.40 176.19 1s3n s GLU 159 N -6.35 2.23 0.14 1.64 2.02 -0.80 -4.91 118.70 112.67 1s3n s GLU 159 Ca 0.57 -0.88 0.01 0.00 0.02 0.00 0.00 54.97 54.69 1s3n s GLU 159 Cb -0.26 -2.26 -0.04 0.00 0.10 0.00 0.00 34.13 31.66 1s3n s GLU 159 CO 0.76 0.57 0.01 -0.47 0.02 0.00 0.00 175.26 176.14 1s3n s TYR 160 N -0.88 1.03 -0.28 1.61 5.04 -1.26 0.26 117.35 122.87 1s3n s TYR 160 Ca 0.14 -1.07 -0.23 0.00 -2.44 0.00 0.00 57.07 53.46 1s3n s TYR 160 Cb -0.11 -0.59 0.12 0.00 0.35 0.00 0.00 41.96 41.73 1s3n s TYR 160 CO 0.04 -0.30 1.01 -0.98 -1.34 0.00 0.00 175.55 173.98 1s3n s ARG 161 N -3.94 0.50 0.70 4.97 1.04 -1.05 -5.00 118.95 116.16 1s3n s ARG 161 Ca 0.22 0.63 -0.12 0.00 -1.04 0.00 0.00 55.73 55.41 1s3n s ARG 161 Cb 0.07 0.22 0.02 0.00 -2.04 0.00 0.00 34.95 33.21 1s3n s ARG 161 CO 0.01 -0.07 1.08 -1.21 -0.04 0.00 0.00 175.30 175.08 1s3n s GLU 162 N 0.43 2.70 -0.09 3.89 2.02 -1.26 -2.59 118.70 123.79 1s3n s GLU 162 Ca 0.01 1.18 -0.03 0.00 0.02 0.00 0.00 54.97 56.15 1s3n s GLU 162 Cb -0.05 -1.95 0.04 0.00 0.10 0.00 0.00 34.13 32.28 1s3n s GLU 162 CO -0.08 -1.31 0.09 0.42 0.02 0.00 0.00 175.26 174.41 1s3n s ILE 163 N -2.73 -0.13 0.31 -1.63 1.01 -0.72 -4.94 121.20 112.38 1s3n s ILE 163 Ca 0.62 0.22 -0.15 0.00 0.00 0.00 0.00 60.65 61.35 1s3n s ILE 163 Cb -0.17 -0.31 -0.09 0.00 0.01 0.00 0.00 42.46 41.90 1s3n s ILE 163 CO 0.49 0.02 0.72 -0.69 0.00 0.00 0.00 174.94 175.49 1s3n s VAL 164 N 2.18 4.70 -1.99 2.92 1.01 -1.26 -2.15 120.40 125.81 1s3n s VAL 164 Ca 0.04 0.92 0.16 0.00 0.00 0.00 0.00 61.98 63.09 1s3n s VAL 164 Cb -0.13 -3.62 0.13 0.00 0.00 0.00 0.00 36.38 32.76 1s3n s VAL 164 CO -0.05 -0.17 1.00 0.18 0.00 0.00 0.00 175.10 176.06